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 3cmt_1_D 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 XXXXXXXMGL 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 2.810 123.011 120.200 0.003 0.000 2.199 38 E HA 0.782 5.164 4.350 0.054 0.000 0.269 38 E C -0.620 175.979 176.600 -0.001 0.000 0.899 38 E CA -0.270 56.130 56.400 0.001 0.000 0.772 38 E CB 2.398 32.098 29.700 -0.000 0.000 1.155 38 E HN 0.866 nan 8.360 nan 0.000 0.408 39 T N 1.154 115.706 114.554 -0.003 0.000 2.942 39 T HA 0.621 5.004 4.350 0.054 0.000 0.289 39 T C -0.214 174.479 174.700 -0.011 0.000 1.044 39 T CA -0.858 61.238 62.100 -0.006 0.000 1.023 39 T CB 1.096 69.962 68.868 -0.004 0.000 1.123 39 T HN 0.281 nan 8.240 nan 0.000 0.512 40 I N 1.743 122.304 120.570 -0.015 0.000 2.509 40 I HA 0.418 4.620 4.170 0.054 0.000 0.293 40 I C 0.724 176.825 176.117 -0.026 0.000 1.020 40 I CA -0.720 60.566 61.300 -0.023 0.000 1.088 40 I CB 1.816 39.801 38.000 -0.025 0.000 1.267 40 I HN 0.956 nan 8.210 nan 0.000 0.430 41 S N 2.808 118.486 115.700 -0.037 0.000 2.568 41 S HA 0.070 4.573 4.470 0.054 0.000 0.282 41 S C 1.336 175.905 174.600 -0.051 0.000 1.338 41 S CA 0.358 58.533 58.200 -0.042 0.000 1.045 41 S CB 0.438 63.597 63.200 -0.068 0.000 0.873 41 S HN 0.794 nan 8.310 nan 0.000 0.516 42 T N 1.377 115.903 114.554 -0.046 0.000 3.081 42 T HA 0.360 4.742 4.350 0.054 0.000 0.255 42 T C 1.519 176.163 174.700 -0.094 0.000 1.113 42 T CA 0.649 62.715 62.100 -0.056 0.000 1.082 42 T CB -0.301 68.540 68.868 -0.045 0.000 0.939 42 T HN 1.604 nan 8.240 nan 0.000 0.506 43 G N 0.834 109.569 108.800 -0.109 0.000 2.234 43 G HA2 -0.239 3.754 3.960 0.054 0.000 0.235 43 G HA3 -0.239 3.754 3.960 0.054 0.000 0.235 43 G C 0.243 175.088 174.900 -0.092 0.000 0.997 43 G CA 0.180 45.187 45.100 -0.155 0.000 0.623 43 G HN 1.043 nan 8.290 nan 0.000 0.514 44 S N 0.046 115.658 115.700 -0.147 0.000 2.437 44 S HA 0.630 5.132 4.470 0.054 0.000 0.305 44 S C 1.234 175.813 174.600 -0.035 0.000 1.109 44 S CA 0.106 58.174 58.200 -0.220 0.000 1.099 44 S CB 1.526 64.320 63.200 -0.676 0.000 1.004 44 S HN 1.038 nan 8.310 nan 0.000 0.475 45 L N 5.827 127.021 121.223 -0.049 0.000 2.027 45 L HA 0.034 4.406 4.340 0.054 0.000 0.206 45 L C 2.551 179.382 176.870 -0.065 0.000 1.074 45 L CA 2.666 57.457 54.840 -0.082 0.000 0.745 45 L CB -0.987 40.813 42.059 -0.432 0.000 0.898 45 L HN 0.894 nan 8.230 nan 0.000 0.433 46 S N -1.061 114.600 115.700 -0.066 0.000 2.423 46 S HA -0.186 4.316 4.470 0.054 0.000 0.231 46 S C 2.092 176.721 174.600 0.048 0.000 1.014 46 S CA 1.310 59.515 58.200 0.008 0.000 0.965 46 S CB -0.948 62.286 63.200 0.057 0.000 0.785 46 S HN 0.513 nan 8.310 nan 0.000 0.495 47 L N 1.389 122.642 121.223 0.050 0.000 2.044 47 L HA -0.093 4.279 4.340 0.054 0.000 0.205 47 L C 1.978 178.864 176.870 0.026 0.000 1.075 47 L CA 1.903 56.779 54.840 0.062 0.000 0.747 47 L CB -0.613 41.479 42.059 0.054 0.000 0.903 47 L HN 0.234 nan 8.230 nan 0.000 0.435 48 D N 0.147 120.553 120.400 0.011 0.000 2.182 48 D HA -0.208 4.464 4.640 0.054 0.000 0.201 48 D C 2.131 178.439 176.300 0.013 0.000 0.986 48 D CA 1.395 55.403 54.000 0.012 0.000 0.847 48 D CB -0.065 40.748 40.800 0.022 0.000 0.942 48 D HN 0.399 nan 8.370 nan 0.000 0.467 49 I N 0.937 121.514 120.570 0.013 0.000 2.233 49 I HA -0.189 4.013 4.170 0.054 0.000 0.243 49 I C 2.511 178.638 176.117 0.017 0.000 1.093 49 I CA 0.910 62.218 61.300 0.013 0.000 1.380 49 I CB -0.238 37.767 38.000 0.009 0.000 1.067 49 I HN -0.097 nan 8.210 nan 0.000 0.413 50 A N 0.820 123.654 122.820 0.024 0.000 1.940 50 A HA -0.183 4.169 4.320 0.054 0.000 0.219 50 A C 2.262 179.852 177.584 0.010 0.000 1.176 50 A CA 1.527 53.579 52.037 0.025 0.000 0.631 50 A CB -0.971 18.052 19.000 0.038 0.000 0.814 50 A HN 0.423 nan 8.150 nan 0.000 0.446 51 L N -1.552 119.676 121.223 0.007 0.000 2.456 51 L HA 0.023 4.396 4.340 0.054 0.000 0.224 51 L C 2.159 179.025 176.870 -0.006 0.000 1.148 51 L CA 0.660 55.497 54.840 -0.005 0.000 0.825 51 L CB -0.350 41.708 42.059 -0.003 0.000 0.937 51 L HN 0.659 nan 8.230 nan 0.000 0.450 52 G N -0.230 108.571 108.800 0.002 0.000 2.990 52 G HA2 -0.440 3.553 3.960 0.054 0.000 0.225 52 G HA3 -0.440 3.553 3.960 0.054 0.000 0.225 52 G C 1.035 175.938 174.900 0.004 0.000 1.304 52 G CA 0.459 45.561 45.100 0.003 0.000 0.816 52 G HN 0.464 nan 8.290 nan 0.000 0.528 53 A N 0.615 123.436 122.820 0.001 0.000 2.275 53 A HA 0.581 4.934 4.320 0.054 0.000 0.212 53 A C 2.432 180.019 177.584 0.004 0.000 1.201 53 A CA 1.761 53.800 52.037 0.003 0.000 0.843 53 A CB -0.523 18.477 19.000 0.000 0.000 0.873 53 A HN 2.628 nan 8.150 nan 0.000 0.492 54 G N -2.630 106.173 108.800 0.006 0.000 2.141 54 G HA2 0.287 4.279 3.960 0.054 0.000 0.242 54 G HA3 0.287 4.279 3.960 0.054 0.000 0.242 54 G C 0.864 175.767 174.900 0.005 0.000 0.982 54 G CA 0.327 45.432 45.100 0.009 0.000 0.662 54 G HN 2.199 nan 8.290 nan 0.000 0.527 55 G N -1.586 107.215 108.800 0.001 0.000 2.341 55 G HA2 0.503 4.495 3.960 0.054 0.000 0.293 55 G HA3 0.503 4.495 3.960 0.054 0.000 0.293 55 G C -0.669 174.227 174.900 -0.006 0.000 1.298 55 G CA -0.495 44.602 45.100 -0.005 0.000 0.868 55 G HN 0.893 nan 8.290 nan 0.000 0.540 56 L N 1.785 123.003 121.223 -0.008 0.000 2.397 56 L HA 0.419 4.791 4.340 0.054 0.000 0.271 56 L C -1.784 175.083 176.870 -0.004 0.000 1.148 56 L CA -1.585 53.252 54.840 -0.005 0.000 0.825 56 L CB 1.257 43.312 42.059 -0.007 0.000 1.117 56 L HN 0.315 nan 8.230 nan 0.000 0.456 57 P HA 0.199 nan 4.420 nan 0.000 0.290 57 P C -0.801 176.502 177.300 0.004 0.000 1.276 57 P CA -0.601 62.501 63.100 0.003 0.000 0.808 57 P CB 0.977 32.681 31.700 0.007 0.000 0.966 58 M N 1.774 121.375 119.600 0.001 0.000 2.238 58 M HA 0.245 4.757 4.480 0.054 0.000 0.347 58 M C 1.567 177.871 176.300 0.007 0.000 1.173 58 M CA 0.727 56.027 55.300 0.000 0.000 1.147 58 M CB -0.574 32.025 32.600 -0.003 0.000 1.547 58 M HN 0.845 nan 8.290 nan 0.000 0.455 59 G N 2.415 111.219 108.800 0.007 0.000 2.162 59 G HA2 -0.204 3.789 3.960 0.054 0.000 0.260 59 G HA3 -0.204 3.789 3.960 0.054 0.000 0.260 59 G C 0.181 175.099 174.900 0.030 0.000 0.976 59 G CA -0.055 45.055 45.100 0.016 0.000 0.655 59 G HN 0.547 nan 8.290 nan 0.000 0.533 60 R N -0.688 119.831 120.500 0.031 0.000 2.902 60 R HA 0.774 5.146 4.340 0.054 0.000 0.258 60 R C 0.194 176.532 176.300 0.063 0.000 1.071 60 R CA -1.172 54.959 56.100 0.052 0.000 1.024 60 R CB 0.829 31.155 30.300 0.044 0.000 1.184 60 R HN 0.218 nan 8.270 nan 0.000 0.492 61 I N 0.713 121.347 120.570 0.106 0.000 2.392 61 I HA 0.359 4.561 4.170 0.054 0.000 0.295 61 I C -0.255 175.944 176.117 0.136 0.000 0.985 61 I CA -0.823 60.566 61.300 0.148 0.000 1.221 61 I CB 1.755 39.901 38.000 0.242 0.000 1.366 61 I HN -0.030 nan 8.210 nan 0.000 0.467 62 V N 5.337 125.331 119.914 0.135 0.000 2.789 62 V HA 0.392 4.544 4.120 0.054 0.000 0.311 62 V C -0.504 175.687 176.094 0.162 0.000 1.073 62 V CA -0.653 61.712 62.300 0.108 0.000 0.921 62 V CB 2.126 33.978 31.823 0.049 0.000 1.009 62 V HN 0.740 nan 8.190 nan 0.000 0.426 63 E N 3.738 124.024 120.200 0.143 0.000 2.210 63 E HA 0.653 5.035 4.350 0.054 0.000 0.266 63 E C -1.652 175.011 176.600 0.106 0.000 0.883 63 E CA -0.635 55.869 56.400 0.172 0.000 0.761 63 E CB 1.798 31.611 29.700 0.189 0.000 1.156 63 E HN 0.635 nan 8.360 nan 0.000 0.412 64 I N 5.385 126.016 120.570 0.102 0.000 2.389 64 I HA 0.329 4.531 4.170 0.054 0.000 0.288 64 I C -0.881 175.296 176.117 0.099 0.000 0.999 64 I CA -0.910 60.406 61.300 0.026 0.000 1.129 64 I CB 0.786 38.808 38.000 0.036 0.000 1.288 64 I HN 0.469 nan 8.210 nan 0.000 0.444 65 Y N 4.117 124.454 120.300 0.061 0.000 2.602 65 Y HA 1.017 5.600 4.550 0.054 0.000 0.342 65 Y C -0.101 175.851 175.900 0.087 0.000 1.029 65 Y CA -1.356 56.780 58.100 0.059 0.000 1.080 65 Y CB 1.800 40.278 38.460 0.030 0.000 1.284 65 Y HN 0.679 nan 8.280 nan 0.000 0.485 66 G N 0.381 109.407 108.800 0.377 0.000 2.316 66 G HA2 0.442 4.434 3.960 0.054 0.000 0.296 66 G HA3 0.442 4.434 3.960 0.054 0.000 0.296 66 G C -3.562 171.568 174.900 0.383 0.000 1.399 66 G CA -1.313 43.969 45.100 0.304 0.000 0.833 66 G HN 0.506 nan 8.290 nan 0.000 0.565 67 P HA 0.319 nan 4.420 nan 0.000 0.274 67 P C -0.288 177.016 177.300 0.006 0.000 1.260 67 P CA -0.315 62.898 63.100 0.188 0.000 0.793 67 P CB 0.266 32.005 31.700 0.066 0.000 1.048 68 E N -0.605 119.256 120.200 -0.566 0.000 2.442 68 E HA 0.158 4.541 4.350 0.054 0.000 0.262 68 E C 0.118 176.632 176.600 -0.144 0.000 1.004 68 E CA -0.101 55.989 56.400 -0.517 0.000 0.928 68 E CB -0.713 28.537 29.700 -0.750 0.000 0.937 68 E HN 0.278 nan 8.360 nan 0.000 0.446 69 S N 0.553 116.226 115.700 -0.045 0.000 3.533 69 S HA -0.227 4.275 4.470 0.054 0.000 0.347 69 S C 0.979 175.625 174.600 0.076 0.000 1.101 69 S CA 0.978 59.185 58.200 0.012 0.000 1.009 69 S CB -1.752 61.429 63.200 -0.032 0.000 0.916 69 S HN 0.729 nan 8.310 nan 0.000 0.496 70 S N -0.328 115.426 115.700 0.090 0.000 2.478 70 S HA 0.429 4.931 4.470 0.054 0.000 0.222 70 S C 1.547 176.221 174.600 0.125 0.000 1.008 70 S CA 0.811 59.072 58.200 0.102 0.000 0.928 70 S CB 0.488 63.747 63.200 0.099 0.000 0.781 70 S HN 1.932 nan 8.310 nan 0.000 0.518 71 G N 1.123 110.012 108.800 0.147 0.000 2.155 71 G HA2 -0.157 3.835 3.960 0.054 0.000 0.130 71 G HA3 -0.157 3.835 3.960 0.054 0.000 0.130 71 G C 0.594 175.598 174.900 0.174 0.000 1.027 71 G CA 0.076 45.285 45.100 0.181 0.000 0.705 71 G HN 0.419 nan 8.290 nan 0.000 0.496 72 K N 0.026 120.520 120.400 0.157 0.000 1.985 72 K HA -0.068 4.285 4.320 0.054 0.000 0.210 72 K C 2.568 179.262 176.600 0.156 0.000 1.047 72 K CA 2.019 58.393 56.287 0.146 0.000 0.932 72 K CB -0.388 32.199 32.500 0.146 0.000 0.716 72 K HN 0.298 nan 8.250 nan 0.000 0.439 73 T N 0.856 115.515 114.554 0.175 0.000 2.674 73 T HA -0.145 4.238 4.350 0.054 0.000 0.265 73 T C 2.047 176.865 174.700 0.196 0.000 1.039 73 T CA 1.876 64.105 62.100 0.214 0.000 1.150 73 T CB -0.560 68.437 68.868 0.216 0.000 0.864 73 T HN 0.260 nan 8.240 nan 0.000 0.427 74 T N 2.372 117.046 114.554 0.199 0.000 2.624 74 T HA -0.112 4.270 4.350 0.054 0.000 0.268 74 T C 1.932 176.710 174.700 0.130 0.000 1.041 74 T CA 1.377 63.593 62.100 0.193 0.000 1.159 74 T CB -0.638 68.382 68.868 0.252 0.000 0.863 74 T HN 0.202 nan 8.240 nan 0.000 0.434 75 L N 0.285 121.592 121.223 0.140 0.000 1.989 75 L HA -0.173 4.200 4.340 0.054 0.000 0.211 75 L C 2.714 179.625 176.870 0.068 0.000 1.071 75 L CA 1.778 56.676 54.840 0.097 0.000 0.749 75 L CB -0.877 41.260 42.059 0.131 0.000 0.890 75 L HN 0.244 nan 8.230 nan 0.000 0.431 76 T N 0.154 114.768 114.554 0.100 0.000 2.620 76 T HA -0.293 4.090 4.350 0.054 0.000 0.267 76 T C 1.804 176.567 174.700 0.105 0.000 1.044 76 T CA 2.321 64.487 62.100 0.109 0.000 1.161 76 T CB -0.409 68.561 68.868 0.170 0.000 0.862 76 T HN 0.308 nan 8.240 nan 0.000 0.438 77 L N 0.719 122.007 121.223 0.107 0.000 2.083 77 L HA -0.130 4.242 4.340 0.054 0.000 0.209 77 L C 3.030 179.891 176.870 -0.015 0.000 1.083 77 L CA 1.097 55.959 54.840 0.037 0.000 0.752 77 L CB -0.553 41.495 42.059 -0.018 0.000 0.899 77 L HN 0.250 nan 8.230 nan 0.000 0.433 78 Q N -0.308 119.479 119.800 -0.022 0.000 2.084 78 Q HA -0.195 4.177 4.340 0.054 0.000 0.202 78 Q C 2.472 178.431 176.000 -0.068 0.000 0.978 78 Q CA 2.000 57.765 55.803 -0.064 0.000 0.844 78 Q CB -0.712 27.981 28.738 -0.075 0.000 0.898 78 Q HN 0.581 nan 8.270 nan 0.000 0.426 79 V N -0.689 119.202 119.914 -0.040 0.000 2.358 79 V HA -0.203 3.949 4.120 0.054 0.000 0.246 79 V C 2.119 178.192 176.094 -0.036 0.000 1.047 79 V CA 1.244 63.519 62.300 -0.042 0.000 1.035 79 V CB -0.545 31.263 31.823 -0.025 0.000 0.658 79 V HN 0.225 nan 8.190 nan 0.000 0.452 80 I N 1.152 121.714 120.570 -0.013 0.000 2.127 80 I HA -0.208 3.994 4.170 0.054 0.000 0.241 80 I C 3.014 179.108 176.117 -0.038 0.000 1.075 80 I CA 1.910 63.204 61.300 -0.010 0.000 1.334 80 I CB -0.847 37.169 38.000 0.026 0.000 1.040 80 I HN 0.436 nan 8.210 nan 0.000 0.405 81 A N 0.767 123.554 122.820 -0.056 0.000 1.892 81 A HA -0.279 4.073 4.320 0.054 0.000 0.218 81 A C 2.531 180.062 177.584 -0.088 0.000 1.188 81 A CA 2.349 54.339 52.037 -0.078 0.000 0.631 81 A CB -1.052 17.889 19.000 -0.098 0.000 0.822 81 A HN 0.476 nan 8.150 nan 0.000 0.447 82 A N -0.439 122.320 122.820 -0.102 0.000 1.902 82 A HA 0.157 4.509 4.320 0.054 0.000 0.217 82 A C 2.518 180.051 177.584 -0.085 0.000 1.181 82 A CA 2.217 54.184 52.037 -0.117 0.000 0.623 82 A CB -1.023 17.896 19.000 -0.135 0.000 0.818 82 A HN 1.136 nan 8.150 nan 0.000 0.443 83 A N -0.811 121.971 122.820 -0.064 0.000 1.898 83 A HA -0.196 4.156 4.320 0.054 0.000 0.216 83 A C 2.125 179.682 177.584 -0.044 0.000 1.181 83 A CA 1.602 53.610 52.037 -0.048 0.000 0.620 83 A CB -0.544 18.434 19.000 -0.036 0.000 0.819 83 A HN 0.649 nan 8.150 nan 0.000 0.442 84 Q N -1.206 118.567 119.800 -0.045 0.000 2.119 84 Q HA -0.152 4.220 4.340 0.054 0.000 0.201 84 Q C 2.234 178.206 176.000 -0.046 0.000 0.972 84 Q CA 1.364 57.143 55.803 -0.041 0.000 0.847 84 Q CB -0.141 28.573 28.738 -0.041 0.000 0.903 84 Q HN 0.543 nan 8.270 nan 0.000 0.433 85 R N 1.092 121.557 120.500 -0.059 0.000 2.249 85 R HA -0.130 4.242 4.340 0.054 0.000 0.230 85 R C 0.444 176.712 176.300 -0.054 0.000 1.121 85 R CA 1.071 57.133 56.100 -0.063 0.000 0.997 85 R CB 0.197 30.446 30.300 -0.086 0.000 0.867 85 R HN 0.251 nan 8.270 nan 0.000 0.465 86 E N -1.665 118.506 120.200 -0.048 0.000 2.685 86 E HA 0.198 4.580 4.350 0.054 0.000 0.208 86 E C 0.146 176.727 176.600 -0.030 0.000 0.996 86 E CA 0.269 56.646 56.400 -0.039 0.000 1.054 86 E CB 1.124 30.799 29.700 -0.040 0.000 1.075 86 E HN 0.391 nan 8.360 nan 0.000 0.460 87 G N 2.245 111.027 108.800 -0.029 0.000 2.160 87 G HA2 -0.325 3.667 3.960 0.054 0.000 0.251 87 G HA3 -0.325 3.667 3.960 0.054 0.000 0.251 87 G C 0.075 174.962 174.900 -0.021 0.000 1.008 87 G CA 0.306 45.392 45.100 -0.023 0.000 0.724 87 G HN 0.158 nan 8.290 nan 0.000 0.514 88 K N 0.418 120.804 120.400 -0.023 0.000 2.118 88 K HA 0.507 4.859 4.320 0.054 0.000 0.267 88 K C 0.131 176.720 176.600 -0.018 0.000 0.991 88 K CA -0.286 55.989 56.287 -0.020 0.000 0.916 88 K CB 1.002 33.489 32.500 -0.022 0.000 1.041 88 K HN 0.116 nan 8.250 nan 0.000 0.455 89 T N 1.707 116.253 114.554 -0.014 0.000 2.806 89 T HA 0.292 4.675 4.350 0.054 0.000 0.290 89 T C -0.279 174.415 174.700 -0.009 0.000 0.966 89 T CA -0.513 61.580 62.100 -0.011 0.000 1.060 89 T CB 0.268 69.132 68.868 -0.008 0.000 0.927 89 T HN 0.531 nan 8.240 nan 0.000 0.485 90 C N 2.388 121.686 119.300 -0.003 0.000 2.634 90 C HA 0.948 5.440 4.460 0.054 0.000 0.313 90 C C 0.355 175.356 174.990 0.019 0.000 1.198 90 C CA -0.988 58.033 59.018 0.004 0.000 1.605 90 C CB 0.901 28.649 27.740 0.013 0.000 2.196 90 C HN 1.052 nan 8.230 nan 0.000 0.486 91 A N 1.400 124.231 122.820 0.018 0.000 2.386 91 A HA 0.870 5.222 4.320 0.054 0.000 0.311 91 A C -1.414 176.209 177.584 0.065 0.000 1.068 91 A CA -0.269 51.787 52.037 0.032 0.000 0.743 91 A CB 0.978 19.972 19.000 -0.011 0.000 1.258 91 A HN 0.833 nan 8.150 nan 0.000 0.429 92 F N 3.385 123.299 119.950 -0.061 0.000 2.460 92 F HA 0.564 5.123 4.527 0.054 0.000 0.341 92 F C -0.731 175.024 175.800 -0.076 0.000 1.130 92 F CA -0.866 57.093 58.000 -0.067 0.000 0.962 92 F CB 1.300 40.270 39.000 -0.051 0.000 1.171 92 F HN 0.377 nan 8.300 nan 0.000 0.436 93 I N 4.886 125.237 120.570 -0.366 0.000 2.307 93 I HA 0.130 4.332 4.170 0.054 0.000 0.287 93 I C -0.225 175.726 176.117 -0.277 0.000 1.054 93 I CA -0.343 60.817 61.300 -0.235 0.000 1.218 93 I CB 0.584 38.444 38.000 -0.232 0.000 1.398 93 I HN 0.513 nan 8.210 nan 0.000 0.475 94 D N 5.343 125.726 120.400 -0.028 0.000 2.631 94 D HA 0.361 5.033 4.640 0.054 0.000 0.227 94 D C 1.240 177.436 176.300 -0.172 0.000 1.146 94 D CA -0.086 53.944 54.000 0.050 0.000 1.009 94 D CB 0.832 41.762 40.800 0.217 0.000 1.057 94 D HN 0.596 nan 8.370 nan 0.000 0.509 95 A N 2.323 125.073 122.820 -0.117 0.000 2.066 95 A HA -0.101 4.251 4.320 0.054 0.000 0.218 95 A C 1.903 179.568 177.584 0.135 0.000 1.157 95 A CA 0.733 52.746 52.037 -0.040 0.000 0.670 95 A CB -0.202 18.804 19.000 0.010 0.000 0.804 95 A HN 0.524 nan 8.150 nan 0.000 0.453 96 E N -1.118 119.134 120.200 0.086 0.000 2.435 96 E HA -0.074 4.308 4.350 0.054 0.000 0.195 96 E C -0.496 176.263 176.600 0.265 0.000 1.029 96 E CA 0.008 56.492 56.400 0.140 0.000 0.865 96 E CB -0.113 29.600 29.700 0.022 0.000 0.833 96 E HN 0.683 nan 8.360 nan 0.000 0.510 97 H N -1.982 117.154 119.070 0.111 0.000 2.756 97 H HA -0.205 4.383 4.556 0.054 0.000 0.315 97 H C 0.004 175.388 175.328 0.093 0.000 1.210 97 H CA 0.619 56.729 56.048 0.104 0.000 1.150 97 H CB -1.385 28.439 29.762 0.103 0.000 1.463 97 H HN 0.267 nan 8.280 nan 0.000 0.427 98 A N 0.297 123.207 122.820 0.149 0.000 2.704 98 A HA 0.221 4.573 4.320 0.054 0.000 0.260 98 A C 0.450 178.070 177.584 0.061 0.000 1.144 98 A CA -0.378 51.722 52.037 0.105 0.000 0.985 98 A CB 0.734 19.791 19.000 0.096 0.000 1.256 98 A HN 0.139 nan 8.150 nan 0.000 0.598 99 L N 1.417 122.670 121.223 0.050 0.000 2.462 99 L HA 0.406 4.778 4.340 0.054 0.000 0.272 99 L C -0.538 176.313 176.870 -0.032 0.000 1.166 99 L CA 0.236 55.056 54.840 -0.034 0.000 0.880 99 L CB 0.511 42.475 42.059 -0.159 0.000 1.142 99 L HN 0.219 nan 8.230 nan 0.000 0.473 100 D N 7.284 127.673 120.400 -0.018 0.000 2.412 100 D HA 0.323 4.995 4.640 0.054 0.000 0.224 100 D C -1.807 174.498 176.300 0.009 0.000 1.093 100 D CA -2.242 51.764 54.000 0.010 0.000 0.850 100 D CB 1.529 42.348 40.800 0.031 0.000 1.046 100 D HN 0.350 nan 8.370 nan 0.000 0.507 101 P HA -0.165 nan 4.420 nan 0.000 0.215 101 P C 1.654 178.945 177.300 -0.015 0.000 1.153 101 P CA 0.676 63.751 63.100 -0.042 0.000 0.853 101 P CB 0.525 32.205 31.700 -0.033 0.000 0.788 102 I N -1.753 118.827 120.570 0.018 0.000 2.286 102 I HA -0.236 3.966 4.170 0.054 0.000 0.248 102 I C 2.666 178.821 176.117 0.063 0.000 1.115 102 I CA 1.391 62.710 61.300 0.031 0.000 1.392 102 I CB -1.084 36.940 38.000 0.040 0.000 1.065 102 I HN -0.136 nan 8.210 nan 0.000 0.418 103 Y N 1.017 121.294 120.300 -0.039 0.000 2.263 103 Y HA -0.136 4.447 4.550 0.054 0.000 0.292 103 Y C 2.440 178.314 175.900 -0.042 0.000 1.130 103 Y CA 1.091 59.173 58.100 -0.030 0.000 1.179 103 Y CB -0.484 37.960 38.460 -0.028 0.000 0.998 103 Y HN 0.123 nan 8.280 nan 0.000 0.532 104 A N 0.788 123.571 122.820 -0.063 0.000 1.908 104 A HA -0.233 4.119 4.320 0.054 0.000 0.218 104 A C 2.433 179.914 177.584 -0.170 0.000 1.181 104 A CA 1.855 53.796 52.037 -0.160 0.000 0.627 104 A CB -0.785 18.122 19.000 -0.155 0.000 0.818 104 A HN 0.473 nan 8.150 nan 0.000 0.445 105 R N -0.130 120.299 120.500 -0.118 0.000 2.081 105 R HA -0.133 4.239 4.340 0.054 0.000 0.235 105 R C 2.085 178.312 176.300 -0.122 0.000 1.131 105 R CA 1.876 57.917 56.100 -0.099 0.000 0.960 105 R CB -0.311 29.954 30.300 -0.059 0.000 0.856 105 R HN 0.547 nan 8.270 nan 0.000 0.436 106 K N 0.264 120.573 120.400 -0.150 0.000 2.152 106 K HA -0.091 4.261 4.320 0.054 0.000 0.206 106 K C 1.874 178.341 176.600 -0.221 0.000 1.048 106 K CA 1.167 57.355 56.287 -0.166 0.000 0.933 106 K CB -0.065 32.336 32.500 -0.165 0.000 0.721 106 K HN 0.233 nan 8.250 nan 0.000 0.447 107 L N -0.461 120.571 121.223 -0.318 0.000 2.610 107 L HA 0.062 4.435 4.340 0.054 0.000 0.232 107 L C 0.992 177.763 176.870 -0.165 0.000 1.149 107 L CA 0.472 55.154 54.840 -0.263 0.000 0.872 107 L CB -0.132 41.737 42.059 -0.317 0.000 0.992 107 L HN 0.464 nan 8.230 nan 0.000 0.447 108 G N 0.082 108.798 108.800 -0.140 0.000 2.131 108 G HA2 -0.224 3.769 3.960 0.054 0.000 0.223 108 G HA3 -0.224 3.769 3.960 0.054 0.000 0.223 108 G C 0.102 174.943 174.900 -0.098 0.000 0.990 108 G CA -0.145 44.892 45.100 -0.106 0.000 0.671 108 G HN 0.087 nan 8.290 nan 0.000 0.521 109 V N 1.110 120.961 119.914 -0.105 0.000 2.530 109 V HA 0.369 4.521 4.120 0.054 0.000 0.282 109 V C 0.670 176.720 176.094 -0.074 0.000 1.048 109 V CA -0.117 62.130 62.300 -0.089 0.000 0.997 109 V CB 1.683 33.444 31.823 -0.103 0.000 0.987 109 V HN 0.376 nan 8.190 nan 0.000 0.477 110 D N 4.647 125.011 120.400 -0.059 0.000 2.383 110 D HA 0.085 4.758 4.640 0.054 0.000 0.245 110 D C 1.073 177.346 176.300 -0.045 0.000 1.263 110 D CA -0.262 53.709 54.000 -0.048 0.000 0.936 110 D CB 0.477 41.253 40.800 -0.039 0.000 1.053 110 D HN 0.283 nan 8.370 nan 0.000 0.507 111 I N 2.658 123.200 120.570 -0.048 0.000 2.226 111 I HA -0.212 3.990 4.170 0.054 0.000 0.245 111 I C 1.479 177.577 176.117 -0.032 0.000 1.100 111 I CA 0.986 62.258 61.300 -0.047 0.000 1.374 111 I CB -0.641 37.331 38.000 -0.046 0.000 1.057 111 I HN 0.404 nan 8.210 nan 0.000 0.413 112 D N 0.676 121.060 120.400 -0.026 0.000 2.310 112 D HA -0.108 4.565 4.640 0.054 0.000 0.212 112 D C 1.449 177.741 176.300 -0.014 0.000 0.965 112 D CA 0.756 54.746 54.000 -0.018 0.000 0.879 112 D CB -0.083 40.707 40.800 -0.016 0.000 0.921 112 D HN 0.399 nan 8.370 nan 0.000 0.510 113 N N -0.110 118.580 118.700 -0.017 0.000 2.181 113 N HA 0.024 4.796 4.740 0.054 0.000 0.207 113 N C 0.300 175.805 175.510 -0.009 0.000 1.182 113 N CA -0.210 52.832 53.050 -0.012 0.000 0.893 113 N CB 1.322 39.800 38.487 -0.015 0.000 1.032 113 N HN 0.151 nan 8.380 nan 0.000 0.513 114 L N 2.868 124.084 121.223 -0.012 0.000 2.407 114 L HA 0.252 4.624 4.340 0.054 0.000 0.282 114 L C -0.201 176.676 176.870 0.011 0.000 1.110 114 L CA -0.035 54.804 54.840 -0.002 0.000 0.863 114 L CB -0.101 41.946 42.059 -0.020 0.000 1.207 114 L HN -0.005 nan 8.230 nan 0.000 0.454 115 L N 5.367 126.604 121.223 0.022 0.000 2.490 115 L HA 0.066 4.439 4.340 0.054 0.000 0.274 115 L C 0.115 177.018 176.870 0.055 0.000 1.201 115 L CA 0.322 55.179 54.840 0.028 0.000 0.869 115 L CB 0.844 42.916 42.059 0.021 0.000 1.123 115 L HN 0.710 nan 8.230 nan 0.000 0.484 116 C N 3.119 122.448 119.300 0.049 0.000 2.701 116 C HA 0.654 5.146 4.460 0.054 0.000 0.336 116 C C -0.352 174.666 174.990 0.047 0.000 1.123 116 C CA -0.440 58.623 59.018 0.076 0.000 1.326 116 C CB 1.517 29.290 27.740 0.055 0.000 1.833 116 C HN 0.812 nan 8.230 nan 0.000 0.473 117 S N 3.775 119.500 115.700 0.043 0.000 2.536 117 S HA 0.612 5.115 4.470 0.054 0.000 0.287 117 S C -1.266 173.311 174.600 -0.037 0.000 1.101 117 S CA -0.282 57.917 58.200 -0.001 0.000 0.950 117 S CB 1.530 64.714 63.200 -0.028 0.000 1.056 117 S HN 0.850 nan 8.310 nan 0.000 0.481 118 Q N 4.145 123.911 119.800 -0.056 0.000 2.571 118 Q HA 0.337 4.709 4.340 0.054 0.000 0.243 118 Q C -2.409 173.561 176.000 -0.051 0.000 1.055 118 Q CA -1.875 53.831 55.803 -0.163 0.000 0.815 118 Q CB 1.527 30.166 28.738 -0.165 0.000 1.151 118 Q HN 0.532 nan 8.270 nan 0.000 0.519 119 P HA 0.061 nan 4.420 nan 0.000 0.274 119 P C -0.285 177.064 177.300 0.082 0.000 1.237 119 P CA -0.144 62.939 63.100 -0.029 0.000 0.793 119 P CB 1.501 33.144 31.700 -0.095 0.000 0.977 120 D N -0.272 120.153 120.400 0.041 0.000 2.146 120 D HA -0.025 4.647 4.640 0.054 0.000 0.209 120 D C 0.991 177.319 176.300 0.047 0.000 0.973 120 D CA 1.582 55.623 54.000 0.068 0.000 0.860 120 D CB -0.415 40.415 40.800 0.050 0.000 1.015 120 D HN 0.516 nan 8.370 nan 0.000 0.465 121 T N -2.781 111.774 114.554 0.001 0.000 2.952 121 T HA 0.529 4.911 4.350 0.054 0.000 0.286 121 T C 1.389 176.074 174.700 -0.025 0.000 1.024 121 T CA -0.362 61.735 62.100 -0.005 0.000 1.029 121 T CB 1.903 70.765 68.868 -0.010 0.000 1.094 121 T HN -0.003 nan 8.240 nan 0.000 0.515 122 G N 0.253 109.046 108.800 -0.013 0.000 2.408 122 G HA2 -0.107 3.885 3.960 0.054 0.000 0.217 122 G HA3 -0.107 3.885 3.960 0.054 0.000 0.217 122 G C 1.162 176.040 174.900 -0.037 0.000 1.150 122 G CA 0.568 45.659 45.100 -0.016 0.000 0.776 122 G HN 0.791 nan 8.290 nan 0.000 0.542 123 E N 0.022 120.199 120.200 -0.038 0.000 2.058 123 E HA -0.142 4.240 4.350 0.054 0.000 0.194 123 E C 2.422 178.967 176.600 -0.091 0.000 0.997 123 E CA 1.271 57.649 56.400 -0.037 0.000 0.801 123 E CB -0.257 29.439 29.700 -0.007 0.000 0.746 123 E HN 0.606 nan 8.360 nan 0.000 0.450 124 Q N 0.119 119.815 119.800 -0.173 0.000 2.061 124 Q HA -0.236 4.136 4.340 0.054 0.000 0.204 124 Q C 2.160 177.929 176.000 -0.386 0.000 0.984 124 Q CA 1.725 57.250 55.803 -0.462 0.000 0.846 124 Q CB -0.231 28.211 28.738 -0.493 0.000 0.902 124 Q HN 0.311 nan 8.270 nan 0.000 0.421 125 A N 0.694 123.387 122.820 -0.212 0.000 1.892 125 A HA -0.205 4.147 4.320 0.054 0.000 0.218 125 A C 2.031 179.551 177.584 -0.108 0.000 1.188 125 A CA 1.685 53.635 52.037 -0.145 0.000 0.631 125 A CB -0.754 18.200 19.000 -0.076 0.000 0.822 125 A HN 0.465 nan 8.150 nan 0.000 0.447 126 L N -1.227 119.956 121.223 -0.066 0.000 2.179 126 L HA -0.052 4.320 4.340 0.054 0.000 0.208 126 L C 2.525 179.381 176.870 -0.023 0.000 1.096 126 L CA 0.755 55.585 54.840 -0.016 0.000 0.779 126 L CB -0.417 41.651 42.059 0.015 0.000 0.922 126 L HN 0.263 nan 8.230 nan 0.000 0.443 127 E N 0.534 120.708 120.200 -0.043 0.000 2.150 127 E HA -0.156 4.227 4.350 0.054 0.000 0.193 127 E C 2.281 178.896 176.600 0.025 0.000 0.985 127 E CA 1.169 57.581 56.400 0.021 0.000 0.814 127 E CB -0.041 29.724 29.700 0.109 0.000 0.752 127 E HN 0.504 nan 8.360 nan 0.000 0.466 128 I N 0.133 120.660 120.570 -0.071 0.000 2.202 128 I HA -0.316 3.886 4.170 0.054 0.000 0.242 128 I C 2.521 178.623 176.117 -0.025 0.000 1.091 128 I CA 0.660 61.937 61.300 -0.039 0.000 1.368 128 I CB -0.245 37.689 38.000 -0.110 0.000 1.058 128 I HN 0.123 nan 8.210 nan 0.000 0.410 129 C N 0.426 119.697 119.300 -0.050 0.000 2.398 129 C HA -0.234 4.258 4.460 0.054 0.000 0.276 129 C C 2.586 177.563 174.990 -0.022 0.000 1.222 129 C CA 1.388 60.374 59.018 -0.054 0.000 1.746 129 C CB -0.999 26.700 27.740 -0.068 0.000 2.039 129 C HN 0.544 nan 8.230 nan 0.000 0.470 130 D N 0.345 120.745 120.400 0.000 0.000 2.117 130 D HA -0.076 4.596 4.640 0.054 0.000 0.197 130 D C 2.189 178.501 176.300 0.020 0.000 0.987 130 D CA 1.599 55.607 54.000 0.013 0.000 0.829 130 D CB -0.217 40.597 40.800 0.024 0.000 0.961 130 D HN 0.410 nan 8.370 nan 0.000 0.460 131 A N 0.111 122.952 122.820 0.035 0.000 1.883 131 A HA -0.129 4.224 4.320 0.054 0.000 0.217 131 A C 2.428 180.026 177.584 0.023 0.000 1.186 131 A CA 1.233 53.295 52.037 0.042 0.000 0.624 131 A CB -0.865 18.179 19.000 0.074 0.000 0.822 131 A HN 0.347 nan 8.150 nan 0.000 0.444 132 L N -0.908 120.322 121.223 0.011 0.000 2.056 132 L HA -0.162 4.210 4.340 0.054 0.000 0.207 132 L C 3.114 179.981 176.870 -0.005 0.000 1.078 132 L CA 0.923 55.763 54.840 -0.000 0.000 0.749 132 L CB -0.674 41.376 42.059 -0.015 0.000 0.901 132 L HN 0.445 nan 8.230 nan 0.000 0.433 133 A N 0.342 123.157 122.820 -0.009 0.000 1.851 133 A HA -0.242 4.110 4.320 0.054 0.000 0.216 133 A C 2.412 179.997 177.584 0.002 0.000 1.195 133 A CA 1.745 53.778 52.037 -0.007 0.000 0.622 133 A CB -0.608 18.388 19.000 -0.005 0.000 0.831 133 A HN 0.289 nan 8.150 nan 0.000 0.444 134 R N 0.008 120.513 120.500 0.007 0.000 2.105 134 R HA -0.145 4.227 4.340 0.054 0.000 0.239 134 R C 2.625 178.930 176.300 0.008 0.000 1.135 134 R CA 1.677 57.782 56.100 0.010 0.000 0.967 134 R CB -0.432 29.876 30.300 0.014 0.000 0.861 134 R HN 0.770 nan 8.270 nan 0.000 0.442 135 S N -0.643 115.061 115.700 0.008 0.000 2.400 135 S HA -0.094 4.408 4.470 0.054 0.000 0.232 135 S C 1.649 176.251 174.600 0.004 0.000 1.025 135 S CA 1.172 59.376 58.200 0.007 0.000 0.993 135 S CB -0.288 62.917 63.200 0.008 0.000 0.808 135 S HN 0.551 nan 8.310 nan 0.000 0.478 136 G N 0.515 109.317 108.800 0.002 0.000 2.155 136 G HA2 -0.193 3.800 3.960 0.054 0.000 0.257 136 G HA3 -0.193 3.800 3.960 0.054 0.000 0.257 136 G C 0.733 175.632 174.900 -0.001 0.000 0.983 136 G CA 0.375 45.475 45.100 0.000 0.000 0.676 136 G HN 1.422 nan 8.290 nan 0.000 0.528 137 A N -1.221 121.598 122.820 -0.002 0.000 2.197 137 A HA 0.680 5.032 4.320 0.054 0.000 0.210 137 A C 1.000 178.581 177.584 -0.005 0.000 1.180 137 A CA 1.219 53.255 52.037 -0.002 0.000 0.846 137 A CB 0.616 19.616 19.000 0.000 0.000 0.884 137 A HN 0.972 nan 8.150 nan 0.000 0.487 138 V N 1.018 120.927 119.914 -0.008 0.000 2.472 138 V HA 0.232 4.384 4.120 0.054 0.000 0.290 138 V C 0.144 176.229 176.094 -0.016 0.000 1.037 138 V CA -0.497 61.796 62.300 -0.012 0.000 0.908 138 V CB 1.613 33.426 31.823 -0.016 0.000 0.985 138 V HN 0.392 nan 8.190 nan 0.000 0.454 139 D N 1.778 122.168 120.400 -0.017 0.000 2.338 139 D HA 0.076 4.748 4.640 0.054 0.000 0.224 139 D C 0.359 176.643 176.300 -0.026 0.000 0.967 139 D CA 1.161 55.150 54.000 -0.019 0.000 0.896 139 D CB 1.467 42.257 40.800 -0.017 0.000 1.028 139 D HN 0.404 nan 8.370 nan 0.000 0.493 140 V N 1.106 121.002 119.914 -0.029 0.000 2.577 140 V HA 0.480 4.632 4.120 0.054 0.000 0.303 140 V C -1.430 174.631 176.094 -0.054 0.000 1.042 140 V CA -0.715 61.560 62.300 -0.042 0.000 0.872 140 V CB 1.865 33.668 31.823 -0.034 0.000 0.998 140 V HN -0.094 nan 8.190 nan 0.000 0.423 141 I N 6.870 127.383 120.570 -0.096 0.000 2.433 141 I HA 0.643 4.845 4.170 0.054 0.000 0.292 141 I C -0.423 175.561 176.117 -0.222 0.000 1.001 141 I CA -1.035 60.180 61.300 -0.142 0.000 1.119 141 I CB 1.973 39.874 38.000 -0.165 0.000 1.289 141 I HN 0.627 nan 8.210 nan 0.000 0.438 142 V N 6.963 126.718 119.914 -0.264 0.000 2.495 142 V HA 0.584 4.736 4.120 0.054 0.000 0.298 142 V C -0.785 174.954 176.094 -0.591 0.000 1.031 142 V CA -0.373 61.690 62.300 -0.394 0.000 0.871 142 V CB 2.038 33.693 31.823 -0.280 0.000 0.988 142 V HN 0.443 nan 8.190 nan 0.000 0.432 143 V N 5.661 125.245 119.914 -0.551 0.000 2.328 143 V HA 0.395 4.547 4.120 0.054 0.000 0.278 143 V C -0.135 175.761 176.094 -0.331 0.000 1.021 143 V CA -0.340 61.691 62.300 -0.448 0.000 0.838 143 V CB 1.180 32.787 31.823 -0.360 0.000 0.999 143 V HN 0.977 nan 8.190 nan 0.000 0.447 144 D N 3.660 123.816 120.400 -0.406 0.000 2.365 144 D HA 0.302 4.974 4.640 0.054 0.000 0.237 144 D C 0.037 176.296 176.300 -0.067 0.000 1.190 144 D CA 0.647 54.529 54.000 -0.195 0.000 0.867 144 D CB 0.671 41.414 40.800 -0.095 0.000 1.050 144 D HN 0.640 nan 8.370 nan 0.000 0.491 145 S N 1.334 117.019 115.700 -0.024 0.000 3.392 145 S HA -0.150 4.352 4.470 0.054 0.000 0.693 145 S C 1.174 175.784 174.600 0.017 0.000 0.620 145 S CA 0.339 58.524 58.200 -0.025 0.000 1.452 145 S CB -1.034 62.111 63.200 -0.092 0.000 0.988 145 S HN 0.534 nan 8.310 nan 0.000 0.932 146 V N 2.397 122.337 119.914 0.043 0.000 2.515 146 V HA -0.019 4.134 4.120 0.054 0.000 0.250 146 V C 2.327 178.418 176.094 -0.004 0.000 1.058 146 V CA 2.350 64.668 62.300 0.029 0.000 1.064 146 V CB -1.077 30.718 31.823 -0.048 0.000 0.675 146 V HN 1.442 nan 8.190 nan 0.000 0.461 147 A N 0.738 123.538 122.820 -0.034 0.000 1.958 147 A HA -0.044 4.308 4.320 0.054 0.000 0.221 147 A C 2.363 180.001 177.584 0.091 0.000 1.178 147 A CA 2.485 54.511 52.037 -0.019 0.000 0.642 147 A CB -0.987 17.943 19.000 -0.116 0.000 0.816 147 A HN 1.233 nan 8.150 nan 0.000 0.453 148 A N -1.641 121.234 122.820 0.092 0.000 2.275 148 A HA 0.443 4.795 4.320 0.054 0.000 0.212 148 A C 0.532 178.194 177.584 0.130 0.000 1.201 148 A CA -0.121 52.032 52.037 0.194 0.000 0.843 148 A CB -0.147 18.963 19.000 0.184 0.000 0.873 148 A HN 0.284 nan 8.150 nan 0.000 0.492 149 L N 2.519 123.786 121.223 0.074 0.000 2.451 149 L HA 0.137 4.509 4.340 0.054 0.000 0.272 149 L C 0.050 176.940 176.870 0.034 0.000 1.258 149 L CA 0.701 55.569 54.840 0.047 0.000 1.132 149 L CB -0.971 41.106 42.059 0.029 0.000 1.361 149 L HN 0.101 nan 8.230 nan 0.000 0.438 150 T N 4.587 119.167 114.554 0.043 0.000 2.737 150 T HA 0.256 4.639 4.350 0.054 0.000 0.296 150 T C -2.187 172.511 174.700 -0.003 0.000 0.922 150 T CA -1.198 60.916 62.100 0.023 0.000 1.079 150 T CB 0.593 69.480 68.868 0.031 0.000 0.892 150 T HN 0.209 nan 8.240 nan 0.000 0.514 151 P HA 0.058 nan 4.420 nan 0.000 0.266 151 P C 0.909 178.175 177.300 -0.056 0.000 1.193 151 P CA -0.263 62.808 63.100 -0.048 0.000 0.770 151 P CB 0.726 32.379 31.700 -0.078 0.000 0.836 152 K N 2.811 123.183 120.400 -0.047 0.000 2.063 152 K HA -0.200 4.152 4.320 0.054 0.000 0.208 152 K C 1.808 178.372 176.600 -0.060 0.000 1.048 152 K CA 1.801 58.068 56.287 -0.034 0.000 0.928 152 K CB -0.591 31.901 32.500 -0.013 0.000 0.713 152 K HN 0.467 nan 8.250 nan 0.000 0.442 153 A N 0.860 123.610 122.820 -0.118 0.000 1.972 153 A HA -0.205 4.147 4.320 0.054 0.000 0.219 153 A C 1.951 179.380 177.584 -0.259 0.000 1.169 153 A CA 1.776 53.700 52.037 -0.189 0.000 0.635 153 A CB -0.471 18.360 19.000 -0.282 0.000 0.810 153 A HN 0.560 nan 8.150 nan 0.000 0.446 154 E N -0.330 119.714 120.200 -0.259 0.000 2.106 154 E HA -0.106 4.276 4.350 0.054 0.000 0.192 154 E C 1.791 178.396 176.600 0.008 0.000 0.984 154 E CA 0.962 57.295 56.400 -0.111 0.000 0.806 154 E CB -0.163 29.500 29.700 -0.061 0.000 0.750 154 E HN 0.674 nan 8.360 nan 0.000 0.458 155 I N 0.636 121.199 120.570 -0.011 0.000 2.233 155 I HA -0.199 4.003 4.170 0.054 0.000 0.243 155 I C 2.063 178.195 176.117 0.025 0.000 1.093 155 I CA 1.169 62.475 61.300 0.011 0.000 1.380 155 I CB -0.081 37.923 38.000 0.007 0.000 1.067 155 I HN 0.130 nan 8.210 nan 0.000 0.413 156 E N 0.488 120.701 120.200 0.021 0.000 2.216 156 E HA -0.002 4.380 4.350 0.054 0.000 0.192 156 E C 1.277 177.909 176.600 0.054 0.000 0.988 156 E CA 0.397 56.816 56.400 0.032 0.000 0.834 156 E CB -0.011 29.703 29.700 0.024 0.000 0.772 156 E HN 0.487 nan 8.360 nan 0.000 0.479 157 G N 0.487 109.338 108.800 0.086 0.000 2.508 157 G HA2 0.195 4.187 3.960 0.054 0.000 0.278 157 G HA3 0.195 4.187 3.960 0.054 0.000 0.278 157 G C -0.265 174.705 174.900 0.116 0.000 1.389 157 G CA -0.478 44.707 45.100 0.143 0.000 1.050 157 G HN -0.021 nan 8.290 nan 0.000 0.522 158 E N -1.495 118.769 120.200 0.107 0.000 2.264 158 E HA 0.388 4.770 4.350 0.054 0.000 0.260 158 E C -0.395 176.243 176.600 0.064 0.000 0.961 158 E CA -0.665 55.781 56.400 0.077 0.000 0.834 158 E CB 2.205 31.945 29.700 0.067 0.000 1.230 158 E HN 0.263 nan 8.360 nan 0.000 0.412 159 I N 0.915 121.517 120.570 0.053 0.000 2.529 159 I HA 0.200 4.402 4.170 0.054 0.000 0.284 159 I C 1.002 177.127 176.117 0.012 0.000 1.082 159 I CA 0.615 61.934 61.300 0.031 0.000 1.406 159 I CB 0.507 38.519 38.000 0.020 0.000 1.405 159 I HN 0.826 nan 8.210 nan 0.000 0.548 160 G N 3.404 112.200 108.800 -0.006 0.000 2.203 160 G HA2 -0.170 3.822 3.960 0.054 0.000 0.231 160 G HA3 -0.170 3.822 3.960 0.054 0.000 0.231 160 G C -0.489 174.379 174.900 -0.053 0.000 1.058 160 G CA -0.607 44.478 45.100 -0.024 0.000 0.781 160 G HN 0.602 nan 8.290 nan 0.000 0.496 161 D N -0.644 119.701 120.400 -0.091 0.000 2.340 161 D HA 0.568 5.240 4.640 0.054 0.000 0.243 161 D C 0.796 176.949 176.300 -0.246 0.000 0.988 161 D CA -0.149 53.719 54.000 -0.221 0.000 0.959 161 D CB 1.549 42.109 40.800 -0.399 0.000 1.226 161 D HN -0.040 nan 8.370 nan 0.000 0.509 162 S N 0.363 115.893 115.700 -0.284 0.000 3.120 162 S HA -0.076 4.427 4.470 0.054 0.000 0.259 162 S C 0.128 174.670 174.600 -0.096 0.000 1.191 162 S CA -0.178 57.930 58.200 -0.154 0.000 1.257 162 S CB -0.779 62.360 63.200 -0.102 0.000 0.964 162 S HN 0.252 nan 8.310 nan 0.000 0.473 163 H N 2.286 121.358 119.070 0.004 0.000 2.727 163 H HA 0.163 4.751 4.556 0.054 0.000 0.312 163 H C 0.857 176.186 175.328 0.002 0.000 1.204 163 H CA -0.244 55.806 56.048 0.003 0.000 1.122 163 H CB -0.604 29.160 29.762 0.003 0.000 1.453 163 H HN 0.600 nan 8.280 nan 0.000 0.514 164 M N -0.606 119.053 119.600 0.099 0.000 2.250 164 M HA 0.135 4.648 4.480 0.054 0.000 0.337 164 M C 1.020 177.351 176.300 0.051 0.000 1.161 164 M CA 1.320 56.655 55.300 0.058 0.000 1.088 164 M CB 0.292 32.914 32.600 0.037 0.000 1.639 164 M HN 0.512 nan 8.290 nan 0.000 0.447 165 G N 3.750 112.570 108.800 0.033 0.000 2.280 165 G HA2 -0.279 3.714 3.960 0.054 0.000 0.282 165 G HA3 -0.279 3.714 3.960 0.054 0.000 0.282 165 G C 0.633 175.542 174.900 0.014 0.000 1.000 165 G CA 0.772 45.884 45.100 0.020 0.000 0.751 165 G HN 0.802 nan 8.290 nan 0.000 0.515 166 L N -0.863 120.370 121.223 0.017 0.000 2.179 166 L HA 0.205 4.577 4.340 0.054 0.000 0.208 166 L C 3.006 179.864 176.870 -0.020 0.000 1.096 166 L CA 1.593 56.431 54.840 -0.004 0.000 0.779 166 L CB -0.310 41.736 42.059 -0.020 0.000 0.922 166 L HN 0.401 nan 8.230 nan 0.000 0.443 167 A N -0.692 122.118 122.820 -0.016 0.000 2.067 167 A HA 0.010 4.362 4.320 0.054 0.000 0.217 167 A C 2.329 179.892 177.584 -0.034 0.000 1.156 167 A CA 1.172 53.194 52.037 -0.026 0.000 0.683 167 A CB -0.363 18.625 19.000 -0.020 0.000 0.808 167 A HN 0.449 nan 8.150 nan 0.000 0.455 168 A N -0.095 122.710 122.820 -0.025 0.000 1.897 168 A HA -0.056 4.297 4.320 0.054 0.000 0.215 168 A C 2.200 179.767 177.584 -0.029 0.000 1.181 168 A CA 1.443 53.464 52.037 -0.026 0.000 0.620 168 A CB -0.398 18.596 19.000 -0.010 0.000 0.821 168 A HN 0.480 nan 8.150 nan 0.000 0.443 169 R N -0.920 119.566 120.500 -0.022 0.000 2.115 169 R HA -0.040 4.332 4.340 0.054 0.000 0.230 169 R C 2.231 178.511 176.300 -0.033 0.000 1.111 169 R CA 1.503 57.590 56.100 -0.022 0.000 0.976 169 R CB -0.272 30.020 30.300 -0.014 0.000 0.870 169 R HN 0.640 nan 8.270 nan 0.000 0.445 170 M N -0.404 119.173 119.600 -0.038 0.000 2.099 170 M HA -0.176 4.336 4.480 0.054 0.000 0.262 170 M C 1.710 177.972 176.300 -0.063 0.000 1.067 170 M CA 1.475 56.749 55.300 -0.043 0.000 1.124 170 M CB 0.052 32.629 32.600 -0.039 0.000 1.353 170 M HN 0.184 nan 8.290 nan 0.000 0.410 171 M N -0.360 119.192 119.600 -0.080 0.000 2.108 171 M HA -0.179 4.333 4.480 0.054 0.000 0.261 171 M C 2.448 178.665 176.300 -0.139 0.000 1.066 171 M CA 1.617 56.839 55.300 -0.129 0.000 1.107 171 M CB -1.425 31.089 32.600 -0.144 0.000 1.356 171 M HN 0.393 nan 8.290 nan 0.000 0.406 172 S N -0.176 115.469 115.700 -0.091 0.000 2.368 172 S HA -0.213 4.290 4.470 0.054 0.000 0.225 172 S C 1.897 176.434 174.600 -0.105 0.000 1.030 172 S CA 1.598 59.752 58.200 -0.077 0.000 0.999 172 S CB -0.149 63.035 63.200 -0.027 0.000 0.844 172 S HN 0.548 nan 8.310 nan 0.000 0.459 173 Q N 0.124 119.876 119.800 -0.079 0.000 2.079 173 Q HA -0.065 4.308 4.340 0.054 0.000 0.200 173 Q C 2.212 178.154 176.000 -0.097 0.000 0.974 173 Q CA 1.373 57.134 55.803 -0.070 0.000 0.840 173 Q CB -0.433 28.280 28.738 -0.042 0.000 0.898 173 Q HN 0.625 nan 8.270 nan 0.000 0.430 174 A N 0.879 123.636 122.820 -0.105 0.000 1.883 174 A HA -0.233 4.120 4.320 0.054 0.000 0.217 174 A C 2.057 179.542 177.584 -0.164 0.000 1.186 174 A CA 1.818 53.798 52.037 -0.095 0.000 0.624 174 A CB -0.571 18.390 19.000 -0.065 0.000 0.822 174 A HN 0.419 nan 8.150 nan 0.000 0.444 175 M N -0.656 118.750 119.600 -0.324 0.000 2.080 175 M HA -0.153 4.359 4.480 0.054 0.000 0.260 175 M C 2.168 178.116 176.300 -0.587 0.000 1.068 175 M CA 1.641 56.555 55.300 -0.643 0.000 1.109 175 M CB -1.435 30.380 32.600 -1.310 0.000 1.342 175 M HN 0.419 nan 8.290 nan 0.000 0.405 176 R N 0.301 120.562 120.500 -0.397 0.000 2.112 176 R HA -0.183 4.189 4.340 0.054 0.000 0.242 176 R C 2.319 178.587 176.300 -0.053 0.000 1.137 176 R CA 1.747 57.778 56.100 -0.115 0.000 0.944 176 R CB -0.295 29.982 30.300 -0.039 0.000 0.857 176 R HN 0.446 nan 8.270 nan 0.000 0.435 177 K N 0.250 120.613 120.400 -0.061 0.000 2.057 177 K HA -0.089 4.263 4.320 0.054 0.000 0.206 177 K C 2.198 178.790 176.600 -0.013 0.000 1.050 177 K CA 1.068 57.341 56.287 -0.023 0.000 0.935 177 K CB -0.078 32.412 32.500 -0.017 0.000 0.715 177 K HN 0.165 nan 8.250 nan 0.000 0.439 178 L N 0.568 121.772 121.223 -0.031 0.000 2.044 178 L HA -0.106 4.266 4.340 0.054 0.000 0.205 178 L C 2.642 179.525 176.870 0.023 0.000 1.075 178 L CA 0.896 55.736 54.840 0.000 0.000 0.747 178 L CB -0.678 41.392 42.059 0.019 0.000 0.903 178 L HN 0.155 nan 8.230 nan 0.000 0.435 179 A N 0.711 123.548 122.820 0.029 0.000 1.909 179 A HA -0.287 4.066 4.320 0.054 0.000 0.221 179 A C 2.355 179.988 177.584 0.082 0.000 1.223 179 A CA 2.443 54.543 52.037 0.104 0.000 0.658 179 A CB -1.580 17.553 19.000 0.223 0.000 0.831 179 A HN 0.485 nan 8.150 nan 0.000 0.462 180 G N -0.953 107.886 108.800 0.066 0.000 2.421 180 G HA2 -0.268 3.724 3.960 0.054 0.000 0.216 180 G HA3 -0.268 3.724 3.960 0.054 0.000 0.216 180 G C 1.443 176.364 174.900 0.035 0.000 1.171 180 G CA 1.050 46.180 45.100 0.050 0.000 0.775 180 G HN 0.732 nan 8.290 nan 0.000 0.543 181 N N -0.068 118.649 118.700 0.028 0.000 2.223 181 N HA -0.005 4.768 4.740 0.054 0.000 0.185 181 N C 2.193 177.714 175.510 0.018 0.000 1.016 181 N CA 0.417 53.479 53.050 0.020 0.000 0.863 181 N CB -0.115 38.382 38.487 0.016 0.000 0.983 181 N HN 0.240 nan 8.380 nan 0.000 0.429 182 L N 0.704 121.941 121.223 0.023 0.000 2.072 182 L HA -0.115 4.257 4.340 0.054 0.000 0.205 182 L C 2.420 179.303 176.870 0.022 0.000 1.079 182 L CA 0.871 55.723 54.840 0.019 0.000 0.752 182 L CB -0.198 41.877 42.059 0.027 0.000 0.906 182 L HN 0.063 nan 8.230 nan 0.000 0.436 183 K N 0.591 121.010 120.400 0.031 0.000 2.025 183 K HA -0.197 4.155 4.320 0.054 0.000 0.207 183 K C 2.055 178.667 176.600 0.020 0.000 1.049 183 K CA 1.625 57.930 56.287 0.029 0.000 0.933 183 K CB -0.240 32.282 32.500 0.037 0.000 0.714 183 K HN 0.174 nan 8.250 nan 0.000 0.438 184 Q N -0.537 119.274 119.800 0.019 0.000 2.364 184 Q HA 0.033 4.405 4.340 0.054 0.000 0.207 184 Q C 1.071 177.077 176.000 0.010 0.000 0.970 184 Q CA 1.366 57.178 55.803 0.015 0.000 0.888 184 Q CB 0.229 28.976 28.738 0.015 0.000 0.951 184 Q HN 0.233 nan 8.270 nan 0.000 0.469 185 S N -0.017 115.688 115.700 0.009 0.000 2.524 185 S HA 0.054 4.557 4.470 0.054 0.000 0.215 185 S C 0.234 174.836 174.600 0.002 0.000 0.986 185 S CA -0.087 58.116 58.200 0.005 0.000 0.911 185 S CB 0.293 63.495 63.200 0.003 0.000 0.805 185 S HN 0.452 nan 8.310 nan 0.000 0.501 186 N N 2.063 120.766 118.700 0.005 0.000 2.735 186 N HA -0.141 4.631 4.740 0.054 0.000 0.248 186 N C -1.152 174.357 175.510 -0.002 0.000 1.083 186 N CA 0.887 53.939 53.050 0.003 0.000 0.703 186 N CB -1.508 36.980 38.487 0.002 0.000 1.005 186 N HN 0.261 nan 8.380 nan 0.000 0.550 187 T N 0.771 115.323 114.554 -0.004 0.000 2.767 187 T HA 0.433 4.816 4.350 0.054 0.000 0.288 187 T C 0.257 174.947 174.700 -0.017 0.000 0.963 187 T CA -0.670 61.421 62.100 -0.014 0.000 1.019 187 T CB 1.451 70.307 68.868 -0.019 0.000 0.923 187 T HN 0.293 nan 8.240 nan 0.000 0.468 188 L N 4.578 125.786 121.223 -0.025 0.000 2.331 188 L HA 0.558 4.930 4.340 0.054 0.000 0.278 188 L C -0.830 176.001 176.870 -0.065 0.000 1.106 188 L CA -0.258 54.564 54.840 -0.030 0.000 0.824 188 L CB 0.379 42.422 42.059 -0.027 0.000 1.142 188 L HN 0.629 nan 8.230 nan 0.000 0.443 189 L N 6.813 127.990 121.223 -0.076 0.000 2.343 189 L HA 0.536 4.908 4.340 0.054 0.000 0.278 189 L C -1.029 175.725 176.870 -0.194 0.000 0.996 189 L CA -0.480 54.252 54.840 -0.181 0.000 0.831 189 L CB 1.245 43.181 42.059 -0.204 0.000 1.232 189 L HN 0.666 nan 8.230 nan 0.000 0.413 190 I N 4.564 124.984 120.570 -0.249 0.000 2.321 190 I HA 0.273 4.476 4.170 0.054 0.000 0.291 190 I C -0.815 175.122 176.117 -0.300 0.000 0.998 190 I CA -0.285 60.912 61.300 -0.171 0.000 1.227 190 I CB 1.217 39.161 38.000 -0.093 0.000 1.368 190 I HN 0.395 nan 8.210 nan 0.000 0.466 191 F N 6.609 126.538 119.950 -0.036 0.000 2.404 191 F HA 0.460 5.020 4.527 0.054 0.000 0.354 191 F C 0.399 176.186 175.800 -0.022 0.000 1.122 191 F CA -0.434 57.539 58.000 -0.044 0.000 1.080 191 F CB 0.971 39.957 39.000 -0.023 0.000 1.131 191 F HN 0.217 nan 8.300 nan 0.000 0.471 192 I N 3.640 124.287 120.570 0.128 0.000 2.371 192 I HA 0.195 4.397 4.170 0.054 0.000 0.290 192 I C -0.149 176.028 176.117 0.102 0.000 1.028 192 I CA -0.060 61.301 61.300 0.101 0.000 1.345 192 I CB 0.938 38.970 38.000 0.053 0.000 1.407 192 I HN 0.636 nan 8.210 nan 0.000 0.501 193 N N 4.421 123.185 118.700 0.107 0.000 2.292 193 N HA 0.385 5.158 4.740 0.054 0.000 0.303 193 N C -1.147 174.351 175.510 -0.020 0.000 1.140 193 N CA -0.694 52.377 53.050 0.036 0.000 0.788 193 N CB 1.665 40.182 38.487 0.050 0.000 1.361 193 N HN 0.541 nan 8.380 nan 0.000 0.489 194 Q N 0.886 120.550 119.800 -0.227 0.000 2.180 194 Q HA 0.488 4.860 4.340 0.054 0.000 0.241 194 Q C -0.628 175.165 176.000 -0.344 0.000 0.970 194 Q CA -0.615 54.851 55.803 -0.562 0.000 0.919 194 Q CB 1.962 29.945 28.738 -1.258 0.000 1.222 194 Q HN 0.479 nan 8.270 nan 0.000 0.482 195 I N 1.422 121.838 120.570 -0.256 0.000 2.359 195 I HA 0.357 4.559 4.170 0.054 0.000 0.294 195 I C 0.011 176.115 176.117 -0.022 0.000 0.987 195 I CA -0.668 60.611 61.300 -0.034 0.000 1.225 195 I CB 0.804 38.906 38.000 0.170 0.000 1.366 195 I HN 0.337 nan 8.210 nan 0.000 0.466 196 R N 4.435 124.912 120.500 -0.038 0.000 2.902 196 R HA 0.642 5.014 4.340 0.054 0.000 0.258 196 R C -0.919 175.388 176.300 0.012 0.000 1.071 196 R CA -1.310 54.792 56.100 0.004 0.000 1.024 196 R CB 1.527 31.813 30.300 -0.022 0.000 1.184 196 R HN 0.399 nan 8.270 nan 0.000 0.492 197 M N 1.573 121.186 119.600 0.023 0.000 2.300 197 M HA 0.280 4.792 4.480 0.054 0.000 0.348 197 M C -0.386 175.917 176.300 0.006 0.000 1.151 197 M CA -0.377 54.932 55.300 0.016 0.000 1.046 197 M CB 1.039 33.653 32.600 0.023 0.000 1.647 197 M HN 0.338 nan 8.290 nan 0.000 0.451 198 K N 4.039 124.440 120.400 0.002 0.000 2.098 198 K HA 0.633 4.985 4.320 0.054 0.000 0.258 198 K C -1.139 175.462 176.600 0.003 0.000 0.973 198 K CA -0.650 55.642 56.287 0.008 0.000 0.898 198 K CB 1.685 34.196 32.500 0.019 0.000 1.057 198 K HN 0.834 nan 8.250 nan 0.000 0.447 199 I N 0.390 120.968 120.570 0.013 0.000 2.439 199 I HA 0.372 4.574 4.170 0.054 0.000 0.283 199 I C -0.437 175.691 176.117 0.018 0.000 1.023 199 I CA 0.198 61.501 61.300 0.005 0.000 1.100 199 I CB 1.128 39.134 38.000 0.011 0.000 1.238 199 I HN 1.038 nan 8.210 nan 0.000 0.445 200 G N 5.220 114.017 108.800 -0.005 0.000 2.526 200 G HA2 -0.079 3.913 3.960 0.054 0.000 0.225 200 G HA3 -0.079 3.913 3.960 0.054 0.000 0.225 200 G C -0.927 173.991 174.900 0.030 0.000 1.120 200 G CA -0.012 45.103 45.100 0.025 0.000 0.904 200 G HN 1.098 nan 8.290 nan 0.000 0.498 201 V N 2.715 122.489 119.914 -0.232 0.000 2.498 201 V HA 0.733 4.885 4.120 0.054 0.000 0.283 201 V C 0.420 175.813 176.094 -1.168 0.000 1.015 201 V CA -0.279 61.565 62.300 -0.760 0.000 0.867 201 V CB 1.179 32.878 31.823 -0.208 0.000 1.025 201 V HN 0.946 nan 8.190 nan 0.000 0.441 202 M N 5.813 124.234 119.600 -1.966 0.000 3.076 202 M HA 0.452 4.964 4.480 0.054 0.000 0.296 202 M C -1.132 174.791 176.300 -0.628 0.000 1.185 202 M CA 0.296 55.061 55.300 -0.892 0.000 0.932 202 M CB -0.387 32.013 32.600 -0.334 0.000 1.288 202 M HN 0.603 nan 8.290 nan 0.000 0.536 203 F N -1.016 118.941 119.950 0.012 0.000 1.819 203 F HA 0.605 5.165 4.527 0.054 0.000 0.232 203 F C 1.084 176.888 175.800 0.007 0.000 1.257 203 F CA -0.333 57.672 58.000 0.008 0.000 1.283 203 F CB -0.959 38.044 39.000 0.007 0.000 1.979 203 F HN 0.102 nan 8.300 nan 0.000 0.161 204 G N 1.546 110.545 108.800 0.332 0.000 2.653 204 G HA2 0.282 4.274 3.960 0.054 0.000 0.265 204 G HA3 0.282 4.274 3.960 0.054 0.000 0.265 204 G C -0.394 174.538 174.900 0.054 0.000 1.237 204 G CA -0.201 44.997 45.100 0.163 0.000 0.946 204 G HN 0.584 nan 8.290 nan 0.000 0.522 205 N N 0.272 118.995 118.700 0.038 0.000 2.525 205 N HA 0.160 4.933 4.740 0.054 0.000 0.271 205 N C -1.793 173.720 175.510 0.006 0.000 1.194 205 N CA -1.399 51.658 53.050 0.011 0.000 0.964 205 N CB 1.915 40.411 38.487 0.016 0.000 1.126 205 N HN 0.130 nan 8.380 nan 0.000 0.452 206 P HA 0.115 nan 4.420 nan 0.000 0.249 206 P C -0.358 176.940 177.300 -0.003 0.000 1.229 206 P CA 0.377 63.467 63.100 -0.016 0.000 0.788 206 P CB 0.366 32.046 31.700 -0.032 0.000 1.072 207 E N 0.246 120.446 120.200 -0.001 0.000 2.366 207 E HA 0.303 4.685 4.350 0.054 0.000 0.266 207 E C 0.082 176.650 176.600 -0.055 0.000 1.051 207 E CA 0.320 56.713 56.400 -0.012 0.000 0.884 207 E CB 0.712 30.414 29.700 0.003 0.000 1.006 207 E HN 0.117 nan 8.360 nan 0.000 0.417 208 T N 0.042 114.546 114.554 -0.083 0.000 2.618 208 T HA 0.449 4.831 4.350 0.054 0.000 0.293 208 T C -0.522 174.062 174.700 -0.193 0.000 1.093 208 T CA -0.770 61.249 62.100 -0.134 0.000 1.061 208 T CB 1.703 70.523 68.868 -0.080 0.000 1.498 208 T HN 0.314 nan 8.240 nan 0.000 0.494 209 T N 1.624 116.064 114.554 -0.190 0.000 2.909 209 T HA 0.623 5.005 4.350 0.054 0.000 0.299 209 T C -0.570 174.050 174.700 -0.132 0.000 1.073 209 T CA -0.537 61.438 62.100 -0.207 0.000 0.999 209 T CB 1.558 70.257 68.868 -0.282 0.000 1.098 209 T HN 0.762 nan 8.240 nan 0.000 0.477 210 T N 0.957 115.436 114.554 -0.124 0.000 2.868 210 T HA 0.506 4.888 4.350 0.054 0.000 0.292 210 T C 1.236 175.886 174.700 -0.084 0.000 1.028 210 T CA 0.308 62.353 62.100 -0.091 0.000 1.059 210 T CB 0.648 69.463 68.868 -0.088 0.000 0.991 210 T HN 1.173 nan 8.240 nan 0.000 0.531 211 G N 0.252 109.014 108.800 -0.064 0.000 2.204 211 G HA2 0.263 4.255 3.960 0.054 0.000 0.244 211 G HA3 0.263 4.255 3.960 0.054 0.000 0.244 211 G C 0.702 175.564 174.900 -0.063 0.000 1.062 211 G CA 0.123 45.181 45.100 -0.069 0.000 0.798 211 G HN 1.851 nan 8.290 nan 0.000 0.496 212 G N -0.362 108.415 108.800 -0.038 0.000 2.593 212 G HA2 -0.185 3.807 3.960 0.054 0.000 0.237 212 G HA3 -0.185 3.807 3.960 0.054 0.000 0.237 212 G C 0.537 175.443 174.900 0.009 0.000 1.312 212 G CA 0.506 45.600 45.100 -0.011 0.000 0.896 212 G HN 0.957 nan 8.290 nan 0.000 0.574 213 N N 0.361 119.098 118.700 0.062 0.000 2.250 213 N HA 0.240 5.012 4.740 0.054 0.000 0.190 213 N C 2.376 178.046 175.510 0.267 0.000 1.116 213 N CA 1.145 54.283 53.050 0.148 0.000 0.881 213 N CB 0.305 38.917 38.487 0.208 0.000 1.006 213 N HN 0.845 nan 8.380 nan 0.000 0.491 214 A N 1.587 124.519 122.820 0.186 0.000 1.873 214 A HA -0.151 4.202 4.320 0.054 0.000 0.218 214 A C 2.163 179.949 177.584 0.337 0.000 1.193 214 A CA 1.161 53.358 52.037 0.266 0.000 0.629 214 A CB -0.731 18.323 19.000 0.089 0.000 0.826 214 A HN 0.197 nan 8.150 nan 0.000 0.447 215 L N 0.014 121.303 121.223 0.111 0.000 2.079 215 L HA -0.172 4.201 4.340 0.054 0.000 0.210 215 L C 2.243 179.182 176.870 0.115 0.000 1.081 215 L CA 2.240 57.112 54.840 0.053 0.000 0.752 215 L CB -0.568 41.406 42.059 -0.141 0.000 0.896 215 L HN 0.395 nan 8.230 nan 0.000 0.433 216 K N -1.218 119.221 120.400 0.064 0.000 2.074 216 K HA -0.232 4.120 4.320 0.054 0.000 0.209 216 K C 2.037 178.573 176.600 -0.105 0.000 1.048 216 K CA 2.068 58.315 56.287 -0.066 0.000 0.926 216 K CB -0.468 31.892 32.500 -0.232 0.000 0.713 216 K HN 0.273 nan 8.250 nan 0.000 0.444 217 F N -0.639 119.337 119.950 0.043 0.000 2.149 217 F HA -0.103 4.456 4.527 0.054 0.000 0.294 217 F C 2.119 177.872 175.800 -0.078 0.000 1.095 217 F CA 1.072 59.047 58.000 -0.042 0.000 1.276 217 F CB -0.404 38.531 39.000 -0.108 0.000 1.023 217 F HN -0.030 nan 8.300 nan 0.000 0.480 218 Y N 0.187 120.601 120.300 0.190 0.000 2.373 218 Y HA 0.169 4.751 4.550 0.054 0.000 0.293 218 Y C 1.671 177.622 175.900 0.085 0.000 1.129 218 Y CA 0.013 58.183 58.100 0.116 0.000 1.226 218 Y CB -0.798 37.714 38.460 0.087 0.000 1.000 218 Y HN -0.109 nan 8.280 nan 0.000 0.549 219 A N -0.046 122.900 122.820 0.209 0.000 2.546 219 A HA 0.106 4.458 4.320 0.054 0.000 0.243 219 A C 1.244 178.876 177.584 0.081 0.000 1.063 219 A CA 0.542 52.663 52.037 0.140 0.000 0.757 219 A CB 0.106 19.172 19.000 0.110 0.000 0.991 219 A HN 0.353 nan 8.150 nan 0.000 0.503 220 S N 0.597 116.339 115.700 0.069 0.000 2.486 220 S HA 0.196 4.698 4.470 0.054 0.000 0.220 220 S C 0.316 174.920 174.600 0.006 0.000 1.011 220 S CA 0.440 58.659 58.200 0.032 0.000 0.921 220 S CB 0.138 63.359 63.200 0.035 0.000 0.785 220 S HN 0.564 nan 8.310 nan 0.000 0.517 221 V N 2.408 122.331 119.914 0.015 0.000 2.733 221 V HA 0.455 4.607 4.120 0.054 0.000 0.306 221 V C -0.907 175.190 176.094 0.005 0.000 1.084 221 V CA -0.837 61.458 62.300 -0.009 0.000 0.905 221 V CB 2.131 33.949 31.823 -0.009 0.000 1.010 221 V HN 0.142 nan 8.190 nan 0.000 0.424 222 R N 4.284 124.772 120.500 -0.020 0.000 2.480 222 R HA 0.673 5.046 4.340 0.054 0.000 0.306 222 R C -1.838 174.413 176.300 -0.082 0.000 0.958 222 R CA -0.907 55.192 56.100 -0.002 0.000 0.861 222 R CB 2.258 32.599 30.300 0.069 0.000 1.171 222 R HN 0.338 nan 8.270 nan 0.000 0.445 223 L N 2.433 123.569 121.223 -0.144 0.000 2.313 223 L HA 0.285 4.657 4.340 0.054 0.000 0.283 223 L C -0.195 176.372 176.870 -0.506 0.000 1.013 223 L CA -0.543 54.171 54.840 -0.211 0.000 0.816 223 L CB 1.409 43.408 42.059 -0.100 0.000 1.236 223 L HN 0.492 nan 8.230 nan 0.000 0.419 224 D N 4.340 124.454 120.400 -0.477 0.000 2.443 224 D HA 0.244 4.916 4.640 0.054 0.000 0.221 224 D C -0.588 175.580 176.300 -0.219 0.000 1.097 224 D CA -0.202 53.453 54.000 -0.574 0.000 0.865 224 D CB 0.796 41.400 40.800 -0.326 0.000 1.034 224 D HN 0.453 nan 8.370 nan 0.000 0.511 225 I N 3.361 123.838 120.570 -0.154 0.000 2.392 225 I HA 0.468 4.670 4.170 0.054 0.000 0.295 225 I C -0.626 175.487 176.117 -0.007 0.000 0.985 225 I CA -0.631 60.642 61.300 -0.046 0.000 1.221 225 I CB 0.593 38.603 38.000 0.017 0.000 1.366 225 I HN 0.242 nan 8.210 nan 0.000 0.467 226 R N 5.662 126.145 120.500 -0.028 0.000 2.626 226 R HA 0.378 4.750 4.340 0.054 0.000 0.274 226 R C -1.079 175.200 176.300 -0.035 0.000 1.031 226 R CA -0.904 55.190 56.100 -0.009 0.000 0.898 226 R CB 2.008 32.303 30.300 -0.008 0.000 1.222 226 R HN 0.569 nan 8.270 nan 0.000 0.455 227 R N 3.973 124.475 120.500 0.002 0.000 2.298 227 R HA 0.177 4.549 4.340 0.054 0.000 0.310 227 R C 0.683 176.972 176.300 -0.017 0.000 1.068 227 R CA 0.132 56.234 56.100 0.002 0.000 0.957 227 R CB 0.457 30.796 30.300 0.065 0.000 1.003 227 R HN 0.772 nan 8.270 nan 0.000 0.454 228 I N 0.461 121.002 120.570 -0.047 0.000 4.181 228 I HA 0.486 4.688 4.170 0.054 0.000 0.331 228 I C 0.451 176.539 176.117 -0.049 0.000 1.312 228 I CA -0.205 61.065 61.300 -0.050 0.000 1.146 228 I CB 1.048 39.007 38.000 -0.069 0.000 1.074 228 I HN 0.628 nan 8.210 nan 0.000 0.402 229 G N 1.056 109.824 108.800 -0.053 0.000 2.441 229 G HA2 0.660 4.652 3.960 0.054 0.000 0.294 229 G HA3 0.660 4.652 3.960 0.054 0.000 0.294 229 G C -1.979 172.874 174.900 -0.078 0.000 1.393 229 G CA -0.232 44.828 45.100 -0.065 0.000 0.796 229 G HN 0.298 nan 8.290 nan 0.000 0.494 230 A N -0.556 122.202 122.820 -0.103 0.000 2.317 230 A HA 0.727 5.079 4.320 0.054 0.000 0.327 230 A C -0.268 177.263 177.584 -0.088 0.000 1.178 230 A CA -0.532 51.434 52.037 -0.118 0.000 0.817 230 A CB 1.561 20.446 19.000 -0.191 0.000 1.189 230 A HN 1.339 nan 8.150 nan 0.000 0.489 231 V N 3.761 123.620 119.914 -0.092 0.000 2.368 231 V HA 0.201 4.353 4.120 0.054 0.000 0.266 231 V C 0.353 176.412 176.094 -0.058 0.000 1.045 231 V CA -0.015 62.237 62.300 -0.080 0.000 0.899 231 V CB 0.367 32.127 31.823 -0.105 0.000 1.006 231 V HN 0.849 nan 8.190 nan 0.000 0.470 232 K N 3.322 123.698 120.400 -0.040 0.000 2.156 232 K HA 0.482 4.835 4.320 0.054 0.000 0.254 232 K C -0.127 176.467 176.600 -0.010 0.000 0.950 232 K CA -0.712 55.562 56.287 -0.020 0.000 0.849 232 K CB 1.719 34.204 32.500 -0.024 0.000 1.100 232 K HN 0.475 nan 8.250 nan 0.000 0.434 233 E N 1.824 122.027 120.200 0.005 0.000 3.312 233 E HA 0.124 4.506 4.350 0.054 0.000 0.215 233 E C 0.547 177.153 176.600 0.010 0.000 1.160 233 E CA -0.139 56.266 56.400 0.009 0.000 1.267 233 E CB 0.736 30.448 29.700 0.021 0.000 1.361 233 E HN 1.007 nan 8.360 nan 0.000 0.433 234 G N 2.589 111.391 108.800 0.003 0.000 4.230 234 G HA2 -0.432 3.560 3.960 0.054 0.000 0.340 234 G HA3 -0.432 3.560 3.960 0.054 0.000 0.340 234 G C 1.168 176.071 174.900 0.006 0.000 1.315 234 G CA 0.721 45.822 45.100 0.003 0.000 1.033 234 G HN 0.450 nan 8.290 nan 0.000 0.741 235 E N 1.886 122.094 120.200 0.013 0.000 2.021 235 E HA -0.000 4.382 4.350 0.054 0.000 0.189 235 E C 1.194 177.812 176.600 0.030 0.000 0.980 235 E CA 0.898 57.309 56.400 0.019 0.000 0.803 235 E CB -0.380 29.334 29.700 0.023 0.000 0.766 235 E HN 0.689 nan 8.360 nan 0.000 0.449 236 N N 0.354 119.078 118.700 0.040 0.000 2.525 236 N HA 0.110 4.882 4.740 0.054 0.000 0.271 236 N C -0.778 174.775 175.510 0.072 0.000 1.194 236 N CA -0.139 52.950 53.050 0.065 0.000 0.964 236 N CB 1.522 40.052 38.487 0.072 0.000 1.126 236 N HN -0.198 nan 8.380 nan 0.000 0.452 237 V N 2.197 122.186 119.914 0.124 0.000 2.334 237 V HA 0.097 4.249 4.120 0.054 0.000 0.267 237 V C 0.587 176.829 176.094 0.247 0.000 1.040 237 V CA -0.264 62.128 62.300 0.153 0.000 0.866 237 V CB 1.057 32.995 31.823 0.192 0.000 1.019 237 V HN 0.568 nan 8.190 nan 0.000 0.468 238 V N 4.426 124.399 119.914 0.099 0.000 3.578 238 V HA 0.632 4.784 4.120 0.054 0.000 0.290 238 V C 0.843 176.755 176.094 -0.303 0.000 1.376 238 V CA 1.221 63.556 62.300 0.058 0.000 1.083 238 V CB 0.257 32.100 31.823 0.034 0.000 0.911 238 V HN 0.904 nan 8.190 nan 0.000 0.433 239 G N -1.159 107.308 108.800 -0.556 0.000 2.506 239 G HA2 0.463 4.455 3.960 0.054 0.000 0.292 239 G HA3 0.463 4.455 3.960 0.054 0.000 0.292 239 G C -1.445 173.131 174.900 -0.540 0.000 1.425 239 G CA -0.290 44.207 45.100 -1.005 0.000 0.788 239 G HN -0.007 nan 8.290 nan 0.000 0.490 240 S N -0.073 115.421 115.700 -0.343 0.000 2.437 240 S HA 0.491 4.993 4.470 0.054 0.000 0.305 240 S C -0.321 174.247 174.600 -0.053 0.000 1.109 240 S CA -0.415 57.770 58.200 -0.024 0.000 1.099 240 S CB 1.652 64.958 63.200 0.176 0.000 1.004 240 S HN 0.586 nan 8.310 nan 0.000 0.475 241 E N 2.220 122.382 120.200 -0.064 0.000 2.324 241 E HA 0.310 4.692 4.350 0.054 0.000 0.271 241 E C -0.606 175.911 176.600 -0.137 0.000 1.028 241 E CA 0.344 56.690 56.400 -0.091 0.000 0.890 241 E CB 0.534 30.187 29.700 -0.079 0.000 1.004 241 E HN 0.448 nan 8.360 nan 0.000 0.431 242 T N 5.014 119.405 114.554 -0.271 0.000 2.876 242 T HA 0.499 4.881 4.350 0.054 0.000 0.289 242 T C -0.753 173.615 174.700 -0.553 0.000 1.014 242 T CA -0.756 61.090 62.100 -0.424 0.000 0.986 242 T CB 1.239 69.754 68.868 -0.589 0.000 1.021 242 T HN 0.323 nan 8.240 nan 0.000 0.458 243 R N 2.167 122.447 120.500 -0.367 0.000 2.513 243 R HA 0.672 5.044 4.340 0.054 0.000 0.301 243 R C -1.817 174.373 176.300 -0.183 0.000 0.968 243 R CA -0.510 55.430 56.100 -0.268 0.000 0.872 243 R CB 1.338 31.552 30.300 -0.144 0.000 1.177 243 R HN 0.452 nan 8.270 nan 0.000 0.444 244 V N 4.770 124.613 119.914 -0.117 0.000 2.448 244 V HA 0.389 4.542 4.120 0.054 0.000 0.295 244 V C -0.201 175.887 176.094 -0.010 0.000 1.025 244 V CA -0.808 61.476 62.300 -0.026 0.000 0.859 244 V CB 1.743 33.620 31.823 0.090 0.000 0.988 244 V HN 0.660 nan 8.190 nan 0.000 0.431 245 K N 2.948 123.332 120.400 -0.027 0.000 2.159 245 K HA 0.578 4.930 4.320 0.054 0.000 0.266 245 K C -0.856 175.727 176.600 -0.028 0.000 0.975 245 K CA -0.676 55.611 56.287 0.000 0.000 0.865 245 K CB 2.178 34.697 32.500 0.031 0.000 1.087 245 K HN 0.463 nan 8.250 nan 0.000 0.446 246 V N 4.677 124.579 119.914 -0.020 0.000 2.338 246 V HA -0.006 4.146 4.120 0.054 0.000 0.255 246 V C 1.133 177.132 176.094 -0.159 0.000 1.082 246 V CA -0.051 62.200 62.300 -0.082 0.000 0.951 246 V CB 0.705 32.480 31.823 -0.081 0.000 1.102 246 V HN 0.669 nan 8.190 nan 0.000 0.489 247 V N 3.717 123.553 119.914 -0.130 0.000 2.535 247 V HA 0.062 4.214 4.120 0.054 0.000 0.246 247 V C 0.981 176.899 176.094 -0.294 0.000 1.045 247 V CA 1.345 63.583 62.300 -0.104 0.000 1.058 247 V CB -0.094 31.772 31.823 0.072 0.000 0.689 247 V HN 0.785 nan 8.190 nan 0.000 0.461 248 K N 0.765 121.031 120.400 -0.223 0.000 2.427 248 K HA 0.411 4.763 4.320 0.054 0.000 0.252 248 K C -1.532 174.954 176.600 -0.189 0.000 0.931 248 K CA -0.591 55.560 56.287 -0.227 0.000 0.793 248 K CB 1.752 34.185 32.500 -0.111 0.000 1.211 248 K HN 0.137 nan 8.250 nan 0.000 0.426 249 N N 2.950 121.535 118.700 -0.193 0.000 2.519 249 N HA 0.220 4.992 4.740 0.054 0.000 0.291 249 N C -0.934 174.526 175.510 -0.083 0.000 1.107 249 N CA -0.377 52.598 53.050 -0.124 0.000 0.904 249 N CB 1.708 40.113 38.487 -0.136 0.000 1.500 249 N HN 0.634 nan 8.380 nan 0.000 0.510 250 K N 2.380 122.751 120.400 -0.048 0.000 2.358 250 K HA 0.294 4.646 4.320 0.054 0.000 0.197 250 K C 0.644 177.234 176.600 -0.017 0.000 1.025 250 K CA 0.168 56.439 56.287 -0.027 0.000 1.104 250 K CB 0.536 33.029 32.500 -0.012 0.000 0.855 250 K HN 0.396 nan 8.250 nan 0.000 0.531 251 I N -0.380 120.177 120.570 -0.021 0.000 4.312 251 I HA 0.197 4.400 4.170 0.054 0.000 0.324 251 I C -0.058 176.052 176.117 -0.012 0.000 1.298 251 I CA -0.080 61.213 61.300 -0.012 0.000 1.231 251 I CB 1.205 39.200 38.000 -0.009 0.000 1.152 251 I HN -0.055 nan 8.210 nan 0.000 0.421 252 A N -0.322 122.486 122.820 -0.021 0.000 2.536 252 A HA 0.839 5.191 4.320 0.054 0.000 0.293 252 A C -0.903 176.666 177.584 -0.026 0.000 1.119 252 A CA -0.211 51.817 52.037 -0.016 0.000 0.654 252 A CB -0.039 18.954 19.000 -0.011 0.000 1.291 252 A HN 0.066 nan 8.150 nan 0.000 0.439 253 A N 1.357 124.170 122.820 -0.012 0.000 2.540 253 A HA 0.546 4.898 4.320 0.054 0.000 0.239 253 A C -1.955 175.601 177.584 -0.048 0.000 1.061 253 A CA -0.247 51.785 52.037 -0.009 0.000 0.758 253 A CB -0.768 18.247 19.000 0.024 0.000 0.991 253 A HN 0.551 nan 8.150 nan 0.000 0.502 254 P HA 0.546 nan 4.420 nan 0.000 0.284 254 P C -0.209 176.993 177.300 -0.164 0.000 1.292 254 P CA -0.338 62.570 63.100 -0.320 0.000 0.800 254 P CB 0.212 31.473 31.700 -0.733 0.000 1.188 255 F N -4.438 115.515 119.950 0.005 0.000 2.746 255 F HA -0.195 4.364 4.527 0.054 0.000 0.315 255 F C 0.640 176.442 175.800 0.003 0.000 0.666 255 F CA 0.679 58.681 58.000 0.003 0.000 1.381 255 F CB -2.396 36.606 39.000 0.004 0.000 1.739 255 F HN 0.225 nan 8.300 nan 0.000 0.322 256 K N 1.222 121.688 120.400 0.110 0.000 2.126 256 K HA 0.545 4.897 4.320 0.054 0.000 0.257 256 K C 0.430 177.066 176.600 0.060 0.000 1.007 256 K CA -0.419 55.913 56.287 0.076 0.000 0.928 256 K CB 0.993 33.520 32.500 0.046 0.000 1.013 256 K HN 0.422 nan 8.250 nan 0.000 0.473 257 Q N -0.339 119.491 119.800 0.051 0.000 2.456 257 Q HA 0.745 5.117 4.340 0.054 0.000 0.283 257 Q C -1.717 174.310 176.000 0.044 0.000 1.084 257 Q CA -1.322 54.506 55.803 0.041 0.000 0.801 257 Q CB 2.098 30.855 28.738 0.031 0.000 1.434 257 Q HN 0.524 nan 8.270 nan 0.000 0.419 258 A N 1.385 124.238 122.820 0.055 0.000 2.374 258 A HA 0.569 4.922 4.320 0.054 0.000 0.305 258 A C -1.213 176.397 177.584 0.043 0.000 1.053 258 A CA -0.678 51.420 52.037 0.102 0.000 0.726 258 A CB 1.472 20.594 19.000 0.204 0.000 1.229 258 A HN 0.717 nan 8.150 nan 0.000 0.431 259 E N 1.266 121.484 120.200 0.030 0.000 2.171 259 E HA 0.668 5.050 4.350 0.054 0.000 0.271 259 E C -1.219 175.394 176.600 0.021 0.000 0.916 259 E CA -0.332 56.009 56.400 -0.099 0.000 0.774 259 E CB 1.883 31.539 29.700 -0.073 0.000 1.128 259 E HN 0.618 nan 8.360 nan 0.000 0.403 260 F N -1.086 118.855 119.950 -0.015 0.000 2.848 260 F HA 0.435 4.995 4.527 0.054 0.000 0.321 260 F C -1.187 174.603 175.800 -0.016 0.000 1.179 260 F CA -1.242 56.746 58.000 -0.020 0.000 0.932 260 F CB 1.007 39.996 39.000 -0.018 0.000 1.392 260 F HN 0.133 nan 8.300 nan 0.000 0.488 261 Q N 1.278 121.268 119.800 0.315 0.000 2.312 261 Q HA 0.628 5.001 4.340 0.054 0.000 0.263 261 Q C -1.197 174.959 176.000 0.260 0.000 0.995 261 Q CA -0.722 55.179 55.803 0.164 0.000 0.853 261 Q CB 2.948 31.725 28.738 0.065 0.000 1.300 261 Q HN 0.571 nan 8.270 nan 0.000 0.448 262 I N 3.921 124.588 120.570 0.161 0.000 2.306 262 I HA 0.220 4.423 4.170 0.054 0.000 0.288 262 I C -0.571 175.526 176.117 -0.033 0.000 1.036 262 I CA -0.436 60.956 61.300 0.152 0.000 1.221 262 I CB 0.582 38.721 38.000 0.230 0.000 1.385 262 I HN 0.381 nan 8.210 nan 0.000 0.472 263 L N 7.078 128.295 121.223 -0.010 0.000 2.265 263 L HA 0.303 4.675 4.340 0.054 0.000 0.288 263 L C -0.505 176.393 176.870 0.047 0.000 1.058 263 L CA -0.814 53.973 54.840 -0.088 0.000 0.809 263 L CB 0.140 42.191 42.059 -0.014 0.000 1.179 263 L HN 0.377 nan 8.230 nan 0.000 0.429 264 Y N 2.102 122.496 120.300 0.157 0.000 2.717 264 Y HA 0.178 4.760 4.550 0.054 0.000 0.330 264 Y C 1.513 177.543 175.900 0.216 0.000 1.217 264 Y CA 0.438 58.663 58.100 0.207 0.000 1.506 264 Y CB -0.052 38.500 38.460 0.154 0.000 1.268 264 Y HN 0.859 nan 8.280 nan 0.000 0.561 265 G N 1.800 110.914 108.800 0.525 0.000 2.184 265 G HA2 -0.371 3.622 3.960 0.054 0.000 0.264 265 G HA3 -0.371 3.622 3.960 0.054 0.000 0.264 265 G C 0.941 175.888 174.900 0.077 0.000 0.975 265 G CA 0.767 46.054 45.100 0.312 0.000 0.642 265 G HN 0.655 nan 8.290 nan 0.000 0.536 266 E N -1.079 119.167 120.200 0.076 0.000 2.357 266 E HA 0.463 4.845 4.350 0.054 0.000 0.202 266 E C 1.380 177.968 176.600 -0.021 0.000 0.855 266 E CA 1.309 57.719 56.400 0.016 0.000 1.048 266 E CB 0.617 30.344 29.700 0.045 0.000 1.037 266 E HN 1.663 nan 8.360 nan 0.000 0.499 267 G N 0.648 109.463 108.800 0.025 0.000 2.342 267 G HA2 -0.136 3.856 3.960 0.054 0.000 0.220 267 G HA3 -0.136 3.856 3.960 0.054 0.000 0.220 267 G C -0.740 174.191 174.900 0.051 0.000 1.243 267 G CA -0.445 44.666 45.100 0.018 0.000 1.083 267 G HN 0.159 nan 8.290 nan 0.000 0.500 268 I N 1.474 122.053 120.570 0.016 0.000 2.683 268 I HA 0.029 4.231 4.170 0.054 0.000 0.286 268 I C 0.737 176.869 176.117 0.024 0.000 1.175 268 I CA -0.167 61.133 61.300 -0.001 0.000 1.429 268 I CB 0.603 38.481 38.000 -0.203 0.000 1.371 268 I HN 0.458 nan 8.210 nan 0.000 0.569 269 N N 6.608 125.351 118.700 0.072 0.000 2.671 269 N HA -0.053 4.720 4.740 0.054 0.000 0.274 269 N C 0.502 176.035 175.510 0.038 0.000 1.188 269 N CA 0.267 53.360 53.050 0.071 0.000 1.065 269 N CB -0.081 38.450 38.487 0.072 0.000 1.415 269 N HN 0.508 nan 8.380 nan 0.000 0.511 270 F N 3.233 123.086 119.950 -0.163 0.000 2.128 270 F HA -0.094 4.465 4.527 0.054 0.000 0.295 270 F C 0.907 176.554 175.800 -0.255 0.000 1.100 270 F CA 1.374 59.202 58.000 -0.287 0.000 1.260 270 F CB -0.090 38.630 39.000 -0.466 0.000 1.009 270 F HN 0.399 nan 8.300 nan 0.000 0.476 271 Y N 0.437 120.782 120.300 0.075 0.000 2.373 271 Y HA 0.042 4.625 4.550 0.054 0.000 0.293 271 Y C 2.657 178.497 175.900 -0.099 0.000 1.129 271 Y CA 0.866 58.953 58.100 -0.022 0.000 1.226 271 Y CB -1.345 37.151 38.460 0.060 0.000 1.000 271 Y HN 0.132 nan 8.280 nan 0.000 0.549 272 G N 0.064 108.898 108.800 0.056 0.000 2.446 272 G HA2 -0.275 3.718 3.960 0.054 0.000 0.217 272 G HA3 -0.275 3.718 3.960 0.054 0.000 0.217 272 G C 1.512 176.375 174.900 -0.063 0.000 1.168 272 G CA 1.192 46.287 45.100 -0.007 0.000 0.771 272 G HN 0.408 nan 8.290 nan 0.000 0.551 273 E N -0.341 119.783 120.200 -0.128 0.000 2.058 273 E HA -0.130 4.252 4.350 0.054 0.000 0.194 273 E C 2.421 178.901 176.600 -0.200 0.000 0.997 273 E CA 0.861 57.160 56.400 -0.169 0.000 0.801 273 E CB -0.236 29.298 29.700 -0.277 0.000 0.746 273 E HN 0.297 nan 8.360 nan 0.000 0.450 274 L N 0.742 121.788 121.223 -0.296 0.000 2.042 274 L HA -0.192 4.180 4.340 0.054 0.000 0.210 274 L C 2.231 179.051 176.870 -0.084 0.000 1.076 274 L CA 1.392 56.102 54.840 -0.217 0.000 0.749 274 L CB -0.416 41.534 42.059 -0.182 0.000 0.893 274 L HN -0.019 nan 8.230 nan 0.000 0.432 275 V N -0.244 119.634 119.914 -0.060 0.000 2.233 275 V HA -0.334 3.819 4.120 0.054 0.000 0.247 275 V C 2.304 178.397 176.094 -0.001 0.000 1.050 275 V CA 2.110 64.379 62.300 -0.051 0.000 1.010 275 V CB -0.787 30.947 31.823 -0.148 0.000 0.637 275 V HN 0.432 nan 8.190 nan 0.000 0.444 276 D N -0.145 120.249 120.400 -0.010 0.000 2.123 276 D HA -0.129 4.544 4.640 0.054 0.000 0.196 276 D C 2.074 178.386 176.300 0.020 0.000 0.992 276 D CA 0.993 55.008 54.000 0.025 0.000 0.833 276 D CB -0.285 40.522 40.800 0.012 0.000 0.954 276 D HN 0.173 nan 8.370 nan 0.000 0.455 277 L N 0.536 121.750 121.223 -0.013 0.000 2.093 277 L HA -0.015 4.358 4.340 0.054 0.000 0.208 277 L C 2.467 179.344 176.870 0.011 0.000 1.085 277 L CA 1.499 56.332 54.840 -0.012 0.000 0.755 277 L CB -1.572 40.457 42.059 -0.049 0.000 0.904 277 L HN 0.074 nan 8.230 nan 0.000 0.435 278 G N -0.930 107.879 108.800 0.015 0.000 2.421 278 G HA2 -0.169 3.823 3.960 0.054 0.000 0.216 278 G HA3 -0.169 3.823 3.960 0.054 0.000 0.216 278 G C 1.765 176.712 174.900 0.079 0.000 1.171 278 G CA 0.885 46.012 45.100 0.045 0.000 0.775 278 G HN 0.239 nan 8.290 nan 0.000 0.543 279 V N 0.810 120.781 119.914 0.096 0.000 2.343 279 V HA -0.153 3.999 4.120 0.054 0.000 0.247 279 V C 2.710 178.846 176.094 0.070 0.000 1.051 279 V CA 2.215 64.582 62.300 0.111 0.000 1.036 279 V CB -0.357 31.564 31.823 0.162 0.000 0.654 279 V HN 0.396 nan 8.190 nan 0.000 0.451 280 K N -0.159 120.274 120.400 0.055 0.000 2.103 280 K HA -0.191 4.162 4.320 0.054 0.000 0.207 280 K C 1.690 178.311 176.600 0.036 0.000 1.048 280 K CA 1.396 57.706 56.287 0.039 0.000 0.930 280 K CB -0.004 32.514 32.500 0.029 0.000 0.716 280 K HN 0.361 nan 8.250 nan 0.000 0.444 281 E N 0.818 121.043 120.200 0.041 0.000 2.437 281 E HA -0.010 4.373 4.350 0.054 0.000 0.189 281 E C -0.251 176.379 176.600 0.050 0.000 1.054 281 E CA 0.121 56.546 56.400 0.041 0.000 0.874 281 E CB 0.480 30.204 29.700 0.039 0.000 1.011 281 E HN 0.182 nan 8.360 nan 0.000 0.474 282 K N -0.123 120.310 120.400 0.054 0.000 3.088 282 K HA -0.202 4.150 4.320 0.054 0.000 0.273 282 K C 0.935 177.583 176.600 0.079 0.000 1.111 282 K CA 0.467 56.788 56.287 0.056 0.000 0.803 282 K CB -2.188 30.334 32.500 0.037 0.000 1.226 282 K HN 0.276 nan 8.250 nan 0.000 0.485 283 L N -0.500 120.789 121.223 0.109 0.000 2.298 283 L HA 0.205 4.577 4.340 0.054 0.000 0.209 283 L C 1.176 178.203 176.870 0.262 0.000 1.084 283 L CA 0.545 55.491 54.840 0.176 0.000 0.816 283 L CB 0.135 42.300 42.059 0.177 0.000 0.967 283 L HN 0.116 nan 8.230 nan 0.000 0.460 284 I N -0.192 120.499 120.570 0.202 0.000 2.404 284 I HA 0.197 4.400 4.170 0.054 0.000 0.293 284 I C -0.177 176.033 176.117 0.154 0.000 0.992 284 I CA -0.612 60.824 61.300 0.227 0.000 1.149 284 I CB 2.133 40.257 38.000 0.207 0.000 1.315 284 I HN -0.104 nan 8.210 nan 0.000 0.446 285 E N 5.673 125.948 120.200 0.125 0.000 2.331 285 E HA 0.220 4.602 4.350 0.054 0.000 0.272 285 E C -0.678 175.927 176.600 0.008 0.000 1.036 285 E CA -0.171 56.260 56.400 0.052 0.000 0.864 285 E CB 0.904 30.620 29.700 0.026 0.000 1.035 285 E HN 0.289 nan 8.360 nan 0.000 0.408 286 K N 2.671 123.028 120.400 -0.072 0.000 2.572 286 K HA 0.492 4.844 4.320 0.054 0.000 0.244 286 K C -1.613 174.896 176.600 -0.151 0.000 0.965 286 K CA -0.617 55.526 56.287 -0.240 0.000 0.943 286 K CB 1.083 33.386 32.500 -0.329 0.000 1.154 286 K HN 0.505 nan 8.250 nan 0.000 0.447 287 A N 3.440 126.203 122.820 -0.096 0.000 2.880 287 A HA 0.548 4.901 4.320 0.054 0.000 0.328 287 A C 0.873 178.455 177.584 -0.004 0.000 1.440 287 A CA 0.390 52.411 52.037 -0.026 0.000 1.068 287 A CB -0.227 18.782 19.000 0.014 0.000 1.163 287 A HN 1.045 nan 8.150 nan 0.000 0.510 288 G N 1.563 110.330 108.800 -0.055 0.000 3.274 288 G HA2 -0.122 3.870 3.960 0.054 0.000 0.313 288 G HA3 -0.122 3.870 3.960 0.054 0.000 0.313 288 G C 1.323 176.153 174.900 -0.116 0.000 1.295 288 G CA 0.853 45.923 45.100 -0.050 0.000 1.004 288 G HN 1.913 nan 8.290 nan 0.000 0.614 289 A N -0.866 121.895 122.820 -0.098 0.000 2.343 289 A HA 0.528 4.880 4.320 0.054 0.000 0.223 289 A C 0.565 177.989 177.584 -0.267 0.000 1.214 289 A CA 0.436 52.361 52.037 -0.186 0.000 0.900 289 A CB 0.093 18.984 19.000 -0.183 0.000 0.942 289 A HN 0.572 nan 8.150 nan 0.000 0.507 290 W N 0.038 121.244 121.300 -0.156 0.000 2.358 290 W HA 0.496 5.188 4.660 0.054 0.000 0.307 290 W C -0.830 175.569 176.519 -0.200 0.000 1.203 290 W CA -0.077 57.207 57.345 -0.102 0.000 1.279 290 W CB 0.317 29.736 29.460 -0.069 0.000 1.264 290 W HN 0.237 nan 8.180 nan 0.000 0.474 291 Y N 2.935 123.355 120.300 0.200 0.000 2.341 291 Y HA 0.373 4.955 4.550 0.054 0.000 0.340 291 Y C 0.544 176.496 175.900 0.086 0.000 0.997 291 Y CA -0.245 57.913 58.100 0.098 0.000 1.149 291 Y CB 1.035 39.504 38.460 0.015 0.000 1.171 291 Y HN 0.144 nan 8.280 nan 0.000 0.494 292 S N 2.890 118.689 115.700 0.164 0.000 2.532 292 S HA 0.436 4.938 4.470 0.054 0.000 0.301 292 S C -1.798 172.864 174.600 0.103 0.000 1.083 292 S CA -0.796 57.444 58.200 0.067 0.000 1.025 292 S CB 1.331 64.539 63.200 0.013 0.000 1.056 292 S HN 0.501 nan 8.310 nan 0.000 0.494 293 Y N 2.481 122.707 120.300 -0.122 0.000 2.326 293 Y HA 0.360 4.942 4.550 0.054 0.000 0.329 293 Y C -0.078 175.793 175.900 -0.048 0.000 0.973 293 Y CA -1.086 56.967 58.100 -0.078 0.000 1.162 293 Y CB 0.487 38.882 38.460 -0.109 0.000 1.147 293 Y HN 0.806 nan 8.280 nan 0.000 0.456 294 K N 5.048 125.151 120.400 -0.494 0.000 3.278 294 K HA -0.263 4.089 4.320 0.054 0.000 0.270 294 K C 0.989 177.464 176.600 -0.208 0.000 0.955 294 K CA 0.976 57.012 56.287 -0.419 0.000 0.723 294 K CB -1.623 30.511 32.500 -0.610 0.000 1.382 294 K HN 1.323 nan 8.250 nan 0.000 0.461 295 G N 0.232 108.949 108.800 -0.138 0.000 2.417 295 G HA2 -0.400 3.592 3.960 0.054 0.000 0.233 295 G HA3 -0.400 3.592 3.960 0.054 0.000 0.233 295 G C 0.008 174.852 174.900 -0.093 0.000 1.103 295 G CA 0.515 45.555 45.100 -0.100 0.000 0.647 295 G HN 0.552 nan 8.290 nan 0.000 0.512 296 E N 1.941 122.088 120.200 -0.088 0.000 2.344 296 E HA 0.332 4.715 4.350 0.054 0.000 0.270 296 E C 0.126 176.660 176.600 -0.111 0.000 1.021 296 E CA -0.339 56.014 56.400 -0.077 0.000 0.887 296 E CB 0.237 29.921 29.700 -0.028 0.000 0.997 296 E HN 0.386 nan 8.360 nan 0.000 0.429 297 K N 4.974 125.306 120.400 -0.113 0.000 2.322 297 K HA 0.144 4.497 4.320 0.054 0.000 0.283 297 K C 0.953 177.461 176.600 -0.154 0.000 1.042 297 K CA -0.018 56.224 56.287 -0.075 0.000 0.958 297 K CB 0.776 33.206 32.500 -0.117 0.000 0.984 297 K HN 0.568 nan 8.250 nan 0.000 0.473 298 I N -1.841 118.584 120.570 -0.242 0.000 4.181 298 I HA 0.307 4.509 4.170 0.054 0.000 0.331 298 I C 0.555 176.515 176.117 -0.262 0.000 1.312 298 I CA -0.312 60.546 61.300 -0.737 0.000 1.146 298 I CB 0.962 38.157 38.000 -1.343 0.000 1.074 298 I HN 0.596 nan 8.210 nan 0.000 0.402 299 G N 1.158 109.997 108.800 0.066 0.000 2.361 299 G HA2 0.207 4.199 3.960 0.054 0.000 0.299 299 G HA3 0.207 4.199 3.960 0.054 0.000 0.299 299 G C -2.142 172.705 174.900 -0.090 0.000 1.544 299 G CA -0.699 44.427 45.100 0.042 0.000 0.860 299 G HN 0.194 nan 8.290 nan 0.000 0.610 300 Q N 0.186 119.727 119.800 -0.431 0.000 2.325 300 Q HA 0.558 4.930 4.340 0.054 0.000 0.262 300 Q C 0.357 176.204 176.000 -0.254 0.000 0.968 300 Q CA 0.423 55.814 55.803 -0.687 0.000 0.877 300 Q CB 1.264 29.272 28.738 -1.216 0.000 1.253 300 Q HN 2.409 nan 8.270 nan 0.000 0.448 301 G N 3.011 111.792 108.800 -0.033 0.000 2.767 301 G HA2 -0.260 3.732 3.960 0.054 0.000 0.686 301 G HA3 -0.260 3.732 3.960 0.054 0.000 0.686 301 G C 0.088 174.997 174.900 0.014 0.000 1.213 301 G CA 0.018 45.160 45.100 0.070 0.000 0.803 301 G HN 0.814 nan 8.290 nan 0.000 0.603 302 K N 1.165 121.569 120.400 0.007 0.000 2.127 302 K HA -0.104 4.248 4.320 0.054 0.000 0.208 302 K C 2.927 179.406 176.600 -0.202 0.000 1.047 302 K CA 2.601 58.725 56.287 -0.272 0.000 0.927 302 K CB -0.323 32.123 32.500 -0.091 0.000 0.716 302 K HN 1.172 nan 8.250 nan 0.000 0.450 303 A N 1.183 123.944 122.820 -0.098 0.000 1.873 303 A HA -0.261 4.092 4.320 0.054 0.000 0.218 303 A C 1.776 179.321 177.584 -0.066 0.000 1.193 303 A CA 2.228 54.226 52.037 -0.065 0.000 0.629 303 A CB -0.865 18.110 19.000 -0.041 0.000 0.826 303 A HN 0.557 nan 8.150 nan 0.000 0.447 304 N N -0.366 118.288 118.700 -0.078 0.000 2.216 304 N HA 0.063 4.835 4.740 0.054 0.000 0.183 304 N C 1.917 177.411 175.510 -0.027 0.000 1.017 304 N CA 1.007 54.031 53.050 -0.043 0.000 0.861 304 N CB -0.254 38.201 38.487 -0.054 0.000 0.986 304 N HN 0.483 nan 8.380 nan 0.000 0.428 305 A N 0.431 123.167 122.820 -0.140 0.000 1.940 305 A HA -0.161 4.191 4.320 0.054 0.000 0.219 305 A C 2.214 179.769 177.584 -0.050 0.000 1.176 305 A CA 1.816 53.755 52.037 -0.163 0.000 0.631 305 A CB -1.068 17.588 19.000 -0.573 0.000 0.814 305 A HN 0.235 nan 8.150 nan 0.000 0.446 306 T N 0.371 114.872 114.554 -0.088 0.000 2.708 306 T HA -0.048 4.334 4.350 0.054 0.000 0.266 306 T C 2.213 176.899 174.700 -0.024 0.000 1.037 306 T CA 1.662 63.751 62.100 -0.018 0.000 1.146 306 T CB -0.480 68.385 68.868 -0.005 0.000 0.865 306 T HN 0.613 nan 8.240 nan 0.000 0.435 307 A N 0.166 122.981 122.820 -0.009 0.000 1.972 307 A HA -0.095 4.257 4.320 0.054 0.000 0.219 307 A C 2.039 179.608 177.584 -0.026 0.000 1.169 307 A CA 1.362 53.384 52.037 -0.024 0.000 0.635 307 A CB -1.083 17.919 19.000 0.005 0.000 0.810 307 A HN 0.706 nan 8.150 nan 0.000 0.446 308 W N 0.420 121.646 121.300 -0.124 0.000 2.388 308 W HA -0.097 4.595 4.660 0.054 0.000 0.294 308 W C 1.715 178.133 176.519 -0.169 0.000 1.212 308 W CA 1.728 59.010 57.345 -0.106 0.000 1.271 308 W CB -0.160 29.269 29.460 -0.053 0.000 1.126 308 W HN 0.252 nan 8.180 nan 0.000 0.535 309 L N 0.435 121.632 121.223 -0.043 0.000 2.156 309 L HA -0.175 4.197 4.340 0.054 0.000 0.208 309 L C 2.462 178.884 176.870 -0.747 0.000 1.095 309 L CA 1.298 55.959 54.840 -0.298 0.000 0.770 309 L CB -0.745 41.254 42.059 -0.101 0.000 0.914 309 L HN -0.109 nan 8.230 nan 0.000 0.439 310 K N 0.095 119.993 120.400 -0.836 0.000 2.063 310 K HA -0.213 4.139 4.320 0.054 0.000 0.208 310 K C 1.611 177.938 176.600 -0.455 0.000 1.048 310 K CA 1.875 57.707 56.287 -0.758 0.000 0.928 310 K CB -0.149 32.109 32.500 -0.402 0.000 0.713 310 K HN 0.225 nan 8.250 nan 0.000 0.442 311 D N 0.314 120.461 120.400 -0.423 0.000 2.178 311 D HA -0.066 4.606 4.640 0.054 0.000 0.202 311 D C -0.188 175.833 176.300 -0.465 0.000 0.974 311 D CA 0.959 54.725 54.000 -0.389 0.000 0.841 311 D CB 0.006 40.575 40.800 -0.385 0.000 0.953 311 D HN 0.137 nan 8.370 nan 0.000 0.478 312 N N 0.038 118.352 118.700 -0.643 0.000 2.976 312 N HA 0.202 4.975 4.740 0.054 0.000 0.255 312 N C -2.179 173.119 175.510 -0.353 0.000 1.312 312 N CA -1.092 51.612 53.050 -0.577 0.000 0.897 312 N CB 1.698 39.589 38.487 -0.993 0.000 1.184 312 N HN -0.029 nan 8.380 nan 0.000 0.497 313 P HA -0.110 nan 4.420 nan 0.000 0.221 313 P C 0.881 178.158 177.300 -0.037 0.000 1.150 313 P CA 1.012 64.057 63.100 -0.092 0.000 0.800 313 P CB 0.453 32.118 31.700 -0.057 0.000 0.787 314 E N -0.561 119.602 120.200 -0.062 0.000 2.072 314 E HA -0.091 4.291 4.350 0.054 0.000 0.191 314 E C 1.720 178.325 176.600 0.007 0.000 0.985 314 E CA 1.469 57.858 56.400 -0.018 0.000 0.801 314 E CB -1.765 27.922 29.700 -0.020 0.000 0.750 314 E HN 0.258 nan 8.360 nan 0.000 0.452 315 T N 1.707 116.250 114.554 -0.019 0.000 2.857 315 T HA 0.018 4.400 4.350 0.054 0.000 0.266 315 T C 2.078 176.782 174.700 0.006 0.000 1.048 315 T CA 1.300 63.418 62.100 0.030 0.000 1.139 315 T CB -0.229 68.675 68.868 0.060 0.000 0.874 315 T HN 0.310 nan 8.240 nan 0.000 0.455 316 A N 2.328 125.151 122.820 0.006 0.000 1.883 316 A HA -0.147 4.206 4.320 0.054 0.000 0.217 316 A C 2.315 179.973 177.584 0.123 0.000 1.186 316 A CA 1.270 53.367 52.037 0.100 0.000 0.624 316 A CB -0.363 18.774 19.000 0.228 0.000 0.822 316 A HN 0.205 nan 8.150 nan 0.000 0.444 317 K N -0.188 120.273 120.400 0.102 0.000 2.063 317 K HA -0.198 4.154 4.320 0.054 0.000 0.208 317 K C 1.935 178.580 176.600 0.075 0.000 1.048 317 K CA 1.664 58.004 56.287 0.088 0.000 0.928 317 K CB -0.485 32.048 32.500 0.056 0.000 0.713 317 K HN 0.793 nan 8.250 nan 0.000 0.442 318 E N 0.661 120.903 120.200 0.070 0.000 2.051 318 E HA -0.144 4.239 4.350 0.054 0.000 0.192 318 E C 2.123 178.771 176.600 0.080 0.000 0.991 318 E CA 0.950 57.400 56.400 0.082 0.000 0.799 318 E CB -0.023 29.745 29.700 0.114 0.000 0.748 318 E HN 0.232 nan 8.360 nan 0.000 0.449 319 I N 0.964 121.561 120.570 0.044 0.000 2.226 319 I HA -0.233 3.969 4.170 0.054 0.000 0.245 319 I C 2.713 178.854 176.117 0.040 0.000 1.100 319 I CA 1.159 62.472 61.300 0.022 0.000 1.374 319 I CB -0.411 37.538 38.000 -0.083 0.000 1.057 319 I HN 0.243 nan 8.210 nan 0.000 0.413 320 E N 1.687 121.920 120.200 0.055 0.000 2.058 320 E HA -0.311 4.072 4.350 0.054 0.000 0.194 320 E C 2.245 178.880 176.600 0.057 0.000 0.997 320 E CA 1.556 57.993 56.400 0.062 0.000 0.801 320 E CB -0.013 29.767 29.700 0.133 0.000 0.746 320 E HN 0.326 nan 8.360 nan 0.000 0.450 321 K N 0.631 121.069 120.400 0.062 0.000 2.063 321 K HA -0.216 4.136 4.320 0.054 0.000 0.208 321 K C 2.122 178.751 176.600 0.048 0.000 1.048 321 K CA 1.720 58.038 56.287 0.053 0.000 0.928 321 K CB 0.035 32.566 32.500 0.052 0.000 0.713 321 K HN -0.039 nan 8.250 nan 0.000 0.442 322 K N -0.047 120.386 120.400 0.056 0.000 2.057 322 K HA -0.068 4.284 4.320 0.054 0.000 0.206 322 K C 1.967 178.594 176.600 0.044 0.000 1.050 322 K CA 1.100 57.420 56.287 0.056 0.000 0.935 322 K CB 0.067 32.613 32.500 0.076 0.000 0.715 322 K HN -0.038 nan 8.250 nan 0.000 0.439 323 V N 1.327 121.264 119.914 0.038 0.000 2.287 323 V HA -0.279 3.874 4.120 0.054 0.000 0.248 323 V C 2.186 178.292 176.094 0.020 0.000 1.053 323 V CA 1.753 64.067 62.300 0.023 0.000 1.027 323 V CB -0.434 31.391 31.823 0.003 0.000 0.646 323 V HN 0.280 nan 8.190 nan 0.000 0.447 324 R N -0.245 120.269 120.500 0.024 0.000 2.073 324 R HA -0.185 4.187 4.340 0.054 0.000 0.234 324 R C 2.353 178.667 176.300 0.023 0.000 1.134 324 R CA 1.827 57.941 56.100 0.023 0.000 0.952 324 R CB -0.350 29.968 30.300 0.030 0.000 0.850 324 R HN 0.603 nan 8.270 nan 0.000 0.433 325 E N 0.599 120.815 120.200 0.027 0.000 2.085 325 E HA -0.204 4.179 4.350 0.054 0.000 0.194 325 E C 2.018 178.632 176.600 0.024 0.000 0.994 325 E CA 1.159 57.575 56.400 0.026 0.000 0.801 325 E CB -0.096 29.622 29.700 0.030 0.000 0.743 325 E HN 0.281 nan 8.360 nan 0.000 0.453 326 L N 0.004 121.243 121.223 0.026 0.000 2.141 326 L HA -0.136 4.236 4.340 0.054 0.000 0.209 326 L C 2.029 178.912 176.870 0.020 0.000 1.094 326 L CA 0.862 55.716 54.840 0.024 0.000 0.763 326 L CB 0.037 42.112 42.059 0.027 0.000 0.908 326 L HN 0.165 nan 8.230 nan 0.000 0.437 327 L N -1.449 119.786 121.223 0.019 0.000 2.781 327 L HA 0.189 4.561 4.340 0.054 0.000 0.245 327 L C 0.354 177.233 176.870 0.015 0.000 1.118 327 L CA -0.279 54.571 54.840 0.016 0.000 0.918 327 L CB 0.567 42.634 42.059 0.014 0.000 1.246 327 L HN 0.052 nan 8.230 nan 0.000 0.526 328 L N 1.058 122.291 121.223 0.016 0.000 2.385 328 L HA 0.069 4.441 4.340 0.054 0.000 0.281 328 L C 1.482 178.361 176.870 0.014 0.000 1.106 328 L CA -0.113 54.736 54.840 0.014 0.000 0.856 328 L CB 1.287 43.355 42.059 0.014 0.000 1.186 328 L HN 0.202 nan 8.230 nan 0.000 0.453 329 S N 1.371 117.079 115.700 0.013 0.000 2.436 329 S HA -0.002 4.500 4.470 0.054 0.000 0.228 329 S C 0.810 175.417 174.600 0.011 0.000 1.014 329 S CA 0.202 58.410 58.200 0.013 0.000 0.950 329 S CB 0.042 63.250 63.200 0.015 0.000 0.784 329 S HN 0.707 nan 8.310 nan 0.000 0.504 330 N N 2.812 121.518 118.700 0.010 0.000 2.813 330 N HA 0.311 5.083 4.740 0.054 0.000 0.282 330 N C -3.203 172.312 175.510 0.008 0.000 1.748 330 N CA -0.746 52.309 53.050 0.008 0.000 0.860 330 N CB 1.671 40.162 38.487 0.005 0.000 1.204 330 N HN 0.360 nan 8.380 nan 0.000 0.490 331 P HA 0.304 nan 4.420 nan 0.000 0.290 331 P C -0.118 177.187 177.300 0.009 0.000 1.276 331 P CA -0.174 62.932 63.100 0.010 0.000 0.808 331 P CB 1.683 33.390 31.700 0.012 0.000 0.966 332 N N -0.153 118.552 118.700 0.008 0.000 1.837 332 N HA 0.019 4.791 4.740 0.054 0.000 0.228 332 N C -0.629 174.884 175.510 0.006 0.000 1.442 332 N CA 0.054 53.108 53.050 0.007 0.000 0.706 332 N CB 0.506 38.996 38.487 0.006 0.000 1.030 332 N HN 0.396 nan 8.380 nan 0.000 0.553 1002 I N 1.403 121.972 120.570 -0.002 0.000 2.494 1002 I HA 0.009 4.211 4.170 0.054 0.000 0.250 1002 I C 1.821 177.936 176.117 -0.003 0.000 1.112 1002 I CA 1.516 62.814 61.300 -0.002 0.000 1.438 1002 I CB -0.186 37.813 38.000 -0.002 0.000 1.111 1002 I HN 0.427 nan 8.210 nan 0.000 0.431 1003 D N 0.623 121.021 120.400 -0.003 0.000 2.348 1003 D HA -0.104 4.568 4.640 0.054 0.000 0.211 1003 D C 1.617 177.916 176.300 -0.003 0.000 0.998 1003 D CA 0.587 54.585 54.000 -0.004 0.000 0.873 1003 D CB -0.277 40.520 40.800 -0.005 0.000 0.925 1003 D HN 0.334 nan 8.370 nan 0.000 0.524 1004 E N 0.076 120.275 120.200 -0.003 0.000 2.158 1004 E HA -0.012 4.370 4.350 0.054 0.000 0.191 1004 E C 1.640 178.239 176.600 -0.001 0.000 0.982 1004 E CA 0.387 56.786 56.400 -0.002 0.000 0.823 1004 E CB 0.005 29.704 29.700 -0.002 0.000 0.766 1004 E HN 0.164 nan 8.360 nan 0.000 0.468 1005 N N 0.892 119.592 118.700 -0.001 0.000 2.244 1005 N HA -0.122 4.650 4.740 0.054 0.000 0.183 1005 N C 1.387 176.897 175.510 -0.000 0.000 1.016 1005 N CA 0.938 53.987 53.050 -0.000 0.000 0.866 1005 N CB 0.057 38.544 38.487 -0.000 0.000 0.980 1005 N HN 0.150 nan 8.380 nan 0.000 0.430 1006 K N 0.966 121.366 120.400 -0.001 0.000 2.026 1006 K HA -0.086 4.266 4.320 0.054 0.000 0.208 1006 K C 2.053 178.653 176.600 -0.000 0.000 1.048 1006 K CA 1.027 57.314 56.287 -0.001 0.000 0.929 1006 K CB -0.061 32.438 32.500 -0.002 0.000 0.713 1006 K HN 0.290 nan 8.250 nan 0.000 0.439 1007 Q N 0.699 120.498 119.800 -0.001 0.000 2.119 1007 Q HA -0.161 4.211 4.340 0.054 0.000 0.201 1007 Q C 2.113 178.114 176.000 0.001 0.000 0.972 1007 Q CA 1.174 56.977 55.803 -0.000 0.000 0.847 1007 Q CB -0.046 28.692 28.738 -0.001 0.000 0.903 1007 Q HN 0.231 nan 8.270 nan 0.000 0.433 1008 K N 0.738 121.139 120.400 0.001 0.000 2.044 1008 K HA -0.192 4.160 4.320 0.054 0.000 0.210 1008 K C 1.916 178.517 176.600 0.002 0.000 1.049 1008 K CA 1.462 57.750 56.287 0.001 0.000 0.927 1008 K CB -0.129 32.371 32.500 0.001 0.000 0.713 1008 K HN 0.165 nan 8.250 nan 0.000 0.443 1009 A N 0.797 123.619 122.820 0.002 0.000 2.016 1009 A HA -0.025 4.327 4.320 0.054 0.000 0.217 1009 A C 1.961 179.548 177.584 0.005 0.000 1.162 1009 A CA 0.735 52.774 52.037 0.004 0.000 0.662 1009 A CB -0.371 18.631 19.000 0.003 0.000 0.812 1009 A HN 0.395 nan 8.150 nan 0.000 0.450 1010 L N -0.061 121.165 121.223 0.004 0.000 1.988 1010 L HA -0.030 4.343 4.340 0.054 0.000 0.207 1010 L C 2.674 179.548 176.870 0.008 0.000 1.071 1010 L CA 2.264 57.108 54.840 0.006 0.000 0.744 1010 L CB -0.684 41.377 42.059 0.004 0.000 0.893 1010 L HN 0.292 nan 8.230 nan 0.000 0.433 1011 A N -0.290 122.534 122.820 0.007 0.000 1.940 1011 A HA -0.192 4.160 4.320 0.054 0.000 0.219 1011 A C 2.446 180.035 177.584 0.009 0.000 1.176 1011 A CA 2.024 54.065 52.037 0.008 0.000 0.631 1011 A CB -1.316 17.687 19.000 0.005 0.000 0.814 1011 A HN 0.655 nan 8.150 nan 0.000 0.446 1012 A N -0.270 122.554 122.820 0.007 0.000 1.908 1012 A HA 0.114 4.466 4.320 0.054 0.000 0.218 1012 A C 2.495 180.086 177.584 0.010 0.000 1.181 1012 A CA 2.267 54.308 52.037 0.007 0.000 0.627 1012 A CB -0.948 18.055 19.000 0.005 0.000 0.818 1012 A HN 1.074 nan 8.150 nan 0.000 0.445 1013 A N -0.917 121.911 122.820 0.014 0.000 1.897 1013 A HA 0.112 4.464 4.320 0.054 0.000 0.215 1013 A C 2.033 179.636 177.584 0.031 0.000 1.181 1013 A CA 1.454 53.504 52.037 0.022 0.000 0.620 1013 A CB -0.529 18.484 19.000 0.021 0.000 0.821 1013 A HN 0.383 nan 8.150 nan 0.000 0.443 1014 L N 0.065 121.304 121.223 0.027 0.000 2.046 1014 L HA -0.087 4.285 4.340 0.054 0.000 0.208 1014 L C 2.732 179.621 176.870 0.033 0.000 1.077 1014 L CA 1.877 56.736 54.840 0.033 0.000 0.747 1014 L CB -0.918 41.156 42.059 0.025 0.000 0.896 1014 L HN 0.415 nan 8.230 nan 0.000 0.432 1015 G N -1.350 107.463 108.800 0.021 0.000 2.421 1015 G HA2 -0.355 3.637 3.960 0.054 0.000 0.216 1015 G HA3 -0.355 3.637 3.960 0.054 0.000 0.216 1015 G C 1.498 176.404 174.900 0.009 0.000 1.171 1015 G CA 0.903 46.011 45.100 0.014 0.000 0.775 1015 G HN 0.432 nan 8.290 nan 0.000 0.543 1016 Q N 0.623 120.428 119.800 0.009 0.000 2.096 1016 Q HA -0.063 4.309 4.340 0.054 0.000 0.204 1016 Q C 2.309 178.308 176.000 -0.001 0.000 0.982 1016 Q CA 1.561 57.362 55.803 -0.004 0.000 0.850 1016 Q CB -0.485 28.255 28.738 0.003 0.000 0.901 1016 Q HN 0.539 nan 8.270 nan 0.000 0.422 1017 I N 0.392 120.996 120.570 0.056 0.000 2.179 1017 I HA -0.233 3.969 4.170 0.054 0.000 0.242 1017 I C 2.331 178.530 176.117 0.137 0.000 1.088 1017 I CA 1.617 63.007 61.300 0.151 0.000 1.357 1017 I CB -0.356 37.750 38.000 0.177 0.000 1.051 1017 I HN 0.331 nan 8.210 nan 0.000 0.409 1018 E N 0.637 120.886 120.200 0.082 0.000 2.106 1018 E HA -0.239 4.143 4.350 0.054 0.000 0.192 1018 E C 2.093 178.704 176.600 0.019 0.000 0.984 1018 E CA 0.871 57.312 56.400 0.068 0.000 0.806 1018 E CB -0.074 29.655 29.700 0.048 0.000 0.750 1018 E HN 0.381 nan 8.360 nan 0.000 0.458 1019 K N 0.673 121.061 120.400 -0.019 0.000 2.217 1019 K HA -0.119 4.233 4.320 0.054 0.000 0.202 1019 K C 2.085 178.610 176.600 -0.125 0.000 1.051 1019 K CA 0.816 57.071 56.287 -0.053 0.000 0.952 1019 K CB 0.199 32.670 32.500 -0.049 0.000 0.736 1019 K HN 0.097 nan 8.250 nan 0.000 0.453 1020 Q N -1.143 118.523 119.800 -0.223 0.000 2.165 1020 Q HA -0.016 4.356 4.340 0.054 0.000 0.197 1020 Q C 0.488 176.115 176.000 -0.622 0.000 0.952 1020 Q CA 0.915 56.401 55.803 -0.529 0.000 0.848 1020 Q CB 0.392 28.606 28.738 -0.872 0.000 0.931 1020 Q HN 0.222 nan 8.270 nan 0.000 0.470 1021 F N -0.350 119.606 119.950 0.010 0.000 2.735 1021 F HA 0.378 4.937 4.527 0.054 0.000 0.304 1021 F C 0.757 176.567 175.800 0.015 0.000 1.119 1021 F CA 0.228 58.236 58.000 0.013 0.000 1.280 1021 F CB 0.973 39.982 39.000 0.014 0.000 0.994 1021 F HN 0.037 nan 8.300 nan 0.000 0.520 1022 G N 0.439 109.305 108.800 0.109 0.000 2.710 1022 G HA2 -0.205 3.787 3.960 0.054 0.000 0.668 1022 G HA3 -0.205 3.787 3.960 0.054 0.000 0.668 1022 G C 0.782 175.725 174.900 0.072 0.000 1.320 1022 G CA -0.589 44.558 45.100 0.078 0.000 0.860 1022 G HN -0.008 nan 8.290 nan 0.000 0.538 1023 K N 0.096 120.528 120.400 0.053 0.000 1.976 1023 K HA -0.185 4.167 4.320 0.054 0.000 0.233 1023 K C 1.966 178.595 176.600 0.049 0.000 1.012 1023 K CA 2.171 58.484 56.287 0.043 0.000 1.049 1023 K CB -0.958 31.564 32.500 0.037 0.000 0.722 1023 K HN 1.507 nan 8.250 nan 0.000 0.465 1024 G N 0.980 109.811 108.800 0.052 0.000 4.637 1024 G HA2 0.204 4.196 3.960 0.054 0.000 0.308 1024 G HA3 0.204 4.196 3.960 0.054 0.000 0.308 1024 G C 0.876 175.810 174.900 0.057 0.000 1.377 1024 G CA 0.092 45.221 45.100 0.049 0.000 1.176 1024 G HN 0.322 nan 8.290 nan 0.000 0.601 1025 S N -0.068 115.677 115.700 0.076 0.000 2.423 1025 S HA 0.117 4.619 4.470 0.054 0.000 0.231 1025 S C 0.803 175.435 174.600 0.052 0.000 1.014 1025 S CA 0.327 58.575 58.200 0.081 0.000 0.965 1025 S CB 0.335 63.624 63.200 0.148 0.000 0.785 1025 S HN 0.443 nan 8.310 nan 0.000 0.495 1026 I N 1.314 121.917 120.570 0.055 0.000 2.607 1026 I HA 0.593 4.795 4.170 0.054 0.000 0.290 1026 I C -1.252 174.886 176.117 0.034 0.000 1.129 1026 I CA -1.287 60.036 61.300 0.038 0.000 1.042 1026 I CB 1.896 39.919 38.000 0.039 0.000 1.242 1026 I HN 0.376 nan 8.210 nan 0.000 0.421 1027 M N 4.364 123.980 119.600 0.027 0.000 2.880 1027 M HA 0.589 5.101 4.480 0.054 0.000 0.269 1027 M C -1.252 175.059 176.300 0.018 0.000 1.248 1027 M CA -1.090 54.223 55.300 0.022 0.000 0.821 1027 M CB 1.459 34.072 32.600 0.021 0.000 1.650 1027 M HN 0.294 nan 8.290 nan 0.000 0.479 1028 R N 1.133 121.640 120.500 0.012 0.000 2.442 1028 R HA 0.297 4.669 4.340 0.054 0.000 0.291 1028 R C 0.964 177.265 176.300 0.000 0.000 1.069 1028 R CA -0.161 55.942 56.100 0.005 0.000 1.022 1028 R CB 0.354 30.655 30.300 0.001 0.000 0.976 1028 R HN 0.703 nan 8.270 nan 0.000 0.443 1029 L N 2.298 123.516 121.223 -0.008 0.000 2.043 1029 L HA -0.186 4.187 4.340 0.054 0.000 0.212 1029 L C 1.796 178.654 176.870 -0.019 0.000 1.075 1029 L CA 2.200 57.028 54.840 -0.020 0.000 0.752 1029 L CB -0.500 41.529 42.059 -0.049 0.000 0.891 1029 L HN 0.993 nan 8.230 nan 0.000 0.432 1030 G N -0.315 108.474 108.800 -0.019 0.000 2.470 1030 G HA2 -0.259 3.734 3.960 0.054 0.000 0.220 1030 G HA3 -0.259 3.734 3.960 0.054 0.000 0.220 1030 G C 1.189 176.084 174.900 -0.008 0.000 1.121 1030 G CA 0.859 45.949 45.100 -0.016 0.000 0.766 1030 G HN 0.724 nan 8.290 nan 0.000 0.553 1031 E N -0.292 119.906 120.200 -0.004 0.000 2.498 1031 E HA 0.086 4.469 4.350 0.054 0.000 0.203 1031 E C -0.297 176.306 176.600 0.005 0.000 1.013 1031 E CA -0.436 55.964 56.400 0.001 0.000 0.927 1031 E CB 0.233 29.934 29.700 0.002 0.000 1.012 1031 E HN 0.137 nan 8.360 nan 0.000 0.482 1032 D N 1.794 122.197 120.400 0.005 0.000 2.344 1032 D HA 0.042 4.714 4.640 0.054 0.000 0.253 1032 D C 0.723 177.029 176.300 0.010 0.000 1.255 1032 D CA -0.138 53.868 54.000 0.010 0.000 0.894 1032 D CB 0.801 41.608 40.800 0.011 0.000 1.067 1032 D HN -0.060 nan 8.370 nan 0.000 0.492 1033 R N 1.697 122.205 120.500 0.013 0.000 2.090 1033 R HA -0.077 4.295 4.340 0.054 0.000 0.228 1033 R C 1.914 178.225 176.300 0.017 0.000 1.110 1033 R CA 0.766 56.874 56.100 0.013 0.000 0.973 1033 R CB -0.916 29.392 30.300 0.013 0.000 0.869 1033 R HN 0.490 nan 8.270 nan 0.000 0.440 1034 S N -0.370 115.344 115.700 0.024 0.000 2.595 1034 S HA -0.065 4.437 4.470 0.054 0.000 0.235 1034 S C 1.649 176.271 174.600 0.035 0.000 0.974 1034 S CA 0.618 58.837 58.200 0.031 0.000 0.942 1034 S CB -0.040 63.184 63.200 0.040 0.000 0.766 1034 S HN 0.087 nan 8.310 nan 0.000 0.536 1035 M N 1.653 121.269 119.600 0.026 0.000 2.465 1035 M HA 0.295 4.807 4.480 0.054 0.000 0.249 1035 M C -0.638 175.672 176.300 0.017 0.000 1.130 1035 M CA 0.120 55.434 55.300 0.023 0.000 1.067 1035 M CB 0.183 32.788 32.600 0.009 0.000 1.394 1035 M HN 0.034 nan 8.290 nan 0.000 0.483 1036 D N 0.723 121.132 120.400 0.014 0.000 2.414 1036 D HA 0.088 4.760 4.640 0.054 0.000 0.242 1036 D C -0.461 175.847 176.300 0.013 0.000 1.129 1036 D CA 0.175 54.182 54.000 0.011 0.000 0.885 1036 D CB 1.115 41.921 40.800 0.010 0.000 1.198 1036 D HN -0.111 nan 8.370 nan 0.000 0.437 1037 V N 2.690 122.610 119.914 0.010 0.000 2.432 1037 V HA 0.114 4.267 4.120 0.054 0.000 0.271 1037 V C 0.557 176.653 176.094 0.004 0.000 1.046 1037 V CA -0.146 62.158 62.300 0.007 0.000 0.945 1037 V CB 1.029 32.852 31.823 0.001 0.000 0.992 1037 V HN 0.433 nan 8.190 nan 0.000 0.471 1038 E N 3.638 123.840 120.200 0.003 0.000 2.199 1038 E HA 0.597 4.980 4.350 0.054 0.000 0.269 1038 E C -0.614 175.983 176.600 -0.005 0.000 0.899 1038 E CA -0.486 55.914 56.400 -0.000 0.000 0.772 1038 E CB 2.187 31.887 29.700 0.001 0.000 1.155 1038 E HN 0.792 nan 8.360 nan 0.000 0.408 1039 T N 1.127 115.676 114.554 -0.008 0.000 2.942 1039 T HA 0.621 5.004 4.350 0.054 0.000 0.289 1039 T C -0.212 174.477 174.700 -0.017 0.000 1.044 1039 T CA -0.856 61.236 62.100 -0.013 0.000 1.023 1039 T CB 1.087 69.947 68.868 -0.013 0.000 1.123 1039 T HN 0.280 nan 8.240 nan 0.000 0.512 1040 I N 1.745 122.302 120.570 -0.022 0.000 2.509 1040 I HA 0.418 4.620 4.170 0.054 0.000 0.293 1040 I C 0.722 176.818 176.117 -0.035 0.000 1.020 1040 I CA -0.725 60.556 61.300 -0.031 0.000 1.088 1040 I CB 1.806 39.786 38.000 -0.033 0.000 1.267 1040 I HN 0.956 nan 8.210 nan 0.000 0.430 1041 S N 2.808 118.480 115.700 -0.047 0.000 2.568 1041 S HA 0.071 4.574 4.470 0.054 0.000 0.282 1041 S C 1.339 175.902 174.600 -0.062 0.000 1.338 1041 S CA 0.360 58.528 58.200 -0.053 0.000 1.045 1041 S CB 0.441 63.591 63.200 -0.083 0.000 0.873 1041 S HN 0.794 nan 8.310 nan 0.000 0.516 1042 T N 1.386 115.907 114.554 -0.055 0.000 3.081 1042 T HA 0.358 4.740 4.350 0.054 0.000 0.255 1042 T C 1.518 176.157 174.700 -0.101 0.000 1.113 1042 T CA 0.652 62.713 62.100 -0.064 0.000 1.082 1042 T CB -0.304 68.532 68.868 -0.053 0.000 0.939 1042 T HN 1.611 nan 8.240 nan 0.000 0.506 1043 G N 0.806 109.535 108.800 -0.119 0.000 2.234 1043 G HA2 -0.233 3.760 3.960 0.054 0.000 0.235 1043 G HA3 -0.233 3.760 3.960 0.054 0.000 0.235 1043 G C 0.233 175.079 174.900 -0.091 0.000 0.997 1043 G CA 0.174 45.175 45.100 -0.166 0.000 0.623 1043 G HN 1.045 nan 8.290 nan 0.000 0.514 1044 S N 0.018 115.633 115.700 -0.142 0.000 2.437 1044 S HA 0.634 5.136 4.470 0.054 0.000 0.305 1044 S C 1.213 175.796 174.600 -0.029 0.000 1.109 1044 S CA 0.095 58.166 58.200 -0.216 0.000 1.099 1044 S CB 1.541 64.334 63.200 -0.679 0.000 1.004 1044 S HN 1.033 nan 8.310 nan 0.000 0.475 1045 L N 5.814 127.009 121.223 -0.047 0.000 2.027 1045 L HA 0.041 4.413 4.340 0.054 0.000 0.206 1045 L C 2.554 179.386 176.870 -0.063 0.000 1.074 1045 L CA 2.672 57.465 54.840 -0.078 0.000 0.745 1045 L CB -1.008 40.788 42.059 -0.438 0.000 0.898 1045 L HN 0.895 nan 8.230 nan 0.000 0.433 1046 S N -1.036 114.625 115.700 -0.066 0.000 2.423 1046 S HA -0.190 4.313 4.470 0.054 0.000 0.231 1046 S C 2.099 176.726 174.600 0.045 0.000 1.014 1046 S CA 1.322 59.526 58.200 0.007 0.000 0.965 1046 S CB -0.968 62.266 63.200 0.057 0.000 0.785 1046 S HN 0.511 nan 8.310 nan 0.000 0.495 1047 L N 1.399 122.650 121.223 0.047 0.000 2.027 1047 L HA -0.101 4.272 4.340 0.054 0.000 0.206 1047 L C 1.996 178.877 176.870 0.017 0.000 1.074 1047 L CA 1.939 56.812 54.840 0.055 0.000 0.745 1047 L CB -0.621 41.467 42.059 0.047 0.000 0.898 1047 L HN 0.239 nan 8.230 nan 0.000 0.433 1048 D N 0.116 120.518 120.400 0.005 0.000 2.182 1048 D HA -0.203 4.469 4.640 0.054 0.000 0.201 1048 D C 2.135 178.438 176.300 0.005 0.000 0.986 1048 D CA 1.367 55.370 54.000 0.005 0.000 0.847 1048 D CB -0.059 40.752 40.800 0.018 0.000 0.942 1048 D HN 0.397 nan 8.370 nan 0.000 0.467 1049 I N 0.930 121.504 120.570 0.008 0.000 2.233 1049 I HA -0.192 4.010 4.170 0.054 0.000 0.243 1049 I C 2.508 178.631 176.117 0.010 0.000 1.093 1049 I CA 0.914 62.220 61.300 0.009 0.000 1.380 1049 I CB -0.236 37.770 38.000 0.009 0.000 1.067 1049 I HN -0.096 nan 8.210 nan 0.000 0.413 1050 A N 0.837 123.667 122.820 0.016 0.000 1.940 1050 A HA -0.184 4.168 4.320 0.054 0.000 0.219 1050 A C 2.266 179.843 177.584 -0.011 0.000 1.176 1050 A CA 1.525 53.570 52.037 0.013 0.000 0.631 1050 A CB -0.980 18.036 19.000 0.027 0.000 0.814 1050 A HN 0.421 nan 8.150 nan 0.000 0.446 1051 L N -1.539 119.674 121.223 -0.016 0.000 2.456 1051 L HA 0.008 4.380 4.340 0.054 0.000 0.224 1051 L C 2.172 179.016 176.870 -0.043 0.000 1.148 1051 L CA 0.682 55.499 54.840 -0.038 0.000 0.825 1051 L CB -0.370 41.671 42.059 -0.031 0.000 0.937 1051 L HN 0.662 nan 8.230 nan 0.000 0.450 1052 G N -0.281 108.504 108.800 -0.024 0.000 2.708 1052 G HA2 -0.439 3.553 3.960 0.054 0.000 0.229 1052 G HA3 -0.439 3.553 3.960 0.054 0.000 0.229 1052 G C 1.034 175.927 174.900 -0.012 0.000 1.236 1052 G CA 0.466 45.554 45.100 -0.019 0.000 0.749 1052 G HN 0.467 nan 8.290 nan 0.000 0.515 1053 A N 0.587 123.394 122.820 -0.022 0.000 2.275 1053 A HA 0.582 4.935 4.320 0.054 0.000 0.212 1053 A C 2.433 180.013 177.584 -0.008 0.000 1.201 1053 A CA 1.765 53.794 52.037 -0.014 0.000 0.843 1053 A CB -0.505 18.482 19.000 -0.022 0.000 0.873 1053 A HN 2.625 nan 8.150 nan 0.000 0.492 1054 G N -2.646 106.150 108.800 -0.006 0.000 2.141 1054 G HA2 0.286 4.278 3.960 0.054 0.000 0.231 1054 G HA3 0.286 4.278 3.960 0.054 0.000 0.231 1054 G C 0.854 175.751 174.900 -0.005 0.000 0.984 1054 G CA 0.322 45.423 45.100 0.000 0.000 0.660 1054 G HN 2.180 nan 8.290 nan 0.000 0.525 1055 G N -1.571 107.222 108.800 -0.013 0.000 2.341 1055 G HA2 0.509 4.502 3.960 0.054 0.000 0.293 1055 G HA3 0.509 4.502 3.960 0.054 0.000 0.293 1055 G C -0.672 174.214 174.900 -0.022 0.000 1.298 1055 G CA -0.494 44.595 45.100 -0.018 0.000 0.868 1055 G HN 0.883 nan 8.290 nan 0.000 0.540 1056 L N 1.775 122.985 121.223 -0.023 0.000 2.397 1056 L HA 0.420 4.792 4.340 0.054 0.000 0.271 1056 L C -1.792 175.067 176.870 -0.018 0.000 1.148 1056 L CA -1.578 53.249 54.840 -0.022 0.000 0.825 1056 L CB 1.258 43.305 42.059 -0.020 0.000 1.117 1056 L HN 0.313 nan 8.230 nan 0.000 0.456 1057 P HA 0.202 nan 4.420 nan 0.000 0.290 1057 P C -0.805 176.493 177.300 -0.003 0.000 1.276 1057 P CA -0.612 62.482 63.100 -0.009 0.000 0.808 1057 P CB 1.005 32.700 31.700 -0.008 0.000 0.966 1058 M N 1.818 121.417 119.600 -0.002 0.000 2.238 1058 M HA 0.240 4.752 4.480 0.054 0.000 0.347 1058 M C 1.574 177.880 176.300 0.010 0.000 1.173 1058 M CA 0.759 56.058 55.300 -0.001 0.000 1.147 1058 M CB -0.621 31.977 32.600 -0.002 0.000 1.547 1058 M HN 0.845 nan 8.290 nan 0.000 0.455 1059 G N 2.408 111.213 108.800 0.008 0.000 2.148 1059 G HA2 -0.204 3.788 3.960 0.054 0.000 0.254 1059 G HA3 -0.204 3.788 3.960 0.054 0.000 0.254 1059 G C 0.183 175.104 174.900 0.035 0.000 0.981 1059 G CA -0.049 45.062 45.100 0.019 0.000 0.670 1059 G HN 0.547 nan 8.290 nan 0.000 0.528 1060 R N -0.684 119.836 120.500 0.034 0.000 2.902 1060 R HA 0.774 5.146 4.340 0.054 0.000 0.258 1060 R C 0.227 176.564 176.300 0.062 0.000 1.071 1060 R CA -1.179 54.955 56.100 0.057 0.000 1.024 1060 R CB 0.811 31.139 30.300 0.047 0.000 1.184 1060 R HN 0.220 nan 8.270 nan 0.000 0.492 1061 I N 0.698 121.332 120.570 0.107 0.000 2.392 1061 I HA 0.361 4.564 4.170 0.054 0.000 0.295 1061 I C -0.242 175.954 176.117 0.131 0.000 0.985 1061 I CA -0.824 60.563 61.300 0.146 0.000 1.221 1061 I CB 1.742 39.886 38.000 0.240 0.000 1.366 1061 I HN -0.034 nan 8.210 nan 0.000 0.467 1062 V N 5.299 125.289 119.914 0.127 0.000 2.789 1062 V HA 0.394 4.547 4.120 0.054 0.000 0.311 1062 V C -0.517 175.668 176.094 0.152 0.000 1.073 1062 V CA -0.649 61.710 62.300 0.097 0.000 0.921 1062 V CB 2.146 33.991 31.823 0.037 0.000 1.009 1062 V HN 0.744 nan 8.190 nan 0.000 0.426 1063 E N 3.714 123.993 120.200 0.132 0.000 2.210 1063 E HA 0.649 5.031 4.350 0.054 0.000 0.266 1063 E C -1.663 174.996 176.600 0.098 0.000 0.883 1063 E CA -0.636 55.863 56.400 0.165 0.000 0.761 1063 E CB 1.809 31.619 29.700 0.185 0.000 1.156 1063 E HN 0.636 nan 8.360 nan 0.000 0.412 1064 I N 5.405 126.033 120.570 0.095 0.000 2.389 1064 I HA 0.328 4.531 4.170 0.054 0.000 0.288 1064 I C -0.863 175.312 176.117 0.098 0.000 0.999 1064 I CA -0.906 60.407 61.300 0.021 0.000 1.129 1064 I CB 0.760 38.778 38.000 0.029 0.000 1.288 1064 I HN 0.467 nan 8.210 nan 0.000 0.444 1065 Y N 4.131 124.464 120.300 0.054 0.000 2.602 1065 Y HA 1.018 5.600 4.550 0.054 0.000 0.342 1065 Y C -0.094 175.853 175.900 0.079 0.000 1.029 1065 Y CA -1.356 56.776 58.100 0.053 0.000 1.080 1065 Y CB 1.799 40.274 38.460 0.026 0.000 1.284 1065 Y HN 0.678 nan 8.280 nan 0.000 0.485 1066 G N 0.385 109.405 108.800 0.367 0.000 2.316 1066 G HA2 0.440 4.432 3.960 0.054 0.000 0.296 1066 G HA3 0.440 4.432 3.960 0.054 0.000 0.296 1066 G C -3.554 171.567 174.900 0.369 0.000 1.399 1066 G CA -1.312 43.964 45.100 0.294 0.000 0.833 1066 G HN 0.507 nan 8.290 nan 0.000 0.565 1067 P HA 0.311 nan 4.420 nan 0.000 0.274 1067 P C -0.285 177.034 177.300 0.031 0.000 1.260 1067 P CA -0.296 62.921 63.100 0.195 0.000 0.793 1067 P CB 0.262 32.001 31.700 0.066 0.000 1.048 1068 E N -0.655 119.228 120.200 -0.529 0.000 2.413 1068 E HA 0.176 4.558 4.350 0.054 0.000 0.263 1068 E C 0.105 176.620 176.600 -0.142 0.000 1.015 1068 E CA -0.150 55.952 56.400 -0.496 0.000 0.916 1068 E CB -0.681 28.556 29.700 -0.771 0.000 0.947 1068 E HN 0.274 nan 8.360 nan 0.000 0.440 1069 S N 0.549 116.222 115.700 -0.045 0.000 3.533 1069 S HA -0.226 4.276 4.470 0.054 0.000 0.347 1069 S C 0.968 175.612 174.600 0.073 0.000 1.101 1069 S CA 0.980 59.185 58.200 0.010 0.000 1.009 1069 S CB -1.757 61.422 63.200 -0.034 0.000 0.916 1069 S HN 0.727 nan 8.310 nan 0.000 0.496 1070 S N -0.341 115.411 115.700 0.087 0.000 2.478 1070 S HA 0.434 4.936 4.470 0.054 0.000 0.222 1070 S C 1.537 176.209 174.600 0.119 0.000 1.008 1070 S CA 0.799 59.058 58.200 0.097 0.000 0.928 1070 S CB 0.514 63.770 63.200 0.094 0.000 0.781 1070 S HN 1.932 nan 8.310 nan 0.000 0.518 1071 G N 1.126 110.011 108.800 0.142 0.000 2.155 1071 G HA2 -0.156 3.836 3.960 0.054 0.000 0.130 1071 G HA3 -0.156 3.836 3.960 0.054 0.000 0.130 1071 G C 0.590 175.591 174.900 0.169 0.000 1.027 1071 G CA 0.078 45.283 45.100 0.175 0.000 0.705 1071 G HN 0.418 nan 8.290 nan 0.000 0.496 1072 K N 0.020 120.511 120.400 0.151 0.000 1.985 1072 K HA -0.061 4.291 4.320 0.054 0.000 0.210 1072 K C 2.576 179.267 176.600 0.151 0.000 1.047 1072 K CA 2.004 58.375 56.287 0.140 0.000 0.932 1072 K CB -0.391 32.193 32.500 0.139 0.000 0.716 1072 K HN 0.294 nan 8.250 nan 0.000 0.439 1073 T N 0.887 115.543 114.554 0.171 0.000 2.674 1073 T HA -0.152 4.231 4.350 0.054 0.000 0.265 1073 T C 2.047 176.863 174.700 0.193 0.000 1.039 1073 T CA 1.912 64.138 62.100 0.211 0.000 1.150 1073 T CB -0.583 68.413 68.868 0.213 0.000 0.864 1073 T HN 0.261 nan 8.240 nan 0.000 0.427 1074 T N 2.351 117.023 114.554 0.197 0.000 2.624 1074 T HA -0.121 4.261 4.350 0.054 0.000 0.268 1074 T C 1.929 176.706 174.700 0.128 0.000 1.041 1074 T CA 1.407 63.623 62.100 0.192 0.000 1.159 1074 T CB -0.642 68.376 68.868 0.251 0.000 0.863 1074 T HN 0.203 nan 8.240 nan 0.000 0.434 1075 L N 0.263 121.568 121.223 0.138 0.000 1.989 1075 L HA -0.173 4.200 4.340 0.054 0.000 0.211 1075 L C 2.718 179.627 176.870 0.065 0.000 1.071 1075 L CA 1.801 56.698 54.840 0.094 0.000 0.749 1075 L CB -0.887 41.248 42.059 0.126 0.000 0.890 1075 L HN 0.242 nan 8.230 nan 0.000 0.431 1076 T N 0.146 114.757 114.554 0.096 0.000 2.620 1076 T HA -0.296 4.086 4.350 0.054 0.000 0.267 1076 T C 1.804 176.565 174.700 0.101 0.000 1.044 1076 T CA 2.342 64.504 62.100 0.104 0.000 1.161 1076 T CB -0.419 68.548 68.868 0.166 0.000 0.862 1076 T HN 0.309 nan 8.240 nan 0.000 0.438 1077 L N 0.729 122.016 121.223 0.106 0.000 2.083 1077 L HA -0.136 4.236 4.340 0.054 0.000 0.209 1077 L C 3.030 179.890 176.870 -0.017 0.000 1.083 1077 L CA 1.125 55.986 54.840 0.035 0.000 0.752 1077 L CB -0.555 41.493 42.059 -0.019 0.000 0.899 1077 L HN 0.255 nan 8.230 nan 0.000 0.433 1078 Q N -0.334 119.452 119.800 -0.023 0.000 2.084 1078 Q HA -0.190 4.182 4.340 0.054 0.000 0.202 1078 Q C 2.472 178.428 176.000 -0.073 0.000 0.978 1078 Q CA 1.979 57.742 55.803 -0.066 0.000 0.844 1078 Q CB -0.680 28.012 28.738 -0.077 0.000 0.898 1078 Q HN 0.584 nan 8.270 nan 0.000 0.426 1079 V N -0.721 119.166 119.914 -0.045 0.000 2.358 1079 V HA -0.200 3.953 4.120 0.054 0.000 0.246 1079 V C 2.118 178.187 176.094 -0.042 0.000 1.047 1079 V CA 1.210 63.481 62.300 -0.048 0.000 1.035 1079 V CB -0.542 31.262 31.823 -0.032 0.000 0.658 1079 V HN 0.220 nan 8.190 nan 0.000 0.452 1080 I N 1.189 121.749 120.570 -0.017 0.000 2.127 1080 I HA -0.218 3.985 4.170 0.054 0.000 0.241 1080 I C 3.013 179.105 176.117 -0.042 0.000 1.075 1080 I CA 1.947 63.239 61.300 -0.013 0.000 1.334 1080 I CB -0.845 37.169 38.000 0.024 0.000 1.040 1080 I HN 0.437 nan 8.210 nan 0.000 0.405 1081 A N 0.744 123.528 122.820 -0.060 0.000 1.892 1081 A HA -0.275 4.077 4.320 0.054 0.000 0.218 1081 A C 2.531 180.060 177.584 -0.092 0.000 1.188 1081 A CA 2.338 54.327 52.037 -0.081 0.000 0.631 1081 A CB -1.055 17.886 19.000 -0.100 0.000 0.822 1081 A HN 0.476 nan 8.150 nan 0.000 0.447 1082 A N -0.434 122.321 122.820 -0.107 0.000 1.902 1082 A HA 0.158 4.511 4.320 0.054 0.000 0.217 1082 A C 2.516 180.045 177.584 -0.091 0.000 1.181 1082 A CA 2.206 54.168 52.037 -0.124 0.000 0.623 1082 A CB -1.018 17.894 19.000 -0.147 0.000 0.818 1082 A HN 1.132 nan 8.150 nan 0.000 0.443 1083 A N -0.798 121.980 122.820 -0.069 0.000 1.898 1083 A HA -0.198 4.155 4.320 0.054 0.000 0.216 1083 A C 2.125 179.681 177.584 -0.047 0.000 1.181 1083 A CA 1.604 53.610 52.037 -0.052 0.000 0.620 1083 A CB -0.546 18.430 19.000 -0.040 0.000 0.819 1083 A HN 0.648 nan 8.150 nan 0.000 0.442 1084 Q N -1.210 118.561 119.800 -0.048 0.000 2.119 1084 Q HA -0.152 4.220 4.340 0.054 0.000 0.201 1084 Q C 2.235 178.207 176.000 -0.048 0.000 0.972 1084 Q CA 1.361 57.138 55.803 -0.043 0.000 0.847 1084 Q CB -0.141 28.571 28.738 -0.043 0.000 0.903 1084 Q HN 0.543 nan 8.270 nan 0.000 0.433 1085 R N 1.100 121.564 120.500 -0.061 0.000 2.249 1085 R HA -0.131 4.241 4.340 0.054 0.000 0.230 1085 R C 0.452 176.719 176.300 -0.055 0.000 1.121 1085 R CA 1.079 57.140 56.100 -0.065 0.000 0.997 1085 R CB 0.194 30.441 30.300 -0.088 0.000 0.867 1085 R HN 0.252 nan 8.270 nan 0.000 0.465 1086 E N -1.651 118.519 120.200 -0.050 0.000 2.685 1086 E HA 0.197 4.579 4.350 0.054 0.000 0.208 1086 E C 0.139 176.720 176.600 -0.032 0.000 0.996 1086 E CA 0.269 56.644 56.400 -0.041 0.000 1.054 1086 E CB 1.112 30.787 29.700 -0.043 0.000 1.075 1086 E HN 0.393 nan 8.360 nan 0.000 0.460 1087 G N 2.254 111.036 108.800 -0.030 0.000 2.160 1087 G HA2 -0.325 3.667 3.960 0.054 0.000 0.251 1087 G HA3 -0.325 3.667 3.960 0.054 0.000 0.251 1087 G C 0.070 174.957 174.900 -0.021 0.000 1.008 1087 G CA 0.314 45.399 45.100 -0.024 0.000 0.724 1087 G HN 0.158 nan 8.290 nan 0.000 0.514 1088 K N 0.406 120.791 120.400 -0.024 0.000 2.118 1088 K HA 0.508 4.860 4.320 0.054 0.000 0.267 1088 K C 0.135 176.723 176.600 -0.019 0.000 0.991 1088 K CA -0.296 55.978 56.287 -0.021 0.000 0.916 1088 K CB 1.010 33.496 32.500 -0.024 0.000 1.041 1088 K HN 0.116 nan 8.250 nan 0.000 0.455 1089 T N 1.718 116.263 114.554 -0.015 0.000 2.806 1089 T HA 0.293 4.675 4.350 0.054 0.000 0.290 1089 T C -0.278 174.415 174.700 -0.012 0.000 0.966 1089 T CA -0.514 61.579 62.100 -0.012 0.000 1.060 1089 T CB 0.267 69.129 68.868 -0.009 0.000 0.927 1089 T HN 0.532 nan 8.240 nan 0.000 0.485 1090 C N 2.375 121.672 119.300 -0.006 0.000 2.634 1090 C HA 0.945 5.438 4.460 0.054 0.000 0.313 1090 C C 0.357 175.357 174.990 0.017 0.000 1.198 1090 C CA -1.005 58.014 59.018 0.002 0.000 1.605 1090 C CB 0.893 28.640 27.740 0.011 0.000 2.196 1090 C HN 1.049 nan 8.230 nan 0.000 0.486 1091 A N 1.407 124.236 122.820 0.014 0.000 2.386 1091 A HA 0.865 5.217 4.320 0.054 0.000 0.311 1091 A C -1.398 176.222 177.584 0.061 0.000 1.068 1091 A CA -0.264 51.790 52.037 0.028 0.000 0.743 1091 A CB 0.949 19.940 19.000 -0.014 0.000 1.258 1091 A HN 0.835 nan 8.150 nan 0.000 0.429 1092 F N 3.502 123.413 119.950 -0.065 0.000 2.460 1092 F HA 0.560 5.120 4.527 0.054 0.000 0.341 1092 F C -0.713 175.039 175.800 -0.080 0.000 1.130 1092 F CA -0.870 57.088 58.000 -0.071 0.000 0.962 1092 F CB 1.285 40.252 39.000 -0.054 0.000 1.171 1092 F HN 0.380 nan 8.300 nan 0.000 0.436 1093 I N 4.887 125.233 120.570 -0.374 0.000 2.307 1093 I HA 0.130 4.333 4.170 0.054 0.000 0.287 1093 I C -0.223 175.725 176.117 -0.282 0.000 1.054 1093 I CA -0.337 60.818 61.300 -0.240 0.000 1.218 1093 I CB 0.582 38.439 38.000 -0.238 0.000 1.398 1093 I HN 0.513 nan 8.210 nan 0.000 0.475 1094 D N 5.349 125.733 120.400 -0.027 0.000 2.631 1094 D HA 0.363 5.035 4.640 0.054 0.000 0.227 1094 D C 1.239 177.433 176.300 -0.177 0.000 1.146 1094 D CA -0.089 53.941 54.000 0.050 0.000 1.009 1094 D CB 0.836 41.764 40.800 0.213 0.000 1.057 1094 D HN 0.596 nan 8.370 nan 0.000 0.509 1095 A N 2.308 125.054 122.820 -0.123 0.000 2.066 1095 A HA -0.102 4.250 4.320 0.054 0.000 0.218 1095 A C 1.899 179.559 177.584 0.127 0.000 1.157 1095 A CA 0.738 52.747 52.037 -0.046 0.000 0.670 1095 A CB -0.200 18.803 19.000 0.004 0.000 0.804 1095 A HN 0.521 nan 8.150 nan 0.000 0.453 1096 E N -1.083 119.166 120.200 0.082 0.000 2.435 1096 E HA -0.071 4.312 4.350 0.054 0.000 0.195 1096 E C -0.507 176.250 176.600 0.262 0.000 1.029 1096 E CA -0.015 56.469 56.400 0.140 0.000 0.865 1096 E CB -0.120 29.597 29.700 0.029 0.000 0.833 1096 E HN 0.684 nan 8.360 nan 0.000 0.510 1097 H N -1.922 117.213 119.070 0.107 0.000 2.692 1097 H HA -0.208 4.381 4.556 0.054 0.000 0.316 1097 H C 0.005 175.386 175.328 0.089 0.000 1.176 1097 H CA 0.623 56.731 56.048 0.101 0.000 1.142 1097 H CB -1.367 28.453 29.762 0.098 0.000 1.475 1097 H HN 0.265 nan 8.280 nan 0.000 0.423 1098 A N 0.329 123.237 122.820 0.146 0.000 2.704 1098 A HA 0.221 4.573 4.320 0.054 0.000 0.260 1098 A C 0.429 178.048 177.584 0.058 0.000 1.144 1098 A CA -0.388 51.710 52.037 0.101 0.000 0.985 1098 A CB 0.727 19.783 19.000 0.093 0.000 1.256 1098 A HN 0.142 nan 8.150 nan 0.000 0.598 1099 L N 1.384 122.634 121.223 0.046 0.000 2.410 1099 L HA 0.418 4.790 4.340 0.054 0.000 0.273 1099 L C -0.533 176.315 176.870 -0.036 0.000 1.144 1099 L CA 0.236 55.053 54.840 -0.040 0.000 0.863 1099 L CB 0.535 42.493 42.059 -0.168 0.000 1.140 1099 L HN 0.220 nan 8.230 nan 0.000 0.463 1100 D N 7.245 127.632 120.400 -0.022 0.000 2.412 1100 D HA 0.325 4.997 4.640 0.054 0.000 0.224 1100 D C -1.813 174.490 176.300 0.005 0.000 1.093 1100 D CA -2.244 51.760 54.000 0.007 0.000 0.850 1100 D CB 1.535 42.352 40.800 0.029 0.000 1.046 1100 D HN 0.350 nan 8.370 nan 0.000 0.507 1101 P HA -0.165 nan 4.420 nan 0.000 0.215 1101 P C 1.655 178.944 177.300 -0.017 0.000 1.153 1101 P CA 0.672 63.746 63.100 -0.044 0.000 0.853 1101 P CB 0.523 32.202 31.700 -0.036 0.000 0.788 1102 I N -1.743 118.837 120.570 0.016 0.000 2.286 1102 I HA -0.236 3.966 4.170 0.054 0.000 0.248 1102 I C 2.666 178.819 176.117 0.060 0.000 1.115 1102 I CA 1.392 62.710 61.300 0.029 0.000 1.392 1102 I CB -1.088 36.935 38.000 0.038 0.000 1.065 1102 I HN -0.136 nan 8.210 nan 0.000 0.418 1103 Y N 1.009 121.284 120.300 -0.041 0.000 2.263 1103 Y HA -0.136 4.447 4.550 0.054 0.000 0.292 1103 Y C 2.439 178.312 175.900 -0.045 0.000 1.130 1103 Y CA 1.095 59.175 58.100 -0.033 0.000 1.179 1103 Y CB -0.476 37.966 38.460 -0.030 0.000 0.998 1103 Y HN 0.123 nan 8.280 nan 0.000 0.532 1104 A N 0.777 123.559 122.820 -0.064 0.000 1.908 1104 A HA -0.233 4.119 4.320 0.054 0.000 0.218 1104 A C 2.430 179.911 177.584 -0.172 0.000 1.181 1104 A CA 1.849 53.790 52.037 -0.161 0.000 0.627 1104 A CB -0.782 18.124 19.000 -0.157 0.000 0.818 1104 A HN 0.474 nan 8.150 nan 0.000 0.445 1105 R N -0.139 120.289 120.500 -0.120 0.000 2.081 1105 R HA -0.130 4.242 4.340 0.054 0.000 0.235 1105 R C 2.076 178.302 176.300 -0.124 0.000 1.131 1105 R CA 1.861 57.901 56.100 -0.100 0.000 0.960 1105 R CB -0.303 29.960 30.300 -0.061 0.000 0.856 1105 R HN 0.545 nan 8.270 nan 0.000 0.436 1106 K N 0.251 120.558 120.400 -0.155 0.000 2.152 1106 K HA -0.086 4.266 4.320 0.054 0.000 0.206 1106 K C 1.854 178.320 176.600 -0.223 0.000 1.048 1106 K CA 1.128 57.313 56.287 -0.170 0.000 0.933 1106 K CB -0.048 32.349 32.500 -0.172 0.000 0.721 1106 K HN 0.232 nan 8.250 nan 0.000 0.447 1107 L N -0.490 120.541 121.223 -0.319 0.000 2.599 1107 L HA 0.076 4.448 4.340 0.054 0.000 0.230 1107 L C 0.980 177.751 176.870 -0.165 0.000 1.141 1107 L CA 0.441 55.123 54.840 -0.264 0.000 0.877 1107 L CB -0.087 41.782 42.059 -0.317 0.000 1.009 1107 L HN 0.453 nan 8.230 nan 0.000 0.447 1108 G N 0.119 108.835 108.800 -0.140 0.000 2.131 1108 G HA2 -0.225 3.768 3.960 0.054 0.000 0.223 1108 G HA3 -0.225 3.768 3.960 0.054 0.000 0.223 1108 G C 0.110 174.951 174.900 -0.098 0.000 0.990 1108 G CA -0.134 44.903 45.100 -0.105 0.000 0.671 1108 G HN 0.088 nan 8.290 nan 0.000 0.521 1109 V N 1.085 120.935 119.914 -0.106 0.000 2.530 1109 V HA 0.369 4.521 4.120 0.054 0.000 0.282 1109 V C 0.670 176.720 176.094 -0.075 0.000 1.048 1109 V CA -0.108 62.138 62.300 -0.090 0.000 0.997 1109 V CB 1.683 33.444 31.823 -0.104 0.000 0.987 1109 V HN 0.374 nan 8.190 nan 0.000 0.477 1110 D N 4.594 124.957 120.400 -0.060 0.000 2.383 1110 D HA 0.095 4.768 4.640 0.054 0.000 0.245 1110 D C 1.060 177.332 176.300 -0.046 0.000 1.263 1110 D CA -0.279 53.692 54.000 -0.049 0.000 0.936 1110 D CB 0.495 41.271 40.800 -0.040 0.000 1.053 1110 D HN 0.279 nan 8.370 nan 0.000 0.507 1111 I N 2.667 123.207 120.570 -0.049 0.000 2.226 1111 I HA -0.213 3.989 4.170 0.054 0.000 0.245 1111 I C 1.492 177.589 176.117 -0.034 0.000 1.100 1111 I CA 0.989 62.260 61.300 -0.049 0.000 1.374 1111 I CB -0.653 37.319 38.000 -0.048 0.000 1.057 1111 I HN 0.404 nan 8.210 nan 0.000 0.413 1112 D N 0.674 121.058 120.400 -0.027 0.000 2.310 1112 D HA -0.111 4.561 4.640 0.054 0.000 0.212 1112 D C 1.445 177.735 176.300 -0.015 0.000 0.965 1112 D CA 0.771 54.760 54.000 -0.019 0.000 0.879 1112 D CB -0.088 40.702 40.800 -0.017 0.000 0.921 1112 D HN 0.397 nan 8.370 nan 0.000 0.510 1113 N N -0.129 118.560 118.700 -0.018 0.000 2.181 1113 N HA 0.025 4.797 4.740 0.054 0.000 0.207 1113 N C 0.277 175.781 175.510 -0.010 0.000 1.182 1113 N CA -0.213 52.829 53.050 -0.013 0.000 0.893 1113 N CB 1.324 39.801 38.487 -0.016 0.000 1.032 1113 N HN 0.151 nan 8.380 nan 0.000 0.513 1114 L N 2.846 124.061 121.223 -0.014 0.000 2.407 1114 L HA 0.253 4.625 4.340 0.054 0.000 0.282 1114 L C -0.196 176.680 176.870 0.010 0.000 1.110 1114 L CA -0.030 54.807 54.840 -0.004 0.000 0.863 1114 L CB -0.083 41.963 42.059 -0.022 0.000 1.207 1114 L HN -0.006 nan 8.230 nan 0.000 0.454 1115 L N 5.362 126.598 121.223 0.021 0.000 2.490 1115 L HA 0.076 4.448 4.340 0.054 0.000 0.274 1115 L C 0.103 177.005 176.870 0.054 0.000 1.201 1115 L CA 0.310 55.166 54.840 0.027 0.000 0.869 1115 L CB 0.876 42.947 42.059 0.020 0.000 1.123 1115 L HN 0.710 nan 8.230 nan 0.000 0.484 1116 C N 3.063 122.392 119.300 0.047 0.000 2.701 1116 C HA 0.647 5.140 4.460 0.054 0.000 0.336 1116 C C -0.363 174.654 174.990 0.046 0.000 1.123 1116 C CA -0.444 58.618 59.018 0.074 0.000 1.326 1116 C CB 1.516 29.288 27.740 0.054 0.000 1.833 1116 C HN 0.813 nan 8.230 nan 0.000 0.473 1117 S N 3.783 119.508 115.700 0.042 0.000 2.536 1117 S HA 0.619 5.121 4.470 0.054 0.000 0.287 1117 S C -1.285 173.291 174.600 -0.039 0.000 1.101 1117 S CA -0.280 57.919 58.200 -0.003 0.000 0.950 1117 S CB 1.539 64.721 63.200 -0.030 0.000 1.056 1117 S HN 0.848 nan 8.310 nan 0.000 0.481 1118 Q N 4.111 123.876 119.800 -0.058 0.000 2.607 1118 Q HA 0.341 4.713 4.340 0.054 0.000 0.247 1118 Q C -2.426 173.543 176.000 -0.052 0.000 1.033 1118 Q CA -1.875 53.830 55.803 -0.165 0.000 0.769 1118 Q CB 1.585 30.225 28.738 -0.163 0.000 1.169 1118 Q HN 0.530 nan 8.270 nan 0.000 0.508 1119 P HA 0.070 nan 4.420 nan 0.000 0.274 1119 P C -0.288 177.059 177.300 0.078 0.000 1.237 1119 P CA -0.159 62.922 63.100 -0.032 0.000 0.793 1119 P CB 1.506 33.145 31.700 -0.102 0.000 0.977 1120 D N -0.253 120.170 120.400 0.038 0.000 2.146 1120 D HA -0.026 4.646 4.640 0.054 0.000 0.209 1120 D C 0.984 177.307 176.300 0.039 0.000 0.973 1120 D CA 1.597 55.634 54.000 0.062 0.000 0.860 1120 D CB -0.436 40.391 40.800 0.045 0.000 1.015 1120 D HN 0.515 nan 8.370 nan 0.000 0.465 1121 T N -2.779 111.771 114.554 -0.007 0.000 2.952 1121 T HA 0.528 4.911 4.350 0.054 0.000 0.286 1121 T C 1.394 176.072 174.700 -0.036 0.000 1.024 1121 T CA -0.362 61.729 62.100 -0.016 0.000 1.029 1121 T CB 1.902 70.758 68.868 -0.020 0.000 1.094 1121 T HN 0.000 nan 8.240 nan 0.000 0.515 1122 G N 0.285 109.071 108.800 -0.024 0.000 2.422 1122 G HA2 -0.113 3.879 3.960 0.054 0.000 0.218 1122 G HA3 -0.113 3.879 3.960 0.054 0.000 0.218 1122 G C 1.163 176.036 174.900 -0.046 0.000 1.146 1122 G CA 0.582 45.667 45.100 -0.025 0.000 0.769 1122 G HN 0.793 nan 8.290 nan 0.000 0.547 1123 E N -0.010 120.162 120.200 -0.047 0.000 2.085 1123 E HA -0.134 4.248 4.350 0.054 0.000 0.194 1123 E C 2.423 178.962 176.600 -0.101 0.000 0.994 1123 E CA 1.243 57.617 56.400 -0.043 0.000 0.801 1123 E CB -0.248 29.445 29.700 -0.012 0.000 0.743 1123 E HN 0.609 nan 8.360 nan 0.000 0.453 1124 Q N 0.120 119.806 119.800 -0.190 0.000 2.061 1124 Q HA -0.228 4.144 4.340 0.054 0.000 0.204 1124 Q C 2.157 177.899 176.000 -0.430 0.000 0.984 1124 Q CA 1.695 57.191 55.803 -0.512 0.000 0.846 1124 Q CB -0.223 28.199 28.738 -0.526 0.000 0.902 1124 Q HN 0.309 nan 8.270 nan 0.000 0.421 1125 A N 0.704 123.384 122.820 -0.234 0.000 1.892 1125 A HA -0.202 4.150 4.320 0.054 0.000 0.218 1125 A C 2.030 179.542 177.584 -0.120 0.000 1.188 1125 A CA 1.664 53.605 52.037 -0.160 0.000 0.631 1125 A CB -0.747 18.201 19.000 -0.087 0.000 0.822 1125 A HN 0.463 nan 8.150 nan 0.000 0.447 1126 L N -1.217 119.961 121.223 -0.075 0.000 2.179 1126 L HA -0.052 4.320 4.340 0.054 0.000 0.208 1126 L C 2.516 179.370 176.870 -0.027 0.000 1.096 1126 L CA 0.761 55.587 54.840 -0.022 0.000 0.779 1126 L CB -0.423 41.644 42.059 0.012 0.000 0.922 1126 L HN 0.259 nan 8.230 nan 0.000 0.443 1127 E N 0.535 120.708 120.200 -0.046 0.000 2.153 1127 E HA -0.155 4.227 4.350 0.054 0.000 0.194 1127 E C 2.277 178.897 176.600 0.034 0.000 0.988 1127 E CA 1.157 57.575 56.400 0.029 0.000 0.811 1127 E CB -0.041 29.742 29.700 0.138 0.000 0.746 1127 E HN 0.506 nan 8.360 nan 0.000 0.466 1128 I N 0.097 120.622 120.570 -0.076 0.000 2.202 1128 I HA -0.316 3.886 4.170 0.054 0.000 0.242 1128 I C 2.522 178.623 176.117 -0.026 0.000 1.091 1128 I CA 0.663 61.939 61.300 -0.040 0.000 1.368 1128 I CB -0.245 37.685 38.000 -0.117 0.000 1.058 1128 I HN 0.124 nan 8.210 nan 0.000 0.410 1129 C N 0.429 119.698 119.300 -0.053 0.000 2.398 1129 C HA -0.235 4.258 4.460 0.054 0.000 0.276 1129 C C 2.591 177.564 174.990 -0.027 0.000 1.222 1129 C CA 1.396 60.379 59.018 -0.058 0.000 1.746 1129 C CB -0.997 26.700 27.740 -0.072 0.000 2.039 1129 C HN 0.544 nan 8.230 nan 0.000 0.470 1130 D N 0.344 120.742 120.400 -0.004 0.000 2.117 1130 D HA -0.081 4.592 4.640 0.054 0.000 0.197 1130 D C 2.185 178.495 176.300 0.016 0.000 0.987 1130 D CA 1.612 55.617 54.000 0.008 0.000 0.829 1130 D CB -0.217 40.597 40.800 0.023 0.000 0.961 1130 D HN 0.414 nan 8.370 nan 0.000 0.460 1131 A N 0.092 122.933 122.820 0.035 0.000 1.877 1131 A HA -0.126 4.226 4.320 0.054 0.000 0.216 1131 A C 2.432 180.029 177.584 0.022 0.000 1.186 1131 A CA 1.224 53.286 52.037 0.042 0.000 0.620 1131 A CB -0.855 18.192 19.000 0.078 0.000 0.822 1131 A HN 0.346 nan 8.150 nan 0.000 0.443 1132 L N -0.900 120.328 121.223 0.009 0.000 2.056 1132 L HA -0.163 4.210 4.340 0.054 0.000 0.207 1132 L C 3.117 179.981 176.870 -0.011 0.000 1.078 1132 L CA 0.933 55.770 54.840 -0.004 0.000 0.749 1132 L CB -0.679 41.369 42.059 -0.018 0.000 0.901 1132 L HN 0.444 nan 8.230 nan 0.000 0.433 1133 A N 0.336 123.146 122.820 -0.017 0.000 1.851 1133 A HA -0.245 4.108 4.320 0.054 0.000 0.216 1133 A C 2.411 179.989 177.584 -0.010 0.000 1.195 1133 A CA 1.760 53.785 52.037 -0.019 0.000 0.622 1133 A CB -0.616 18.370 19.000 -0.024 0.000 0.831 1133 A HN 0.290 nan 8.150 nan 0.000 0.444 1134 R N 0.012 120.510 120.500 -0.003 0.000 2.105 1134 R HA -0.145 4.227 4.340 0.054 0.000 0.239 1134 R C 2.615 178.918 176.300 0.005 0.000 1.135 1134 R CA 1.670 57.772 56.100 0.003 0.000 0.967 1134 R CB -0.427 29.879 30.300 0.009 0.000 0.861 1134 R HN 0.771 nan 8.270 nan 0.000 0.442 1135 S N -0.670 115.033 115.700 0.005 0.000 2.419 1135 S HA -0.089 4.414 4.470 0.054 0.000 0.233 1135 S C 1.650 176.252 174.600 0.004 0.000 1.016 1135 S CA 1.138 59.342 58.200 0.006 0.000 0.974 1135 S CB -0.269 62.936 63.200 0.007 0.000 0.786 1135 S HN 0.548 nan 8.310 nan 0.000 0.492 1136 G N 0.541 109.342 108.800 0.000 0.000 2.155 1136 G HA2 -0.199 3.793 3.960 0.054 0.000 0.257 1136 G HA3 -0.199 3.793 3.960 0.054 0.000 0.257 1136 G C 0.739 175.638 174.900 -0.002 0.000 0.983 1136 G CA 0.369 45.469 45.100 -0.000 0.000 0.676 1136 G HN 1.415 nan 8.290 nan 0.000 0.528 1137 A N -1.219 121.600 122.820 -0.002 0.000 2.197 1137 A HA 0.680 5.032 4.320 0.054 0.000 0.210 1137 A C 0.999 178.580 177.584 -0.006 0.000 1.180 1137 A CA 1.221 53.257 52.037 -0.003 0.000 0.846 1137 A CB 0.616 19.616 19.000 0.000 0.000 0.884 1137 A HN 0.969 nan 8.150 nan 0.000 0.487 1138 V N 1.022 120.930 119.914 -0.010 0.000 2.472 1138 V HA 0.231 4.383 4.120 0.054 0.000 0.290 1138 V C 0.143 176.226 176.094 -0.019 0.000 1.037 1138 V CA -0.502 61.789 62.300 -0.015 0.000 0.908 1138 V CB 1.616 33.427 31.823 -0.019 0.000 0.985 1138 V HN 0.393 nan 8.190 nan 0.000 0.454 1139 D N 1.786 122.174 120.400 -0.020 0.000 2.338 1139 D HA 0.075 4.747 4.640 0.054 0.000 0.224 1139 D C 0.364 176.647 176.300 -0.030 0.000 0.967 1139 D CA 1.170 55.157 54.000 -0.022 0.000 0.896 1139 D CB 1.435 42.223 40.800 -0.019 0.000 1.028 1139 D HN 0.403 nan 8.370 nan 0.000 0.493 1140 V N 1.093 120.987 119.914 -0.033 0.000 2.577 1140 V HA 0.479 4.632 4.120 0.054 0.000 0.303 1140 V C -1.424 174.635 176.094 -0.059 0.000 1.042 1140 V CA -0.723 61.550 62.300 -0.046 0.000 0.872 1140 V CB 1.885 33.685 31.823 -0.038 0.000 0.998 1140 V HN -0.092 nan 8.190 nan 0.000 0.423 1141 I N 6.877 127.386 120.570 -0.101 0.000 2.433 1141 I HA 0.645 4.848 4.170 0.054 0.000 0.292 1141 I C -0.407 175.572 176.117 -0.229 0.000 1.001 1141 I CA -1.027 60.184 61.300 -0.148 0.000 1.119 1141 I CB 1.955 39.852 38.000 -0.171 0.000 1.289 1141 I HN 0.628 nan 8.210 nan 0.000 0.438 1142 V N 6.936 126.687 119.914 -0.273 0.000 2.604 1142 V HA 0.588 4.740 4.120 0.054 0.000 0.305 1142 V C -0.797 174.938 176.094 -0.598 0.000 1.043 1142 V CA -0.376 61.682 62.300 -0.404 0.000 0.888 1142 V CB 2.057 33.707 31.823 -0.288 0.000 0.995 1142 V HN 0.443 nan 8.190 nan 0.000 0.429 1143 V N 5.625 125.202 119.914 -0.562 0.000 2.328 1143 V HA 0.396 4.548 4.120 0.054 0.000 0.278 1143 V C -0.155 175.735 176.094 -0.340 0.000 1.021 1143 V CA -0.343 61.681 62.300 -0.460 0.000 0.838 1143 V CB 1.178 32.777 31.823 -0.374 0.000 0.999 1143 V HN 0.978 nan 8.190 nan 0.000 0.447 1144 D N 3.655 123.805 120.400 -0.416 0.000 2.365 1144 D HA 0.303 4.975 4.640 0.054 0.000 0.237 1144 D C 0.037 176.295 176.300 -0.071 0.000 1.190 1144 D CA 0.665 54.544 54.000 -0.201 0.000 0.867 1144 D CB 0.666 41.408 40.800 -0.097 0.000 1.050 1144 D HN 0.640 nan 8.370 nan 0.000 0.491 1145 S N 1.315 116.999 115.700 -0.026 0.000 3.392 1145 S HA -0.150 4.352 4.470 0.054 0.000 0.693 1145 S C 1.177 175.786 174.600 0.015 0.000 0.620 1145 S CA 0.333 58.518 58.200 -0.025 0.000 1.452 1145 S CB -1.038 62.110 63.200 -0.087 0.000 0.988 1145 S HN 0.530 nan 8.310 nan 0.000 0.932 1146 V N 2.453 122.393 119.914 0.042 0.000 2.515 1146 V HA -0.027 4.125 4.120 0.054 0.000 0.250 1146 V C 2.349 178.438 176.094 -0.007 0.000 1.058 1146 V CA 2.370 64.686 62.300 0.027 0.000 1.064 1146 V CB -1.118 30.678 31.823 -0.046 0.000 0.675 1146 V HN 1.472 nan 8.190 nan 0.000 0.461 1147 A N 0.749 123.547 122.820 -0.037 0.000 1.958 1147 A HA -0.074 4.278 4.320 0.054 0.000 0.221 1147 A C 2.363 179.995 177.584 0.081 0.000 1.178 1147 A CA 2.587 54.610 52.037 -0.024 0.000 0.642 1147 A CB -1.010 17.917 19.000 -0.122 0.000 0.816 1147 A HN 1.253 nan 8.150 nan 0.000 0.453 1148 A N -1.693 121.177 122.820 0.083 0.000 2.275 1148 A HA 0.449 4.801 4.320 0.054 0.000 0.212 1148 A C 0.540 178.197 177.584 0.121 0.000 1.201 1148 A CA -0.136 52.010 52.037 0.181 0.000 0.843 1148 A CB -0.134 18.973 19.000 0.177 0.000 0.873 1148 A HN 0.285 nan 8.150 nan 0.000 0.492 1149 L N 2.543 123.806 121.223 0.067 0.000 2.451 1149 L HA 0.129 4.501 4.340 0.054 0.000 0.272 1149 L C 0.059 176.944 176.870 0.025 0.000 1.258 1149 L CA 0.704 55.567 54.840 0.040 0.000 1.132 1149 L CB -1.036 41.037 42.059 0.024 0.000 1.361 1149 L HN 0.104 nan 8.230 nan 0.000 0.438 1150 T N 4.530 119.104 114.554 0.033 0.000 2.737 1150 T HA 0.247 4.629 4.350 0.054 0.000 0.296 1150 T C -2.178 172.508 174.700 -0.023 0.000 0.922 1150 T CA -1.182 60.923 62.100 0.008 0.000 1.079 1150 T CB 0.553 69.430 68.868 0.016 0.000 0.892 1150 T HN 0.209 nan 8.240 nan 0.000 0.514 1151 P HA 0.055 nan 4.420 nan 0.000 0.266 1151 P C 0.905 178.148 177.300 -0.094 0.000 1.193 1151 P CA -0.260 62.794 63.100 -0.078 0.000 0.770 1151 P CB 0.727 32.358 31.700 -0.114 0.000 0.836 1152 K N 2.782 123.137 120.400 -0.074 0.000 2.057 1152 K HA -0.195 4.157 4.320 0.054 0.000 0.207 1152 K C 1.809 178.355 176.600 -0.089 0.000 1.049 1152 K CA 1.782 58.035 56.287 -0.057 0.000 0.931 1152 K CB -0.589 31.894 32.500 -0.029 0.000 0.714 1152 K HN 0.466 nan 8.250 nan 0.000 0.440 1153 A N 0.852 123.587 122.820 -0.142 0.000 1.972 1153 A HA -0.204 4.148 4.320 0.054 0.000 0.219 1153 A C 1.958 179.351 177.584 -0.319 0.000 1.169 1153 A CA 1.768 53.692 52.037 -0.189 0.000 0.635 1153 A CB -0.464 18.415 19.000 -0.201 0.000 0.810 1153 A HN 0.559 nan 8.150 nan 0.000 0.446 1154 E N -0.345 119.586 120.200 -0.448 0.000 2.072 1154 E HA -0.110 4.272 4.350 0.054 0.000 0.190 1154 E C 1.793 178.353 176.600 -0.066 0.000 0.982 1154 E CA 0.964 57.148 56.400 -0.361 0.000 0.803 1154 E CB -0.184 29.367 29.700 -0.247 0.000 0.755 1154 E HN 0.646 nan 8.360 nan 0.000 0.453 1155 I N 0.875 121.407 120.570 -0.063 0.000 2.252 1155 I HA -0.240 3.963 4.170 0.054 0.000 0.245 1155 I C 2.088 178.206 176.117 0.002 0.000 1.102 1155 I CA 1.330 62.620 61.300 -0.017 0.000 1.385 1155 I CB -0.052 37.938 38.000 -0.016 0.000 1.064 1155 I HN 0.148 nan 8.210 nan 0.000 0.414 1156 E N 0.352 120.548 120.200 -0.006 0.000 2.216 1156 E HA -0.004 4.378 4.350 0.054 0.000 0.192 1156 E C 1.298 177.921 176.600 0.037 0.000 0.988 1156 E CA 0.415 56.822 56.400 0.012 0.000 0.834 1156 E CB -0.107 29.596 29.700 0.005 0.000 0.772 1156 E HN 0.496 nan 8.360 nan 0.000 0.479 1157 G N 0.768 109.606 108.800 0.064 0.000 2.653 1157 G HA2 0.055 4.048 3.960 0.054 0.000 0.265 1157 G HA3 0.055 4.048 3.960 0.054 0.000 0.265 1157 G C -0.203 174.762 174.900 0.108 0.000 1.237 1157 G CA -0.513 44.664 45.100 0.128 0.000 0.946 1157 G HN 0.004 nan 8.290 nan 0.000 0.522 1158 E N -1.259 119.000 120.200 0.098 0.000 2.280 1158 E HA 0.251 4.634 4.350 0.054 0.000 0.261 1158 E C -0.124 176.524 176.600 0.079 0.000 1.088 1158 E CA -0.489 55.960 56.400 0.082 0.000 0.915 1158 E CB 1.708 31.452 29.700 0.073 0.000 1.141 1158 E HN 0.232 nan 8.360 nan 0.000 0.433 1159 I N 1.270 121.882 120.570 0.069 0.000 2.452 1159 I HA 0.088 4.290 4.170 0.054 0.000 0.287 1159 I C 1.145 177.279 176.117 0.029 0.000 1.079 1159 I CA 0.990 62.317 61.300 0.045 0.000 1.387 1159 I CB 0.380 38.399 38.000 0.032 0.000 1.404 1159 I HN 0.878 nan 8.210 nan 0.000 0.522 1160 G N 4.028 112.830 108.800 0.003 0.000 2.253 1160 G HA2 -0.197 3.795 3.960 0.054 0.000 0.209 1160 G HA3 -0.197 3.795 3.960 0.054 0.000 0.209 1160 G C -0.014 174.850 174.900 -0.059 0.000 0.997 1160 G CA -0.654 44.434 45.100 -0.021 0.000 0.640 1160 G HN 0.527 nan 8.290 nan 0.000 0.496 1161 D N 1.085 121.436 120.400 -0.081 0.000 2.443 1161 D HA 0.459 5.131 4.640 0.054 0.000 0.239 1161 D C 0.351 176.409 176.300 -0.403 0.000 1.136 1161 D CA 0.727 54.599 54.000 -0.213 0.000 0.879 1161 D CB 1.517 42.200 40.800 -0.196 0.000 1.195 1161 D HN 0.151 nan 8.370 nan 0.000 0.443 1162 S N 1.701 117.159 115.700 -0.402 0.000 2.438 1162 S HA 0.184 4.686 4.470 0.054 0.000 0.293 1162 S C -0.601 173.725 174.600 -0.458 0.000 1.141 1162 S CA -0.657 57.348 58.200 -0.324 0.000 1.080 1162 S CB 0.117 63.230 63.200 -0.146 0.000 0.978 1162 S HN 0.313 nan 8.310 nan 0.000 0.479 1163 H N 5.123 124.194 119.070 0.001 0.000 2.317 1163 H HA 0.236 4.824 4.556 0.054 0.000 0.231 1163 H C -0.317 175.011 175.328 -0.000 0.000 1.442 1163 H CA -0.336 55.712 56.048 0.001 0.000 1.336 1163 H CB -0.063 29.699 29.762 -0.001 0.000 1.533 1163 H HN 0.558 nan 8.280 nan 0.000 0.522 1164 M N 0.442 120.082 119.600 0.067 0.000 2.336 1164 M HA -0.030 4.483 4.480 0.054 0.000 0.371 1164 M C 1.299 177.628 176.300 0.048 0.000 1.542 1164 M CA 1.182 56.508 55.300 0.044 0.000 0.959 1164 M CB 0.364 32.979 32.600 0.026 0.000 2.033 1164 M HN 0.838 nan 8.290 nan 0.000 0.472 1165 G N 3.059 111.881 108.800 0.036 0.000 2.244 1165 G HA2 -0.291 3.701 3.960 0.054 0.000 0.274 1165 G HA3 -0.291 3.701 3.960 0.054 0.000 0.274 1165 G C 0.727 175.642 174.900 0.024 0.000 1.002 1165 G CA 0.606 45.721 45.100 0.025 0.000 0.740 1165 G HN 0.776 nan 8.290 nan 0.000 0.516 1166 L N -0.553 120.693 121.223 0.038 0.000 2.005 1166 L HA 0.062 4.435 4.340 0.054 0.000 0.207 1166 L C 3.169 180.036 176.870 -0.005 0.000 1.072 1166 L CA 2.246 57.097 54.840 0.018 0.000 0.744 1166 L CB -0.581 41.490 42.059 0.019 0.000 0.895 1166 L HN 0.422 nan 8.230 nan 0.000 0.433 1167 A N -0.417 122.400 122.820 -0.005 0.000 1.933 1167 A HA -0.181 4.171 4.320 0.054 0.000 0.218 1167 A C 2.400 179.967 177.584 -0.028 0.000 1.175 1167 A CA 1.653 53.677 52.037 -0.020 0.000 0.628 1167 A CB -0.748 18.242 19.000 -0.015 0.000 0.814 1167 A HN 0.547 nan 8.150 nan 0.000 0.444 1168 A N -0.404 122.405 122.820 -0.017 0.000 1.902 1168 A HA -0.165 4.187 4.320 0.054 0.000 0.217 1168 A C 2.252 179.824 177.584 -0.020 0.000 1.181 1168 A CA 1.770 53.796 52.037 -0.019 0.000 0.623 1168 A CB -0.457 18.540 19.000 -0.005 0.000 0.818 1168 A HN 0.528 nan 8.150 nan 0.000 0.443 1169 R N -1.057 119.436 120.500 -0.011 0.000 2.115 1169 R HA -0.042 4.330 4.340 0.054 0.000 0.230 1169 R C 2.251 178.539 176.300 -0.020 0.000 1.111 1169 R CA 1.489 57.583 56.100 -0.009 0.000 0.976 1169 R CB -0.272 30.028 30.300 0.000 0.000 0.870 1169 R HN 0.660 nan 8.270 nan 0.000 0.445 1170 M N -0.424 119.160 119.600 -0.027 0.000 2.099 1170 M HA -0.170 4.342 4.480 0.054 0.000 0.262 1170 M C 1.706 177.973 176.300 -0.055 0.000 1.067 1170 M CA 1.461 56.740 55.300 -0.034 0.000 1.124 1170 M CB 0.057 32.636 32.600 -0.035 0.000 1.353 1170 M HN 0.182 nan 8.290 nan 0.000 0.410 1171 M N -0.351 119.205 119.600 -0.073 0.000 2.108 1171 M HA -0.179 4.333 4.480 0.054 0.000 0.261 1171 M C 2.444 178.665 176.300 -0.132 0.000 1.066 1171 M CA 1.607 56.833 55.300 -0.123 0.000 1.107 1171 M CB -1.416 31.100 32.600 -0.139 0.000 1.356 1171 M HN 0.392 nan 8.290 nan 0.000 0.406 1172 S N -0.199 115.452 115.700 -0.081 0.000 2.368 1172 S HA -0.207 4.295 4.470 0.054 0.000 0.225 1172 S C 1.894 176.441 174.600 -0.089 0.000 1.030 1172 S CA 1.553 59.714 58.200 -0.064 0.000 0.999 1172 S CB -0.136 63.056 63.200 -0.012 0.000 0.844 1172 S HN 0.547 nan 8.310 nan 0.000 0.459 1173 Q N 0.124 119.887 119.800 -0.061 0.000 2.079 1173 Q HA -0.057 4.315 4.340 0.054 0.000 0.200 1173 Q C 2.214 178.168 176.000 -0.077 0.000 0.974 1173 Q CA 1.349 57.125 55.803 -0.045 0.000 0.840 1173 Q CB -0.430 28.302 28.738 -0.010 0.000 0.898 1173 Q HN 0.623 nan 8.270 nan 0.000 0.430 1174 A N 0.942 123.707 122.820 -0.092 0.000 1.865 1174 A HA -0.235 4.117 4.320 0.054 0.000 0.217 1174 A C 2.063 179.551 177.584 -0.161 0.000 1.191 1174 A CA 1.846 53.830 52.037 -0.088 0.000 0.623 1174 A CB -0.586 18.375 19.000 -0.064 0.000 0.826 1174 A HN 0.422 nan 8.150 nan 0.000 0.444 1175 M N -0.651 118.758 119.600 -0.318 0.000 2.082 1175 M HA -0.165 4.347 4.480 0.054 0.000 0.258 1175 M C 2.165 178.120 176.300 -0.576 0.000 1.069 1175 M CA 1.685 56.600 55.300 -0.640 0.000 1.102 1175 M CB -1.452 30.358 32.600 -1.318 0.000 1.336 1175 M HN 0.419 nan 8.290 nan 0.000 0.404 1176 R N 0.301 120.574 120.500 -0.377 0.000 2.112 1176 R HA -0.179 4.193 4.340 0.054 0.000 0.242 1176 R C 2.325 178.595 176.300 -0.049 0.000 1.137 1176 R CA 1.719 57.763 56.100 -0.095 0.000 0.944 1176 R CB -0.273 30.017 30.300 -0.017 0.000 0.857 1176 R HN 0.451 nan 8.270 nan 0.000 0.435 1177 K N 0.204 120.567 120.400 -0.062 0.000 2.103 1177 K HA -0.076 4.277 4.320 0.054 0.000 0.204 1177 K C 2.182 178.756 176.600 -0.043 0.000 1.052 1177 K CA 1.018 57.285 56.287 -0.032 0.000 0.945 1177 K CB -0.044 32.447 32.500 -0.013 0.000 0.722 1177 K HN 0.163 nan 8.250 nan 0.000 0.443 1178 L N 0.554 121.742 121.223 -0.058 0.000 2.044 1178 L HA -0.093 4.280 4.340 0.054 0.000 0.205 1178 L C 2.632 179.473 176.870 -0.049 0.000 1.075 1178 L CA 0.873 55.690 54.840 -0.039 0.000 0.747 1178 L CB -0.672 41.384 42.059 -0.004 0.000 0.903 1178 L HN 0.145 nan 8.230 nan 0.000 0.435 1179 A N 0.739 123.536 122.820 -0.039 0.000 1.909 1179 A HA -0.288 4.064 4.320 0.054 0.000 0.221 1179 A C 2.355 179.821 177.584 -0.196 0.000 1.223 1179 A CA 2.455 54.495 52.037 0.006 0.000 0.658 1179 A CB -1.581 17.536 19.000 0.194 0.000 0.831 1179 A HN 0.483 nan 8.150 nan 0.000 0.462 1180 G N -0.981 107.617 108.800 -0.336 0.000 2.404 1180 G HA2 -0.262 3.730 3.960 0.054 0.000 0.215 1180 G HA3 -0.262 3.730 3.960 0.054 0.000 0.215 1180 G C 1.442 176.164 174.900 -0.296 0.000 1.174 1180 G CA 1.038 45.757 45.100 -0.634 0.000 0.780 1180 G HN 0.732 nan 8.290 nan 0.000 0.537 1181 N N -0.057 118.557 118.700 -0.145 0.000 2.223 1181 N HA -0.008 4.765 4.740 0.054 0.000 0.185 1181 N C 2.192 177.667 175.510 -0.058 0.000 1.016 1181 N CA 0.432 53.439 53.050 -0.072 0.000 0.863 1181 N CB -0.118 38.345 38.487 -0.041 0.000 0.983 1181 N HN 0.238 nan 8.380 nan 0.000 0.429 1182 L N 0.707 121.893 121.223 -0.062 0.000 2.072 1182 L HA -0.117 4.255 4.340 0.054 0.000 0.205 1182 L C 2.421 179.278 176.870 -0.021 0.000 1.079 1182 L CA 0.878 55.698 54.840 -0.033 0.000 0.752 1182 L CB -0.200 41.850 42.059 -0.016 0.000 0.906 1182 L HN 0.066 nan 8.230 nan 0.000 0.436 1183 K N 0.583 120.961 120.400 -0.036 0.000 2.025 1183 K HA -0.193 4.159 4.320 0.054 0.000 0.207 1183 K C 2.056 178.672 176.600 0.026 0.000 1.049 1183 K CA 1.613 57.911 56.287 0.018 0.000 0.933 1183 K CB -0.238 32.309 32.500 0.079 0.000 0.714 1183 K HN 0.172 nan 8.250 nan 0.000 0.438 1184 Q N -0.518 119.284 119.800 0.005 0.000 2.364 1184 Q HA 0.028 4.400 4.340 0.054 0.000 0.207 1184 Q C 1.113 177.121 176.000 0.014 0.000 0.970 1184 Q CA 1.402 57.218 55.803 0.023 0.000 0.888 1184 Q CB 0.220 28.970 28.738 0.021 0.000 0.951 1184 Q HN 0.236 nan 8.270 nan 0.000 0.469 1185 S N -0.040 115.662 115.700 0.003 0.000 2.524 1185 S HA 0.053 4.556 4.470 0.054 0.000 0.215 1185 S C 0.246 174.847 174.600 0.002 0.000 0.986 1185 S CA -0.066 58.134 58.200 0.001 0.000 0.911 1185 S CB 0.296 63.492 63.200 -0.006 0.000 0.805 1185 S HN 0.453 nan 8.310 nan 0.000 0.501 1186 N N 2.006 120.709 118.700 0.006 0.000 2.735 1186 N HA -0.140 4.632 4.740 0.054 0.000 0.248 1186 N C -1.158 174.350 175.510 -0.003 0.000 1.083 1186 N CA 0.882 53.936 53.050 0.006 0.000 0.703 1186 N CB -1.525 36.967 38.487 0.008 0.000 1.005 1186 N HN 0.257 nan 8.380 nan 0.000 0.550 1187 T N 0.782 115.331 114.554 -0.009 0.000 2.767 1187 T HA 0.437 4.819 4.350 0.054 0.000 0.288 1187 T C 0.253 174.938 174.700 -0.024 0.000 0.963 1187 T CA -0.663 61.425 62.100 -0.021 0.000 1.019 1187 T CB 1.440 70.291 68.868 -0.028 0.000 0.923 1187 T HN 0.293 nan 8.240 nan 0.000 0.468 1188 L N 4.561 125.765 121.223 -0.031 0.000 2.331 1188 L HA 0.557 4.929 4.340 0.054 0.000 0.278 1188 L C -0.825 176.002 176.870 -0.071 0.000 1.106 1188 L CA -0.256 54.563 54.840 -0.036 0.000 0.824 1188 L CB 0.383 42.422 42.059 -0.032 0.000 1.142 1188 L HN 0.628 nan 8.230 nan 0.000 0.443 1189 L N 6.810 127.983 121.223 -0.082 0.000 2.343 1189 L HA 0.536 4.908 4.340 0.054 0.000 0.278 1189 L C -1.030 175.719 176.870 -0.201 0.000 0.996 1189 L CA -0.473 54.257 54.840 -0.184 0.000 0.831 1189 L CB 1.210 43.148 42.059 -0.203 0.000 1.232 1189 L HN 0.669 nan 8.230 nan 0.000 0.413 1190 I N 4.555 124.970 120.570 -0.258 0.000 2.321 1190 I HA 0.276 4.478 4.170 0.054 0.000 0.291 1190 I C -0.812 175.117 176.117 -0.313 0.000 0.998 1190 I CA -0.288 60.904 61.300 -0.181 0.000 1.227 1190 I CB 1.244 39.183 38.000 -0.101 0.000 1.368 1190 I HN 0.393 nan 8.210 nan 0.000 0.466 1191 F N 6.618 126.543 119.950 -0.042 0.000 2.404 1191 F HA 0.462 5.021 4.527 0.054 0.000 0.354 1191 F C 0.391 176.175 175.800 -0.027 0.000 1.122 1191 F CA -0.428 57.543 58.000 -0.049 0.000 1.080 1191 F CB 0.961 39.945 39.000 -0.027 0.000 1.131 1191 F HN 0.215 nan 8.300 nan 0.000 0.471 1192 I N 3.642 124.284 120.570 0.121 0.000 2.395 1192 I HA 0.202 4.405 4.170 0.054 0.000 0.289 1192 I C -0.154 176.022 176.117 0.099 0.000 1.023 1192 I CA -0.085 61.272 61.300 0.095 0.000 1.350 1192 I CB 0.986 39.014 38.000 0.047 0.000 1.409 1192 I HN 0.635 nan 8.210 nan 0.000 0.507 1193 N N 4.365 123.128 118.700 0.105 0.000 2.292 1193 N HA 0.394 5.167 4.740 0.054 0.000 0.303 1193 N C -1.165 174.336 175.510 -0.015 0.000 1.140 1193 N CA -0.688 52.384 53.050 0.037 0.000 0.788 1193 N CB 1.685 40.202 38.487 0.050 0.000 1.361 1193 N HN 0.541 nan 8.380 nan 0.000 0.489 1194 Q N 0.835 120.509 119.800 -0.210 0.000 2.180 1194 Q HA 0.499 4.871 4.340 0.054 0.000 0.241 1194 Q C -0.668 175.130 176.000 -0.337 0.000 0.970 1194 Q CA -0.656 54.838 55.803 -0.514 0.000 0.919 1194 Q CB 2.019 30.051 28.738 -1.175 0.000 1.222 1194 Q HN 0.478 nan 8.270 nan 0.000 0.482 1195 I N 1.403 121.808 120.570 -0.275 0.000 2.359 1195 I HA 0.364 4.566 4.170 0.054 0.000 0.294 1195 I C -0.018 176.070 176.117 -0.048 0.000 0.987 1195 I CA -0.666 60.602 61.300 -0.052 0.000 1.225 1195 I CB 0.822 38.918 38.000 0.160 0.000 1.366 1195 I HN 0.337 nan 8.210 nan 0.000 0.466 1196 R N 4.474 124.940 120.500 -0.057 0.000 2.902 1196 R HA 0.633 5.006 4.340 0.054 0.000 0.258 1196 R C -0.973 175.323 176.300 -0.006 0.000 1.071 1196 R CA -1.344 54.747 56.100 -0.014 0.000 1.024 1196 R CB 1.464 31.740 30.300 -0.041 0.000 1.184 1196 R HN 0.387 nan 8.270 nan 0.000 0.492 1197 M N 1.897 121.499 119.600 0.003 0.000 2.238 1197 M HA 0.248 4.760 4.480 0.054 0.000 0.350 1197 M C -0.192 176.092 176.300 -0.026 0.000 1.138 1197 M CA -0.367 54.928 55.300 -0.009 0.000 1.040 1197 M CB 0.951 33.552 32.600 0.002 0.000 1.639 1197 M HN 0.288 nan 8.290 nan 0.000 0.451 1198 K N 4.723 125.098 120.400 -0.042 0.000 2.144 1198 K HA 0.578 4.931 4.320 0.054 0.000 0.270 1198 K C -0.905 175.661 176.600 -0.058 0.000 1.005 1198 K CA -0.550 55.709 56.287 -0.047 0.000 0.932 1198 K CB 1.518 33.987 32.500 -0.051 0.000 1.021 1198 K HN 0.852 nan 8.250 nan 0.000 0.462 1199 I N -0.202 120.338 120.570 -0.050 0.000 2.465 1199 I HA 0.426 4.628 4.170 0.054 0.000 0.291 1199 I C -0.175 175.909 176.117 -0.055 0.000 1.014 1199 I CA 0.143 61.413 61.300 -0.051 0.000 1.093 1199 I CB 1.528 39.508 38.000 -0.032 0.000 1.267 1199 I HN 1.020 nan 8.210 nan 0.000 0.431 1200 G N 5.114 113.874 108.800 -0.068 0.000 2.288 1200 G HA2 -0.115 3.878 3.960 0.054 0.000 0.205 1200 G HA3 -0.115 3.878 3.960 0.054 0.000 0.205 1200 G C -0.869 173.966 174.900 -0.108 0.000 1.071 1200 G CA 0.046 45.109 45.100 -0.061 0.000 0.788 1200 G HN 1.005 nan 8.290 nan 0.000 0.491 1201 V N 2.034 121.826 119.914 -0.204 0.000 2.524 1201 V HA 0.695 4.848 4.120 0.054 0.000 0.297 1201 V C 1.009 176.837 176.094 -0.444 0.000 1.035 1201 V CA -0.226 61.789 62.300 -0.475 0.000 0.867 1201 V CB 1.208 32.701 31.823 -0.550 0.000 1.004 1201 V HN 0.369 nan 8.190 nan 0.000 0.426 1202 M N 6.006 125.347 119.600 -0.432 0.000 2.615 1202 M HA 0.285 4.797 4.480 0.054 0.000 0.262 1202 M C 0.747 176.967 176.300 -0.132 0.000 1.198 1202 M CA 0.610 55.802 55.300 -0.180 0.000 1.165 1202 M CB -0.478 32.111 32.600 -0.018 0.000 1.310 1202 M HN 0.611 nan 8.290 nan 0.000 0.494 1203 F N 1.670 121.621 119.950 0.002 0.000 2.426 1203 F HA 0.681 5.240 4.527 0.054 0.000 0.309 1203 F C 1.269 177.069 175.800 0.002 0.000 1.246 1203 F CA -0.413 57.587 58.000 0.001 0.000 1.229 1203 F CB -0.911 38.089 39.000 -0.001 0.000 1.255 1203 F HN 0.422 nan 8.300 nan 0.000 0.558 1204 G N 1.116 110.058 108.800 0.236 0.000 2.582 1204 G HA2 -0.291 3.702 3.960 0.054 0.000 0.300 1204 G HA3 -0.291 3.702 3.960 0.054 0.000 0.300 1204 G C -0.682 174.222 174.900 0.007 0.000 1.300 1204 G CA 0.313 45.499 45.100 0.142 0.000 0.959 1204 G HN 1.459 nan 8.290 nan 0.000 0.548 1205 N N 1.047 119.745 118.700 -0.004 0.000 2.272 1205 N HA 0.540 5.312 4.740 0.054 0.000 0.305 1205 N C -1.667 173.806 175.510 -0.063 0.000 1.103 1205 N CA -1.374 51.658 53.050 -0.030 0.000 0.791 1205 N CB 2.443 40.931 38.487 0.001 0.000 1.356 1205 N HN 0.330 nan 8.380 nan 0.000 0.486 1206 P HA 0.146 nan 4.420 nan 0.000 0.249 1206 P C -0.372 176.896 177.300 -0.052 0.000 1.229 1206 P CA 0.380 63.429 63.100 -0.083 0.000 0.788 1206 P CB 0.524 32.181 31.700 -0.073 0.000 1.072 1207 E N 0.259 120.438 120.200 -0.035 0.000 2.366 1207 E HA 0.312 4.694 4.350 0.054 0.000 0.266 1207 E C 0.061 176.615 176.600 -0.077 0.000 1.051 1207 E CA 0.298 56.676 56.400 -0.036 0.000 0.884 1207 E CB 0.729 30.423 29.700 -0.011 0.000 1.006 1207 E HN 0.118 nan 8.360 nan 0.000 0.417 1208 T N 0.004 114.497 114.554 -0.102 0.000 2.618 1208 T HA 0.445 4.828 4.350 0.054 0.000 0.293 1208 T C -0.541 174.037 174.700 -0.203 0.000 1.093 1208 T CA -0.775 61.236 62.100 -0.149 0.000 1.061 1208 T CB 1.706 70.516 68.868 -0.097 0.000 1.498 1208 T HN 0.315 nan 8.240 nan 0.000 0.494 1209 T N 1.633 116.068 114.554 -0.199 0.000 2.909 1209 T HA 0.623 5.005 4.350 0.054 0.000 0.299 1209 T C -0.566 174.051 174.700 -0.139 0.000 1.073 1209 T CA -0.536 61.435 62.100 -0.215 0.000 0.999 1209 T CB 1.550 70.246 68.868 -0.288 0.000 1.098 1209 T HN 0.767 nan 8.240 nan 0.000 0.477 1210 T N 0.986 115.463 114.554 -0.129 0.000 2.868 1210 T HA 0.502 4.884 4.350 0.054 0.000 0.292 1210 T C 1.238 175.886 174.700 -0.086 0.000 1.028 1210 T CA 0.317 62.359 62.100 -0.096 0.000 1.059 1210 T CB 0.639 69.451 68.868 -0.093 0.000 0.991 1210 T HN 1.174 nan 8.240 nan 0.000 0.531 1211 G N 0.271 109.031 108.800 -0.065 0.000 2.204 1211 G HA2 0.269 4.261 3.960 0.054 0.000 0.244 1211 G HA3 0.269 4.261 3.960 0.054 0.000 0.244 1211 G C 0.693 175.557 174.900 -0.060 0.000 1.062 1211 G CA 0.110 45.169 45.100 -0.068 0.000 0.798 1211 G HN 1.857 nan 8.290 nan 0.000 0.496 1212 G N -0.374 108.404 108.800 -0.038 0.000 2.593 1212 G HA2 -0.178 3.814 3.960 0.054 0.000 0.237 1212 G HA3 -0.178 3.814 3.960 0.054 0.000 0.237 1212 G C 0.531 175.438 174.900 0.012 0.000 1.312 1212 G CA 0.499 45.594 45.100 -0.009 0.000 0.896 1212 G HN 0.949 nan 8.290 nan 0.000 0.574 1213 N N 0.345 119.085 118.700 0.067 0.000 2.250 1213 N HA 0.237 5.009 4.740 0.054 0.000 0.190 1213 N C 2.382 178.057 175.510 0.274 0.000 1.116 1213 N CA 1.148 54.290 53.050 0.153 0.000 0.881 1213 N CB 0.301 38.916 38.487 0.214 0.000 1.006 1213 N HN 0.845 nan 8.380 nan 0.000 0.491 1214 A N 1.609 124.548 122.820 0.198 0.000 1.865 1214 A HA -0.150 4.202 4.320 0.054 0.000 0.217 1214 A C 2.166 179.959 177.584 0.348 0.000 1.191 1214 A CA 1.159 53.364 52.037 0.281 0.000 0.623 1214 A CB -0.743 18.320 19.000 0.105 0.000 0.826 1214 A HN 0.197 nan 8.150 nan 0.000 0.444 1215 L N 0.028 121.322 121.223 0.119 0.000 2.079 1215 L HA -0.176 4.196 4.340 0.054 0.000 0.210 1215 L C 2.244 179.189 176.870 0.125 0.000 1.081 1215 L CA 2.261 57.137 54.840 0.061 0.000 0.752 1215 L CB -0.569 41.409 42.059 -0.134 0.000 0.896 1215 L HN 0.396 nan 8.230 nan 0.000 0.433 1216 K N -1.234 119.210 120.400 0.075 0.000 2.074 1216 K HA -0.231 4.121 4.320 0.054 0.000 0.209 1216 K C 2.037 178.590 176.600 -0.079 0.000 1.048 1216 K CA 2.064 58.320 56.287 -0.051 0.000 0.926 1216 K CB -0.459 31.913 32.500 -0.212 0.000 0.713 1216 K HN 0.280 nan 8.250 nan 0.000 0.444 1217 F N -0.723 119.267 119.950 0.067 0.000 2.149 1217 F HA -0.092 4.467 4.527 0.054 0.000 0.294 1217 F C 2.080 177.854 175.800 -0.043 0.000 1.095 1217 F CA 1.027 59.022 58.000 -0.008 0.000 1.276 1217 F CB -0.338 38.623 39.000 -0.066 0.000 1.023 1217 F HN -0.032 nan 8.300 nan 0.000 0.480 1218 Y N 0.163 120.591 120.300 0.214 0.000 2.395 1218 Y HA 0.189 4.771 4.550 0.054 0.000 0.293 1218 Y C 1.663 177.626 175.900 0.104 0.000 1.123 1218 Y CA 0.002 58.188 58.100 0.143 0.000 1.227 1218 Y CB -0.765 37.761 38.460 0.110 0.000 1.012 1218 Y HN -0.116 nan 8.280 nan 0.000 0.552 1219 A N -0.029 122.923 122.820 0.220 0.000 2.546 1219 A HA 0.101 4.453 4.320 0.054 0.000 0.243 1219 A C 1.242 178.873 177.584 0.078 0.000 1.063 1219 A CA 0.556 52.678 52.037 0.141 0.000 0.757 1219 A CB 0.105 19.169 19.000 0.108 0.000 0.991 1219 A HN 0.354 nan 8.150 nan 0.000 0.503 1220 S N 0.579 116.315 115.700 0.061 0.000 2.486 1220 S HA 0.197 4.699 4.470 0.054 0.000 0.220 1220 S C 0.312 174.893 174.600 -0.033 0.000 1.011 1220 S CA 0.443 58.649 58.200 0.011 0.000 0.921 1220 S CB 0.142 63.353 63.200 0.018 0.000 0.785 1220 S HN 0.565 nan 8.310 nan 0.000 0.517 1221 V N 2.425 122.329 119.914 -0.016 0.000 2.733 1221 V HA 0.454 4.607 4.120 0.054 0.000 0.306 1221 V C -0.914 175.167 176.094 -0.022 0.000 1.084 1221 V CA -0.834 61.438 62.300 -0.047 0.000 0.905 1221 V CB 2.124 33.920 31.823 -0.045 0.000 1.010 1221 V HN 0.143 nan 8.190 nan 0.000 0.424 1222 R N 4.310 124.780 120.500 -0.050 0.000 2.480 1222 R HA 0.669 5.042 4.340 0.054 0.000 0.306 1222 R C -1.830 174.407 176.300 -0.104 0.000 0.958 1222 R CA -0.905 55.182 56.100 -0.022 0.000 0.861 1222 R CB 2.249 32.582 30.300 0.055 0.000 1.171 1222 R HN 0.339 nan 8.270 nan 0.000 0.445 1223 L N 2.444 123.571 121.223 -0.160 0.000 2.313 1223 L HA 0.288 4.661 4.340 0.054 0.000 0.283 1223 L C -0.181 176.381 176.870 -0.514 0.000 1.013 1223 L CA -0.524 54.180 54.840 -0.226 0.000 0.816 1223 L CB 1.398 43.389 42.059 -0.114 0.000 1.236 1223 L HN 0.493 nan 8.230 nan 0.000 0.419 1224 D N 4.336 124.445 120.400 -0.485 0.000 2.454 1224 D HA 0.248 4.920 4.640 0.054 0.000 0.225 1224 D C -0.608 175.555 176.300 -0.228 0.000 1.081 1224 D CA -0.214 53.434 54.000 -0.586 0.000 0.864 1224 D CB 0.823 41.418 40.800 -0.343 0.000 1.040 1224 D HN 0.452 nan 8.370 nan 0.000 0.517 1225 I N 3.325 123.798 120.570 -0.162 0.000 2.392 1225 I HA 0.474 4.676 4.170 0.054 0.000 0.295 1225 I C -0.638 175.470 176.117 -0.013 0.000 0.985 1225 I CA -0.625 60.644 61.300 -0.053 0.000 1.221 1225 I CB 0.605 38.611 38.000 0.009 0.000 1.366 1225 I HN 0.244 nan 8.210 nan 0.000 0.467 1226 R N 5.634 126.114 120.500 -0.033 0.000 2.626 1226 R HA 0.378 4.750 4.340 0.054 0.000 0.274 1226 R C -1.094 175.183 176.300 -0.038 0.000 1.031 1226 R CA -0.903 55.190 56.100 -0.013 0.000 0.898 1226 R CB 1.998 32.292 30.300 -0.011 0.000 1.222 1226 R HN 0.569 nan 8.270 nan 0.000 0.455 1227 R N 3.973 124.472 120.500 -0.001 0.000 2.298 1227 R HA 0.182 4.554 4.340 0.054 0.000 0.310 1227 R C 0.677 176.965 176.300 -0.020 0.000 1.068 1227 R CA 0.119 56.218 56.100 -0.001 0.000 0.957 1227 R CB 0.468 30.805 30.300 0.061 0.000 1.003 1227 R HN 0.776 nan 8.270 nan 0.000 0.454 1228 I N 0.443 120.984 120.570 -0.048 0.000 4.181 1228 I HA 0.486 4.688 4.170 0.054 0.000 0.331 1228 I C 0.463 176.551 176.117 -0.048 0.000 1.312 1228 I CA -0.204 61.065 61.300 -0.051 0.000 1.146 1228 I CB 1.046 39.005 38.000 -0.069 0.000 1.074 1228 I HN 0.625 nan 8.210 nan 0.000 0.402 1229 G N 1.045 109.815 108.800 -0.051 0.000 2.495 1229 G HA2 0.667 4.659 3.960 0.054 0.000 0.294 1229 G HA3 0.667 4.659 3.960 0.054 0.000 0.294 1229 G C -1.970 172.888 174.900 -0.070 0.000 1.397 1229 G CA -0.237 44.826 45.100 -0.061 0.000 0.790 1229 G HN 0.294 nan 8.290 nan 0.000 0.486 1230 A N -0.549 122.215 122.820 -0.094 0.000 2.317 1230 A HA 0.722 5.074 4.320 0.054 0.000 0.327 1230 A C -0.254 177.281 177.584 -0.081 0.000 1.178 1230 A CA -0.525 51.449 52.037 -0.105 0.000 0.817 1230 A CB 1.536 20.432 19.000 -0.173 0.000 1.189 1230 A HN 1.321 nan 8.150 nan 0.000 0.489 1231 V N 3.771 123.633 119.914 -0.087 0.000 2.389 1231 V HA 0.196 4.348 4.120 0.054 0.000 0.264 1231 V C 0.363 176.423 176.094 -0.056 0.000 1.049 1231 V CA 0.003 62.257 62.300 -0.077 0.000 0.932 1231 V CB 0.349 32.110 31.823 -0.104 0.000 1.011 1231 V HN 0.849 nan 8.190 nan 0.000 0.475 1232 K N 3.340 123.717 120.400 -0.038 0.000 2.156 1232 K HA 0.486 4.838 4.320 0.054 0.000 0.254 1232 K C -0.135 176.459 176.600 -0.009 0.000 0.950 1232 K CA -0.716 55.560 56.287 -0.020 0.000 0.849 1232 K CB 1.719 34.205 32.500 -0.024 0.000 1.100 1232 K HN 0.475 nan 8.250 nan 0.000 0.434 1233 E N 1.802 122.005 120.200 0.005 0.000 3.312 1233 E HA 0.126 4.508 4.350 0.054 0.000 0.215 1233 E C 0.535 177.141 176.600 0.010 0.000 1.160 1233 E CA -0.139 56.266 56.400 0.009 0.000 1.267 1233 E CB 0.758 30.470 29.700 0.020 0.000 1.361 1233 E HN 1.006 nan 8.360 nan 0.000 0.433 1234 G N 2.603 111.405 108.800 0.003 0.000 4.230 1234 G HA2 -0.431 3.561 3.960 0.054 0.000 0.340 1234 G HA3 -0.431 3.561 3.960 0.054 0.000 0.340 1234 G C 1.165 176.068 174.900 0.006 0.000 1.315 1234 G CA 0.724 45.825 45.100 0.003 0.000 1.033 1234 G HN 0.451 nan 8.290 nan 0.000 0.741 1235 E N 1.878 122.086 120.200 0.013 0.000 2.021 1235 E HA 0.002 4.384 4.350 0.054 0.000 0.189 1235 E C 1.183 177.800 176.600 0.029 0.000 0.980 1235 E CA 0.887 57.298 56.400 0.019 0.000 0.803 1235 E CB -0.372 29.342 29.700 0.022 0.000 0.766 1235 E HN 0.687 nan 8.360 nan 0.000 0.449 1236 N N 0.364 119.088 118.700 0.039 0.000 2.525 1236 N HA 0.109 4.881 4.740 0.054 0.000 0.271 1236 N C -0.775 174.777 175.510 0.070 0.000 1.194 1236 N CA -0.140 52.949 53.050 0.064 0.000 0.964 1236 N CB 1.531 40.061 38.487 0.071 0.000 1.126 1236 N HN -0.199 nan 8.380 nan 0.000 0.452 1237 V N 2.216 122.203 119.914 0.122 0.000 2.320 1237 V HA 0.090 4.243 4.120 0.054 0.000 0.265 1237 V C 0.612 176.854 176.094 0.246 0.000 1.048 1237 V CA -0.253 62.138 62.300 0.153 0.000 0.865 1237 V CB 1.020 32.956 31.823 0.188 0.000 1.043 1237 V HN 0.569 nan 8.190 nan 0.000 0.474 1238 V N 4.414 124.388 119.914 0.099 0.000 3.621 1238 V HA 0.627 4.779 4.120 0.054 0.000 0.285 1238 V C 0.854 176.766 176.094 -0.303 0.000 1.346 1238 V CA 1.231 63.566 62.300 0.058 0.000 1.104 1238 V CB 0.247 32.090 31.823 0.034 0.000 0.913 1238 V HN 0.903 nan 8.190 nan 0.000 0.432 1239 G N -1.175 107.290 108.800 -0.559 0.000 2.506 1239 G HA2 0.461 4.454 3.960 0.054 0.000 0.292 1239 G HA3 0.461 4.454 3.960 0.054 0.000 0.292 1239 G C -1.442 173.137 174.900 -0.535 0.000 1.425 1239 G CA -0.292 44.205 45.100 -1.004 0.000 0.788 1239 G HN -0.007 nan 8.290 nan 0.000 0.490 1240 S N -0.079 115.416 115.700 -0.342 0.000 2.437 1240 S HA 0.494 4.996 4.470 0.054 0.000 0.305 1240 S C -0.317 174.251 174.600 -0.052 0.000 1.109 1240 S CA -0.417 57.769 58.200 -0.024 0.000 1.099 1240 S CB 1.659 64.962 63.200 0.170 0.000 1.004 1240 S HN 0.588 nan 8.310 nan 0.000 0.475 1241 E N 2.206 122.369 120.200 -0.062 0.000 2.290 1241 E HA 0.311 4.694 4.350 0.054 0.000 0.277 1241 E C -0.615 175.904 176.600 -0.136 0.000 1.035 1241 E CA 0.323 56.670 56.400 -0.090 0.000 0.873 1241 E CB 0.542 30.196 29.700 -0.077 0.000 1.029 1241 E HN 0.448 nan 8.360 nan 0.000 0.419 1242 T N 5.013 119.406 114.554 -0.269 0.000 2.876 1242 T HA 0.496 4.879 4.350 0.054 0.000 0.289 1242 T C -0.726 173.647 174.700 -0.545 0.000 1.014 1242 T CA -0.752 61.094 62.100 -0.425 0.000 0.986 1242 T CB 1.224 69.731 68.868 -0.602 0.000 1.021 1242 T HN 0.321 nan 8.240 nan 0.000 0.458 1243 R N 2.187 122.469 120.500 -0.364 0.000 2.513 1243 R HA 0.670 5.042 4.340 0.054 0.000 0.301 1243 R C -1.789 174.398 176.300 -0.188 0.000 0.968 1243 R CA -0.509 55.430 56.100 -0.268 0.000 0.872 1243 R CB 1.315 31.529 30.300 -0.144 0.000 1.177 1243 R HN 0.450 nan 8.270 nan 0.000 0.444 1244 V N 4.764 124.604 119.914 -0.124 0.000 2.417 1244 V HA 0.392 4.544 4.120 0.054 0.000 0.291 1244 V C -0.188 175.896 176.094 -0.017 0.000 1.024 1244 V CA -0.797 61.483 62.300 -0.033 0.000 0.861 1244 V CB 1.740 33.613 31.823 0.082 0.000 0.985 1244 V HN 0.661 nan 8.190 nan 0.000 0.436 1245 K N 2.923 123.302 120.400 -0.035 0.000 2.159 1245 K HA 0.591 4.944 4.320 0.054 0.000 0.266 1245 K C -0.905 175.669 176.600 -0.043 0.000 0.975 1245 K CA -0.688 55.594 56.287 -0.009 0.000 0.865 1245 K CB 2.214 34.728 32.500 0.024 0.000 1.087 1245 K HN 0.459 nan 8.250 nan 0.000 0.446 1246 V N 4.596 124.486 119.914 -0.041 0.000 2.338 1246 V HA 0.001 4.153 4.120 0.054 0.000 0.255 1246 V C 1.100 177.075 176.094 -0.197 0.000 1.082 1246 V CA -0.077 62.155 62.300 -0.114 0.000 0.951 1246 V CB 0.765 32.514 31.823 -0.123 0.000 1.102 1246 V HN 0.667 nan 8.190 nan 0.000 0.489 1247 V N 3.744 123.559 119.914 -0.164 0.000 2.649 1247 V HA 0.074 4.227 4.120 0.054 0.000 0.248 1247 V C 0.962 176.858 176.094 -0.330 0.000 1.054 1247 V CA 1.316 63.536 62.300 -0.134 0.000 1.073 1247 V CB -0.080 31.775 31.823 0.053 0.000 0.699 1247 V HN 0.783 nan 8.190 nan 0.000 0.463 1248 K N 0.785 121.024 120.400 -0.268 0.000 2.468 1248 K HA 0.411 4.763 4.320 0.054 0.000 0.252 1248 K C -1.545 174.892 176.600 -0.271 0.000 0.932 1248 K CA -0.588 55.527 56.287 -0.286 0.000 0.794 1248 K CB 1.766 34.178 32.500 -0.147 0.000 1.241 1248 K HN 0.134 nan 8.250 nan 0.000 0.428 1249 N N 2.950 121.459 118.700 -0.317 0.000 2.519 1249 N HA 0.223 4.995 4.740 0.054 0.000 0.291 1249 N C -0.938 174.408 175.510 -0.274 0.000 1.107 1249 N CA -0.379 52.507 53.050 -0.273 0.000 0.904 1249 N CB 1.713 40.016 38.487 -0.308 0.000 1.500 1249 N HN 0.635 nan 8.380 nan 0.000 0.510 1250 K N 2.386 122.665 120.400 -0.203 0.000 2.358 1250 K HA 0.296 4.648 4.320 0.054 0.000 0.197 1250 K C 0.646 177.109 176.600 -0.228 0.000 1.025 1250 K CA 0.163 56.327 56.287 -0.204 0.000 1.104 1250 K CB 0.542 32.978 32.500 -0.106 0.000 0.855 1250 K HN 0.395 nan 8.250 nan 0.000 0.531 1251 I N -0.356 120.090 120.570 -0.207 0.000 4.312 1251 I HA 0.197 4.399 4.170 0.054 0.000 0.324 1251 I C -0.041 175.980 176.117 -0.160 0.000 1.298 1251 I CA -0.076 61.133 61.300 -0.151 0.000 1.231 1251 I CB 1.197 39.142 38.000 -0.091 0.000 1.152 1251 I HN -0.053 nan 8.210 nan 0.000 0.421 1252 A N -0.333 122.364 122.820 -0.206 0.000 2.536 1252 A HA 0.840 5.192 4.320 0.054 0.000 0.293 1252 A C -0.922 176.511 177.584 -0.253 0.000 1.119 1252 A CA -0.208 51.726 52.037 -0.171 0.000 0.654 1252 A CB -0.042 18.899 19.000 -0.098 0.000 1.291 1252 A HN 0.060 nan 8.150 nan 0.000 0.439 1253 A N 1.337 124.044 122.820 -0.189 0.000 2.540 1253 A HA 0.556 4.908 4.320 0.054 0.000 0.239 1253 A C -1.994 175.396 177.584 -0.323 0.000 1.061 1253 A CA -0.333 51.530 52.037 -0.289 0.000 0.758 1253 A CB -0.733 18.249 19.000 -0.029 0.000 0.991 1253 A HN 0.544 nan 8.150 nan 0.000 0.502 1254 P HA 0.531 nan 4.420 nan 0.000 0.284 1254 P C -0.207 176.938 177.300 -0.259 0.000 1.292 1254 P CA -0.316 62.455 63.100 -0.548 0.000 0.800 1254 P CB 0.202 31.307 31.700 -0.992 0.000 1.188 1255 F N -4.479 115.443 119.950 -0.047 0.000 2.840 1255 F HA -0.198 4.361 4.527 0.053 0.000 0.310 1255 F C 0.650 176.457 175.800 0.013 0.000 0.688 1255 F CA 0.706 58.709 58.000 0.004 0.000 1.286 1255 F CB -2.408 36.622 39.000 0.049 0.000 1.612 1255 F HN 0.223 nan 8.300 nan 0.000 0.335 1256 K N 1.221 121.684 120.400 0.104 0.000 2.126 1256 K HA 0.541 4.893 4.320 0.054 0.000 0.257 1256 K C 0.433 177.067 176.600 0.056 0.000 1.007 1256 K CA -0.411 55.922 56.287 0.077 0.000 0.928 1256 K CB 0.964 33.489 32.500 0.043 0.000 1.013 1256 K HN 0.423 nan 8.250 nan 0.000 0.473 1257 Q N -0.367 119.463 119.800 0.051 0.000 2.456 1257 Q HA 0.744 5.117 4.340 0.054 0.000 0.283 1257 Q C -1.720 174.306 176.000 0.043 0.000 1.084 1257 Q CA -1.325 54.501 55.803 0.039 0.000 0.801 1257 Q CB 2.098 30.856 28.738 0.032 0.000 1.434 1257 Q HN 0.525 nan 8.270 nan 0.000 0.419 1258 A N 1.383 124.234 122.820 0.052 0.000 2.374 1258 A HA 0.569 4.922 4.320 0.054 0.000 0.305 1258 A C -1.209 176.401 177.584 0.043 0.000 1.053 1258 A CA -0.676 51.422 52.037 0.100 0.000 0.726 1258 A CB 1.467 20.586 19.000 0.199 0.000 1.229 1258 A HN 0.715 nan 8.150 nan 0.000 0.431 1259 E N 1.257 121.476 120.200 0.031 0.000 2.171 1259 E HA 0.674 5.057 4.350 0.054 0.000 0.271 1259 E C -1.214 175.400 176.600 0.024 0.000 0.916 1259 E CA -0.339 56.003 56.400 -0.097 0.000 0.774 1259 E CB 1.907 31.565 29.700 -0.071 0.000 1.128 1259 E HN 0.620 nan 8.360 nan 0.000 0.403 1260 F N -1.126 118.814 119.950 -0.016 0.000 2.923 1260 F HA 0.431 4.990 4.527 0.053 0.000 0.323 1260 F C -1.202 174.588 175.800 -0.017 0.000 1.189 1260 F CA -1.241 56.746 58.000 -0.021 0.000 0.930 1260 F CB 0.998 39.986 39.000 -0.020 0.000 1.414 1260 F HN 0.135 nan 8.300 nan 0.000 0.496 1261 Q N 1.269 121.257 119.800 0.313 0.000 2.312 1261 Q HA 0.629 5.001 4.340 0.054 0.000 0.263 1261 Q C -1.193 174.962 176.000 0.258 0.000 0.995 1261 Q CA -0.722 55.177 55.803 0.161 0.000 0.853 1261 Q CB 2.945 31.721 28.738 0.063 0.000 1.300 1261 Q HN 0.570 nan 8.270 nan 0.000 0.448 1262 I N 3.940 124.605 120.570 0.159 0.000 2.306 1262 I HA 0.216 4.419 4.170 0.054 0.000 0.288 1262 I C -0.565 175.532 176.117 -0.033 0.000 1.036 1262 I CA -0.430 60.960 61.300 0.149 0.000 1.221 1262 I CB 0.557 38.693 38.000 0.227 0.000 1.385 1262 I HN 0.381 nan 8.210 nan 0.000 0.472 1263 L N 7.030 128.246 121.223 -0.011 0.000 2.281 1263 L HA 0.293 4.665 4.340 0.054 0.000 0.285 1263 L C -0.489 176.410 176.870 0.047 0.000 1.074 1263 L CA -0.798 53.990 54.840 -0.088 0.000 0.817 1263 L CB 0.102 42.152 42.059 -0.016 0.000 1.168 1263 L HN 0.376 nan 8.230 nan 0.000 0.434 1264 Y N 2.106 122.498 120.300 0.154 0.000 2.717 1264 Y HA 0.181 4.764 4.550 0.055 0.000 0.330 1264 Y C 1.509 177.537 175.900 0.214 0.000 1.217 1264 Y CA 0.424 58.647 58.100 0.205 0.000 1.506 1264 Y CB -0.054 38.496 38.460 0.151 0.000 1.268 1264 Y HN 0.859 nan 8.280 nan 0.000 0.561 1265 G N 1.814 110.928 108.800 0.523 0.000 2.212 1265 G HA2 -0.370 3.622 3.960 0.054 0.000 0.266 1265 G HA3 -0.370 3.622 3.960 0.054 0.000 0.266 1265 G C 0.940 175.884 174.900 0.074 0.000 0.978 1265 G CA 0.765 46.049 45.100 0.307 0.000 0.632 1265 G HN 0.653 nan 8.290 nan 0.000 0.537 1266 E N -1.079 119.165 120.200 0.074 0.000 2.357 1266 E HA 0.464 4.846 4.350 0.054 0.000 0.202 1266 E C 1.377 177.965 176.600 -0.020 0.000 0.855 1266 E CA 1.314 57.723 56.400 0.016 0.000 1.048 1266 E CB 0.620 30.347 29.700 0.044 0.000 1.037 1266 E HN 1.667 nan 8.360 nan 0.000 0.499 1267 G N 0.633 109.448 108.800 0.025 0.000 2.352 1267 G HA2 -0.134 3.858 3.960 0.054 0.000 0.324 1267 G HA3 -0.134 3.858 3.960 0.054 0.000 0.324 1267 G C -0.745 174.185 174.900 0.051 0.000 1.249 1267 G CA -0.447 44.664 45.100 0.019 0.000 1.053 1267 G HN 0.159 nan 8.290 nan 0.000 0.492 1268 I N 1.462 122.043 120.570 0.017 0.000 2.683 1268 I HA 0.036 4.238 4.170 0.054 0.000 0.286 1268 I C 0.693 176.822 176.117 0.019 0.000 1.175 1268 I CA -0.175 61.123 61.300 -0.003 0.000 1.429 1268 I CB 0.613 38.490 38.000 -0.204 0.000 1.371 1268 I HN 0.456 nan 8.210 nan 0.000 0.569 1269 N N 6.572 125.310 118.700 0.062 0.000 2.549 1269 N HA -0.036 4.736 4.740 0.054 0.000 0.267 1269 N C 0.459 175.986 175.510 0.027 0.000 1.182 1269 N CA 0.235 53.322 53.050 0.062 0.000 1.019 1269 N CB -0.014 38.512 38.487 0.065 0.000 1.380 1269 N HN 0.504 nan 8.380 nan 0.000 0.505 1270 F N 3.495 123.344 119.950 -0.168 0.000 2.128 1270 F HA -0.077 4.482 4.527 0.054 0.000 0.295 1270 F C 0.890 176.534 175.800 -0.261 0.000 1.100 1270 F CA 1.350 59.174 58.000 -0.293 0.000 1.260 1270 F CB -0.078 38.638 39.000 -0.473 0.000 1.009 1270 F HN 0.421 nan 8.300 nan 0.000 0.476 1271 Y N 0.409 120.752 120.300 0.072 0.000 2.373 1271 Y HA 0.049 4.632 4.550 0.056 0.000 0.293 1271 Y C 2.648 178.487 175.900 -0.102 0.000 1.129 1271 Y CA 0.866 58.951 58.100 -0.025 0.000 1.226 1271 Y CB -1.327 37.168 38.460 0.058 0.000 1.000 1271 Y HN 0.130 nan 8.280 nan 0.000 0.549 1272 G N 0.061 108.892 108.800 0.051 0.000 2.446 1272 G HA2 -0.269 3.724 3.960 0.054 0.000 0.217 1272 G HA3 -0.269 3.724 3.960 0.054 0.000 0.217 1272 G C 1.507 176.367 174.900 -0.066 0.000 1.168 1272 G CA 1.164 46.258 45.100 -0.010 0.000 0.771 1272 G HN 0.406 nan 8.290 nan 0.000 0.551 1273 E N -0.322 119.799 120.200 -0.132 0.000 2.058 1273 E HA -0.136 4.246 4.350 0.054 0.000 0.194 1273 E C 2.418 178.897 176.600 -0.201 0.000 0.997 1273 E CA 0.890 57.186 56.400 -0.173 0.000 0.801 1273 E CB -0.246 29.285 29.700 -0.283 0.000 0.746 1273 E HN 0.295 nan 8.360 nan 0.000 0.450 1274 L N 0.772 121.815 121.223 -0.300 0.000 2.042 1274 L HA -0.195 4.177 4.340 0.054 0.000 0.210 1274 L C 2.233 179.052 176.870 -0.085 0.000 1.076 1274 L CA 1.397 56.106 54.840 -0.218 0.000 0.749 1274 L CB -0.414 41.535 42.059 -0.182 0.000 0.893 1274 L HN -0.017 nan 8.230 nan 0.000 0.432 1275 V N -0.275 119.602 119.914 -0.062 0.000 2.233 1275 V HA -0.329 3.823 4.120 0.054 0.000 0.247 1275 V C 2.298 178.390 176.094 -0.003 0.000 1.050 1275 V CA 2.109 64.378 62.300 -0.052 0.000 1.010 1275 V CB -0.774 30.961 31.823 -0.147 0.000 0.637 1275 V HN 0.431 nan 8.190 nan 0.000 0.444 1276 D N -0.162 120.231 120.400 -0.012 0.000 2.117 1276 D HA -0.123 4.550 4.640 0.054 0.000 0.197 1276 D C 2.072 178.385 176.300 0.021 0.000 0.987 1276 D CA 0.963 54.977 54.000 0.024 0.000 0.829 1276 D CB -0.270 40.536 40.800 0.011 0.000 0.961 1276 D HN 0.172 nan 8.370 nan 0.000 0.460 1277 L N 0.531 121.747 121.223 -0.013 0.000 2.093 1277 L HA -0.013 4.359 4.340 0.054 0.000 0.208 1277 L C 2.463 179.341 176.870 0.013 0.000 1.085 1277 L CA 1.485 56.319 54.840 -0.010 0.000 0.755 1277 L CB -1.569 40.461 42.059 -0.047 0.000 0.904 1277 L HN 0.073 nan 8.230 nan 0.000 0.435 1278 G N -0.921 107.889 108.800 0.017 0.000 2.404 1278 G HA2 -0.168 3.824 3.960 0.054 0.000 0.215 1278 G HA3 -0.168 3.824 3.960 0.054 0.000 0.215 1278 G C 1.764 176.713 174.900 0.081 0.000 1.174 1278 G CA 0.878 46.006 45.100 0.047 0.000 0.780 1278 G HN 0.238 nan 8.290 nan 0.000 0.537 1279 V N 0.801 120.774 119.914 0.097 0.000 2.343 1279 V HA -0.151 4.001 4.120 0.054 0.000 0.247 1279 V C 2.709 178.847 176.094 0.073 0.000 1.051 1279 V CA 2.210 64.578 62.300 0.113 0.000 1.036 1279 V CB -0.351 31.572 31.823 0.166 0.000 0.654 1279 V HN 0.396 nan 8.190 nan 0.000 0.451 1280 K N -0.161 120.274 120.400 0.059 0.000 2.097 1280 K HA -0.187 4.165 4.320 0.054 0.000 0.206 1280 K C 1.684 178.308 176.600 0.040 0.000 1.049 1280 K CA 1.374 57.687 56.287 0.042 0.000 0.933 1280 K CB 0.002 32.522 32.500 0.033 0.000 0.717 1280 K HN 0.361 nan 8.250 nan 0.000 0.442 1281 E N 0.822 121.049 120.200 0.045 0.000 2.437 1281 E HA -0.008 4.374 4.350 0.054 0.000 0.189 1281 E C -0.262 176.370 176.600 0.054 0.000 1.054 1281 E CA 0.116 56.543 56.400 0.045 0.000 0.874 1281 E CB 0.492 30.218 29.700 0.044 0.000 1.011 1281 E HN 0.180 nan 8.360 nan 0.000 0.474 1282 K N -0.108 120.327 120.400 0.058 0.000 3.088 1282 K HA -0.202 4.150 4.320 0.054 0.000 0.273 1282 K C 0.934 177.583 176.600 0.082 0.000 1.111 1282 K CA 0.460 56.783 56.287 0.060 0.000 0.803 1282 K CB -2.186 30.339 32.500 0.041 0.000 1.226 1282 K HN 0.275 nan 8.250 nan 0.000 0.485 1283 L N -0.501 120.789 121.223 0.113 0.000 2.298 1283 L HA 0.204 4.576 4.340 0.054 0.000 0.209 1283 L C 1.181 178.209 176.870 0.264 0.000 1.084 1283 L CA 0.554 55.502 54.840 0.179 0.000 0.816 1283 L CB 0.135 42.301 42.059 0.180 0.000 0.967 1283 L HN 0.117 nan 8.230 nan 0.000 0.460 1284 I N -0.196 120.496 120.570 0.204 0.000 2.404 1284 I HA 0.198 4.400 4.170 0.054 0.000 0.293 1284 I C -0.186 176.025 176.117 0.156 0.000 0.992 1284 I CA -0.610 60.828 61.300 0.229 0.000 1.149 1284 I CB 2.136 40.261 38.000 0.208 0.000 1.315 1284 I HN -0.104 nan 8.210 nan 0.000 0.446 1285 E N 5.673 125.949 120.200 0.128 0.000 2.331 1285 E HA 0.223 4.606 4.350 0.054 0.000 0.272 1285 E C -0.687 175.918 176.600 0.009 0.000 1.036 1285 E CA -0.189 56.244 56.400 0.054 0.000 0.864 1285 E CB 0.915 30.631 29.700 0.027 0.000 1.035 1285 E HN 0.287 nan 8.360 nan 0.000 0.408 1286 K N 2.696 123.054 120.400 -0.070 0.000 2.572 1286 K HA 0.493 4.845 4.320 0.054 0.000 0.244 1286 K C -1.600 174.909 176.600 -0.151 0.000 0.965 1286 K CA -0.618 55.526 56.287 -0.239 0.000 0.943 1286 K CB 1.080 33.385 32.500 -0.324 0.000 1.154 1286 K HN 0.506 nan 8.250 nan 0.000 0.447 1287 A N 3.449 126.211 122.820 -0.096 0.000 2.880 1287 A HA 0.547 4.900 4.320 0.054 0.000 0.328 1287 A C 0.871 178.453 177.584 -0.003 0.000 1.440 1287 A CA 0.389 52.410 52.037 -0.025 0.000 1.068 1287 A CB -0.237 18.772 19.000 0.014 0.000 1.163 1287 A HN 1.045 nan 8.150 nan 0.000 0.510 1288 G N 1.540 110.307 108.800 -0.054 0.000 3.377 1288 G HA2 -0.118 3.874 3.960 0.054 0.000 0.304 1288 G HA3 -0.118 3.874 3.960 0.054 0.000 0.304 1288 G C 1.323 176.154 174.900 -0.115 0.000 1.366 1288 G CA 0.839 45.910 45.100 -0.048 0.000 1.020 1288 G HN 1.907 nan 8.290 nan 0.000 0.621 1289 A N -0.857 121.905 122.820 -0.097 0.000 2.343 1289 A HA 0.527 4.880 4.320 0.054 0.000 0.223 1289 A C 0.571 177.995 177.584 -0.268 0.000 1.214 1289 A CA 0.442 52.368 52.037 -0.185 0.000 0.900 1289 A CB 0.089 18.981 19.000 -0.181 0.000 0.942 1289 A HN 0.573 nan 8.150 nan 0.000 0.507 1290 W N 0.019 121.224 121.300 -0.157 0.000 2.335 1290 W HA 0.496 5.157 4.660 0.002 0.000 0.306 1290 W C -0.832 175.563 176.519 -0.205 0.000 1.216 1290 W CA -0.083 57.200 57.345 -0.103 0.000 1.237 1290 W CB 0.324 29.742 29.460 -0.069 0.000 1.243 1290 W HN 0.236 nan 8.180 nan 0.000 0.493 1291 Y N 2.932 123.355 120.300 0.205 0.000 2.341 1291 Y HA 0.373 4.953 4.550 0.050 0.000 0.340 1291 Y C 0.538 176.490 175.900 0.087 0.000 0.997 1291 Y CA -0.252 57.908 58.100 0.100 0.000 1.149 1291 Y CB 1.038 39.507 38.460 0.017 0.000 1.171 1291 Y HN 0.144 nan 8.280 nan 0.000 0.494 1292 S N 2.907 118.706 115.700 0.164 0.000 2.532 1292 S HA 0.434 4.936 4.470 0.054 0.000 0.301 1292 S C -1.794 172.870 174.600 0.107 0.000 1.083 1292 S CA -0.793 57.448 58.200 0.069 0.000 1.025 1292 S CB 1.317 64.525 63.200 0.014 0.000 1.056 1292 S HN 0.501 nan 8.310 nan 0.000 0.494 1293 Y N 2.488 122.716 120.300 -0.122 0.000 2.326 1293 Y HA 0.361 4.942 4.550 0.051 0.000 0.329 1293 Y C -0.063 175.808 175.900 -0.048 0.000 0.973 1293 Y CA -1.087 56.967 58.100 -0.077 0.000 1.162 1293 Y CB 0.491 38.886 38.460 -0.108 0.000 1.147 1293 Y HN 0.807 nan 8.280 nan 0.000 0.456 1294 K N 5.042 125.146 120.400 -0.493 0.000 3.278 1294 K HA -0.262 4.090 4.320 0.054 0.000 0.270 1294 K C 0.980 177.456 176.600 -0.208 0.000 0.955 1294 K CA 0.976 57.011 56.287 -0.419 0.000 0.723 1294 K CB -1.623 30.510 32.500 -0.612 0.000 1.382 1294 K HN 1.324 nan 8.250 nan 0.000 0.461 1295 G N 0.217 108.935 108.800 -0.137 0.000 2.417 1295 G HA2 -0.396 3.596 3.960 0.054 0.000 0.233 1295 G HA3 -0.396 3.596 3.960 0.054 0.000 0.233 1295 G C -0.001 174.844 174.900 -0.092 0.000 1.103 1295 G CA 0.501 45.542 45.100 -0.099 0.000 0.647 1295 G HN 0.546 nan 8.290 nan 0.000 0.512 1296 E N 1.928 122.076 120.200 -0.087 0.000 2.316 1296 E HA 0.339 4.722 4.350 0.054 0.000 0.275 1296 E C 0.113 176.647 176.600 -0.110 0.000 1.029 1296 E CA -0.361 55.993 56.400 -0.076 0.000 0.871 1296 E CB 0.244 29.927 29.700 -0.027 0.000 1.022 1296 E HN 0.382 nan 8.360 nan 0.000 0.418 1297 K N 4.984 125.317 120.400 -0.113 0.000 2.322 1297 K HA 0.145 4.497 4.320 0.054 0.000 0.283 1297 K C 0.954 177.463 176.600 -0.152 0.000 1.042 1297 K CA -0.016 56.226 56.287 -0.074 0.000 0.958 1297 K CB 0.777 33.206 32.500 -0.118 0.000 0.984 1297 K HN 0.568 nan 8.250 nan 0.000 0.473 1298 I N -1.829 118.598 120.570 -0.239 0.000 4.181 1298 I HA 0.306 4.508 4.170 0.054 0.000 0.331 1298 I C 0.559 176.522 176.117 -0.256 0.000 1.312 1298 I CA -0.307 60.556 61.300 -0.729 0.000 1.146 1298 I CB 0.961 38.164 38.000 -1.328 0.000 1.074 1298 I HN 0.594 nan 8.210 nan 0.000 0.402 1299 G N 1.157 109.999 108.800 0.069 0.000 2.361 1299 G HA2 0.209 4.202 3.960 0.054 0.000 0.299 1299 G HA3 0.209 4.202 3.960 0.054 0.000 0.299 1299 G C -2.143 172.706 174.900 -0.087 0.000 1.544 1299 G CA -0.695 44.431 45.100 0.044 0.000 0.860 1299 G HN 0.194 nan 8.290 nan 0.000 0.610 1300 Q N 0.189 119.733 119.800 -0.428 0.000 2.325 1300 Q HA 0.557 4.929 4.340 0.054 0.000 0.262 1300 Q C 0.363 176.213 176.000 -0.250 0.000 0.968 1300 Q CA 0.431 55.823 55.803 -0.684 0.000 0.877 1300 Q CB 1.256 29.267 28.738 -1.212 0.000 1.253 1300 Q HN 2.404 nan 8.270 nan 0.000 0.448 1301 G N 3.009 111.793 108.800 -0.027 0.000 2.767 1301 G HA2 -0.261 3.731 3.960 0.054 0.000 0.686 1301 G HA3 -0.261 3.731 3.960 0.054 0.000 0.686 1301 G C 0.088 174.995 174.900 0.012 0.000 1.213 1301 G CA 0.019 45.163 45.100 0.074 0.000 0.803 1301 G HN 0.815 nan 8.290 nan 0.000 0.603 1302 K N 1.167 121.568 120.400 0.000 0.000 2.127 1302 K HA -0.105 4.247 4.320 0.054 0.000 0.208 1302 K C 2.940 179.417 176.600 -0.204 0.000 1.047 1302 K CA 2.612 58.733 56.287 -0.278 0.000 0.927 1302 K CB -0.328 32.114 32.500 -0.097 0.000 0.716 1302 K HN 1.178 nan 8.250 nan 0.000 0.450 1303 A N 1.194 123.955 122.820 -0.099 0.000 1.873 1303 A HA -0.267 4.086 4.320 0.054 0.000 0.218 1303 A C 1.784 179.328 177.584 -0.066 0.000 1.193 1303 A CA 2.251 54.248 52.037 -0.065 0.000 0.629 1303 A CB -0.894 18.081 19.000 -0.041 0.000 0.826 1303 A HN 0.560 nan 8.150 nan 0.000 0.447 1304 N N -0.360 118.294 118.700 -0.077 0.000 2.216 1304 N HA 0.056 4.828 4.740 0.054 0.000 0.183 1304 N C 1.916 177.411 175.510 -0.024 0.000 1.017 1304 N CA 1.031 54.056 53.050 -0.042 0.000 0.861 1304 N CB -0.258 38.197 38.487 -0.053 0.000 0.986 1304 N HN 0.487 nan 8.380 nan 0.000 0.428 1305 A N 0.402 123.140 122.820 -0.136 0.000 1.940 1305 A HA -0.157 4.195 4.320 0.054 0.000 0.219 1305 A C 2.215 179.771 177.584 -0.046 0.000 1.176 1305 A CA 1.799 53.742 52.037 -0.157 0.000 0.631 1305 A CB -1.050 17.614 19.000 -0.559 0.000 0.814 1305 A HN 0.235 nan 8.150 nan 0.000 0.446 1306 T N 0.342 114.845 114.554 -0.085 0.000 2.708 1306 T HA -0.038 4.344 4.350 0.054 0.000 0.266 1306 T C 2.211 176.897 174.700 -0.023 0.000 1.037 1306 T CA 1.625 63.715 62.100 -0.017 0.000 1.146 1306 T CB -0.461 68.405 68.868 -0.004 0.000 0.865 1306 T HN 0.608 nan 8.240 nan 0.000 0.435 1307 A N 0.158 122.973 122.820 -0.008 0.000 1.972 1307 A HA -0.089 4.263 4.320 0.054 0.000 0.219 1307 A C 2.037 179.607 177.584 -0.025 0.000 1.169 1307 A CA 1.322 53.345 52.037 -0.024 0.000 0.635 1307 A CB -1.070 17.933 19.000 0.005 0.000 0.810 1307 A HN 0.704 nan 8.150 nan 0.000 0.446 1308 W N 0.424 121.650 121.300 -0.123 0.000 2.388 1308 W HA -0.093 4.602 4.660 0.059 0.000 0.294 1308 W C 1.703 178.123 176.519 -0.166 0.000 1.212 1308 W CA 1.714 58.997 57.345 -0.104 0.000 1.271 1308 W CB -0.150 29.279 29.460 -0.051 0.000 1.126 1308 W HN 0.251 nan 8.180 nan 0.000 0.535 1309 L N 0.421 121.622 121.223 -0.036 0.000 2.156 1309 L HA -0.168 4.204 4.340 0.054 0.000 0.208 1309 L C 2.458 178.886 176.870 -0.737 0.000 1.095 1309 L CA 1.273 55.939 54.840 -0.291 0.000 0.770 1309 L CB -0.743 41.259 42.059 -0.095 0.000 0.914 1309 L HN -0.114 nan 8.230 nan 0.000 0.439 1310 K N 0.110 120.012 120.400 -0.831 0.000 2.063 1310 K HA -0.213 4.139 4.320 0.054 0.000 0.208 1310 K C 1.610 177.938 176.600 -0.454 0.000 1.048 1310 K CA 1.875 57.709 56.287 -0.755 0.000 0.928 1310 K CB -0.150 32.108 32.500 -0.403 0.000 0.713 1310 K HN 0.224 nan 8.250 nan 0.000 0.442 1311 D N 0.322 120.469 120.400 -0.422 0.000 2.178 1311 D HA -0.067 4.605 4.640 0.054 0.000 0.202 1311 D C -0.188 175.833 176.300 -0.465 0.000 0.974 1311 D CA 0.964 54.731 54.000 -0.390 0.000 0.841 1311 D CB 0.003 40.572 40.800 -0.385 0.000 0.953 1311 D HN 0.138 nan 8.370 nan 0.000 0.478 1312 N N 0.029 118.343 118.700 -0.643 0.000 2.976 1312 N HA 0.203 4.975 4.740 0.054 0.000 0.255 1312 N C -2.181 173.116 175.510 -0.356 0.000 1.312 1312 N CA -1.094 51.608 53.050 -0.579 0.000 0.897 1312 N CB 1.708 39.595 38.487 -0.999 0.000 1.184 1312 N HN -0.030 nan 8.380 nan 0.000 0.497 1313 P HA -0.107 nan 4.420 nan 0.000 0.221 1313 P C 0.880 178.157 177.300 -0.038 0.000 1.150 1313 P CA 1.005 64.049 63.100 -0.094 0.000 0.800 1313 P CB 0.457 32.121 31.700 -0.059 0.000 0.787 1314 E N -0.543 119.619 120.200 -0.062 0.000 2.072 1314 E HA -0.093 4.290 4.350 0.054 0.000 0.191 1314 E C 1.727 178.332 176.600 0.007 0.000 0.985 1314 E CA 1.478 57.867 56.400 -0.019 0.000 0.801 1314 E CB -1.781 27.907 29.700 -0.020 0.000 0.750 1314 E HN 0.257 nan 8.360 nan 0.000 0.452 1315 T N 1.696 116.238 114.554 -0.019 0.000 2.857 1315 T HA 0.021 4.403 4.350 0.054 0.000 0.266 1315 T C 2.074 176.778 174.700 0.007 0.000 1.048 1315 T CA 1.297 63.416 62.100 0.031 0.000 1.139 1315 T CB -0.229 68.676 68.868 0.062 0.000 0.874 1315 T HN 0.310 nan 8.240 nan 0.000 0.455 1316 A N 2.324 125.148 122.820 0.006 0.000 1.883 1316 A HA -0.146 4.206 4.320 0.054 0.000 0.217 1316 A C 2.315 179.972 177.584 0.123 0.000 1.186 1316 A CA 1.266 53.363 52.037 0.099 0.000 0.624 1316 A CB -0.359 18.777 19.000 0.227 0.000 0.822 1316 A HN 0.207 nan 8.150 nan 0.000 0.444 1317 K N -0.187 120.274 120.400 0.102 0.000 2.063 1317 K HA -0.197 4.156 4.320 0.054 0.000 0.208 1317 K C 1.936 178.581 176.600 0.075 0.000 1.048 1317 K CA 1.653 57.993 56.287 0.087 0.000 0.928 1317 K CB -0.484 32.049 32.500 0.056 0.000 0.713 1317 K HN 0.793 nan 8.250 nan 0.000 0.442 1318 E N 0.681 120.924 120.200 0.070 0.000 2.051 1318 E HA -0.145 4.237 4.350 0.054 0.000 0.192 1318 E C 2.125 178.774 176.600 0.082 0.000 0.991 1318 E CA 0.964 57.414 56.400 0.084 0.000 0.799 1318 E CB -0.026 29.744 29.700 0.116 0.000 0.748 1318 E HN 0.231 nan 8.360 nan 0.000 0.449 1319 I N 0.968 121.566 120.570 0.046 0.000 2.226 1319 I HA -0.235 3.967 4.170 0.054 0.000 0.245 1319 I C 2.717 178.859 176.117 0.042 0.000 1.100 1319 I CA 1.166 62.481 61.300 0.024 0.000 1.374 1319 I CB -0.418 37.533 38.000 -0.082 0.000 1.057 1319 I HN 0.247 nan 8.210 nan 0.000 0.413 1320 E N 1.693 121.927 120.200 0.056 0.000 2.058 1320 E HA -0.313 4.069 4.350 0.054 0.000 0.194 1320 E C 2.246 178.881 176.600 0.058 0.000 0.997 1320 E CA 1.584 58.022 56.400 0.063 0.000 0.801 1320 E CB -0.018 29.762 29.700 0.133 0.000 0.746 1320 E HN 0.326 nan 8.360 nan 0.000 0.450 1321 K N 0.622 121.060 120.400 0.063 0.000 2.063 1321 K HA -0.218 4.135 4.320 0.054 0.000 0.208 1321 K C 2.126 178.756 176.600 0.050 0.000 1.048 1321 K CA 1.738 58.057 56.287 0.054 0.000 0.928 1321 K CB 0.032 32.564 32.500 0.053 0.000 0.713 1321 K HN -0.037 nan 8.250 nan 0.000 0.442 1322 K N -0.054 120.381 120.400 0.058 0.000 2.057 1322 K HA -0.067 4.285 4.320 0.054 0.000 0.206 1322 K C 1.964 178.592 176.600 0.047 0.000 1.050 1322 K CA 1.089 57.411 56.287 0.058 0.000 0.935 1322 K CB 0.071 32.619 32.500 0.079 0.000 0.715 1322 K HN -0.037 nan 8.250 nan 0.000 0.439 1323 V N 1.323 121.261 119.914 0.040 0.000 2.332 1323 V HA -0.278 3.874 4.120 0.054 0.000 0.248 1323 V C 2.185 178.293 176.094 0.024 0.000 1.055 1323 V CA 1.752 64.068 62.300 0.026 0.000 1.038 1323 V CB -0.431 31.395 31.823 0.005 0.000 0.651 1323 V HN 0.279 nan 8.190 nan 0.000 0.450 1324 R N -0.247 120.269 120.500 0.027 0.000 2.073 1324 R HA -0.182 4.191 4.340 0.054 0.000 0.234 1324 R C 2.354 178.670 176.300 0.027 0.000 1.134 1324 R CA 1.808 57.923 56.100 0.026 0.000 0.952 1324 R CB -0.346 29.972 30.300 0.031 0.000 0.850 1324 R HN 0.603 nan 8.270 nan 0.000 0.433 1325 E N 0.608 120.826 120.200 0.031 0.000 2.085 1325 E HA -0.206 4.176 4.350 0.054 0.000 0.194 1325 E C 2.021 178.639 176.600 0.030 0.000 0.994 1325 E CA 1.170 57.588 56.400 0.030 0.000 0.801 1325 E CB -0.101 29.619 29.700 0.033 0.000 0.743 1325 E HN 0.280 nan 8.360 nan 0.000 0.453 1326 L N 0.013 121.254 121.223 0.031 0.000 2.093 1326 L HA -0.141 4.231 4.340 0.054 0.000 0.208 1326 L C 2.048 178.935 176.870 0.028 0.000 1.085 1326 L CA 0.882 55.740 54.840 0.030 0.000 0.755 1326 L CB 0.023 42.102 42.059 0.033 0.000 0.904 1326 L HN 0.168 nan 8.230 nan 0.000 0.435 1327 L N -1.432 119.806 121.223 0.025 0.000 2.781 1327 L HA 0.193 4.566 4.340 0.054 0.000 0.245 1327 L C 0.363 177.247 176.870 0.023 0.000 1.118 1327 L CA -0.286 54.569 54.840 0.024 0.000 0.918 1327 L CB 0.556 42.627 42.059 0.020 0.000 1.246 1327 L HN 0.057 nan 8.230 nan 0.000 0.526 1328 L N 0.883 122.119 121.223 0.022 0.000 2.361 1328 L HA 0.072 4.444 4.340 0.054 0.000 0.278 1328 L C 1.564 178.449 176.870 0.024 0.000 1.113 1328 L CA -0.108 54.744 54.840 0.020 0.000 0.849 1328 L CB 1.458 43.528 42.059 0.018 0.000 1.155 1328 L HN 0.192 nan 8.230 nan 0.000 0.452 1329 S N 1.623 117.338 115.700 0.025 0.000 2.428 1329 S HA -0.070 4.433 4.470 0.054 0.000 0.230 1329 S C 0.678 175.298 174.600 0.033 0.000 1.014 1329 S CA 0.403 58.623 58.200 0.033 0.000 0.957 1329 S CB -0.171 63.052 63.200 0.039 0.000 0.784 1329 S HN 0.758 nan 8.310 nan 0.000 0.499 1330 N N 2.305 121.019 118.700 0.023 0.000 2.844 1330 N HA 0.457 5.230 4.740 0.054 0.000 0.268 1330 N C -3.098 172.422 175.510 0.017 0.000 1.574 1330 N CA -1.251 51.813 53.050 0.022 0.000 0.838 1330 N CB 1.524 40.020 38.487 0.015 0.000 1.177 1330 N HN 0.291 nan 8.380 nan 0.000 0.495 1331 P HA 0.140 nan 4.420 nan 0.000 0.275 1331 P C -0.369 176.940 177.300 0.014 0.000 1.266 1331 P CA -0.272 62.838 63.100 0.017 0.000 0.793 1331 P CB 0.457 32.168 31.700 0.019 0.000 1.074 1332 N N -0.848 117.860 118.700 0.013 0.000 4.054 1332 N HA -0.133 4.639 4.740 0.054 0.000 0.317 1332 N C -1.279 174.235 175.510 0.007 0.000 2.176 1332 N CA 1.144 54.200 53.050 0.010 0.000 3.071 1332 N CB -1.459 37.035 38.487 0.011 0.000 0.268 1332 N HN 0.608 nan 8.380 nan 0.000 0.822 2002 I N 1.394 121.964 120.570 -0.000 0.000 2.494 2002 I HA 0.010 4.212 4.170 0.054 0.000 0.250 2002 I C 1.821 177.938 176.117 -0.000 0.000 1.112 2002 I CA 1.513 62.813 61.300 0.000 0.000 1.438 2002 I CB -0.185 37.815 38.000 -0.000 0.000 1.111 2002 I HN 0.425 nan 8.210 nan 0.000 0.431 2003 D N 0.627 121.026 120.400 -0.002 0.000 2.348 2003 D HA -0.104 4.568 4.640 0.054 0.000 0.211 2003 D C 1.618 177.917 176.300 -0.002 0.000 0.998 2003 D CA 0.586 54.585 54.000 -0.002 0.000 0.873 2003 D CB -0.275 40.522 40.800 -0.004 0.000 0.925 2003 D HN 0.334 nan 8.370 nan 0.000 0.524 2004 E N 0.087 120.286 120.200 -0.001 0.000 2.158 2004 E HA -0.014 4.369 4.350 0.054 0.000 0.191 2004 E C 1.645 178.245 176.600 0.000 0.000 0.982 2004 E CA 0.394 56.794 56.400 -0.001 0.000 0.823 2004 E CB 0.003 29.703 29.700 -0.000 0.000 0.766 2004 E HN 0.164 nan 8.360 nan 0.000 0.468 2005 N N 0.904 119.605 118.700 0.001 0.000 2.244 2005 N HA -0.125 4.647 4.740 0.054 0.000 0.183 2005 N C 1.393 176.905 175.510 0.002 0.000 1.016 2005 N CA 0.947 53.998 53.050 0.002 0.000 0.866 2005 N CB 0.052 38.541 38.487 0.003 0.000 0.980 2005 N HN 0.151 nan 8.380 nan 0.000 0.430 2006 K N 0.971 121.372 120.400 0.001 0.000 2.026 2006 K HA -0.087 4.265 4.320 0.054 0.000 0.208 2006 K C 2.058 178.658 176.600 0.001 0.000 1.048 2006 K CA 1.032 57.320 56.287 0.001 0.000 0.929 2006 K CB -0.064 32.435 32.500 -0.001 0.000 0.713 2006 K HN 0.291 nan 8.250 nan 0.000 0.439 2007 Q N 0.699 120.500 119.800 0.001 0.000 2.119 2007 Q HA -0.162 4.210 4.340 0.054 0.000 0.201 2007 Q C 2.115 178.117 176.000 0.002 0.000 0.972 2007 Q CA 1.177 56.980 55.803 0.001 0.000 0.847 2007 Q CB -0.048 28.690 28.738 0.000 0.000 0.903 2007 Q HN 0.232 nan 8.270 nan 0.000 0.433 2008 K N 0.741 121.143 120.400 0.002 0.000 2.044 2008 K HA -0.192 4.160 4.320 0.054 0.000 0.210 2008 K C 1.919 178.522 176.600 0.004 0.000 1.049 2008 K CA 1.465 57.754 56.287 0.003 0.000 0.927 2008 K CB -0.131 32.370 32.500 0.003 0.000 0.713 2008 K HN 0.165 nan 8.250 nan 0.000 0.443 2009 A N 0.801 123.624 122.820 0.004 0.000 2.016 2009 A HA -0.027 4.326 4.320 0.054 0.000 0.217 2009 A C 1.962 179.550 177.584 0.006 0.000 1.162 2009 A CA 0.742 52.782 52.037 0.006 0.000 0.662 2009 A CB -0.371 18.632 19.000 0.005 0.000 0.812 2009 A HN 0.396 nan 8.150 nan 0.000 0.450 2010 L N -0.070 121.156 121.223 0.005 0.000 1.988 2010 L HA -0.029 4.343 4.340 0.054 0.000 0.207 2010 L C 2.672 179.547 176.870 0.009 0.000 1.071 2010 L CA 2.261 57.105 54.840 0.006 0.000 0.744 2010 L CB -0.680 41.381 42.059 0.004 0.000 0.893 2010 L HN 0.291 nan 8.230 nan 0.000 0.433 2011 A N -0.294 122.530 122.820 0.007 0.000 1.940 2011 A HA -0.188 4.165 4.320 0.054 0.000 0.219 2011 A C 2.445 180.035 177.584 0.010 0.000 1.176 2011 A CA 2.006 54.048 52.037 0.008 0.000 0.631 2011 A CB -1.308 17.695 19.000 0.006 0.000 0.814 2011 A HN 0.653 nan 8.150 nan 0.000 0.446 2012 A N -0.266 122.559 122.820 0.008 0.000 1.908 2012 A HA 0.117 4.469 4.320 0.054 0.000 0.218 2012 A C 2.494 180.085 177.584 0.012 0.000 1.181 2012 A CA 2.253 54.295 52.037 0.008 0.000 0.627 2012 A CB -0.944 18.060 19.000 0.007 0.000 0.818 2012 A HN 1.069 nan 8.150 nan 0.000 0.445 2013 A N -0.905 121.924 122.820 0.015 0.000 1.897 2013 A HA 0.111 4.464 4.320 0.054 0.000 0.215 2013 A C 2.032 179.635 177.584 0.031 0.000 1.181 2013 A CA 1.453 53.504 52.037 0.023 0.000 0.620 2013 A CB -0.530 18.483 19.000 0.021 0.000 0.821 2013 A HN 0.383 nan 8.150 nan 0.000 0.443 2014 L N 0.070 121.310 121.223 0.027 0.000 2.046 2014 L HA -0.090 4.283 4.340 0.054 0.000 0.208 2014 L C 2.734 179.623 176.870 0.033 0.000 1.077 2014 L CA 1.885 56.745 54.840 0.033 0.000 0.747 2014 L CB -0.927 41.147 42.059 0.024 0.000 0.896 2014 L HN 0.415 nan 8.230 nan 0.000 0.432 2015 G N -1.354 107.459 108.800 0.021 0.000 2.421 2015 G HA2 -0.356 3.636 3.960 0.054 0.000 0.216 2015 G HA3 -0.356 3.636 3.960 0.054 0.000 0.216 2015 G C 1.497 176.403 174.900 0.010 0.000 1.171 2015 G CA 0.904 46.012 45.100 0.014 0.000 0.775 2015 G HN 0.432 nan 8.290 nan 0.000 0.543 2016 Q N 0.629 120.435 119.800 0.010 0.000 2.096 2016 Q HA -0.071 4.302 4.340 0.054 0.000 0.204 2016 Q C 2.311 178.311 176.000 -0.001 0.000 0.982 2016 Q CA 1.587 57.388 55.803 -0.003 0.000 0.850 2016 Q CB -0.488 28.253 28.738 0.005 0.000 0.901 2016 Q HN 0.540 nan 8.270 nan 0.000 0.422 2017 I N 0.379 120.983 120.570 0.057 0.000 2.179 2017 I HA -0.233 3.969 4.170 0.054 0.000 0.242 2017 I C 2.334 178.534 176.117 0.138 0.000 1.088 2017 I CA 1.620 63.011 61.300 0.151 0.000 1.357 2017 I CB -0.358 37.748 38.000 0.176 0.000 1.051 2017 I HN 0.332 nan 8.210 nan 0.000 0.409 2018 E N 0.633 120.882 120.200 0.083 0.000 2.106 2018 E HA -0.238 4.144 4.350 0.054 0.000 0.192 2018 E C 2.093 178.705 176.600 0.020 0.000 0.984 2018 E CA 0.866 57.307 56.400 0.068 0.000 0.806 2018 E CB -0.071 29.658 29.700 0.048 0.000 0.750 2018 E HN 0.381 nan 8.360 nan 0.000 0.458 2019 K N 0.677 121.066 120.400 -0.018 0.000 2.217 2019 K HA -0.119 4.233 4.320 0.054 0.000 0.202 2019 K C 2.087 178.613 176.600 -0.123 0.000 1.051 2019 K CA 0.819 57.075 56.287 -0.052 0.000 0.952 2019 K CB 0.199 32.670 32.500 -0.048 0.000 0.736 2019 K HN 0.096 nan 8.250 nan 0.000 0.453 2020 Q N -1.133 118.534 119.800 -0.221 0.000 2.165 2020 Q HA -0.018 4.355 4.340 0.054 0.000 0.197 2020 Q C 0.493 176.120 176.000 -0.621 0.000 0.952 2020 Q CA 0.921 56.408 55.803 -0.528 0.000 0.848 2020 Q CB 0.387 28.601 28.738 -0.874 0.000 0.931 2020 Q HN 0.223 nan 8.270 nan 0.000 0.470 2021 F N -0.343 119.612 119.950 0.008 0.000 2.735 2021 F HA 0.378 4.937 4.527 0.054 0.000 0.304 2021 F C 0.757 176.565 175.800 0.013 0.000 1.119 2021 F CA 0.226 58.233 58.000 0.011 0.000 1.280 2021 F CB 0.966 39.973 39.000 0.012 0.000 0.994 2021 F HN 0.036 nan 8.300 nan 0.000 0.520 2022 G N 0.432 109.298 108.800 0.110 0.000 2.710 2022 G HA2 -0.204 3.788 3.960 0.054 0.000 0.668 2022 G HA3 -0.204 3.788 3.960 0.054 0.000 0.668 2022 G C 0.777 175.720 174.900 0.071 0.000 1.320 2022 G CA -0.597 44.550 45.100 0.078 0.000 0.860 2022 G HN -0.008 nan 8.290 nan 0.000 0.538 2023 K N 0.094 120.526 120.400 0.052 0.000 1.976 2023 K HA -0.186 4.166 4.320 0.054 0.000 0.233 2023 K C 1.963 178.592 176.600 0.048 0.000 1.012 2023 K CA 2.166 58.478 56.287 0.042 0.000 1.049 2023 K CB -0.961 31.560 32.500 0.036 0.000 0.722 2023 K HN 1.511 nan 8.250 nan 0.000 0.465 2024 G N 0.985 109.815 108.800 0.050 0.000 4.637 2024 G HA2 0.204 4.197 3.960 0.054 0.000 0.308 2024 G HA3 0.204 4.197 3.960 0.054 0.000 0.308 2024 G C 0.877 175.810 174.900 0.056 0.000 1.377 2024 G CA 0.094 45.223 45.100 0.048 0.000 1.176 2024 G HN 0.325 nan 8.290 nan 0.000 0.601 2025 S N -0.067 115.678 115.700 0.074 0.000 2.423 2025 S HA 0.115 4.618 4.470 0.054 0.000 0.231 2025 S C 0.804 175.434 174.600 0.050 0.000 1.014 2025 S CA 0.327 58.574 58.200 0.078 0.000 0.965 2025 S CB 0.333 63.620 63.200 0.144 0.000 0.785 2025 S HN 0.446 nan 8.310 nan 0.000 0.495 2026 I N 1.302 121.904 120.570 0.053 0.000 2.607 2026 I HA 0.593 4.795 4.170 0.054 0.000 0.290 2026 I C -1.257 174.880 176.117 0.033 0.000 1.129 2026 I CA -1.290 60.032 61.300 0.036 0.000 1.042 2026 I CB 1.900 39.923 38.000 0.037 0.000 1.242 2026 I HN 0.374 nan 8.210 nan 0.000 0.421 2027 M N 4.353 123.968 119.600 0.026 0.000 2.880 2027 M HA 0.588 5.100 4.480 0.054 0.000 0.269 2027 M C -1.257 175.053 176.300 0.016 0.000 1.248 2027 M CA -1.091 54.222 55.300 0.021 0.000 0.821 2027 M CB 1.469 34.081 32.600 0.020 0.000 1.650 2027 M HN 0.298 nan 8.290 nan 0.000 0.479 2028 R N 1.138 121.644 120.500 0.010 0.000 2.442 2028 R HA 0.298 4.670 4.340 0.054 0.000 0.291 2028 R C 0.970 177.269 176.300 -0.001 0.000 1.069 2028 R CA -0.159 55.943 56.100 0.004 0.000 1.022 2028 R CB 0.357 30.657 30.300 0.000 0.000 0.976 2028 R HN 0.702 nan 8.270 nan 0.000 0.443 2029 L N 2.301 123.518 121.223 -0.010 0.000 2.043 2029 L HA -0.188 4.184 4.340 0.054 0.000 0.212 2029 L C 1.793 178.651 176.870 -0.021 0.000 1.075 2029 L CA 2.200 57.026 54.840 -0.023 0.000 0.752 2029 L CB -0.493 41.535 42.059 -0.052 0.000 0.891 2029 L HN 0.992 nan 8.230 nan 0.000 0.432 2030 G N -0.341 108.447 108.800 -0.020 0.000 2.470 2030 G HA2 -0.256 3.736 3.960 0.054 0.000 0.220 2030 G HA3 -0.256 3.736 3.960 0.054 0.000 0.220 2030 G C 1.183 176.077 174.900 -0.009 0.000 1.121 2030 G CA 0.850 45.940 45.100 -0.017 0.000 0.766 2030 G HN 0.725 nan 8.290 nan 0.000 0.553 2031 E N -0.304 119.893 120.200 -0.005 0.000 2.498 2031 E HA 0.088 4.470 4.350 0.054 0.000 0.203 2031 E C -0.304 176.299 176.600 0.004 0.000 1.013 2031 E CA -0.444 55.956 56.400 -0.000 0.000 0.927 2031 E CB 0.235 29.936 29.700 0.001 0.000 1.012 2031 E HN 0.132 nan 8.360 nan 0.000 0.482 2032 D N 1.817 122.219 120.400 0.003 0.000 2.344 2032 D HA 0.040 4.713 4.640 0.054 0.000 0.253 2032 D C 0.725 177.031 176.300 0.009 0.000 1.255 2032 D CA -0.128 53.877 54.000 0.009 0.000 0.894 2032 D CB 0.791 41.597 40.800 0.010 0.000 1.067 2032 D HN -0.055 nan 8.370 nan 0.000 0.492 2033 R N 1.693 122.200 120.500 0.012 0.000 2.090 2033 R HA -0.080 4.293 4.340 0.054 0.000 0.228 2033 R C 1.926 178.236 176.300 0.016 0.000 1.110 2033 R CA 0.772 56.879 56.100 0.012 0.000 0.973 2033 R CB -0.920 29.387 30.300 0.012 0.000 0.869 2033 R HN 0.488 nan 8.270 nan 0.000 0.440 2034 S N -0.374 115.340 115.700 0.023 0.000 2.595 2034 S HA -0.067 4.435 4.470 0.054 0.000 0.235 2034 S C 1.659 176.280 174.600 0.035 0.000 0.974 2034 S CA 0.631 58.849 58.200 0.030 0.000 0.942 2034 S CB -0.040 63.184 63.200 0.040 0.000 0.766 2034 S HN 0.090 nan 8.310 nan 0.000 0.536 2035 M N 1.657 121.272 119.600 0.025 0.000 2.465 2035 M HA 0.293 4.805 4.480 0.054 0.000 0.249 2035 M C -0.630 175.679 176.300 0.015 0.000 1.130 2035 M CA 0.125 55.438 55.300 0.022 0.000 1.067 2035 M CB 0.173 32.778 32.600 0.008 0.000 1.394 2035 M HN 0.035 nan 8.290 nan 0.000 0.483 2036 D N 0.719 121.127 120.400 0.013 0.000 2.414 2036 D HA 0.086 4.758 4.640 0.054 0.000 0.242 2036 D C -0.462 175.844 176.300 0.011 0.000 1.129 2036 D CA 0.187 54.192 54.000 0.010 0.000 0.885 2036 D CB 1.094 41.899 40.800 0.008 0.000 1.198 2036 D HN -0.108 nan 8.370 nan 0.000 0.437 2037 V N 2.608 122.527 119.914 0.008 0.000 2.432 2037 V HA 0.125 4.277 4.120 0.054 0.000 0.271 2037 V C 0.540 176.635 176.094 0.002 0.000 1.046 2037 V CA -0.191 62.112 62.300 0.005 0.000 0.945 2037 V CB 1.093 32.916 31.823 -0.001 0.000 0.992 2037 V HN 0.433 nan 8.190 nan 0.000 0.471 2038 E N 3.603 123.804 120.200 0.001 0.000 2.199 2038 E HA 0.603 4.985 4.350 0.054 0.000 0.269 2038 E C -0.632 175.964 176.600 -0.006 0.000 0.899 2038 E CA -0.477 55.922 56.400 -0.002 0.000 0.772 2038 E CB 2.190 31.890 29.700 -0.001 0.000 1.155 2038 E HN 0.797 nan 8.360 nan 0.000 0.408 2039 T N 1.102 115.651 114.554 -0.009 0.000 2.942 2039 T HA 0.623 5.006 4.350 0.054 0.000 0.289 2039 T C -0.232 174.457 174.700 -0.019 0.000 1.044 2039 T CA -0.856 61.235 62.100 -0.014 0.000 1.023 2039 T CB 1.103 69.962 68.868 -0.014 0.000 1.123 2039 T HN 0.280 nan 8.240 nan 0.000 0.512 2040 I N 1.735 122.290 120.570 -0.023 0.000 2.509 2040 I HA 0.418 4.621 4.170 0.054 0.000 0.293 2040 I C 0.719 176.814 176.117 -0.036 0.000 1.020 2040 I CA -0.715 60.566 61.300 -0.032 0.000 1.088 2040 I CB 1.816 39.795 38.000 -0.034 0.000 1.267 2040 I HN 0.961 nan 8.210 nan 0.000 0.430 2041 S N 2.838 118.510 115.700 -0.047 0.000 2.568 2041 S HA 0.068 4.571 4.470 0.054 0.000 0.282 2041 S C 1.335 175.899 174.600 -0.061 0.000 1.338 2041 S CA 0.379 58.548 58.200 -0.052 0.000 1.045 2041 S CB 0.441 63.592 63.200 -0.082 0.000 0.873 2041 S HN 0.794 nan 8.310 nan 0.000 0.516 2042 T N 1.339 115.860 114.554 -0.054 0.000 3.081 2042 T HA 0.360 4.743 4.350 0.054 0.000 0.255 2042 T C 1.521 176.161 174.700 -0.100 0.000 1.113 2042 T CA 0.643 62.704 62.100 -0.064 0.000 1.082 2042 T CB -0.308 68.529 68.868 -0.053 0.000 0.939 2042 T HN 1.617 nan 8.240 nan 0.000 0.506 2043 G N 0.841 109.572 108.800 -0.114 0.000 2.234 2043 G HA2 -0.239 3.754 3.960 0.054 0.000 0.235 2043 G HA3 -0.239 3.754 3.960 0.054 0.000 0.235 2043 G C 0.238 175.094 174.900 -0.074 0.000 0.997 2043 G CA 0.186 45.191 45.100 -0.158 0.000 0.623 2043 G HN 1.056 nan 8.290 nan 0.000 0.514 2044 S N 0.014 115.634 115.700 -0.134 0.000 2.437 2044 S HA 0.631 5.133 4.470 0.054 0.000 0.305 2044 S C 1.227 175.805 174.600 -0.036 0.000 1.109 2044 S CA 0.101 58.171 58.200 -0.216 0.000 1.099 2044 S CB 1.534 64.326 63.200 -0.679 0.000 1.004 2044 S HN 1.035 nan 8.310 nan 0.000 0.475 2045 L N 5.825 126.999 121.223 -0.081 0.000 2.027 2045 L HA 0.029 4.401 4.340 0.054 0.000 0.206 2045 L C 2.561 179.385 176.870 -0.077 0.000 1.074 2045 L CA 2.694 57.465 54.840 -0.114 0.000 0.745 2045 L CB -1.009 40.751 42.059 -0.498 0.000 0.898 2045 L HN 0.898 nan 8.230 nan 0.000 0.433 2046 S N -1.057 114.598 115.700 -0.075 0.000 2.423 2046 S HA -0.190 4.312 4.470 0.054 0.000 0.231 2046 S C 2.101 176.726 174.600 0.042 0.000 1.014 2046 S CA 1.326 59.528 58.200 0.004 0.000 0.965 2046 S CB -0.969 62.265 63.200 0.056 0.000 0.785 2046 S HN 0.511 nan 8.310 nan 0.000 0.495 2047 L N 1.408 122.658 121.223 0.045 0.000 2.027 2047 L HA -0.100 4.272 4.340 0.054 0.000 0.206 2047 L C 1.987 178.867 176.870 0.016 0.000 1.074 2047 L CA 1.942 56.814 54.840 0.054 0.000 0.745 2047 L CB -0.627 41.460 42.059 0.047 0.000 0.898 2047 L HN 0.239 nan 8.230 nan 0.000 0.433 2048 D N 0.121 120.523 120.400 0.003 0.000 2.182 2048 D HA -0.204 4.468 4.640 0.054 0.000 0.201 2048 D C 2.133 178.436 176.300 0.004 0.000 0.986 2048 D CA 1.369 55.372 54.000 0.004 0.000 0.847 2048 D CB -0.057 40.754 40.800 0.018 0.000 0.942 2048 D HN 0.398 nan 8.370 nan 0.000 0.467 2049 I N 0.928 121.501 120.570 0.006 0.000 2.233 2049 I HA -0.190 4.013 4.170 0.054 0.000 0.243 2049 I C 2.508 178.630 176.117 0.009 0.000 1.093 2049 I CA 0.911 62.215 61.300 0.008 0.000 1.380 2049 I CB -0.238 37.766 38.000 0.007 0.000 1.067 2049 I HN -0.097 nan 8.210 nan 0.000 0.413 2050 A N 0.811 123.640 122.820 0.015 0.000 1.940 2050 A HA -0.184 4.168 4.320 0.054 0.000 0.219 2050 A C 2.262 179.839 177.584 -0.012 0.000 1.176 2050 A CA 1.535 53.579 52.037 0.012 0.000 0.631 2050 A CB -0.971 18.045 19.000 0.026 0.000 0.814 2050 A HN 0.423 nan 8.150 nan 0.000 0.446 2051 L N -1.589 119.624 121.223 -0.017 0.000 2.456 2051 L HA 0.029 4.402 4.340 0.054 0.000 0.224 2051 L C 2.151 178.994 176.870 -0.044 0.000 1.148 2051 L CA 0.663 55.480 54.840 -0.039 0.000 0.825 2051 L CB -0.332 41.708 42.059 -0.031 0.000 0.937 2051 L HN 0.660 nan 8.230 nan 0.000 0.450 2052 G N -0.258 108.527 108.800 -0.025 0.000 2.990 2052 G HA2 -0.434 3.558 3.960 0.054 0.000 0.225 2052 G HA3 -0.434 3.558 3.960 0.054 0.000 0.225 2052 G C 1.026 175.918 174.900 -0.013 0.000 1.304 2052 G CA 0.435 45.523 45.100 -0.020 0.000 0.816 2052 G HN 0.457 nan 8.290 nan 0.000 0.528 2053 A N 0.637 123.443 122.820 -0.022 0.000 2.275 2053 A HA 0.583 4.935 4.320 0.054 0.000 0.212 2053 A C 2.433 180.012 177.584 -0.008 0.000 1.201 2053 A CA 1.764 53.792 52.037 -0.015 0.000 0.843 2053 A CB -0.522 18.464 19.000 -0.023 0.000 0.873 2053 A HN 2.631 nan 8.150 nan 0.000 0.492 2054 G N -2.617 106.179 108.800 -0.007 0.000 2.141 2054 G HA2 0.281 4.273 3.960 0.054 0.000 0.242 2054 G HA3 0.281 4.273 3.960 0.054 0.000 0.242 2054 G C 0.855 175.753 174.900 -0.005 0.000 0.982 2054 G CA 0.331 45.431 45.100 -0.000 0.000 0.662 2054 G HN 2.185 nan 8.290 nan 0.000 0.527 2055 G N -1.589 107.203 108.800 -0.013 0.000 2.324 2055 G HA2 0.510 4.502 3.960 0.054 0.000 0.293 2055 G HA3 0.510 4.502 3.960 0.054 0.000 0.293 2055 G C -0.670 174.217 174.900 -0.023 0.000 1.297 2055 G CA -0.498 44.592 45.100 -0.018 0.000 0.853 2055 G HN 0.881 nan 8.290 nan 0.000 0.535 2056 L N 1.752 122.961 121.223 -0.024 0.000 2.397 2056 L HA 0.422 4.795 4.340 0.054 0.000 0.271 2056 L C -1.793 175.065 176.870 -0.020 0.000 1.148 2056 L CA -1.584 53.242 54.840 -0.023 0.000 0.825 2056 L CB 1.274 43.320 42.059 -0.022 0.000 1.117 2056 L HN 0.313 nan 8.230 nan 0.000 0.456 2057 P HA 0.208 nan 4.420 nan 0.000 0.290 2057 P C -0.827 176.470 177.300 -0.005 0.000 1.276 2057 P CA -0.612 62.482 63.100 -0.010 0.000 0.808 2057 P CB 1.018 32.712 31.700 -0.009 0.000 0.966 2058 M N 1.792 121.390 119.600 -0.004 0.000 2.238 2058 M HA 0.254 4.766 4.480 0.054 0.000 0.347 2058 M C 1.560 177.864 176.300 0.007 0.000 1.173 2058 M CA 0.715 56.014 55.300 -0.003 0.000 1.147 2058 M CB -0.537 32.061 32.600 -0.004 0.000 1.547 2058 M HN 0.845 nan 8.290 nan 0.000 0.455 2059 G N 2.392 111.195 108.800 0.005 0.000 2.159 2059 G HA2 -0.200 3.792 3.960 0.054 0.000 0.256 2059 G HA3 -0.200 3.792 3.960 0.054 0.000 0.256 2059 G C 0.177 175.095 174.900 0.031 0.000 0.977 2059 G CA -0.084 45.026 45.100 0.015 0.000 0.652 2059 G HN 0.544 nan 8.290 nan 0.000 0.531 2060 R N -0.653 119.865 120.500 0.030 0.000 2.902 2060 R HA 0.770 5.142 4.340 0.054 0.000 0.258 2060 R C 0.214 176.548 176.300 0.058 0.000 1.071 2060 R CA -1.169 54.964 56.100 0.053 0.000 1.024 2060 R CB 0.830 31.156 30.300 0.044 0.000 1.184 2060 R HN 0.221 nan 8.270 nan 0.000 0.492 2061 I N 0.727 121.359 120.570 0.103 0.000 2.385 2061 I HA 0.356 4.558 4.170 0.054 0.000 0.294 2061 I C -0.225 175.969 176.117 0.128 0.000 0.988 2061 I CA -0.803 60.582 61.300 0.142 0.000 1.265 2061 I CB 1.709 39.852 38.000 0.238 0.000 1.388 2061 I HN -0.032 nan 8.210 nan 0.000 0.480 2062 V N 5.323 125.312 119.914 0.124 0.000 2.789 2062 V HA 0.390 4.543 4.120 0.054 0.000 0.311 2062 V C -0.521 175.663 176.094 0.150 0.000 1.073 2062 V CA -0.651 61.706 62.300 0.095 0.000 0.921 2062 V CB 2.156 34.000 31.823 0.035 0.000 1.009 2062 V HN 0.743 nan 8.190 nan 0.000 0.426 2063 E N 3.659 123.938 120.200 0.132 0.000 2.210 2063 E HA 0.649 5.032 4.350 0.054 0.000 0.266 2063 E C -1.650 175.009 176.600 0.098 0.000 0.883 2063 E CA -0.633 55.866 56.400 0.165 0.000 0.761 2063 E CB 1.792 31.604 29.700 0.187 0.000 1.156 2063 E HN 0.632 nan 8.360 nan 0.000 0.412 2064 I N 5.392 126.019 120.570 0.095 0.000 2.389 2064 I HA 0.330 4.532 4.170 0.054 0.000 0.288 2064 I C -0.865 175.311 176.117 0.098 0.000 0.999 2064 I CA -0.899 60.414 61.300 0.022 0.000 1.129 2064 I CB 0.765 38.783 38.000 0.030 0.000 1.288 2064 I HN 0.469 nan 8.210 nan 0.000 0.444 2065 Y N 4.125 124.457 120.300 0.053 0.000 2.602 2065 Y HA 1.016 5.598 4.550 0.054 0.000 0.342 2065 Y C -0.115 175.831 175.900 0.077 0.000 1.029 2065 Y CA -1.344 56.786 58.100 0.051 0.000 1.080 2065 Y CB 1.795 40.270 38.460 0.024 0.000 1.284 2065 Y HN 0.679 nan 8.280 nan 0.000 0.485 2066 G N 0.392 109.416 108.800 0.373 0.000 2.316 2066 G HA2 0.444 4.437 3.960 0.054 0.000 0.296 2066 G HA3 0.444 4.437 3.960 0.054 0.000 0.296 2066 G C -3.562 171.560 174.900 0.370 0.000 1.399 2066 G CA -1.315 43.963 45.100 0.297 0.000 0.833 2066 G HN 0.507 nan 8.290 nan 0.000 0.565 2067 P HA 0.320 nan 4.420 nan 0.000 0.274 2067 P C -0.302 177.030 177.300 0.054 0.000 1.260 2067 P CA -0.317 62.909 63.100 0.211 0.000 0.793 2067 P CB 0.270 32.013 31.700 0.072 0.000 1.048 2068 E N -0.584 119.300 120.200 -0.526 0.000 2.413 2068 E HA 0.161 4.543 4.350 0.054 0.000 0.263 2068 E C 0.114 176.631 176.600 -0.137 0.000 1.015 2068 E CA -0.107 55.998 56.400 -0.492 0.000 0.916 2068 E CB -0.705 28.521 29.700 -0.789 0.000 0.947 2068 E HN 0.277 nan 8.360 nan 0.000 0.440 2069 S N 0.560 116.236 115.700 -0.039 0.000 3.533 2069 S HA -0.229 4.273 4.470 0.054 0.000 0.347 2069 S C 0.989 175.633 174.600 0.074 0.000 1.101 2069 S CA 0.983 59.190 58.200 0.012 0.000 1.009 2069 S CB -1.755 61.425 63.200 -0.033 0.000 0.916 2069 S HN 0.730 nan 8.310 nan 0.000 0.496 2070 S N -0.338 115.416 115.700 0.090 0.000 2.478 2070 S HA 0.428 4.930 4.470 0.054 0.000 0.222 2070 S C 1.556 176.230 174.600 0.122 0.000 1.008 2070 S CA 0.823 59.083 58.200 0.100 0.000 0.928 2070 S CB 0.483 63.741 63.200 0.098 0.000 0.781 2070 S HN 1.919 nan 8.310 nan 0.000 0.518 2071 G N 1.096 109.983 108.800 0.144 0.000 2.155 2071 G HA2 -0.154 3.839 3.960 0.054 0.000 0.130 2071 G HA3 -0.154 3.839 3.960 0.054 0.000 0.130 2071 G C 0.604 175.607 174.900 0.171 0.000 1.027 2071 G CA 0.073 45.280 45.100 0.178 0.000 0.705 2071 G HN 0.418 nan 8.290 nan 0.000 0.496 2072 K N 0.074 120.565 120.400 0.152 0.000 1.985 2072 K HA -0.067 4.285 4.320 0.054 0.000 0.210 2072 K C 2.563 179.253 176.600 0.150 0.000 1.047 2072 K CA 2.013 58.384 56.287 0.140 0.000 0.932 2072 K CB -0.406 32.178 32.500 0.139 0.000 0.716 2072 K HN 0.293 nan 8.250 nan 0.000 0.439 2073 T N 0.902 115.558 114.554 0.170 0.000 2.674 2073 T HA -0.151 4.232 4.350 0.054 0.000 0.265 2073 T C 2.050 176.865 174.700 0.191 0.000 1.039 2073 T CA 1.911 64.137 62.100 0.209 0.000 1.150 2073 T CB -0.577 68.417 68.868 0.210 0.000 0.864 2073 T HN 0.265 nan 8.240 nan 0.000 0.427 2074 T N 2.371 117.042 114.554 0.195 0.000 2.624 2074 T HA -0.113 4.269 4.350 0.054 0.000 0.268 2074 T C 1.933 176.710 174.700 0.127 0.000 1.041 2074 T CA 1.397 63.612 62.100 0.191 0.000 1.159 2074 T CB -0.650 68.368 68.868 0.250 0.000 0.863 2074 T HN 0.204 nan 8.240 nan 0.000 0.434 2075 L N 0.298 121.603 121.223 0.137 0.000 1.989 2075 L HA -0.178 4.194 4.340 0.054 0.000 0.211 2075 L C 2.709 179.616 176.870 0.062 0.000 1.071 2075 L CA 1.798 56.693 54.840 0.091 0.000 0.749 2075 L CB -0.895 41.239 42.059 0.125 0.000 0.890 2075 L HN 0.249 nan 8.230 nan 0.000 0.431 2076 T N 0.175 114.785 114.554 0.094 0.000 2.592 2076 T HA -0.301 4.081 4.350 0.054 0.000 0.267 2076 T C 1.797 176.556 174.700 0.098 0.000 1.060 2076 T CA 2.363 64.525 62.100 0.103 0.000 1.167 2076 T CB -0.428 68.540 68.868 0.167 0.000 0.863 2076 T HN 0.314 nan 8.240 nan 0.000 0.431 2077 L N 0.716 121.999 121.223 0.100 0.000 2.083 2077 L HA -0.133 4.240 4.340 0.054 0.000 0.209 2077 L C 3.029 179.887 176.870 -0.020 0.000 1.083 2077 L CA 1.110 55.968 54.840 0.030 0.000 0.752 2077 L CB -0.553 41.492 42.059 -0.023 0.000 0.899 2077 L HN 0.254 nan 8.230 nan 0.000 0.433 2078 Q N -0.321 119.464 119.800 -0.026 0.000 2.084 2078 Q HA -0.191 4.181 4.340 0.054 0.000 0.202 2078 Q C 2.475 178.430 176.000 -0.074 0.000 0.978 2078 Q CA 1.982 57.744 55.803 -0.068 0.000 0.844 2078 Q CB -0.691 28.000 28.738 -0.078 0.000 0.898 2078 Q HN 0.582 nan 8.270 nan 0.000 0.426 2079 V N -0.681 119.205 119.914 -0.046 0.000 2.358 2079 V HA -0.205 3.947 4.120 0.054 0.000 0.246 2079 V C 2.121 178.189 176.094 -0.044 0.000 1.047 2079 V CA 1.243 63.513 62.300 -0.050 0.000 1.035 2079 V CB -0.549 31.254 31.823 -0.033 0.000 0.658 2079 V HN 0.222 nan 8.190 nan 0.000 0.452 2080 I N 1.168 121.726 120.570 -0.020 0.000 2.127 2080 I HA -0.216 3.987 4.170 0.054 0.000 0.241 2080 I C 3.013 179.104 176.117 -0.044 0.000 1.075 2080 I CA 1.946 63.236 61.300 -0.016 0.000 1.334 2080 I CB -0.846 37.166 38.000 0.019 0.000 1.040 2080 I HN 0.438 nan 8.210 nan 0.000 0.405 2081 A N 0.742 123.525 122.820 -0.062 0.000 1.892 2081 A HA -0.278 4.074 4.320 0.054 0.000 0.218 2081 A C 2.530 180.058 177.584 -0.094 0.000 1.188 2081 A CA 2.342 54.329 52.037 -0.083 0.000 0.631 2081 A CB -1.056 17.883 19.000 -0.101 0.000 0.822 2081 A HN 0.477 nan 8.150 nan 0.000 0.447 2082 A N -0.437 122.318 122.820 -0.109 0.000 1.902 2082 A HA 0.156 4.508 4.320 0.054 0.000 0.217 2082 A C 2.515 180.043 177.584 -0.094 0.000 1.181 2082 A CA 2.214 54.175 52.037 -0.127 0.000 0.623 2082 A CB -1.015 17.896 19.000 -0.149 0.000 0.818 2082 A HN 1.133 nan 8.150 nan 0.000 0.443 2083 A N -0.822 121.955 122.820 -0.072 0.000 1.898 2083 A HA -0.193 4.159 4.320 0.054 0.000 0.216 2083 A C 2.125 179.679 177.584 -0.049 0.000 1.181 2083 A CA 1.594 53.598 52.037 -0.054 0.000 0.620 2083 A CB -0.537 18.437 19.000 -0.042 0.000 0.819 2083 A HN 0.647 nan 8.150 nan 0.000 0.442 2084 Q N -1.207 118.564 119.800 -0.050 0.000 2.119 2084 Q HA -0.148 4.224 4.340 0.054 0.000 0.201 2084 Q C 2.234 178.204 176.000 -0.050 0.000 0.972 2084 Q CA 1.348 57.124 55.803 -0.045 0.000 0.847 2084 Q CB -0.137 28.574 28.738 -0.045 0.000 0.903 2084 Q HN 0.541 nan 8.270 nan 0.000 0.433 2085 R N 1.096 121.558 120.500 -0.063 0.000 2.249 2085 R HA -0.129 4.243 4.340 0.054 0.000 0.230 2085 R C 0.447 176.713 176.300 -0.057 0.000 1.121 2085 R CA 1.071 57.131 56.100 -0.067 0.000 0.997 2085 R CB 0.197 30.443 30.300 -0.090 0.000 0.867 2085 R HN 0.250 nan 8.270 nan 0.000 0.465 2086 E N -1.652 118.517 120.200 -0.052 0.000 2.685 2086 E HA 0.198 4.581 4.350 0.054 0.000 0.208 2086 E C 0.150 176.730 176.600 -0.033 0.000 0.996 2086 E CA 0.270 56.644 56.400 -0.043 0.000 1.054 2086 E CB 1.113 30.786 29.700 -0.045 0.000 1.075 2086 E HN 0.392 nan 8.360 nan 0.000 0.460 2087 G N 2.230 111.011 108.800 -0.032 0.000 2.160 2087 G HA2 -0.325 3.667 3.960 0.054 0.000 0.251 2087 G HA3 -0.325 3.667 3.960 0.054 0.000 0.251 2087 G C 0.078 174.964 174.900 -0.023 0.000 1.008 2087 G CA 0.296 45.381 45.100 -0.025 0.000 0.724 2087 G HN 0.160 nan 8.290 nan 0.000 0.514 2088 K N 0.429 120.813 120.400 -0.026 0.000 2.118 2088 K HA 0.506 4.859 4.320 0.054 0.000 0.267 2088 K C 0.132 176.719 176.600 -0.021 0.000 0.991 2088 K CA -0.280 55.993 56.287 -0.023 0.000 0.916 2088 K CB 0.994 33.479 32.500 -0.026 0.000 1.041 2088 K HN 0.116 nan 8.250 nan 0.000 0.455 2089 T N 1.711 116.255 114.554 -0.017 0.000 2.806 2089 T HA 0.293 4.676 4.350 0.054 0.000 0.290 2089 T C -0.281 174.411 174.700 -0.013 0.000 0.966 2089 T CA -0.515 61.577 62.100 -0.014 0.000 1.060 2089 T CB 0.262 69.123 68.868 -0.011 0.000 0.927 2089 T HN 0.531 nan 8.240 nan 0.000 0.485 2090 C N 2.379 121.674 119.300 -0.007 0.000 2.634 2090 C HA 0.947 5.439 4.460 0.054 0.000 0.313 2090 C C 0.352 175.351 174.990 0.015 0.000 1.198 2090 C CA -1.000 58.018 59.018 0.000 0.000 1.605 2090 C CB 0.908 28.653 27.740 0.009 0.000 2.196 2090 C HN 1.051 nan 8.230 nan 0.000 0.486 2091 A N 1.397 124.226 122.820 0.013 0.000 2.386 2091 A HA 0.870 5.223 4.320 0.054 0.000 0.311 2091 A C -1.410 176.211 177.584 0.061 0.000 1.068 2091 A CA -0.267 51.786 52.037 0.028 0.000 0.743 2091 A CB 0.971 19.962 19.000 -0.015 0.000 1.258 2091 A HN 0.834 nan 8.150 nan 0.000 0.429 2092 F N 3.406 123.317 119.950 -0.065 0.000 2.460 2092 F HA 0.567 5.126 4.527 0.054 0.000 0.341 2092 F C -0.745 175.007 175.800 -0.081 0.000 1.130 2092 F CA -0.875 57.082 58.000 -0.071 0.000 0.962 2092 F CB 1.309 40.276 39.000 -0.055 0.000 1.171 2092 F HN 0.376 nan 8.300 nan 0.000 0.436 2093 I N 4.903 125.246 120.570 -0.380 0.000 2.307 2093 I HA 0.134 4.336 4.170 0.054 0.000 0.287 2093 I C -0.225 175.714 176.117 -0.295 0.000 1.054 2093 I CA -0.359 60.793 61.300 -0.247 0.000 1.218 2093 I CB 0.601 38.457 38.000 -0.240 0.000 1.398 2093 I HN 0.511 nan 8.210 nan 0.000 0.475 2094 D N 5.351 125.723 120.400 -0.046 0.000 2.631 2094 D HA 0.358 5.031 4.640 0.054 0.000 0.227 2094 D C 1.244 177.433 176.300 -0.186 0.000 1.146 2094 D CA -0.088 53.931 54.000 0.033 0.000 1.009 2094 D CB 0.827 41.751 40.800 0.205 0.000 1.057 2094 D HN 0.596 nan 8.370 nan 0.000 0.509 2095 A N 2.306 125.047 122.820 -0.131 0.000 2.067 2095 A HA -0.103 4.249 4.320 0.054 0.000 0.219 2095 A C 1.902 179.562 177.584 0.127 0.000 1.158 2095 A CA 0.743 52.750 52.037 -0.050 0.000 0.661 2095 A CB -0.201 18.800 19.000 0.001 0.000 0.801 2095 A HN 0.523 nan 8.150 nan 0.000 0.452 2096 E N -1.145 119.104 120.200 0.080 0.000 2.435 2096 E HA -0.070 4.313 4.350 0.054 0.000 0.195 2096 E C -0.497 176.261 176.600 0.263 0.000 1.029 2096 E CA 0.002 56.486 56.400 0.141 0.000 0.865 2096 E CB -0.104 29.608 29.700 0.020 0.000 0.833 2096 E HN 0.684 nan 8.360 nan 0.000 0.510 2097 H N -1.980 117.155 119.070 0.109 0.000 2.756 2097 H HA -0.204 4.385 4.556 0.054 0.000 0.315 2097 H C -0.007 175.376 175.328 0.093 0.000 1.210 2097 H CA 0.629 56.739 56.048 0.103 0.000 1.150 2097 H CB -1.409 28.414 29.762 0.101 0.000 1.463 2097 H HN 0.267 nan 8.280 nan 0.000 0.427 2098 A N 0.288 123.196 122.820 0.147 0.000 2.704 2098 A HA 0.224 4.576 4.320 0.054 0.000 0.260 2098 A C 0.443 178.064 177.584 0.061 0.000 1.144 2098 A CA -0.380 51.719 52.037 0.104 0.000 0.985 2098 A CB 0.730 19.786 19.000 0.095 0.000 1.256 2098 A HN 0.137 nan 8.150 nan 0.000 0.598 2099 L N 1.429 122.683 121.223 0.051 0.000 2.462 2099 L HA 0.408 4.780 4.340 0.054 0.000 0.272 2099 L C -0.529 176.322 176.870 -0.031 0.000 1.166 2099 L CA 0.244 55.065 54.840 -0.031 0.000 0.880 2099 L CB 0.514 42.482 42.059 -0.152 0.000 1.142 2099 L HN 0.224 nan 8.230 nan 0.000 0.473 2100 D N 7.275 127.665 120.400 -0.017 0.000 2.412 2100 D HA 0.326 4.998 4.640 0.054 0.000 0.224 2100 D C -1.814 174.491 176.300 0.008 0.000 1.093 2100 D CA -2.249 51.757 54.000 0.010 0.000 0.850 2100 D CB 1.545 42.364 40.800 0.031 0.000 1.046 2100 D HN 0.347 nan 8.370 nan 0.000 0.507 2101 P HA -0.165 nan 4.420 nan 0.000 0.215 2101 P C 1.658 178.948 177.300 -0.017 0.000 1.153 2101 P CA 0.675 63.749 63.100 -0.043 0.000 0.853 2101 P CB 0.523 32.202 31.700 -0.035 0.000 0.788 2102 I N -1.722 118.858 120.570 0.016 0.000 2.286 2102 I HA -0.238 3.964 4.170 0.054 0.000 0.248 2102 I C 2.670 178.822 176.117 0.058 0.000 1.115 2102 I CA 1.402 62.719 61.300 0.029 0.000 1.392 2102 I CB -1.089 36.934 38.000 0.038 0.000 1.065 2102 I HN -0.136 nan 8.210 nan 0.000 0.418 2103 Y N 1.014 121.290 120.300 -0.040 0.000 2.263 2103 Y HA -0.143 4.440 4.550 0.054 0.000 0.292 2103 Y C 2.437 178.311 175.900 -0.044 0.000 1.130 2103 Y CA 1.118 59.199 58.100 -0.032 0.000 1.179 2103 Y CB -0.479 37.964 38.460 -0.029 0.000 0.998 2103 Y HN 0.124 nan 8.280 nan 0.000 0.532 2104 A N 0.754 123.532 122.820 -0.070 0.000 1.908 2104 A HA -0.226 4.127 4.320 0.054 0.000 0.218 2104 A C 2.429 179.909 177.584 -0.174 0.000 1.181 2104 A CA 1.818 53.756 52.037 -0.164 0.000 0.627 2104 A CB -0.772 18.132 19.000 -0.159 0.000 0.818 2104 A HN 0.473 nan 8.150 nan 0.000 0.445 2105 R N -0.126 120.301 120.500 -0.122 0.000 2.081 2105 R HA -0.130 4.243 4.340 0.054 0.000 0.235 2105 R C 2.078 178.303 176.300 -0.125 0.000 1.131 2105 R CA 1.855 57.894 56.100 -0.102 0.000 0.960 2105 R CB -0.306 29.957 30.300 -0.062 0.000 0.856 2105 R HN 0.543 nan 8.270 nan 0.000 0.436 2106 K N 0.269 120.576 120.400 -0.155 0.000 2.152 2106 K HA -0.092 4.260 4.320 0.054 0.000 0.206 2106 K C 1.866 178.332 176.600 -0.224 0.000 1.048 2106 K CA 1.165 57.350 56.287 -0.170 0.000 0.933 2106 K CB -0.064 32.331 32.500 -0.175 0.000 0.721 2106 K HN 0.233 nan 8.250 nan 0.000 0.447 2107 L N -0.464 120.566 121.223 -0.321 0.000 2.610 2107 L HA 0.064 4.436 4.340 0.054 0.000 0.232 2107 L C 1.000 177.771 176.870 -0.165 0.000 1.149 2107 L CA 0.471 55.153 54.840 -0.263 0.000 0.872 2107 L CB -0.133 41.736 42.059 -0.317 0.000 0.992 2107 L HN 0.463 nan 8.230 nan 0.000 0.447 2108 G N 0.078 108.794 108.800 -0.140 0.000 2.131 2108 G HA2 -0.225 3.767 3.960 0.054 0.000 0.223 2108 G HA3 -0.225 3.767 3.960 0.054 0.000 0.223 2108 G C 0.114 174.954 174.900 -0.099 0.000 0.990 2108 G CA -0.133 44.904 45.100 -0.106 0.000 0.671 2108 G HN 0.089 nan 8.290 nan 0.000 0.521 2109 V N 1.114 120.963 119.914 -0.107 0.000 2.530 2109 V HA 0.368 4.520 4.120 0.054 0.000 0.282 2109 V C 0.679 176.727 176.094 -0.076 0.000 1.048 2109 V CA -0.100 62.145 62.300 -0.092 0.000 0.997 2109 V CB 1.681 33.440 31.823 -0.106 0.000 0.987 2109 V HN 0.375 nan 8.190 nan 0.000 0.477 2110 D N 4.619 124.982 120.400 -0.062 0.000 2.416 2110 D HA 0.086 4.758 4.640 0.054 0.000 0.240 2110 D C 1.067 177.338 176.300 -0.047 0.000 1.250 2110 D CA -0.264 53.706 54.000 -0.050 0.000 0.967 2110 D CB 0.471 41.246 40.800 -0.042 0.000 1.059 2110 D HN 0.282 nan 8.370 nan 0.000 0.512 2111 I N 2.650 123.190 120.570 -0.050 0.000 2.226 2111 I HA -0.212 3.990 4.170 0.054 0.000 0.245 2111 I C 1.487 177.584 176.117 -0.035 0.000 1.100 2111 I CA 0.986 62.257 61.300 -0.050 0.000 1.374 2111 I CB -0.644 37.327 38.000 -0.048 0.000 1.057 2111 I HN 0.404 nan 8.210 nan 0.000 0.413 2112 D N 0.672 121.055 120.400 -0.028 0.000 2.310 2112 D HA -0.109 4.563 4.640 0.054 0.000 0.212 2112 D C 1.447 177.737 176.300 -0.016 0.000 0.965 2112 D CA 0.760 54.748 54.000 -0.020 0.000 0.879 2112 D CB -0.084 40.706 40.800 -0.018 0.000 0.921 2112 D HN 0.400 nan 8.370 nan 0.000 0.510 2113 N N -0.116 118.573 118.700 -0.019 0.000 2.181 2113 N HA 0.024 4.797 4.740 0.054 0.000 0.207 2113 N C 0.298 175.801 175.510 -0.011 0.000 1.182 2113 N CA -0.210 52.831 53.050 -0.014 0.000 0.893 2113 N CB 1.332 39.809 38.487 -0.017 0.000 1.032 2113 N HN 0.152 nan 8.380 nan 0.000 0.513 2114 L N 2.853 124.067 121.223 -0.015 0.000 2.407 2114 L HA 0.256 4.628 4.340 0.054 0.000 0.282 2114 L C -0.209 176.666 176.870 0.008 0.000 1.110 2114 L CA -0.038 54.799 54.840 -0.006 0.000 0.863 2114 L CB -0.074 41.971 42.059 -0.024 0.000 1.207 2114 L HN -0.008 nan 8.230 nan 0.000 0.454 2115 L N 5.360 126.594 121.223 0.019 0.000 2.490 2115 L HA 0.078 4.450 4.340 0.054 0.000 0.274 2115 L C 0.091 176.993 176.870 0.052 0.000 1.201 2115 L CA 0.302 55.158 54.840 0.026 0.000 0.869 2115 L CB 0.883 42.953 42.059 0.018 0.000 1.123 2115 L HN 0.706 nan 8.230 nan 0.000 0.484 2116 C N 3.103 122.431 119.300 0.047 0.000 2.701 2116 C HA 0.645 5.138 4.460 0.054 0.000 0.336 2116 C C -0.338 174.679 174.990 0.045 0.000 1.123 2116 C CA -0.443 58.620 59.018 0.074 0.000 1.326 2116 C CB 1.507 29.280 27.740 0.054 0.000 1.833 2116 C HN 0.813 nan 8.230 nan 0.000 0.473 2117 S N 3.799 119.524 115.700 0.040 0.000 2.536 2117 S HA 0.615 5.117 4.470 0.054 0.000 0.287 2117 S C -1.262 173.314 174.600 -0.040 0.000 1.101 2117 S CA -0.283 57.915 58.200 -0.004 0.000 0.950 2117 S CB 1.533 64.715 63.200 -0.031 0.000 1.056 2117 S HN 0.848 nan 8.310 nan 0.000 0.481 2118 Q N 4.108 123.874 119.800 -0.057 0.000 2.571 2118 Q HA 0.340 4.712 4.340 0.054 0.000 0.243 2118 Q C -2.422 173.549 176.000 -0.048 0.000 1.055 2118 Q CA -1.887 53.820 55.803 -0.160 0.000 0.815 2118 Q CB 1.565 30.210 28.738 -0.154 0.000 1.151 2118 Q HN 0.530 nan 8.270 nan 0.000 0.519 2119 P HA 0.067 nan 4.420 nan 0.000 0.274 2119 P C -0.288 177.057 177.300 0.076 0.000 1.237 2119 P CA -0.159 62.918 63.100 -0.038 0.000 0.793 2119 P CB 1.504 33.134 31.700 -0.116 0.000 0.977 2120 D N -0.261 120.160 120.400 0.036 0.000 2.146 2120 D HA -0.026 4.647 4.640 0.054 0.000 0.209 2120 D C 0.989 177.312 176.300 0.037 0.000 0.973 2120 D CA 1.601 55.639 54.000 0.062 0.000 0.860 2120 D CB -0.411 40.419 40.800 0.050 0.000 1.015 2120 D HN 0.514 nan 8.370 nan 0.000 0.465 2121 T N -2.816 111.733 114.554 -0.008 0.000 2.952 2121 T HA 0.531 4.913 4.350 0.054 0.000 0.286 2121 T C 1.384 176.059 174.700 -0.042 0.000 1.024 2121 T CA -0.367 61.722 62.100 -0.018 0.000 1.029 2121 T CB 1.914 70.772 68.868 -0.017 0.000 1.094 2121 T HN -0.004 nan 8.240 nan 0.000 0.515 2122 G N 0.263 109.046 108.800 -0.029 0.000 2.408 2122 G HA2 -0.106 3.886 3.960 0.054 0.000 0.217 2122 G HA3 -0.106 3.886 3.960 0.054 0.000 0.217 2122 G C 1.160 176.030 174.900 -0.051 0.000 1.150 2122 G CA 0.565 45.647 45.100 -0.030 0.000 0.776 2122 G HN 0.792 nan 8.290 nan 0.000 0.542 2123 E N -0.006 120.166 120.200 -0.048 0.000 2.077 2123 E HA -0.131 4.251 4.350 0.054 0.000 0.193 2123 E C 2.421 178.963 176.600 -0.097 0.000 0.989 2123 E CA 1.234 57.611 56.400 -0.038 0.000 0.800 2123 E CB -0.245 29.454 29.700 -0.002 0.000 0.746 2123 E HN 0.608 nan 8.360 nan 0.000 0.452 2124 Q N 0.151 119.831 119.800 -0.200 0.000 2.061 2124 Q HA -0.232 4.141 4.340 0.054 0.000 0.204 2124 Q C 2.157 177.861 176.000 -0.493 0.000 0.984 2124 Q CA 1.719 57.164 55.803 -0.597 0.000 0.846 2124 Q CB -0.228 28.129 28.738 -0.635 0.000 0.902 2124 Q HN 0.309 nan 8.270 nan 0.000 0.421 2125 A N 0.681 123.342 122.820 -0.266 0.000 1.917 2125 A HA -0.200 4.153 4.320 0.054 0.000 0.219 2125 A C 2.028 179.536 177.584 -0.128 0.000 1.182 2125 A CA 1.656 53.587 52.037 -0.177 0.000 0.633 2125 A CB -0.729 18.213 19.000 -0.097 0.000 0.819 2125 A HN 0.465 nan 8.150 nan 0.000 0.448 2126 L N -1.230 119.945 121.223 -0.080 0.000 2.179 2126 L HA -0.047 4.326 4.340 0.054 0.000 0.208 2126 L C 2.506 179.363 176.870 -0.023 0.000 1.096 2126 L CA 0.736 55.563 54.840 -0.021 0.000 0.779 2126 L CB -0.413 41.654 42.059 0.013 0.000 0.922 2126 L HN 0.256 nan 8.230 nan 0.000 0.443 2127 E N 0.538 120.716 120.200 -0.037 0.000 2.150 2127 E HA -0.153 4.229 4.350 0.054 0.000 0.193 2127 E C 2.277 178.909 176.600 0.053 0.000 0.985 2127 E CA 1.153 57.583 56.400 0.051 0.000 0.814 2127 E CB -0.033 29.785 29.700 0.197 0.000 0.752 2127 E HN 0.506 nan 8.360 nan 0.000 0.466 2128 I N 0.093 120.628 120.570 -0.058 0.000 2.252 2128 I HA -0.313 3.889 4.170 0.054 0.000 0.245 2128 I C 2.507 178.611 176.117 -0.022 0.000 1.102 2128 I CA 0.650 61.932 61.300 -0.029 0.000 1.385 2128 I CB -0.227 37.706 38.000 -0.111 0.000 1.064 2128 I HN 0.124 nan 8.210 nan 0.000 0.414 2129 C N 0.404 119.674 119.300 -0.051 0.000 2.413 2129 C HA -0.227 4.265 4.460 0.054 0.000 0.276 2129 C C 2.580 177.554 174.990 -0.027 0.000 1.236 2129 C CA 1.355 60.339 59.018 -0.057 0.000 1.735 2129 C CB -0.988 26.709 27.740 -0.072 0.000 2.031 2129 C HN 0.542 nan 8.230 nan 0.000 0.474 2130 D N 0.365 120.763 120.400 -0.003 0.000 2.117 2130 D HA -0.073 4.599 4.640 0.054 0.000 0.197 2130 D C 2.186 178.495 176.300 0.014 0.000 0.987 2130 D CA 1.576 55.580 54.000 0.007 0.000 0.829 2130 D CB -0.205 40.609 40.800 0.023 0.000 0.961 2130 D HN 0.408 nan 8.370 nan 0.000 0.460 2131 A N 0.116 122.955 122.820 0.033 0.000 1.877 2131 A HA -0.124 4.228 4.320 0.054 0.000 0.216 2131 A C 2.424 180.019 177.584 0.019 0.000 1.186 2131 A CA 1.215 53.276 52.037 0.039 0.000 0.620 2131 A CB -0.864 18.179 19.000 0.072 0.000 0.822 2131 A HN 0.344 nan 8.150 nan 0.000 0.443 2132 L N -0.881 120.347 121.223 0.007 0.000 2.056 2132 L HA -0.167 4.206 4.340 0.054 0.000 0.207 2132 L C 3.116 179.978 176.870 -0.013 0.000 1.078 2132 L CA 0.931 55.768 54.840 -0.006 0.000 0.749 2132 L CB -0.689 41.358 42.059 -0.019 0.000 0.901 2132 L HN 0.446 nan 8.230 nan 0.000 0.433 2133 A N 0.365 123.173 122.820 -0.019 0.000 1.851 2133 A HA -0.247 4.105 4.320 0.054 0.000 0.216 2133 A C 2.410 179.986 177.584 -0.013 0.000 1.195 2133 A CA 1.786 53.810 52.037 -0.022 0.000 0.622 2133 A CB -0.623 18.360 19.000 -0.027 0.000 0.831 2133 A HN 0.294 nan 8.150 nan 0.000 0.444 2134 R N 0.000 120.497 120.500 -0.006 0.000 2.105 2134 R HA -0.145 4.228 4.340 0.054 0.000 0.239 2134 R C 2.618 178.919 176.300 0.002 0.000 1.135 2134 R CA 1.663 57.763 56.100 -0.001 0.000 0.967 2134 R CB -0.429 29.875 30.300 0.006 0.000 0.861 2134 R HN 0.773 nan 8.270 nan 0.000 0.442 2135 S N -0.666 115.035 115.700 0.003 0.000 2.399 2135 S HA -0.088 4.414 4.470 0.054 0.000 0.231 2135 S C 1.651 176.252 174.600 0.001 0.000 1.022 2135 S CA 1.144 59.346 58.200 0.004 0.000 0.983 2135 S CB -0.261 62.941 63.200 0.005 0.000 0.803 2135 S HN 0.546 nan 8.310 nan 0.000 0.480 2136 G N 0.532 109.331 108.800 -0.002 0.000 2.155 2136 G HA2 -0.194 3.799 3.960 0.054 0.000 0.257 2136 G HA3 -0.194 3.799 3.960 0.054 0.000 0.257 2136 G C 0.735 175.632 174.900 -0.004 0.000 0.983 2136 G CA 0.364 45.462 45.100 -0.003 0.000 0.676 2136 G HN 1.416 nan 8.290 nan 0.000 0.528 2137 A N -1.213 121.605 122.820 -0.004 0.000 2.197 2137 A HA 0.681 5.033 4.320 0.054 0.000 0.210 2137 A C 0.998 178.577 177.584 -0.008 0.000 1.180 2137 A CA 1.221 53.256 52.037 -0.005 0.000 0.846 2137 A CB 0.615 19.614 19.000 -0.002 0.000 0.884 2137 A HN 0.972 nan 8.150 nan 0.000 0.487 2138 V N 0.992 120.899 119.914 -0.012 0.000 2.472 2138 V HA 0.232 4.385 4.120 0.054 0.000 0.290 2138 V C 0.142 176.223 176.094 -0.021 0.000 1.037 2138 V CA -0.502 61.788 62.300 -0.017 0.000 0.908 2138 V CB 1.625 33.435 31.823 -0.021 0.000 0.985 2138 V HN 0.392 nan 8.190 nan 0.000 0.454 2139 D N 1.770 122.157 120.400 -0.022 0.000 2.338 2139 D HA 0.076 4.748 4.640 0.054 0.000 0.224 2139 D C 0.356 176.637 176.300 -0.032 0.000 0.967 2139 D CA 1.170 55.156 54.000 -0.024 0.000 0.896 2139 D CB 1.466 42.253 40.800 -0.021 0.000 1.028 2139 D HN 0.403 nan 8.370 nan 0.000 0.493 2140 V N 1.089 120.982 119.914 -0.035 0.000 2.577 2140 V HA 0.477 4.630 4.120 0.054 0.000 0.303 2140 V C -1.428 174.630 176.094 -0.060 0.000 1.042 2140 V CA -0.720 61.551 62.300 -0.048 0.000 0.872 2140 V CB 1.860 33.659 31.823 -0.040 0.000 0.998 2140 V HN -0.094 nan 8.190 nan 0.000 0.423 2141 I N 6.865 127.374 120.570 -0.102 0.000 2.433 2141 I HA 0.645 4.848 4.170 0.054 0.000 0.292 2141 I C -0.404 175.577 176.117 -0.227 0.000 1.001 2141 I CA -1.035 60.177 61.300 -0.147 0.000 1.119 2141 I CB 1.966 39.863 38.000 -0.171 0.000 1.289 2141 I HN 0.629 nan 8.210 nan 0.000 0.438 2142 V N 6.958 126.712 119.914 -0.266 0.000 2.495 2142 V HA 0.585 4.738 4.120 0.054 0.000 0.298 2142 V C -0.786 174.956 176.094 -0.586 0.000 1.031 2142 V CA -0.373 61.690 62.300 -0.394 0.000 0.871 2142 V CB 2.040 33.698 31.823 -0.275 0.000 0.988 2142 V HN 0.443 nan 8.190 nan 0.000 0.432 2143 V N 5.644 125.227 119.914 -0.551 0.000 2.328 2143 V HA 0.398 4.550 4.120 0.054 0.000 0.278 2143 V C -0.148 175.746 176.094 -0.333 0.000 1.021 2143 V CA -0.345 61.687 62.300 -0.448 0.000 0.838 2143 V CB 1.194 32.808 31.823 -0.349 0.000 0.999 2143 V HN 0.977 nan 8.190 nan 0.000 0.447 2144 D N 3.648 123.801 120.400 -0.412 0.000 2.365 2144 D HA 0.305 4.978 4.640 0.054 0.000 0.237 2144 D C 0.028 176.284 176.300 -0.074 0.000 1.190 2144 D CA 0.647 54.525 54.000 -0.204 0.000 0.867 2144 D CB 0.688 41.424 40.800 -0.107 0.000 1.050 2144 D HN 0.641 nan 8.370 nan 0.000 0.491 2145 S N 1.319 117.003 115.700 -0.028 0.000 3.392 2145 S HA -0.150 4.352 4.470 0.054 0.000 0.693 2145 S C 1.175 175.783 174.600 0.014 0.000 0.620 2145 S CA 0.337 58.521 58.200 -0.026 0.000 1.452 2145 S CB -1.027 62.119 63.200 -0.089 0.000 0.988 2145 S HN 0.531 nan 8.310 nan 0.000 0.932 2146 V N 2.432 122.369 119.914 0.038 0.000 2.515 2146 V HA -0.015 4.137 4.120 0.054 0.000 0.250 2146 V C 2.338 178.426 176.094 -0.011 0.000 1.058 2146 V CA 2.342 64.654 62.300 0.021 0.000 1.064 2146 V CB -1.096 30.692 31.823 -0.058 0.000 0.675 2146 V HN 1.460 nan 8.190 nan 0.000 0.461 2147 A N 0.745 123.542 122.820 -0.038 0.000 1.958 2147 A HA -0.061 4.291 4.320 0.054 0.000 0.221 2147 A C 2.361 179.993 177.584 0.080 0.000 1.178 2147 A CA 2.540 54.562 52.037 -0.025 0.000 0.642 2147 A CB -0.995 17.936 19.000 -0.116 0.000 0.816 2147 A HN 1.241 nan 8.150 nan 0.000 0.453 2148 A N -1.677 121.195 122.820 0.086 0.000 2.275 2148 A HA 0.445 4.798 4.320 0.054 0.000 0.212 2148 A C 0.547 178.202 177.584 0.119 0.000 1.201 2148 A CA -0.128 52.019 52.037 0.183 0.000 0.843 2148 A CB -0.138 18.974 19.000 0.187 0.000 0.873 2148 A HN 0.285 nan 8.150 nan 0.000 0.492 2149 L N 2.546 123.806 121.223 0.063 0.000 2.451 2149 L HA 0.131 4.503 4.340 0.054 0.000 0.272 2149 L C 0.052 176.934 176.870 0.020 0.000 1.258 2149 L CA 0.700 55.561 54.840 0.035 0.000 1.132 2149 L CB -1.015 41.055 42.059 0.018 0.000 1.361 2149 L HN 0.104 nan 8.230 nan 0.000 0.438 2150 T N 4.526 119.097 114.554 0.028 0.000 2.737 2150 T HA 0.247 4.630 4.350 0.054 0.000 0.296 2150 T C -2.184 172.499 174.700 -0.029 0.000 0.922 2150 T CA -1.188 60.913 62.100 0.003 0.000 1.079 2150 T CB 0.555 69.430 68.868 0.011 0.000 0.892 2150 T HN 0.209 nan 8.240 nan 0.000 0.514 2151 P HA 0.054 nan 4.420 nan 0.000 0.266 2151 P C 0.909 178.149 177.300 -0.100 0.000 1.193 2151 P CA -0.256 62.793 63.100 -0.084 0.000 0.770 2151 P CB 0.722 32.348 31.700 -0.123 0.000 0.836 2152 K N 2.881 123.235 120.400 -0.077 0.000 2.063 2152 K HA -0.204 4.149 4.320 0.054 0.000 0.208 2152 K C 1.809 178.355 176.600 -0.091 0.000 1.048 2152 K CA 1.818 58.070 56.287 -0.057 0.000 0.928 2152 K CB -0.599 31.886 32.500 -0.025 0.000 0.713 2152 K HN 0.466 nan 8.250 nan 0.000 0.442 2153 A N 0.852 123.584 122.820 -0.146 0.000 1.972 2153 A HA -0.209 4.143 4.320 0.054 0.000 0.219 2153 A C 1.967 179.350 177.584 -0.334 0.000 1.169 2153 A CA 1.793 53.715 52.037 -0.191 0.000 0.635 2153 A CB -0.474 18.409 19.000 -0.195 0.000 0.810 2153 A HN 0.565 nan 8.150 nan 0.000 0.446 2154 E N -0.324 119.581 120.200 -0.492 0.000 2.072 2154 E HA -0.116 4.266 4.350 0.054 0.000 0.190 2154 E C 1.813 178.371 176.600 -0.069 0.000 0.982 2154 E CA 1.008 57.169 56.400 -0.397 0.000 0.803 2154 E CB -0.193 29.341 29.700 -0.276 0.000 0.755 2154 E HN 0.638 nan 8.360 nan 0.000 0.453 2155 I N 0.921 121.452 120.570 -0.066 0.000 2.226 2155 I HA -0.254 3.948 4.170 0.054 0.000 0.245 2155 I C 2.108 178.227 176.117 0.002 0.000 1.100 2155 I CA 1.397 62.687 61.300 -0.017 0.000 1.374 2155 I CB -0.070 37.921 38.000 -0.016 0.000 1.057 2155 I HN 0.160 nan 8.210 nan 0.000 0.413 2156 E N 0.318 120.514 120.200 -0.005 0.000 2.216 2156 E HA -0.002 4.380 4.350 0.054 0.000 0.192 2156 E C 1.295 177.918 176.600 0.038 0.000 0.988 2156 E CA 0.408 56.817 56.400 0.014 0.000 0.834 2156 E CB -0.105 29.599 29.700 0.007 0.000 0.772 2156 E HN 0.501 nan 8.360 nan 0.000 0.479 2157 G N 0.763 109.601 108.800 0.065 0.000 2.653 2157 G HA2 0.056 4.048 3.960 0.054 0.000 0.265 2157 G HA3 0.056 4.048 3.960 0.054 0.000 0.265 2157 G C -0.198 174.768 174.900 0.110 0.000 1.237 2157 G CA -0.512 44.666 45.100 0.129 0.000 0.946 2157 G HN 0.004 nan 8.290 nan 0.000 0.522 2158 E N -1.267 118.994 120.200 0.101 0.000 2.280 2158 E HA 0.254 4.637 4.350 0.054 0.000 0.261 2158 E C -0.126 176.521 176.600 0.078 0.000 1.088 2158 E CA -0.498 55.953 56.400 0.085 0.000 0.915 2158 E CB 1.724 31.470 29.700 0.078 0.000 1.141 2158 E HN 0.232 nan 8.360 nan 0.000 0.433 2159 I N 1.275 121.884 120.570 0.066 0.000 2.452 2159 I HA 0.088 4.290 4.170 0.054 0.000 0.287 2159 I C 1.141 177.270 176.117 0.021 0.000 1.079 2159 I CA 0.984 62.307 61.300 0.039 0.000 1.387 2159 I CB 0.371 38.386 38.000 0.025 0.000 1.404 2159 I HN 0.879 nan 8.210 nan 0.000 0.522 2160 G N 4.036 112.834 108.800 -0.004 0.000 2.253 2160 G HA2 -0.196 3.796 3.960 0.054 0.000 0.209 2160 G HA3 -0.196 3.796 3.960 0.054 0.000 0.209 2160 G C -0.016 174.845 174.900 -0.065 0.000 0.997 2160 G CA -0.657 44.426 45.100 -0.028 0.000 0.640 2160 G HN 0.526 nan 8.290 nan 0.000 0.496 2161 D N 1.087 121.436 120.400 -0.085 0.000 2.443 2161 D HA 0.457 5.130 4.640 0.054 0.000 0.239 2161 D C 0.358 176.412 176.300 -0.410 0.000 1.136 2161 D CA 0.733 54.603 54.000 -0.218 0.000 0.879 2161 D CB 1.519 42.201 40.800 -0.197 0.000 1.195 2161 D HN 0.153 nan 8.370 nan 0.000 0.443 2162 S N 1.738 117.193 115.700 -0.409 0.000 2.438 2162 S HA 0.182 4.684 4.470 0.054 0.000 0.293 2162 S C -0.592 173.730 174.600 -0.464 0.000 1.141 2162 S CA -0.657 57.345 58.200 -0.331 0.000 1.080 2162 S CB 0.112 63.219 63.200 -0.155 0.000 0.978 2162 S HN 0.314 nan 8.310 nan 0.000 0.479 2163 H N 5.138 124.203 119.070 -0.007 0.000 2.317 2163 H HA 0.236 4.825 4.556 0.054 0.000 0.231 2163 H C -0.320 175.001 175.328 -0.011 0.000 1.442 2163 H CA -0.335 55.708 56.048 -0.008 0.000 1.336 2163 H CB -0.071 29.686 29.762 -0.008 0.000 1.533 2163 H HN 0.558 nan 8.280 nan 0.000 0.522 2164 M N 0.437 120.069 119.600 0.053 0.000 2.336 2164 M HA -0.024 4.489 4.480 0.054 0.000 0.371 2164 M C 1.286 177.604 176.300 0.030 0.000 1.542 2164 M CA 1.180 56.495 55.300 0.026 0.000 0.959 2164 M CB 0.368 32.971 32.600 0.004 0.000 2.033 2164 M HN 0.835 nan 8.290 nan 0.000 0.472 2165 G N 3.034 111.846 108.800 0.020 0.000 2.212 2165 G HA2 -0.289 3.703 3.960 0.054 0.000 0.267 2165 G HA3 -0.289 3.703 3.960 0.054 0.000 0.267 2165 G C 0.707 175.612 174.900 0.009 0.000 1.002 2165 G CA 0.585 45.690 45.100 0.009 0.000 0.729 2165 G HN 0.772 nan 8.290 nan 0.000 0.517 2166 L N -0.546 120.692 121.223 0.025 0.000 2.005 2166 L HA 0.094 4.467 4.340 0.054 0.000 0.207 2166 L C 3.151 180.012 176.870 -0.015 0.000 1.072 2166 L CA 2.182 57.027 54.840 0.007 0.000 0.744 2166 L CB -0.558 41.508 42.059 0.010 0.000 0.895 2166 L HN 0.416 nan 8.230 nan 0.000 0.433 2167 A N -0.433 122.378 122.820 -0.014 0.000 1.933 2167 A HA -0.164 4.189 4.320 0.054 0.000 0.218 2167 A C 2.383 179.945 177.584 -0.037 0.000 1.175 2167 A CA 1.600 53.620 52.037 -0.029 0.000 0.628 2167 A CB -0.683 18.303 19.000 -0.023 0.000 0.814 2167 A HN 0.546 nan 8.150 nan 0.000 0.444 2168 A N -0.360 122.444 122.820 -0.027 0.000 1.873 2168 A HA -0.141 4.212 4.320 0.054 0.000 0.215 2168 A C 2.249 179.816 177.584 -0.029 0.000 1.186 2168 A CA 1.693 53.713 52.037 -0.029 0.000 0.616 2168 A CB -0.457 18.534 19.000 -0.015 0.000 0.823 2168 A HN 0.517 nan 8.150 nan 0.000 0.442 2169 R N -1.016 119.472 120.500 -0.021 0.000 2.092 2169 R HA -0.058 4.315 4.340 0.054 0.000 0.231 2169 R C 2.260 178.543 176.300 -0.028 0.000 1.119 2169 R CA 1.533 57.622 56.100 -0.019 0.000 0.970 2169 R CB -0.277 30.015 30.300 -0.013 0.000 0.864 2169 R HN 0.656 nan 8.270 nan 0.000 0.440 2170 M N -0.419 119.160 119.600 -0.035 0.000 2.099 2170 M HA -0.177 4.335 4.480 0.054 0.000 0.262 2170 M C 1.712 177.976 176.300 -0.059 0.000 1.067 2170 M CA 1.484 56.760 55.300 -0.040 0.000 1.124 2170 M CB 0.054 32.630 32.600 -0.041 0.000 1.353 2170 M HN 0.187 nan 8.290 nan 0.000 0.410 2171 M N -0.406 119.147 119.600 -0.078 0.000 2.117 2171 M HA -0.169 4.344 4.480 0.054 0.000 0.262 2171 M C 2.437 178.656 176.300 -0.134 0.000 1.065 2171 M CA 1.540 56.763 55.300 -0.128 0.000 1.114 2171 M CB -1.375 31.138 32.600 -0.145 0.000 1.361 2171 M HN 0.387 nan 8.290 nan 0.000 0.408 2172 S N -0.138 115.512 115.700 -0.084 0.000 2.368 2172 S HA -0.209 4.293 4.470 0.054 0.000 0.225 2172 S C 1.892 176.439 174.600 -0.088 0.000 1.030 2172 S CA 1.562 59.723 58.200 -0.066 0.000 0.999 2172 S CB -0.137 63.053 63.200 -0.017 0.000 0.844 2172 S HN 0.544 nan 8.310 nan 0.000 0.459 2173 Q N 0.165 119.929 119.800 -0.060 0.000 2.084 2173 Q HA -0.071 4.301 4.340 0.054 0.000 0.202 2173 Q C 2.215 178.170 176.000 -0.074 0.000 0.978 2173 Q CA 1.398 57.176 55.803 -0.040 0.000 0.844 2173 Q CB -0.439 28.296 28.738 -0.005 0.000 0.898 2173 Q HN 0.620 nan 8.270 nan 0.000 0.426 2174 A N 0.907 123.673 122.820 -0.090 0.000 1.883 2174 A HA -0.238 4.114 4.320 0.054 0.000 0.217 2174 A C 2.064 179.551 177.584 -0.161 0.000 1.186 2174 A CA 1.871 53.855 52.037 -0.087 0.000 0.624 2174 A CB -0.591 18.371 19.000 -0.064 0.000 0.822 2174 A HN 0.427 nan 8.150 nan 0.000 0.444 2175 M N -0.705 118.704 119.600 -0.318 0.000 2.080 2175 M HA -0.153 4.359 4.480 0.054 0.000 0.260 2175 M C 2.177 178.129 176.300 -0.579 0.000 1.068 2175 M CA 1.659 56.574 55.300 -0.641 0.000 1.109 2175 M CB -1.421 30.392 32.600 -1.312 0.000 1.342 2175 M HN 0.419 nan 8.290 nan 0.000 0.405 2176 R N 0.299 120.573 120.500 -0.377 0.000 2.094 2176 R HA -0.172 4.201 4.340 0.054 0.000 0.239 2176 R C 2.323 178.591 176.300 -0.053 0.000 1.137 2176 R CA 1.652 57.693 56.100 -0.099 0.000 0.943 2176 R CB -0.252 30.036 30.300 -0.019 0.000 0.850 2176 R HN 0.448 nan 8.270 nan 0.000 0.433 2177 K N 0.230 120.591 120.400 -0.064 0.000 2.062 2177 K HA -0.078 4.274 4.320 0.054 0.000 0.205 2177 K C 2.180 178.753 176.600 -0.046 0.000 1.051 2177 K CA 1.032 57.297 56.287 -0.036 0.000 0.941 2177 K CB -0.056 32.434 32.500 -0.016 0.000 0.719 2177 K HN 0.162 nan 8.250 nan 0.000 0.440 2178 L N 0.586 121.773 121.223 -0.060 0.000 2.044 2178 L HA -0.100 4.273 4.340 0.054 0.000 0.205 2178 L C 2.642 179.481 176.870 -0.051 0.000 1.075 2178 L CA 0.880 55.696 54.840 -0.041 0.000 0.747 2178 L CB -0.668 41.387 42.059 -0.006 0.000 0.903 2178 L HN 0.150 nan 8.230 nan 0.000 0.435 2179 A N 0.714 123.509 122.820 -0.042 0.000 1.896 2179 A HA -0.274 4.078 4.320 0.054 0.000 0.220 2179 A C 2.362 179.833 177.584 -0.188 0.000 1.206 2179 A CA 2.399 54.438 52.037 0.004 0.000 0.647 2179 A CB -1.547 17.565 19.000 0.187 0.000 0.828 2179 A HN 0.478 nan 8.150 nan 0.000 0.455 2180 G N -0.908 107.703 108.800 -0.315 0.000 2.404 2180 G HA2 -0.263 3.729 3.960 0.054 0.000 0.215 2180 G HA3 -0.263 3.729 3.960 0.054 0.000 0.215 2180 G C 1.443 176.168 174.900 -0.291 0.000 1.174 2180 G CA 1.033 45.775 45.100 -0.597 0.000 0.780 2180 G HN 0.728 nan 8.290 nan 0.000 0.537 2181 N N -0.035 118.578 118.700 -0.144 0.000 2.166 2181 N HA -0.015 4.757 4.740 0.054 0.000 0.186 2181 N C 2.198 177.671 175.510 -0.062 0.000 1.019 2181 N CA 0.461 53.466 53.050 -0.075 0.000 0.856 2181 N CB -0.125 38.336 38.487 -0.044 0.000 0.993 2181 N HN 0.238 nan 8.380 nan 0.000 0.426 2182 L N 0.723 121.907 121.223 -0.065 0.000 2.072 2182 L HA -0.121 4.251 4.340 0.054 0.000 0.205 2182 L C 2.424 179.278 176.870 -0.027 0.000 1.079 2182 L CA 0.889 55.707 54.840 -0.038 0.000 0.752 2182 L CB -0.210 41.836 42.059 -0.021 0.000 0.906 2182 L HN 0.068 nan 8.230 nan 0.000 0.436 2183 K N 0.577 120.950 120.400 -0.044 0.000 2.025 2183 K HA -0.196 4.156 4.320 0.054 0.000 0.207 2183 K C 2.060 178.672 176.600 0.019 0.000 1.049 2183 K CA 1.618 57.910 56.287 0.009 0.000 0.933 2183 K CB -0.236 32.300 32.500 0.060 0.000 0.714 2183 K HN 0.177 nan 8.250 nan 0.000 0.438 2184 Q N -0.547 119.251 119.800 -0.004 0.000 2.364 2184 Q HA 0.033 4.406 4.340 0.054 0.000 0.207 2184 Q C 1.113 177.119 176.000 0.010 0.000 0.970 2184 Q CA 1.380 57.194 55.803 0.017 0.000 0.888 2184 Q CB 0.228 28.974 28.738 0.015 0.000 0.951 2184 Q HN 0.231 nan 8.270 nan 0.000 0.469 2185 S N -0.007 115.692 115.700 -0.002 0.000 2.524 2185 S HA 0.053 4.555 4.470 0.054 0.000 0.215 2185 S C 0.240 174.839 174.600 -0.002 0.000 0.986 2185 S CA -0.068 58.130 58.200 -0.002 0.000 0.911 2185 S CB 0.283 63.477 63.200 -0.010 0.000 0.805 2185 S HN 0.455 nan 8.310 nan 0.000 0.501 2186 N N 2.005 120.707 118.700 0.003 0.000 2.735 2186 N HA -0.141 4.632 4.740 0.054 0.000 0.248 2186 N C -1.159 174.347 175.510 -0.006 0.000 1.083 2186 N CA 0.886 53.938 53.050 0.003 0.000 0.703 2186 N CB -1.511 36.980 38.487 0.005 0.000 1.005 2186 N HN 0.254 nan 8.380 nan 0.000 0.550 2187 T N 0.786 115.332 114.554 -0.012 0.000 2.767 2187 T HA 0.438 4.820 4.350 0.054 0.000 0.288 2187 T C 0.243 174.926 174.700 -0.027 0.000 0.963 2187 T CA -0.664 61.422 62.100 -0.024 0.000 1.019 2187 T CB 1.434 70.283 68.868 -0.031 0.000 0.923 2187 T HN 0.296 nan 8.240 nan 0.000 0.468 2188 L N 4.594 125.796 121.223 -0.034 0.000 2.331 2188 L HA 0.560 4.932 4.340 0.054 0.000 0.278 2188 L C -0.826 175.999 176.870 -0.075 0.000 1.106 2188 L CA -0.267 54.549 54.840 -0.039 0.000 0.824 2188 L CB 0.396 42.434 42.059 -0.035 0.000 1.142 2188 L HN 0.630 nan 8.230 nan 0.000 0.443 2189 L N 6.825 127.995 121.223 -0.088 0.000 2.343 2189 L HA 0.536 4.908 4.340 0.054 0.000 0.278 2189 L C -1.023 175.719 176.870 -0.213 0.000 0.996 2189 L CA -0.472 54.253 54.840 -0.192 0.000 0.831 2189 L CB 1.193 43.124 42.059 -0.212 0.000 1.232 2189 L HN 0.672 nan 8.230 nan 0.000 0.413 2190 I N 4.583 124.993 120.570 -0.267 0.000 2.321 2190 I HA 0.272 4.474 4.170 0.054 0.000 0.291 2190 I C -0.810 175.117 176.117 -0.318 0.000 0.998 2190 I CA -0.292 60.896 61.300 -0.187 0.000 1.227 2190 I CB 1.229 39.167 38.000 -0.103 0.000 1.368 2190 I HN 0.396 nan 8.210 nan 0.000 0.466 2191 F N 6.631 126.556 119.950 -0.042 0.000 2.405 2191 F HA 0.460 5.019 4.527 0.054 0.000 0.355 2191 F C 0.402 176.186 175.800 -0.027 0.000 1.121 2191 F CA -0.424 57.547 58.000 -0.048 0.000 1.112 2191 F CB 0.948 39.932 39.000 -0.027 0.000 1.126 2191 F HN 0.216 nan 8.300 nan 0.000 0.481 2192 I N 3.627 124.272 120.570 0.124 0.000 2.395 2192 I HA 0.202 4.404 4.170 0.054 0.000 0.289 2192 I C -0.150 176.026 176.117 0.099 0.000 1.023 2192 I CA -0.089 61.269 61.300 0.097 0.000 1.350 2192 I CB 1.005 39.034 38.000 0.048 0.000 1.409 2192 I HN 0.636 nan 8.210 nan 0.000 0.507 2193 N N 4.321 123.084 118.700 0.104 0.000 2.292 2193 N HA 0.391 5.164 4.740 0.054 0.000 0.303 2193 N C -1.181 174.319 175.510 -0.017 0.000 1.140 2193 N CA -0.691 52.380 53.050 0.035 0.000 0.788 2193 N CB 1.690 40.205 38.487 0.048 0.000 1.361 2193 N HN 0.540 nan 8.380 nan 0.000 0.489 2194 Q N 0.849 120.524 119.800 -0.209 0.000 2.180 2194 Q HA 0.498 4.870 4.340 0.054 0.000 0.241 2194 Q C -0.663 175.138 176.000 -0.332 0.000 0.970 2194 Q CA -0.648 54.852 55.803 -0.504 0.000 0.919 2194 Q CB 2.023 30.079 28.738 -1.136 0.000 1.222 2194 Q HN 0.477 nan 8.270 nan 0.000 0.482 2195 I N 1.443 121.852 120.570 -0.268 0.000 2.359 2195 I HA 0.362 4.564 4.170 0.054 0.000 0.294 2195 I C -0.032 176.056 176.117 -0.047 0.000 0.987 2195 I CA -0.674 60.594 61.300 -0.055 0.000 1.225 2195 I CB 0.810 38.900 38.000 0.150 0.000 1.366 2195 I HN 0.327 nan 8.210 nan 0.000 0.466 2196 R N 4.541 125.006 120.500 -0.059 0.000 2.873 2196 R HA 0.621 4.993 4.340 0.054 0.000 0.264 2196 R C -0.942 175.352 176.300 -0.010 0.000 1.026 2196 R CA -1.346 54.744 56.100 -0.017 0.000 1.002 2196 R CB 1.567 31.841 30.300 -0.044 0.000 1.174 2196 R HN 0.396 nan 8.270 nan 0.000 0.488 2197 M N 2.016 121.617 119.600 0.002 0.000 2.209 2197 M HA 0.234 4.747 4.480 0.054 0.000 0.355 2197 M C -0.109 176.174 176.300 -0.028 0.000 1.171 2197 M CA -0.309 54.985 55.300 -0.011 0.000 1.069 2197 M CB 0.875 33.475 32.600 0.000 0.000 1.622 2197 M HN 0.288 nan 8.290 nan 0.000 0.459 2198 K N 4.762 125.136 120.400 -0.044 0.000 2.144 2198 K HA 0.568 4.920 4.320 0.054 0.000 0.270 2198 K C -0.894 175.670 176.600 -0.059 0.000 1.005 2198 K CA -0.549 55.709 56.287 -0.049 0.000 0.932 2198 K CB 1.477 33.946 32.500 -0.053 0.000 1.021 2198 K HN 0.850 nan 8.250 nan 0.000 0.462 2199 I N -0.184 120.356 120.570 -0.050 0.000 2.465 2199 I HA 0.426 4.628 4.170 0.054 0.000 0.291 2199 I C -0.180 175.904 176.117 -0.054 0.000 1.014 2199 I CA 0.141 61.410 61.300 -0.051 0.000 1.093 2199 I CB 1.530 39.510 38.000 -0.034 0.000 1.267 2199 I HN 1.021 nan 8.210 nan 0.000 0.431 2200 G N 5.133 113.892 108.800 -0.067 0.000 2.288 2200 G HA2 -0.113 3.879 3.960 0.054 0.000 0.205 2200 G HA3 -0.113 3.879 3.960 0.054 0.000 0.205 2200 G C -0.880 173.957 174.900 -0.106 0.000 1.071 2200 G CA 0.043 45.108 45.100 -0.059 0.000 0.788 2200 G HN 1.003 nan 8.290 nan 0.000 0.491 2201 V N 2.032 121.824 119.914 -0.203 0.000 2.524 2201 V HA 0.698 4.851 4.120 0.054 0.000 0.297 2201 V C 1.005 176.832 176.094 -0.444 0.000 1.035 2201 V CA -0.234 61.782 62.300 -0.474 0.000 0.867 2201 V CB 1.215 32.708 31.823 -0.550 0.000 1.004 2201 V HN 0.370 nan 8.190 nan 0.000 0.426 2202 M N 6.011 125.351 119.600 -0.433 0.000 2.615 2202 M HA 0.286 4.798 4.480 0.054 0.000 0.262 2202 M C 0.741 176.961 176.300 -0.133 0.000 1.198 2202 M CA 0.610 55.802 55.300 -0.180 0.000 1.165 2202 M CB -0.469 32.121 32.600 -0.016 0.000 1.310 2202 M HN 0.612 nan 8.290 nan 0.000 0.494 2203 F N 1.610 121.561 119.950 0.002 0.000 2.390 2203 F HA 0.685 5.245 4.527 0.054 0.000 0.307 2203 F C 1.297 177.098 175.800 0.001 0.000 1.227 2203 F CA -0.412 57.589 58.000 0.001 0.000 1.179 2203 F CB -0.914 38.086 39.000 -0.000 0.000 1.280 2203 F HN 0.416 nan 8.300 nan 0.000 0.548 2204 G N 1.124 110.068 108.800 0.239 0.000 2.602 2204 G HA2 -0.300 3.692 3.960 0.054 0.000 0.306 2204 G HA3 -0.300 3.692 3.960 0.054 0.000 0.306 2204 G C -0.643 174.261 174.900 0.007 0.000 1.301 2204 G CA 0.402 45.588 45.100 0.144 0.000 0.974 2204 G HN 1.463 nan 8.290 nan 0.000 0.547 2205 N N 1.086 119.782 118.700 -0.006 0.000 2.272 2205 N HA 0.536 5.308 4.740 0.054 0.000 0.305 2205 N C -1.776 173.691 175.510 -0.070 0.000 1.103 2205 N CA -1.360 51.669 53.050 -0.035 0.000 0.791 2205 N CB 2.479 40.965 38.487 -0.002 0.000 1.356 2205 N HN 0.327 nan 8.380 nan 0.000 0.486 2206 P HA 0.148 nan 4.420 nan 0.000 0.249 2206 P C -0.379 176.887 177.300 -0.057 0.000 1.229 2206 P CA 0.378 63.423 63.100 -0.091 0.000 0.788 2206 P CB 0.530 32.183 31.700 -0.079 0.000 1.072 2207 E N 0.271 120.448 120.200 -0.039 0.000 2.366 2207 E HA 0.309 4.692 4.350 0.054 0.000 0.266 2207 E C 0.070 176.621 176.600 -0.080 0.000 1.051 2207 E CA 0.306 56.682 56.400 -0.040 0.000 0.884 2207 E CB 0.712 30.403 29.700 -0.015 0.000 1.006 2207 E HN 0.117 nan 8.360 nan 0.000 0.417 2208 T N 0.011 114.502 114.554 -0.106 0.000 2.618 2208 T HA 0.445 4.827 4.350 0.054 0.000 0.293 2208 T C -0.540 174.036 174.700 -0.207 0.000 1.093 2208 T CA -0.777 61.232 62.100 -0.153 0.000 1.061 2208 T CB 1.704 70.512 68.868 -0.100 0.000 1.498 2208 T HN 0.314 nan 8.240 nan 0.000 0.494 2209 T N 1.653 116.086 114.554 -0.203 0.000 2.912 2209 T HA 0.622 5.005 4.350 0.054 0.000 0.299 2209 T C -0.555 174.059 174.700 -0.142 0.000 1.052 2209 T CA -0.533 61.435 62.100 -0.219 0.000 0.996 2209 T CB 1.543 70.237 68.868 -0.291 0.000 1.070 2209 T HN 0.763 nan 8.240 nan 0.000 0.465 2210 T N 1.005 115.480 114.554 -0.132 0.000 2.868 2210 T HA 0.503 4.885 4.350 0.054 0.000 0.292 2210 T C 1.227 175.872 174.700 -0.091 0.000 1.028 2210 T CA 0.305 62.346 62.100 -0.100 0.000 1.059 2210 T CB 0.637 69.447 68.868 -0.096 0.000 0.991 2210 T HN 1.169 nan 8.240 nan 0.000 0.531 2211 G N 0.330 109.087 108.800 -0.071 0.000 2.212 2211 G HA2 0.264 4.257 3.960 0.054 0.000 0.255 2211 G HA3 0.264 4.257 3.960 0.054 0.000 0.255 2211 G C 0.697 175.557 174.900 -0.067 0.000 1.062 2211 G CA 0.111 45.166 45.100 -0.075 0.000 0.815 2211 G HN 1.841 nan 8.290 nan 0.000 0.497 2212 G N -0.337 108.437 108.800 -0.044 0.000 2.593 2212 G HA2 -0.193 3.799 3.960 0.054 0.000 0.237 2212 G HA3 -0.193 3.799 3.960 0.054 0.000 0.237 2212 G C 0.565 175.469 174.900 0.006 0.000 1.312 2212 G CA 0.502 45.592 45.100 -0.016 0.000 0.896 2212 G HN 0.956 nan 8.290 nan 0.000 0.574 2213 N N 0.362 119.099 118.700 0.062 0.000 2.250 2213 N HA 0.231 5.004 4.740 0.054 0.000 0.190 2213 N C 2.394 178.068 175.510 0.273 0.000 1.116 2213 N CA 1.155 54.296 53.050 0.150 0.000 0.881 2213 N CB 0.263 38.876 38.487 0.210 0.000 1.006 2213 N HN 0.842 nan 8.380 nan 0.000 0.491 2214 A N 1.586 124.523 122.820 0.196 0.000 1.883 2214 A HA -0.149 4.204 4.320 0.054 0.000 0.217 2214 A C 2.167 179.961 177.584 0.351 0.000 1.186 2214 A CA 1.147 53.352 52.037 0.280 0.000 0.624 2214 A CB -0.731 18.331 19.000 0.104 0.000 0.822 2214 A HN 0.198 nan 8.150 nan 0.000 0.444 2215 L N 0.027 121.323 121.223 0.122 0.000 2.079 2215 L HA -0.173 4.199 4.340 0.054 0.000 0.210 2215 L C 2.240 179.187 176.870 0.128 0.000 1.081 2215 L CA 2.252 57.131 54.840 0.065 0.000 0.752 2215 L CB -0.567 41.414 42.059 -0.130 0.000 0.896 2215 L HN 0.396 nan 8.230 nan 0.000 0.433 2216 K N -1.237 119.210 120.400 0.078 0.000 2.074 2216 K HA -0.230 4.123 4.320 0.054 0.000 0.209 2216 K C 2.033 178.587 176.600 -0.076 0.000 1.048 2216 K CA 2.056 58.313 56.287 -0.049 0.000 0.926 2216 K CB -0.455 31.917 32.500 -0.214 0.000 0.713 2216 K HN 0.278 nan 8.250 nan 0.000 0.444 2217 F N -0.744 119.243 119.950 0.062 0.000 2.149 2217 F HA -0.087 4.473 4.527 0.054 0.000 0.294 2217 F C 2.077 177.849 175.800 -0.047 0.000 1.095 2217 F CA 1.012 59.004 58.000 -0.014 0.000 1.276 2217 F CB -0.331 38.623 39.000 -0.076 0.000 1.023 2217 F HN -0.036 nan 8.300 nan 0.000 0.480 2218 Y N 0.182 120.612 120.300 0.216 0.000 2.395 2218 Y HA 0.192 4.775 4.550 0.054 0.000 0.293 2218 Y C 1.672 177.635 175.900 0.106 0.000 1.123 2218 Y CA 0.008 58.194 58.100 0.144 0.000 1.227 2218 Y CB -0.782 37.745 38.460 0.111 0.000 1.012 2218 Y HN -0.117 nan 8.280 nan 0.000 0.552 2219 A N 0.005 122.959 122.820 0.224 0.000 2.546 2219 A HA 0.083 4.435 4.320 0.054 0.000 0.243 2219 A C 1.257 178.888 177.584 0.078 0.000 1.063 2219 A CA 0.607 52.730 52.037 0.143 0.000 0.757 2219 A CB 0.081 19.147 19.000 0.109 0.000 0.991 2219 A HN 0.362 nan 8.150 nan 0.000 0.503 2220 S N 0.620 116.357 115.700 0.061 0.000 2.486 2220 S HA 0.197 4.699 4.470 0.054 0.000 0.220 2220 S C 0.329 174.909 174.600 -0.033 0.000 1.011 2220 S CA 0.462 58.668 58.200 0.010 0.000 0.921 2220 S CB 0.128 63.338 63.200 0.016 0.000 0.785 2220 S HN 0.568 nan 8.310 nan 0.000 0.517 2221 V N 2.352 122.255 119.914 -0.017 0.000 2.733 2221 V HA 0.460 4.612 4.120 0.054 0.000 0.306 2221 V C -0.902 175.178 176.094 -0.023 0.000 1.084 2221 V CA -0.846 61.425 62.300 -0.048 0.000 0.905 2221 V CB 2.148 33.943 31.823 -0.046 0.000 1.010 2221 V HN 0.139 nan 8.190 nan 0.000 0.424 2222 R N 4.203 124.672 120.500 -0.051 0.000 2.480 2222 R HA 0.670 5.042 4.340 0.054 0.000 0.306 2222 R C -1.849 174.387 176.300 -0.107 0.000 0.958 2222 R CA -0.903 55.182 56.100 -0.025 0.000 0.861 2222 R CB 2.254 32.584 30.300 0.051 0.000 1.171 2222 R HN 0.339 nan 8.270 nan 0.000 0.445 2223 L N 2.410 123.535 121.223 -0.163 0.000 2.313 2223 L HA 0.290 4.662 4.340 0.054 0.000 0.283 2223 L C -0.180 176.379 176.870 -0.518 0.000 1.013 2223 L CA -0.533 54.170 54.840 -0.228 0.000 0.816 2223 L CB 1.404 43.395 42.059 -0.114 0.000 1.236 2223 L HN 0.491 nan 8.230 nan 0.000 0.419 2224 D N 4.299 124.405 120.400 -0.489 0.000 2.443 2224 D HA 0.248 4.920 4.640 0.054 0.000 0.221 2224 D C -0.597 175.567 176.300 -0.227 0.000 1.097 2224 D CA -0.207 53.443 54.000 -0.584 0.000 0.865 2224 D CB 0.812 41.407 40.800 -0.341 0.000 1.034 2224 D HN 0.452 nan 8.370 nan 0.000 0.511 2225 I N 3.339 123.813 120.570 -0.159 0.000 2.392 2225 I HA 0.471 4.674 4.170 0.054 0.000 0.295 2225 I C -0.626 175.484 176.117 -0.010 0.000 0.985 2225 I CA -0.631 60.640 61.300 -0.049 0.000 1.221 2225 I CB 0.605 38.612 38.000 0.013 0.000 1.366 2225 I HN 0.243 nan 8.210 nan 0.000 0.467 2226 R N 5.638 126.120 120.500 -0.030 0.000 2.626 2226 R HA 0.377 4.749 4.340 0.054 0.000 0.274 2226 R C -1.088 175.191 176.300 -0.036 0.000 1.031 2226 R CA -0.900 55.194 56.100 -0.010 0.000 0.898 2226 R CB 1.999 32.295 30.300 -0.008 0.000 1.222 2226 R HN 0.567 nan 8.270 nan 0.000 0.455 2227 R N 3.983 124.485 120.500 0.002 0.000 2.298 2227 R HA 0.180 4.552 4.340 0.054 0.000 0.310 2227 R C 0.685 176.975 176.300 -0.016 0.000 1.068 2227 R CA 0.122 56.223 56.100 0.002 0.000 0.957 2227 R CB 0.464 30.803 30.300 0.064 0.000 1.003 2227 R HN 0.774 nan 8.270 nan 0.000 0.454 2228 I N 0.455 120.998 120.570 -0.045 0.000 4.181 2228 I HA 0.485 4.687 4.170 0.054 0.000 0.331 2228 I C 0.458 176.548 176.117 -0.045 0.000 1.312 2228 I CA -0.206 61.065 61.300 -0.048 0.000 1.146 2228 I CB 1.042 39.002 38.000 -0.067 0.000 1.074 2228 I HN 0.627 nan 8.210 nan 0.000 0.402 2229 G N 1.052 109.824 108.800 -0.046 0.000 2.441 2229 G HA2 0.661 4.653 3.960 0.054 0.000 0.294 2229 G HA3 0.661 4.653 3.960 0.054 0.000 0.294 2229 G C -1.979 172.883 174.900 -0.062 0.000 1.393 2229 G CA -0.233 44.834 45.100 -0.056 0.000 0.796 2229 G HN 0.296 nan 8.290 nan 0.000 0.494 2230 A N -0.542 122.226 122.820 -0.085 0.000 2.317 2230 A HA 0.725 5.078 4.320 0.054 0.000 0.327 2230 A C -0.253 177.288 177.584 -0.072 0.000 1.178 2230 A CA -0.530 51.452 52.037 -0.092 0.000 0.817 2230 A CB 1.550 20.455 19.000 -0.159 0.000 1.189 2230 A HN 1.338 nan 8.150 nan 0.000 0.489 2231 V N 3.766 123.633 119.914 -0.078 0.000 2.389 2231 V HA 0.195 4.348 4.120 0.054 0.000 0.264 2231 V C 0.363 176.427 176.094 -0.049 0.000 1.049 2231 V CA 0.003 62.260 62.300 -0.071 0.000 0.932 2231 V CB 0.351 32.115 31.823 -0.100 0.000 1.011 2231 V HN 0.847 nan 8.190 nan 0.000 0.475 2232 K N 3.347 123.728 120.400 -0.032 0.000 2.156 2232 K HA 0.479 4.832 4.320 0.054 0.000 0.254 2232 K C -0.124 176.474 176.600 -0.004 0.000 0.950 2232 K CA -0.709 55.570 56.287 -0.013 0.000 0.849 2232 K CB 1.711 34.201 32.500 -0.017 0.000 1.100 2232 K HN 0.477 nan 8.250 nan 0.000 0.434 2233 E N 1.837 122.043 120.200 0.010 0.000 3.312 2233 E HA 0.124 4.506 4.350 0.054 0.000 0.215 2233 E C 0.551 177.160 176.600 0.014 0.000 1.160 2233 E CA -0.141 56.267 56.400 0.013 0.000 1.267 2233 E CB 0.735 30.450 29.700 0.024 0.000 1.361 2233 E HN 1.007 nan 8.360 nan 0.000 0.433 2234 G N 2.592 111.396 108.800 0.007 0.000 4.230 2234 G HA2 -0.432 3.560 3.960 0.054 0.000 0.340 2234 G HA3 -0.432 3.560 3.960 0.054 0.000 0.340 2234 G C 1.167 176.074 174.900 0.011 0.000 1.315 2234 G CA 0.725 45.830 45.100 0.007 0.000 1.033 2234 G HN 0.451 nan 8.290 nan 0.000 0.741 2235 E N 1.886 122.097 120.200 0.018 0.000 2.021 2235 E HA 0.001 4.383 4.350 0.054 0.000 0.189 2235 E C 1.187 177.808 176.600 0.036 0.000 0.980 2235 E CA 0.893 57.308 56.400 0.025 0.000 0.803 2235 E CB -0.373 29.344 29.700 0.028 0.000 0.766 2235 E HN 0.689 nan 8.360 nan 0.000 0.449 2236 N N 0.357 119.084 118.700 0.045 0.000 2.525 2236 N HA 0.110 4.882 4.740 0.054 0.000 0.271 2236 N C -0.775 174.782 175.510 0.079 0.000 1.194 2236 N CA -0.141 52.951 53.050 0.071 0.000 0.964 2236 N CB 1.532 40.065 38.487 0.077 0.000 1.126 2236 N HN -0.199 nan 8.380 nan 0.000 0.452 2237 V N 2.210 122.203 119.914 0.132 0.000 2.320 2237 V HA 0.092 4.244 4.120 0.054 0.000 0.265 2237 V C 0.605 176.850 176.094 0.253 0.000 1.048 2237 V CA -0.257 62.142 62.300 0.165 0.000 0.865 2237 V CB 1.029 32.982 31.823 0.217 0.000 1.043 2237 V HN 0.569 nan 8.190 nan 0.000 0.474 2238 V N 4.428 124.404 119.914 0.103 0.000 3.621 2238 V HA 0.626 4.778 4.120 0.054 0.000 0.285 2238 V C 0.856 176.768 176.094 -0.302 0.000 1.346 2238 V CA 1.235 63.571 62.300 0.060 0.000 1.104 2238 V CB 0.243 32.088 31.823 0.037 0.000 0.913 2238 V HN 0.902 nan 8.190 nan 0.000 0.432 2239 G N -1.175 107.291 108.800 -0.556 0.000 2.506 2239 G HA2 0.460 4.452 3.960 0.054 0.000 0.292 2239 G HA3 0.460 4.452 3.960 0.054 0.000 0.292 2239 G C -1.439 173.140 174.900 -0.535 0.000 1.425 2239 G CA -0.295 44.199 45.100 -1.011 0.000 0.788 2239 G HN -0.009 nan 8.290 nan 0.000 0.490 2240 S N -0.047 115.446 115.700 -0.344 0.000 2.433 2240 S HA 0.486 4.988 4.470 0.054 0.000 0.310 2240 S C -0.298 174.273 174.600 -0.048 0.000 1.097 2240 S CA -0.410 57.778 58.200 -0.020 0.000 1.103 2240 S CB 1.632 64.936 63.200 0.172 0.000 0.992 2240 S HN 0.583 nan 8.310 nan 0.000 0.469 2241 E N 2.244 122.409 120.200 -0.057 0.000 2.324 2241 E HA 0.300 4.683 4.350 0.054 0.000 0.271 2241 E C -0.582 175.937 176.600 -0.135 0.000 1.028 2241 E CA 0.364 56.712 56.400 -0.087 0.000 0.890 2241 E CB 0.528 30.184 29.700 -0.074 0.000 1.004 2241 E HN 0.447 nan 8.360 nan 0.000 0.431 2242 T N 4.996 119.388 114.554 -0.271 0.000 2.876 2242 T HA 0.500 4.882 4.350 0.054 0.000 0.289 2242 T C -0.749 173.619 174.700 -0.554 0.000 1.014 2242 T CA -0.756 61.088 62.100 -0.426 0.000 0.986 2242 T CB 1.243 69.757 68.868 -0.590 0.000 1.021 2242 T HN 0.322 nan 8.240 nan 0.000 0.458 2243 R N 2.140 122.417 120.500 -0.371 0.000 2.513 2243 R HA 0.672 5.044 4.340 0.054 0.000 0.301 2243 R C -1.820 174.367 176.300 -0.189 0.000 0.968 2243 R CA -0.509 55.427 56.100 -0.273 0.000 0.872 2243 R CB 1.339 31.551 30.300 -0.145 0.000 1.177 2243 R HN 0.452 nan 8.270 nan 0.000 0.444 2244 V N 4.763 124.603 119.914 -0.122 0.000 2.448 2244 V HA 0.391 4.544 4.120 0.054 0.000 0.295 2244 V C -0.199 175.886 176.094 -0.015 0.000 1.025 2244 V CA -0.809 61.472 62.300 -0.031 0.000 0.859 2244 V CB 1.741 33.615 31.823 0.086 0.000 0.988 2244 V HN 0.658 nan 8.190 nan 0.000 0.431 2245 K N 2.946 123.326 120.400 -0.034 0.000 2.159 2245 K HA 0.579 4.932 4.320 0.054 0.000 0.266 2245 K C -0.866 175.708 176.600 -0.042 0.000 0.975 2245 K CA -0.681 55.601 56.287 -0.008 0.000 0.865 2245 K CB 2.195 34.711 32.500 0.026 0.000 1.087 2245 K HN 0.462 nan 8.250 nan 0.000 0.446 2246 V N 4.653 124.544 119.914 -0.039 0.000 2.338 2246 V HA -0.005 4.147 4.120 0.054 0.000 0.255 2246 V C 1.124 177.101 176.094 -0.194 0.000 1.082 2246 V CA -0.050 62.183 62.300 -0.113 0.000 0.951 2246 V CB 0.720 32.470 31.823 -0.122 0.000 1.102 2246 V HN 0.667 nan 8.190 nan 0.000 0.489 2247 V N 3.744 123.561 119.914 -0.160 0.000 2.649 2247 V HA 0.068 4.221 4.120 0.054 0.000 0.248 2247 V C 0.976 176.873 176.094 -0.327 0.000 1.054 2247 V CA 1.322 63.545 62.300 -0.128 0.000 1.073 2247 V CB -0.087 31.768 31.823 0.054 0.000 0.699 2247 V HN 0.783 nan 8.190 nan 0.000 0.463 2248 K N 0.803 121.042 120.400 -0.268 0.000 2.427 2248 K HA 0.410 4.762 4.320 0.054 0.000 0.252 2248 K C -1.525 174.911 176.600 -0.273 0.000 0.931 2248 K CA -0.587 55.529 56.287 -0.286 0.000 0.793 2248 K CB 1.739 34.151 32.500 -0.147 0.000 1.211 2248 K HN 0.134 nan 8.250 nan 0.000 0.426 2249 N N 2.982 121.491 118.700 -0.318 0.000 2.519 2249 N HA 0.219 4.991 4.740 0.054 0.000 0.291 2249 N C -0.934 174.412 175.510 -0.273 0.000 1.107 2249 N CA -0.375 52.512 53.050 -0.272 0.000 0.904 2249 N CB 1.710 40.014 38.487 -0.305 0.000 1.500 2249 N HN 0.635 nan 8.380 nan 0.000 0.510 2250 K N 2.383 122.662 120.400 -0.202 0.000 2.358 2250 K HA 0.295 4.647 4.320 0.054 0.000 0.197 2250 K C 0.658 177.124 176.600 -0.223 0.000 1.025 2250 K CA 0.163 56.329 56.287 -0.202 0.000 1.104 2250 K CB 0.545 32.981 32.500 -0.107 0.000 0.855 2250 K HN 0.394 nan 8.250 nan 0.000 0.531 2251 I N -0.366 120.083 120.570 -0.202 0.000 4.312 2251 I HA 0.197 4.399 4.170 0.054 0.000 0.324 2251 I C -0.042 175.981 176.117 -0.156 0.000 1.298 2251 I CA -0.074 61.138 61.300 -0.148 0.000 1.231 2251 I CB 1.193 39.139 38.000 -0.091 0.000 1.152 2251 I HN -0.054 nan 8.210 nan 0.000 0.421 2252 A N -0.330 122.370 122.820 -0.201 0.000 2.557 2252 A HA 0.841 5.194 4.320 0.054 0.000 0.292 2252 A C -0.898 176.535 177.584 -0.251 0.000 1.139 2252 A CA -0.209 51.726 52.037 -0.170 0.000 0.665 2252 A CB -0.028 18.914 19.000 -0.098 0.000 1.285 2252 A HN 0.064 nan 8.150 nan 0.000 0.433 2253 A N 1.342 124.048 122.820 -0.191 0.000 2.540 2253 A HA 0.550 4.902 4.320 0.054 0.000 0.239 2253 A C -1.993 175.405 177.584 -0.311 0.000 1.061 2253 A CA -0.292 51.574 52.037 -0.285 0.000 0.758 2253 A CB -0.742 18.234 19.000 -0.041 0.000 0.991 2253 A HN 0.544 nan 8.150 nan 0.000 0.502 2254 P HA 0.543 nan 4.420 nan 0.000 0.284 2254 P C -0.211 176.930 177.300 -0.265 0.000 1.292 2254 P CA -0.325 62.450 63.100 -0.542 0.000 0.800 2254 P CB 0.229 31.337 31.700 -0.988 0.000 1.188 2255 F N -4.447 115.476 119.950 -0.046 0.000 2.746 2255 F HA -0.196 4.364 4.527 0.054 0.000 0.315 2255 F C 0.654 176.460 175.800 0.010 0.000 0.666 2255 F CA 0.688 58.688 58.000 0.001 0.000 1.381 2255 F CB -2.398 36.628 39.000 0.043 0.000 1.739 2255 F HN 0.226 nan 8.300 nan 0.000 0.322 2256 K N 1.207 121.668 120.400 0.102 0.000 2.126 2256 K HA 0.543 4.895 4.320 0.054 0.000 0.257 2256 K C 0.442 177.076 176.600 0.056 0.000 1.007 2256 K CA -0.403 55.929 56.287 0.076 0.000 0.928 2256 K CB 0.958 33.483 32.500 0.041 0.000 1.013 2256 K HN 0.422 nan 8.250 nan 0.000 0.473 2257 Q N -0.393 119.438 119.800 0.051 0.000 2.495 2257 Q HA 0.748 5.120 4.340 0.054 0.000 0.287 2257 Q C -1.713 174.312 176.000 0.042 0.000 1.078 2257 Q CA -1.330 54.496 55.803 0.039 0.000 0.793 2257 Q CB 2.088 30.845 28.738 0.032 0.000 1.459 2257 Q HN 0.524 nan 8.270 nan 0.000 0.422 2258 A N 1.299 124.151 122.820 0.052 0.000 2.374 2258 A HA 0.572 4.925 4.320 0.054 0.000 0.305 2258 A C -1.230 176.378 177.584 0.040 0.000 1.053 2258 A CA -0.678 51.419 52.037 0.099 0.000 0.726 2258 A CB 1.496 20.615 19.000 0.199 0.000 1.229 2258 A HN 0.712 nan 8.150 nan 0.000 0.431 2259 E N 1.247 121.463 120.200 0.028 0.000 2.187 2259 E HA 0.668 5.050 4.350 0.054 0.000 0.268 2259 E C -1.227 175.382 176.600 0.016 0.000 0.896 2259 E CA -0.336 56.002 56.400 -0.103 0.000 0.766 2259 E CB 1.899 31.555 29.700 -0.074 0.000 1.142 2259 E HN 0.616 nan 8.360 nan 0.000 0.408 2260 F N -1.094 118.847 119.950 -0.016 0.000 2.923 2260 F HA 0.439 4.998 4.527 0.054 0.000 0.323 2260 F C -1.161 174.629 175.800 -0.017 0.000 1.189 2260 F CA -1.243 56.744 58.000 -0.022 0.000 0.930 2260 F CB 1.001 39.988 39.000 -0.022 0.000 1.414 2260 F HN 0.134 nan 8.300 nan 0.000 0.496 2261 Q N 1.260 121.249 119.800 0.315 0.000 2.282 2261 Q HA 0.626 4.998 4.340 0.054 0.000 0.260 2261 Q C -1.189 174.969 176.000 0.262 0.000 0.964 2261 Q CA -0.718 55.184 55.803 0.165 0.000 0.880 2261 Q CB 2.938 31.715 28.738 0.066 0.000 1.286 2261 Q HN 0.573 nan 8.270 nan 0.000 0.445 2262 I N 3.946 124.613 120.570 0.162 0.000 2.306 2262 I HA 0.215 4.417 4.170 0.054 0.000 0.288 2262 I C -0.562 175.535 176.117 -0.034 0.000 1.036 2262 I CA -0.432 60.959 61.300 0.151 0.000 1.221 2262 I CB 0.561 38.699 38.000 0.229 0.000 1.385 2262 I HN 0.382 nan 8.210 nan 0.000 0.472 2263 L N 7.045 128.261 121.223 -0.011 0.000 2.281 2263 L HA 0.287 4.659 4.340 0.054 0.000 0.285 2263 L C -0.483 176.415 176.870 0.047 0.000 1.074 2263 L CA -0.783 54.004 54.840 -0.088 0.000 0.817 2263 L CB 0.067 42.118 42.059 -0.014 0.000 1.168 2263 L HN 0.377 nan 8.230 nan 0.000 0.434 2264 Y N 2.109 122.502 120.300 0.155 0.000 2.717 2264 Y HA 0.179 4.762 4.550 0.054 0.000 0.330 2264 Y C 1.513 177.543 175.900 0.216 0.000 1.217 2264 Y CA 0.418 58.642 58.100 0.206 0.000 1.506 2264 Y CB -0.047 38.503 38.460 0.151 0.000 1.268 2264 Y HN 0.858 nan 8.280 nan 0.000 0.561 2265 G N 1.804 110.921 108.800 0.528 0.000 2.184 2265 G HA2 -0.372 3.620 3.960 0.054 0.000 0.264 2265 G HA3 -0.372 3.620 3.960 0.054 0.000 0.264 2265 G C 0.944 175.888 174.900 0.074 0.000 0.975 2265 G CA 0.774 46.059 45.100 0.308 0.000 0.642 2265 G HN 0.656 nan 8.290 nan 0.000 0.536 2266 E N -1.079 119.166 120.200 0.075 0.000 2.357 2266 E HA 0.463 4.845 4.350 0.054 0.000 0.202 2266 E C 1.381 177.970 176.600 -0.018 0.000 0.855 2266 E CA 1.310 57.721 56.400 0.017 0.000 1.048 2266 E CB 0.614 30.341 29.700 0.046 0.000 1.037 2266 E HN 1.659 nan 8.360 nan 0.000 0.499 2267 G N 0.633 109.449 108.800 0.027 0.000 2.342 2267 G HA2 -0.131 3.861 3.960 0.054 0.000 0.220 2267 G HA3 -0.131 3.861 3.960 0.054 0.000 0.220 2267 G C -0.748 174.183 174.900 0.052 0.000 1.243 2267 G CA -0.444 44.669 45.100 0.020 0.000 1.083 2267 G HN 0.158 nan 8.290 nan 0.000 0.500 2268 I N 1.440 122.019 120.570 0.016 0.000 2.683 2268 I HA 0.052 4.254 4.170 0.054 0.000 0.286 2268 I C 0.655 176.782 176.117 0.016 0.000 1.175 2268 I CA -0.193 61.103 61.300 -0.007 0.000 1.429 2268 I CB 0.662 38.537 38.000 -0.208 0.000 1.371 2268 I HN 0.453 nan 8.210 nan 0.000 0.569 2269 N N 6.501 125.238 118.700 0.061 0.000 2.605 2269 N HA -0.023 4.749 4.740 0.054 0.000 0.258 2269 N C 0.464 175.990 175.510 0.025 0.000 1.156 2269 N CA 0.191 53.279 53.050 0.063 0.000 1.008 2269 N CB -0.014 38.516 38.487 0.072 0.000 1.354 2269 N HN 0.506 nan 8.380 nan 0.000 0.509 2270 F N 3.417 123.263 119.950 -0.174 0.000 2.128 2270 F HA -0.090 4.470 4.527 0.054 0.000 0.295 2270 F C 0.875 176.518 175.800 -0.261 0.000 1.100 2270 F CA 1.381 59.203 58.000 -0.297 0.000 1.260 2270 F CB -0.063 38.652 39.000 -0.474 0.000 1.009 2270 F HN 0.419 nan 8.300 nan 0.000 0.476 2271 Y N 0.402 120.748 120.300 0.077 0.000 2.373 2271 Y HA 0.054 4.636 4.550 0.054 0.000 0.293 2271 Y C 2.645 178.486 175.900 -0.097 0.000 1.129 2271 Y CA 0.849 58.937 58.100 -0.019 0.000 1.226 2271 Y CB -1.323 37.173 38.460 0.061 0.000 1.000 2271 Y HN 0.129 nan 8.280 nan 0.000 0.549 2272 G N 0.066 108.900 108.800 0.057 0.000 2.446 2272 G HA2 -0.269 3.724 3.960 0.054 0.000 0.217 2272 G HA3 -0.269 3.724 3.960 0.054 0.000 0.217 2272 G C 1.508 176.372 174.900 -0.061 0.000 1.168 2272 G CA 1.161 46.258 45.100 -0.005 0.000 0.771 2272 G HN 0.405 nan 8.290 nan 0.000 0.551 2273 E N -0.331 119.794 120.200 -0.125 0.000 2.058 2273 E HA -0.132 4.250 4.350 0.054 0.000 0.194 2273 E C 2.416 178.897 176.600 -0.197 0.000 0.997 2273 E CA 0.869 57.169 56.400 -0.167 0.000 0.801 2273 E CB -0.233 29.300 29.700 -0.278 0.000 0.746 2273 E HN 0.301 nan 8.360 nan 0.000 0.450 2274 L N 0.732 121.780 121.223 -0.292 0.000 2.042 2274 L HA -0.188 4.185 4.340 0.054 0.000 0.210 2274 L C 2.225 179.046 176.870 -0.081 0.000 1.076 2274 L CA 1.375 56.088 54.840 -0.213 0.000 0.749 2274 L CB -0.393 41.560 42.059 -0.177 0.000 0.893 2274 L HN -0.021 nan 8.230 nan 0.000 0.432 2275 V N -0.227 119.653 119.914 -0.057 0.000 2.233 2275 V HA -0.334 3.818 4.120 0.054 0.000 0.247 2275 V C 2.302 178.396 176.094 -0.000 0.000 1.050 2275 V CA 2.116 64.386 62.300 -0.049 0.000 1.010 2275 V CB -0.785 30.950 31.823 -0.146 0.000 0.637 2275 V HN 0.434 nan 8.190 nan 0.000 0.444 2276 D N -0.150 120.245 120.400 -0.008 0.000 2.123 2276 D HA -0.129 4.543 4.640 0.054 0.000 0.196 2276 D C 2.068 178.382 176.300 0.023 0.000 0.992 2276 D CA 0.994 55.010 54.000 0.027 0.000 0.833 2276 D CB -0.279 40.529 40.800 0.014 0.000 0.954 2276 D HN 0.176 nan 8.370 nan 0.000 0.455 2277 L N 0.521 121.737 121.223 -0.010 0.000 2.093 2277 L HA -0.008 4.364 4.340 0.054 0.000 0.208 2277 L C 2.471 179.350 176.870 0.015 0.000 1.085 2277 L CA 1.478 56.313 54.840 -0.009 0.000 0.755 2277 L CB -1.570 40.461 42.059 -0.046 0.000 0.904 2277 L HN 0.073 nan 8.230 nan 0.000 0.435 2278 G N -0.904 107.907 108.800 0.018 0.000 2.421 2278 G HA2 -0.172 3.821 3.960 0.054 0.000 0.216 2278 G HA3 -0.172 3.821 3.960 0.054 0.000 0.216 2278 G C 1.763 176.713 174.900 0.082 0.000 1.171 2278 G CA 0.893 46.023 45.100 0.049 0.000 0.775 2278 G HN 0.240 nan 8.290 nan 0.000 0.543 2279 V N 0.784 120.757 119.914 0.099 0.000 2.343 2279 V HA -0.147 4.006 4.120 0.054 0.000 0.247 2279 V C 2.707 178.846 176.094 0.074 0.000 1.051 2279 V CA 2.199 64.568 62.300 0.114 0.000 1.036 2279 V CB -0.345 31.578 31.823 0.167 0.000 0.654 2279 V HN 0.395 nan 8.190 nan 0.000 0.451 2280 K N -0.168 120.268 120.400 0.060 0.000 2.097 2280 K HA -0.184 4.168 4.320 0.054 0.000 0.206 2280 K C 1.689 178.313 176.600 0.041 0.000 1.049 2280 K CA 1.353 57.666 56.287 0.043 0.000 0.933 2280 K CB 0.007 32.528 32.500 0.034 0.000 0.717 2280 K HN 0.360 nan 8.250 nan 0.000 0.442 2281 E N 0.810 121.037 120.200 0.046 0.000 2.437 2281 E HA -0.008 4.375 4.350 0.054 0.000 0.189 2281 E C -0.260 176.372 176.600 0.054 0.000 1.054 2281 E CA 0.120 56.547 56.400 0.045 0.000 0.874 2281 E CB 0.495 30.221 29.700 0.044 0.000 1.011 2281 E HN 0.179 nan 8.360 nan 0.000 0.474 2282 K N -0.116 120.319 120.400 0.058 0.000 3.160 2282 K HA -0.200 4.152 4.320 0.054 0.000 0.280 2282 K C 0.924 177.573 176.600 0.082 0.000 1.154 2282 K CA 0.457 56.780 56.287 0.060 0.000 0.822 2282 K CB -2.182 30.343 32.500 0.041 0.000 1.239 2282 K HN 0.272 nan 8.250 nan 0.000 0.489 2283 L N -0.510 120.780 121.223 0.113 0.000 2.298 2283 L HA 0.212 4.585 4.340 0.054 0.000 0.209 2283 L C 1.166 178.194 176.870 0.264 0.000 1.084 2283 L CA 0.536 55.483 54.840 0.179 0.000 0.816 2283 L CB 0.148 42.314 42.059 0.179 0.000 0.967 2283 L HN 0.116 nan 8.230 nan 0.000 0.460 2284 I N -0.216 120.477 120.570 0.205 0.000 2.404 2284 I HA 0.202 4.404 4.170 0.054 0.000 0.293 2284 I C -0.199 176.013 176.117 0.157 0.000 0.992 2284 I CA -0.611 60.828 61.300 0.231 0.000 1.149 2284 I CB 2.179 40.305 38.000 0.211 0.000 1.315 2284 I HN -0.106 nan 8.210 nan 0.000 0.446 2285 E N 5.630 125.907 120.200 0.128 0.000 2.331 2285 E HA 0.235 4.617 4.350 0.054 0.000 0.272 2285 E C -0.699 175.907 176.600 0.011 0.000 1.036 2285 E CA -0.212 56.221 56.400 0.054 0.000 0.864 2285 E CB 0.937 30.654 29.700 0.027 0.000 1.035 2285 E HN 0.291 nan 8.360 nan 0.000 0.408 2286 K N 2.637 122.996 120.400 -0.069 0.000 2.616 2286 K HA 0.495 4.848 4.320 0.054 0.000 0.241 2286 K C -1.629 174.881 176.600 -0.150 0.000 0.961 2286 K CA -0.618 55.527 56.287 -0.238 0.000 0.942 2286 K CB 1.092 33.398 32.500 -0.324 0.000 1.153 2286 K HN 0.505 nan 8.250 nan 0.000 0.452 2287 A N 3.437 126.200 122.820 -0.095 0.000 2.880 2287 A HA 0.551 4.904 4.320 0.054 0.000 0.328 2287 A C 0.872 178.455 177.584 -0.002 0.000 1.440 2287 A CA 0.393 52.415 52.037 -0.024 0.000 1.068 2287 A CB -0.211 18.798 19.000 0.015 0.000 1.163 2287 A HN 1.045 nan 8.150 nan 0.000 0.510 2288 G N 1.600 110.368 108.800 -0.052 0.000 3.274 2288 G HA2 -0.123 3.869 3.960 0.054 0.000 0.313 2288 G HA3 -0.123 3.869 3.960 0.054 0.000 0.313 2288 G C 1.325 176.156 174.900 -0.115 0.000 1.295 2288 G CA 0.867 45.939 45.100 -0.048 0.000 1.004 2288 G HN 1.918 nan 8.290 nan 0.000 0.614 2289 A N -0.875 121.887 122.820 -0.097 0.000 2.343 2289 A HA 0.527 4.879 4.320 0.054 0.000 0.223 2289 A C 0.569 177.992 177.584 -0.269 0.000 1.214 2289 A CA 0.439 52.365 52.037 -0.186 0.000 0.900 2289 A CB 0.094 18.985 19.000 -0.183 0.000 0.942 2289 A HN 0.572 nan 8.150 nan 0.000 0.507 2290 W N 0.044 121.249 121.300 -0.158 0.000 2.358 2290 W HA 0.496 5.188 4.660 0.053 0.000 0.307 2290 W C -0.837 175.560 176.519 -0.204 0.000 1.203 2290 W CA -0.088 57.195 57.345 -0.103 0.000 1.279 2290 W CB 0.319 29.738 29.460 -0.069 0.000 1.264 2290 W HN 0.237 nan 8.180 nan 0.000 0.474 2291 Y N 2.942 123.364 120.300 0.204 0.000 2.341 2291 Y HA 0.370 4.953 4.550 0.054 0.000 0.340 2291 Y C 0.548 176.501 175.900 0.088 0.000 0.997 2291 Y CA -0.243 57.917 58.100 0.100 0.000 1.149 2291 Y CB 1.019 39.490 38.460 0.018 0.000 1.171 2291 Y HN 0.143 nan 8.280 nan 0.000 0.494 2292 S N 2.901 118.699 115.700 0.164 0.000 2.532 2292 S HA 0.435 4.938 4.470 0.054 0.000 0.301 2292 S C -1.790 172.872 174.600 0.103 0.000 1.083 2292 S CA -0.794 57.446 58.200 0.067 0.000 1.025 2292 S CB 1.319 64.527 63.200 0.013 0.000 1.056 2292 S HN 0.501 nan 8.310 nan 0.000 0.494 2293 Y N 2.473 122.700 120.300 -0.123 0.000 2.326 2293 Y HA 0.360 4.942 4.550 0.054 0.000 0.329 2293 Y C -0.065 175.806 175.900 -0.048 0.000 0.973 2293 Y CA -1.088 56.965 58.100 -0.078 0.000 1.162 2293 Y CB 0.492 38.888 38.460 -0.108 0.000 1.147 2293 Y HN 0.806 nan 8.280 nan 0.000 0.456 2294 K N 5.043 125.147 120.400 -0.494 0.000 3.278 2294 K HA -0.263 4.089 4.320 0.054 0.000 0.270 2294 K C 0.986 177.461 176.600 -0.209 0.000 0.955 2294 K CA 0.983 57.019 56.287 -0.419 0.000 0.723 2294 K CB -1.627 30.508 32.500 -0.610 0.000 1.382 2294 K HN 1.325 nan 8.250 nan 0.000 0.461 2295 G N 0.211 108.929 108.800 -0.138 0.000 2.417 2295 G HA2 -0.397 3.596 3.960 0.054 0.000 0.233 2295 G HA3 -0.397 3.596 3.960 0.054 0.000 0.233 2295 G C 0.000 174.845 174.900 -0.093 0.000 1.103 2295 G CA 0.509 45.550 45.100 -0.099 0.000 0.647 2295 G HN 0.549 nan 8.290 nan 0.000 0.512 2296 E N 1.900 122.047 120.200 -0.089 0.000 2.290 2296 E HA 0.341 4.723 4.350 0.054 0.000 0.277 2296 E C 0.119 176.652 176.600 -0.113 0.000 1.035 2296 E CA -0.366 55.987 56.400 -0.078 0.000 0.873 2296 E CB 0.243 29.926 29.700 -0.029 0.000 1.029 2296 E HN 0.378 nan 8.360 nan 0.000 0.419 2297 K N 4.975 125.306 120.400 -0.115 0.000 2.322 2297 K HA 0.146 4.498 4.320 0.054 0.000 0.283 2297 K C 0.945 177.452 176.600 -0.156 0.000 1.042 2297 K CA -0.017 56.224 56.287 -0.077 0.000 0.958 2297 K CB 0.777 33.205 32.500 -0.121 0.000 0.984 2297 K HN 0.569 nan 8.250 nan 0.000 0.473 2298 I N -1.834 118.590 120.570 -0.243 0.000 4.181 2298 I HA 0.309 4.511 4.170 0.054 0.000 0.331 2298 I C 0.548 176.510 176.117 -0.260 0.000 1.312 2298 I CA -0.319 60.540 61.300 -0.736 0.000 1.146 2298 I CB 0.979 38.173 38.000 -1.344 0.000 1.074 2298 I HN 0.591 nan 8.210 nan 0.000 0.402 2299 G N 1.173 110.014 108.800 0.068 0.000 2.361 2299 G HA2 0.210 4.202 3.960 0.054 0.000 0.299 2299 G HA3 0.210 4.202 3.960 0.054 0.000 0.299 2299 G C -2.142 172.708 174.900 -0.084 0.000 1.544 2299 G CA -0.694 44.433 45.100 0.046 0.000 0.860 2299 G HN 0.192 nan 8.290 nan 0.000 0.610 2300 Q N 0.211 119.754 119.800 -0.428 0.000 2.325 2300 Q HA 0.557 4.929 4.340 0.054 0.000 0.262 2300 Q C 0.365 176.213 176.000 -0.253 0.000 0.968 2300 Q CA 0.434 55.824 55.803 -0.689 0.000 0.877 2300 Q CB 1.242 29.252 28.738 -1.215 0.000 1.253 2300 Q HN 2.400 nan 8.270 nan 0.000 0.448 2301 G N 3.011 111.793 108.800 -0.030 0.000 2.767 2301 G HA2 -0.260 3.732 3.960 0.054 0.000 0.686 2301 G HA3 -0.260 3.732 3.960 0.054 0.000 0.686 2301 G C 0.083 174.993 174.900 0.015 0.000 1.213 2301 G CA 0.013 45.157 45.100 0.073 0.000 0.803 2301 G HN 0.812 nan 8.290 nan 0.000 0.603 2302 K N 1.151 121.554 120.400 0.005 0.000 2.127 2302 K HA -0.103 4.249 4.320 0.054 0.000 0.208 2302 K C 2.937 179.417 176.600 -0.200 0.000 1.047 2302 K CA 2.611 58.736 56.287 -0.271 0.000 0.927 2302 K CB -0.325 32.120 32.500 -0.092 0.000 0.716 2302 K HN 1.171 nan 8.250 nan 0.000 0.450 2303 A N 1.186 123.948 122.820 -0.096 0.000 1.873 2303 A HA -0.263 4.089 4.320 0.054 0.000 0.218 2303 A C 1.781 179.327 177.584 -0.063 0.000 1.193 2303 A CA 2.235 54.235 52.037 -0.063 0.000 0.629 2303 A CB -0.882 18.095 19.000 -0.039 0.000 0.826 2303 A HN 0.556 nan 8.150 nan 0.000 0.447 2304 N N -0.348 118.307 118.700 -0.074 0.000 2.216 2304 N HA 0.053 4.825 4.740 0.054 0.000 0.183 2304 N C 1.918 177.416 175.510 -0.021 0.000 1.017 2304 N CA 1.031 54.057 53.050 -0.039 0.000 0.861 2304 N CB -0.257 38.200 38.487 -0.051 0.000 0.986 2304 N HN 0.487 nan 8.380 nan 0.000 0.428 2305 A N 0.419 123.159 122.820 -0.132 0.000 1.908 2305 A HA -0.159 4.194 4.320 0.054 0.000 0.218 2305 A C 2.219 179.777 177.584 -0.043 0.000 1.181 2305 A CA 1.810 53.755 52.037 -0.153 0.000 0.627 2305 A CB -1.067 17.598 19.000 -0.560 0.000 0.818 2305 A HN 0.234 nan 8.150 nan 0.000 0.445 2306 T N 0.376 114.880 114.554 -0.084 0.000 2.708 2306 T HA -0.051 4.331 4.350 0.054 0.000 0.266 2306 T C 2.208 176.895 174.700 -0.022 0.000 1.037 2306 T CA 1.659 63.751 62.100 -0.015 0.000 1.146 2306 T CB -0.474 68.393 68.868 -0.002 0.000 0.865 2306 T HN 0.612 nan 8.240 nan 0.000 0.435 2307 A N 0.154 122.970 122.820 -0.007 0.000 1.972 2307 A HA -0.093 4.259 4.320 0.054 0.000 0.219 2307 A C 2.038 179.607 177.584 -0.024 0.000 1.169 2307 A CA 1.348 53.372 52.037 -0.022 0.000 0.635 2307 A CB -1.077 17.927 19.000 0.007 0.000 0.810 2307 A HN 0.706 nan 8.150 nan 0.000 0.446 2308 W N 0.414 121.641 121.300 -0.122 0.000 2.388 2308 W HA -0.093 4.599 4.660 0.054 0.000 0.294 2308 W C 1.713 178.132 176.519 -0.166 0.000 1.212 2308 W CA 1.719 59.002 57.345 -0.104 0.000 1.271 2308 W CB -0.152 29.277 29.460 -0.051 0.000 1.126 2308 W HN 0.253 nan 8.180 nan 0.000 0.535 2309 L N 0.418 121.616 121.223 -0.041 0.000 2.156 2309 L HA -0.172 4.201 4.340 0.054 0.000 0.208 2309 L C 2.465 178.887 176.870 -0.747 0.000 1.095 2309 L CA 1.289 55.949 54.840 -0.300 0.000 0.770 2309 L CB -0.752 41.244 42.059 -0.104 0.000 0.914 2309 L HN -0.117 nan 8.230 nan 0.000 0.439 2310 K N 0.114 120.012 120.400 -0.838 0.000 2.063 2310 K HA -0.218 4.134 4.320 0.054 0.000 0.208 2310 K C 1.617 177.945 176.600 -0.455 0.000 1.048 2310 K CA 1.909 57.744 56.287 -0.754 0.000 0.928 2310 K CB -0.163 32.097 32.500 -0.400 0.000 0.713 2310 K HN 0.227 nan 8.250 nan 0.000 0.442 2311 D N 0.308 120.454 120.400 -0.423 0.000 2.178 2311 D HA -0.066 4.606 4.640 0.054 0.000 0.202 2311 D C -0.182 175.839 176.300 -0.465 0.000 0.974 2311 D CA 0.964 54.730 54.000 -0.390 0.000 0.841 2311 D CB -0.000 40.570 40.800 -0.384 0.000 0.953 2311 D HN 0.141 nan 8.370 nan 0.000 0.478 2312 N N 0.026 118.340 118.700 -0.645 0.000 2.976 2312 N HA 0.203 4.976 4.740 0.054 0.000 0.255 2312 N C -2.181 173.115 175.510 -0.357 0.000 1.312 2312 N CA -1.092 51.610 53.050 -0.579 0.000 0.897 2312 N CB 1.710 39.601 38.487 -0.994 0.000 1.184 2312 N HN -0.031 nan 8.380 nan 0.000 0.497 2313 P HA -0.108 nan 4.420 nan 0.000 0.221 2313 P C 0.879 178.155 177.300 -0.040 0.000 1.150 2313 P CA 1.010 64.053 63.100 -0.096 0.000 0.800 2313 P CB 0.456 32.120 31.700 -0.060 0.000 0.787 2314 E N -0.563 119.599 120.200 -0.064 0.000 2.072 2314 E HA -0.091 4.291 4.350 0.054 0.000 0.191 2314 E C 1.729 178.333 176.600 0.006 0.000 0.985 2314 E CA 1.475 57.864 56.400 -0.020 0.000 0.801 2314 E CB -1.773 27.915 29.700 -0.021 0.000 0.750 2314 E HN 0.258 nan 8.360 nan 0.000 0.452 2315 T N 1.705 116.247 114.554 -0.020 0.000 2.857 2315 T HA 0.020 4.403 4.350 0.054 0.000 0.266 2315 T C 2.076 176.779 174.700 0.005 0.000 1.048 2315 T CA 1.298 63.416 62.100 0.029 0.000 1.139 2315 T CB -0.233 68.671 68.868 0.060 0.000 0.874 2315 T HN 0.309 nan 8.240 nan 0.000 0.455 2316 A N 2.341 125.163 122.820 0.003 0.000 1.883 2316 A HA -0.150 4.202 4.320 0.054 0.000 0.217 2316 A C 2.314 179.971 177.584 0.121 0.000 1.186 2316 A CA 1.282 53.377 52.037 0.097 0.000 0.624 2316 A CB -0.367 18.767 19.000 0.223 0.000 0.822 2316 A HN 0.206 nan 8.150 nan 0.000 0.444 2317 K N -0.197 120.264 120.400 0.100 0.000 2.063 2317 K HA -0.198 4.155 4.320 0.054 0.000 0.208 2317 K C 1.935 178.580 176.600 0.075 0.000 1.048 2317 K CA 1.662 58.001 56.287 0.087 0.000 0.928 2317 K CB -0.478 32.055 32.500 0.055 0.000 0.713 2317 K HN 0.795 nan 8.250 nan 0.000 0.442 2318 E N 0.663 120.904 120.200 0.070 0.000 2.051 2318 E HA -0.141 4.241 4.350 0.054 0.000 0.192 2318 E C 2.127 178.776 176.600 0.081 0.000 0.991 2318 E CA 0.933 57.383 56.400 0.083 0.000 0.799 2318 E CB -0.021 29.748 29.700 0.115 0.000 0.748 2318 E HN 0.229 nan 8.360 nan 0.000 0.449 2319 I N 0.985 121.582 120.570 0.045 0.000 2.226 2319 I HA -0.237 3.965 4.170 0.054 0.000 0.245 2319 I C 2.718 178.860 176.117 0.042 0.000 1.100 2319 I CA 1.181 62.495 61.300 0.023 0.000 1.374 2319 I CB -0.419 37.531 38.000 -0.084 0.000 1.057 2319 I HN 0.247 nan 8.210 nan 0.000 0.413 2320 E N 1.685 121.919 120.200 0.056 0.000 2.058 2320 E HA -0.313 4.069 4.350 0.054 0.000 0.194 2320 E C 2.245 178.880 176.600 0.058 0.000 0.997 2320 E CA 1.583 58.021 56.400 0.063 0.000 0.801 2320 E CB -0.019 29.760 29.700 0.132 0.000 0.746 2320 E HN 0.326 nan 8.360 nan 0.000 0.450 2321 K N 0.621 121.058 120.400 0.063 0.000 2.063 2321 K HA -0.218 4.135 4.320 0.054 0.000 0.208 2321 K C 2.121 178.750 176.600 0.050 0.000 1.048 2321 K CA 1.739 58.059 56.287 0.054 0.000 0.928 2321 K CB 0.035 32.567 32.500 0.053 0.000 0.713 2321 K HN -0.040 nan 8.250 nan 0.000 0.442 2322 K N -0.067 120.367 120.400 0.057 0.000 2.062 2322 K HA -0.064 4.289 4.320 0.054 0.000 0.205 2322 K C 1.962 178.591 176.600 0.047 0.000 1.051 2322 K CA 1.069 57.391 56.287 0.058 0.000 0.941 2322 K CB 0.077 32.624 32.500 0.079 0.000 0.719 2322 K HN -0.040 nan 8.250 nan 0.000 0.440 2323 V N 1.325 121.264 119.914 0.040 0.000 2.287 2323 V HA -0.281 3.871 4.120 0.054 0.000 0.248 2323 V C 2.187 178.295 176.094 0.023 0.000 1.053 2323 V CA 1.760 64.076 62.300 0.026 0.000 1.027 2323 V CB -0.430 31.396 31.823 0.005 0.000 0.646 2323 V HN 0.280 nan 8.190 nan 0.000 0.447 2324 R N -0.257 120.258 120.500 0.026 0.000 2.073 2324 R HA -0.187 4.185 4.340 0.054 0.000 0.234 2324 R C 2.351 178.666 176.300 0.026 0.000 1.134 2324 R CA 1.829 57.944 56.100 0.025 0.000 0.952 2324 R CB -0.350 29.968 30.300 0.030 0.000 0.850 2324 R HN 0.606 nan 8.270 nan 0.000 0.433 2325 E N 0.587 120.805 120.200 0.030 0.000 2.085 2325 E HA -0.205 4.177 4.350 0.054 0.000 0.194 2325 E C 2.016 178.633 176.600 0.029 0.000 0.994 2325 E CA 1.164 57.582 56.400 0.030 0.000 0.801 2325 E CB -0.095 29.624 29.700 0.033 0.000 0.743 2325 E HN 0.283 nan 8.360 nan 0.000 0.453 2326 L N -0.001 121.240 121.223 0.031 0.000 2.093 2326 L HA -0.137 4.236 4.340 0.054 0.000 0.208 2326 L C 2.046 178.933 176.870 0.028 0.000 1.085 2326 L CA 0.870 55.728 54.840 0.030 0.000 0.755 2326 L CB 0.028 42.106 42.059 0.033 0.000 0.904 2326 L HN 0.166 nan 8.230 nan 0.000 0.435 2327 L N -1.450 119.788 121.223 0.025 0.000 2.749 2327 L HA 0.195 4.567 4.340 0.054 0.000 0.242 2327 L C 0.386 177.269 176.870 0.022 0.000 1.103 2327 L CA -0.284 54.570 54.840 0.023 0.000 0.906 2327 L CB 0.543 42.614 42.059 0.019 0.000 1.228 2327 L HN 0.055 nan 8.230 nan 0.000 0.517 2328 L N 0.714 121.949 121.223 0.021 0.000 2.360 2328 L HA 0.081 4.454 4.340 0.054 0.000 0.276 2328 L C 1.499 178.382 176.870 0.023 0.000 1.121 2328 L CA -0.058 54.793 54.840 0.019 0.000 0.845 2328 L CB 1.499 43.568 42.059 0.017 0.000 1.143 2328 L HN 0.176 nan 8.230 nan 0.000 0.452 2329 S N 1.338 117.052 115.700 0.023 0.000 2.458 2329 S HA -0.001 4.502 4.470 0.054 0.000 0.223 2329 S C 0.635 175.254 174.600 0.031 0.000 1.019 2329 S CA 0.052 58.270 58.200 0.031 0.000 0.937 2329 S CB -0.051 63.171 63.200 0.036 0.000 0.788 2329 S HN 0.733 nan 8.310 nan 0.000 0.511 2330 N N 2.566 121.278 118.700 0.021 0.000 2.844 2330 N HA 0.470 5.243 4.740 0.054 0.000 0.268 2330 N C -3.210 172.309 175.510 0.015 0.000 1.574 2330 N CA -1.293 51.769 53.050 0.021 0.000 0.838 2330 N CB 1.328 39.822 38.487 0.012 0.000 1.177 2330 N HN 0.272 nan 8.380 nan 0.000 0.495 2331 P HA 0.053 nan 4.420 nan 0.000 0.271 2331 P C 0.188 177.495 177.300 0.012 0.000 1.218 2331 P CA -0.203 62.906 63.100 0.015 0.000 0.780 2331 P CB 0.954 32.665 31.700 0.017 0.000 0.901 2332 N N 0.036 118.742 118.700 0.009 0.000 2.271 2332 N HA 0.153 4.925 4.740 0.054 0.000 0.276 2332 N C 0.254 175.769 175.510 0.008 0.000 1.292 2332 N CA 0.095 53.149 53.050 0.007 0.000 0.934 2332 N CB 0.302 38.791 38.487 0.003 0.000 1.037 2332 N HN 0.540 nan 8.380 nan 0.000 0.483 3002 I N 1.401 121.970 120.570 -0.001 0.000 2.494 3002 I HA 0.009 4.212 4.170 0.054 0.000 0.250 3002 I C 1.820 177.936 176.117 -0.001 0.000 1.112 3002 I CA 1.512 62.812 61.300 -0.001 0.000 1.438 3002 I CB -0.181 37.818 38.000 -0.001 0.000 1.111 3002 I HN 0.428 nan 8.210 nan 0.000 0.431 3003 D N 0.623 121.021 120.400 -0.002 0.000 2.348 3003 D HA -0.104 4.568 4.640 0.054 0.000 0.211 3003 D C 1.617 177.915 176.300 -0.003 0.000 0.998 3003 D CA 0.587 54.585 54.000 -0.003 0.000 0.873 3003 D CB -0.273 40.524 40.800 -0.005 0.000 0.925 3003 D HN 0.333 nan 8.370 nan 0.000 0.524 3004 E N 0.079 120.278 120.200 -0.002 0.000 2.158 3004 E HA -0.012 4.370 4.350 0.054 0.000 0.191 3004 E C 1.643 178.243 176.600 -0.000 0.000 0.982 3004 E CA 0.386 56.786 56.400 -0.001 0.000 0.823 3004 E CB 0.005 29.705 29.700 -0.001 0.000 0.766 3004 E HN 0.164 nan 8.360 nan 0.000 0.468 3005 N N 0.896 119.596 118.700 0.000 0.000 2.244 3005 N HA -0.123 4.649 4.740 0.054 0.000 0.183 3005 N C 1.391 176.901 175.510 0.001 0.000 1.016 3005 N CA 0.942 53.993 53.050 0.001 0.000 0.866 3005 N CB 0.055 38.543 38.487 0.002 0.000 0.980 3005 N HN 0.150 nan 8.380 nan 0.000 0.430 3006 K N 0.968 121.368 120.400 0.000 0.000 2.026 3006 K HA -0.087 4.266 4.320 0.054 0.000 0.208 3006 K C 2.055 178.655 176.600 -0.000 0.000 1.048 3006 K CA 1.031 57.318 56.287 -0.000 0.000 0.929 3006 K CB -0.063 32.436 32.500 -0.002 0.000 0.713 3006 K HN 0.290 nan 8.250 nan 0.000 0.439 3007 Q N 0.698 120.498 119.800 -0.000 0.000 2.119 3007 Q HA -0.162 4.211 4.340 0.054 0.000 0.201 3007 Q C 2.114 178.114 176.000 0.001 0.000 0.972 3007 Q CA 1.174 56.977 55.803 0.000 0.000 0.847 3007 Q CB -0.047 28.691 28.738 -0.001 0.000 0.903 3007 Q HN 0.232 nan 8.270 nan 0.000 0.433 3008 K N 0.741 121.142 120.400 0.001 0.000 2.044 3008 K HA -0.192 4.160 4.320 0.054 0.000 0.210 3008 K C 1.913 178.515 176.600 0.003 0.000 1.049 3008 K CA 1.467 57.755 56.287 0.002 0.000 0.927 3008 K CB -0.130 32.371 32.500 0.002 0.000 0.713 3008 K HN 0.165 nan 8.250 nan 0.000 0.443 3009 A N 0.787 123.609 122.820 0.003 0.000 2.016 3009 A HA -0.022 4.330 4.320 0.054 0.000 0.217 3009 A C 1.958 179.545 177.584 0.005 0.000 1.162 3009 A CA 0.723 52.762 52.037 0.004 0.000 0.662 3009 A CB -0.364 18.638 19.000 0.004 0.000 0.812 3009 A HN 0.395 nan 8.150 nan 0.000 0.450 3010 L N -0.078 121.147 121.223 0.004 0.000 1.988 3010 L HA -0.023 4.349 4.340 0.054 0.000 0.207 3010 L C 2.670 179.544 176.870 0.008 0.000 1.071 3010 L CA 2.247 57.090 54.840 0.005 0.000 0.744 3010 L CB -0.677 41.384 42.059 0.003 0.000 0.893 3010 L HN 0.290 nan 8.230 nan 0.000 0.433 3011 A N -0.277 122.547 122.820 0.007 0.000 1.940 3011 A HA -0.190 4.162 4.320 0.054 0.000 0.219 3011 A C 2.447 180.036 177.584 0.009 0.000 1.176 3011 A CA 2.014 54.056 52.037 0.008 0.000 0.631 3011 A CB -1.312 17.692 19.000 0.005 0.000 0.814 3011 A HN 0.652 nan 8.150 nan 0.000 0.446 3012 A N -0.273 122.551 122.820 0.007 0.000 1.908 3012 A HA 0.115 4.467 4.320 0.054 0.000 0.218 3012 A C 2.494 180.085 177.584 0.011 0.000 1.181 3012 A CA 2.263 54.304 52.037 0.007 0.000 0.627 3012 A CB -0.944 18.060 19.000 0.006 0.000 0.818 3012 A HN 1.073 nan 8.150 nan 0.000 0.445 3013 A N -0.925 121.903 122.820 0.014 0.000 1.897 3013 A HA 0.116 4.468 4.320 0.054 0.000 0.215 3013 A C 2.032 179.634 177.584 0.030 0.000 1.181 3013 A CA 1.443 53.493 52.037 0.021 0.000 0.620 3013 A CB -0.525 18.487 19.000 0.020 0.000 0.821 3013 A HN 0.382 nan 8.150 nan 0.000 0.443 3014 L N 0.066 121.305 121.223 0.026 0.000 2.046 3014 L HA -0.087 4.285 4.340 0.054 0.000 0.208 3014 L C 2.730 179.619 176.870 0.033 0.000 1.077 3014 L CA 1.874 56.734 54.840 0.032 0.000 0.747 3014 L CB -0.912 41.162 42.059 0.024 0.000 0.896 3014 L HN 0.415 nan 8.230 nan 0.000 0.432 3015 G N -1.353 107.459 108.800 0.021 0.000 2.421 3015 G HA2 -0.355 3.638 3.960 0.054 0.000 0.216 3015 G HA3 -0.355 3.638 3.960 0.054 0.000 0.216 3015 G C 1.496 176.402 174.900 0.009 0.000 1.171 3015 G CA 0.900 46.008 45.100 0.014 0.000 0.775 3015 G HN 0.431 nan 8.290 nan 0.000 0.543 3016 Q N 0.635 120.440 119.800 0.009 0.000 2.096 3016 Q HA -0.069 4.303 4.340 0.054 0.000 0.204 3016 Q C 2.312 178.312 176.000 -0.000 0.000 0.982 3016 Q CA 1.584 57.386 55.803 -0.003 0.000 0.850 3016 Q CB -0.492 28.248 28.738 0.004 0.000 0.901 3016 Q HN 0.539 nan 8.270 nan 0.000 0.422 3017 I N 0.383 120.988 120.570 0.058 0.000 2.179 3017 I HA -0.234 3.969 4.170 0.054 0.000 0.242 3017 I C 2.331 178.533 176.117 0.141 0.000 1.088 3017 I CA 1.622 63.014 61.300 0.154 0.000 1.357 3017 I CB -0.355 37.751 38.000 0.178 0.000 1.051 3017 I HN 0.334 nan 8.210 nan 0.000 0.409 3018 E N 0.621 120.871 120.200 0.083 0.000 2.106 3018 E HA -0.234 4.148 4.350 0.054 0.000 0.192 3018 E C 2.090 178.703 176.600 0.021 0.000 0.984 3018 E CA 0.848 57.290 56.400 0.070 0.000 0.806 3018 E CB -0.063 29.666 29.700 0.049 0.000 0.750 3018 E HN 0.380 nan 8.360 nan 0.000 0.458 3019 K N 0.676 121.066 120.400 -0.017 0.000 2.217 3019 K HA -0.116 4.236 4.320 0.054 0.000 0.202 3019 K C 2.082 178.608 176.600 -0.123 0.000 1.051 3019 K CA 0.807 57.062 56.287 -0.052 0.000 0.952 3019 K CB 0.204 32.675 32.500 -0.048 0.000 0.736 3019 K HN 0.094 nan 8.250 nan 0.000 0.453 3020 Q N -1.133 118.534 119.800 -0.221 0.000 2.165 3020 Q HA -0.016 4.357 4.340 0.054 0.000 0.197 3020 Q C 0.479 176.107 176.000 -0.620 0.000 0.952 3020 Q CA 0.913 56.398 55.803 -0.530 0.000 0.848 3020 Q CB 0.392 28.602 28.738 -0.879 0.000 0.931 3020 Q HN 0.222 nan 8.270 nan 0.000 0.470 3021 F N -0.331 119.624 119.950 0.009 0.000 2.735 3021 F HA 0.379 4.938 4.527 0.054 0.000 0.304 3021 F C 0.750 176.558 175.800 0.014 0.000 1.119 3021 F CA 0.223 58.230 58.000 0.012 0.000 1.280 3021 F CB 0.972 39.980 39.000 0.013 0.000 0.994 3021 F HN 0.035 nan 8.300 nan 0.000 0.520 3022 G N 0.427 109.295 108.800 0.113 0.000 2.710 3022 G HA2 -0.203 3.789 3.960 0.054 0.000 0.668 3022 G HA3 -0.203 3.789 3.960 0.054 0.000 0.668 3022 G C 0.776 175.720 174.900 0.073 0.000 1.320 3022 G CA -0.603 44.545 45.100 0.080 0.000 0.860 3022 G HN -0.008 nan 8.290 nan 0.000 0.538 3023 K N 0.097 120.530 120.400 0.054 0.000 1.976 3023 K HA -0.187 4.166 4.320 0.054 0.000 0.233 3023 K C 1.966 178.596 176.600 0.049 0.000 1.012 3023 K CA 2.171 58.484 56.287 0.043 0.000 1.049 3023 K CB -0.953 31.569 32.500 0.037 0.000 0.722 3023 K HN 1.507 nan 8.250 nan 0.000 0.465 3024 G N 0.974 109.805 108.800 0.052 0.000 4.637 3024 G HA2 0.204 4.196 3.960 0.054 0.000 0.308 3024 G HA3 0.204 4.196 3.960 0.054 0.000 0.308 3024 G C 0.878 175.813 174.900 0.057 0.000 1.377 3024 G CA 0.094 45.223 45.100 0.049 0.000 1.176 3024 G HN 0.323 nan 8.290 nan 0.000 0.601 3025 S N -0.069 115.677 115.700 0.076 0.000 2.423 3025 S HA 0.116 4.618 4.470 0.054 0.000 0.231 3025 S C 0.805 175.435 174.600 0.050 0.000 1.014 3025 S CA 0.326 58.573 58.200 0.079 0.000 0.965 3025 S CB 0.333 63.620 63.200 0.145 0.000 0.785 3025 S HN 0.445 nan 8.310 nan 0.000 0.495 3026 I N 1.310 121.912 120.570 0.053 0.000 2.569 3026 I HA 0.595 4.798 4.170 0.054 0.000 0.290 3026 I C -1.256 174.881 176.117 0.033 0.000 1.088 3026 I CA -1.295 60.027 61.300 0.037 0.000 1.047 3026 I CB 1.897 39.919 38.000 0.037 0.000 1.237 3026 I HN 0.377 nan 8.210 nan 0.000 0.421 3027 M N 4.369 123.985 119.600 0.026 0.000 2.880 3027 M HA 0.589 5.101 4.480 0.054 0.000 0.269 3027 M C -1.265 175.045 176.300 0.016 0.000 1.248 3027 M CA -1.086 54.226 55.300 0.021 0.000 0.821 3027 M CB 1.470 34.082 32.600 0.021 0.000 1.650 3027 M HN 0.297 nan 8.290 nan 0.000 0.479 3028 R N 1.127 121.633 120.500 0.010 0.000 2.442 3028 R HA 0.302 4.675 4.340 0.054 0.000 0.291 3028 R C 0.961 177.260 176.300 -0.001 0.000 1.069 3028 R CA -0.170 55.932 56.100 0.004 0.000 1.022 3028 R CB 0.373 30.673 30.300 -0.000 0.000 0.976 3028 R HN 0.706 nan 8.270 nan 0.000 0.443 3029 L N 2.293 123.510 121.223 -0.010 0.000 2.043 3029 L HA -0.183 4.189 4.340 0.054 0.000 0.212 3029 L C 1.790 178.648 176.870 -0.020 0.000 1.075 3029 L CA 2.196 57.023 54.840 -0.022 0.000 0.752 3029 L CB -0.498 41.531 42.059 -0.050 0.000 0.891 3029 L HN 0.993 nan 8.230 nan 0.000 0.432 3030 G N -0.311 108.477 108.800 -0.020 0.000 2.470 3030 G HA2 -0.258 3.734 3.960 0.054 0.000 0.220 3030 G HA3 -0.258 3.734 3.960 0.054 0.000 0.220 3030 G C 1.183 176.078 174.900 -0.009 0.000 1.121 3030 G CA 0.862 45.952 45.100 -0.017 0.000 0.766 3030 G HN 0.725 nan 8.290 nan 0.000 0.553 3031 E N -0.308 119.889 120.200 -0.005 0.000 2.498 3031 E HA 0.089 4.471 4.350 0.054 0.000 0.203 3031 E C -0.314 176.288 176.600 0.004 0.000 1.013 3031 E CA -0.443 55.957 56.400 0.000 0.000 0.927 3031 E CB 0.243 29.944 29.700 0.002 0.000 1.012 3031 E HN 0.135 nan 8.360 nan 0.000 0.482 3032 D N 1.791 122.193 120.400 0.004 0.000 2.344 3032 D HA 0.045 4.717 4.640 0.054 0.000 0.253 3032 D C 0.722 177.028 176.300 0.010 0.000 1.255 3032 D CA -0.143 53.863 54.000 0.010 0.000 0.894 3032 D CB 0.807 41.613 40.800 0.011 0.000 1.067 3032 D HN -0.061 nan 8.370 nan 0.000 0.492 3033 R N 1.692 122.200 120.500 0.013 0.000 2.090 3033 R HA -0.076 4.297 4.340 0.054 0.000 0.228 3033 R C 1.907 178.217 176.300 0.017 0.000 1.110 3033 R CA 0.747 56.855 56.100 0.012 0.000 0.973 3033 R CB -0.893 29.415 30.300 0.012 0.000 0.869 3033 R HN 0.486 nan 8.270 nan 0.000 0.440 3034 S N -0.382 115.332 115.700 0.023 0.000 2.595 3034 S HA -0.062 4.440 4.470 0.054 0.000 0.235 3034 S C 1.653 176.274 174.600 0.035 0.000 0.974 3034 S CA 0.607 58.825 58.200 0.031 0.000 0.942 3034 S CB -0.036 63.189 63.200 0.041 0.000 0.766 3034 S HN 0.088 nan 8.310 nan 0.000 0.536 3035 M N 1.652 121.267 119.600 0.025 0.000 2.465 3035 M HA 0.293 4.805 4.480 0.054 0.000 0.249 3035 M C -0.646 175.663 176.300 0.015 0.000 1.130 3035 M CA 0.135 55.448 55.300 0.022 0.000 1.067 3035 M CB 0.188 32.793 32.600 0.008 0.000 1.394 3035 M HN 0.030 nan 8.290 nan 0.000 0.483 3036 D N 0.754 121.162 120.400 0.013 0.000 2.424 3036 D HA 0.087 4.760 4.640 0.054 0.000 0.244 3036 D C -0.468 175.839 176.300 0.011 0.000 1.134 3036 D CA 0.177 54.183 54.000 0.010 0.000 0.881 3036 D CB 1.113 41.919 40.800 0.009 0.000 1.191 3036 D HN -0.110 nan 8.370 nan 0.000 0.445 3037 V N 2.760 122.679 119.914 0.009 0.000 2.432 3037 V HA 0.111 4.263 4.120 0.054 0.000 0.271 3037 V C 0.563 176.658 176.094 0.003 0.000 1.046 3037 V CA -0.136 62.167 62.300 0.006 0.000 0.945 3037 V CB 0.984 32.807 31.823 0.000 0.000 0.992 3037 V HN 0.432 nan 8.190 nan 0.000 0.471 3038 E N 3.683 123.885 120.200 0.002 0.000 2.199 3038 E HA 0.599 4.981 4.350 0.054 0.000 0.269 3038 E C -0.605 175.992 176.600 -0.005 0.000 0.899 3038 E CA -0.487 55.913 56.400 -0.001 0.000 0.772 3038 E CB 2.172 31.872 29.700 0.001 0.000 1.155 3038 E HN 0.791 nan 8.360 nan 0.000 0.408 3039 T N 1.137 115.686 114.554 -0.008 0.000 2.942 3039 T HA 0.619 5.001 4.350 0.054 0.000 0.289 3039 T C -0.219 174.472 174.700 -0.015 0.000 1.044 3039 T CA -0.860 61.233 62.100 -0.012 0.000 1.023 3039 T CB 1.094 69.954 68.868 -0.013 0.000 1.123 3039 T HN 0.279 nan 8.240 nan 0.000 0.512 3040 I N 1.761 122.320 120.570 -0.019 0.000 2.509 3040 I HA 0.416 4.618 4.170 0.054 0.000 0.293 3040 I C 0.735 176.836 176.117 -0.027 0.000 1.020 3040 I CA -0.715 60.570 61.300 -0.024 0.000 1.088 3040 I CB 1.801 39.785 38.000 -0.026 0.000 1.267 3040 I HN 0.958 nan 8.210 nan 0.000 0.430 3041 S N 2.854 118.535 115.700 -0.033 0.000 2.568 3041 S HA 0.064 4.566 4.470 0.054 0.000 0.282 3041 S C 1.347 175.921 174.600 -0.044 0.000 1.338 3041 S CA 0.367 58.546 58.200 -0.036 0.000 1.045 3041 S CB 0.434 63.606 63.200 -0.046 0.000 0.873 3041 S HN 0.795 nan 8.310 nan 0.000 0.516 3042 T N 1.406 115.933 114.554 -0.045 0.000 3.081 3042 T HA 0.357 4.739 4.350 0.054 0.000 0.255 3042 T C 1.522 176.171 174.700 -0.086 0.000 1.113 3042 T CA 0.657 62.724 62.100 -0.056 0.000 1.082 3042 T CB -0.312 68.525 68.868 -0.053 0.000 0.939 3042 T HN 1.611 nan 8.240 nan 0.000 0.506 3043 G N 0.819 109.567 108.800 -0.088 0.000 2.234 3043 G HA2 -0.236 3.756 3.960 0.054 0.000 0.235 3043 G HA3 -0.236 3.756 3.960 0.054 0.000 0.235 3043 G C 0.240 175.081 174.900 -0.099 0.000 0.997 3043 G CA 0.181 45.215 45.100 -0.110 0.000 0.623 3043 G HN 1.048 nan 8.290 nan 0.000 0.514 3044 S N 0.052 115.643 115.700 -0.183 0.000 2.437 3044 S HA 0.630 5.132 4.470 0.054 0.000 0.305 3044 S C 1.234 175.773 174.600 -0.102 0.000 1.109 3044 S CA 0.102 58.134 58.200 -0.279 0.000 1.099 3044 S CB 1.520 64.304 63.200 -0.695 0.000 1.004 3044 S HN 1.032 nan 8.310 nan 0.000 0.475 3045 L N 5.840 127.013 121.223 -0.083 0.000 2.027 3045 L HA 0.028 4.400 4.340 0.054 0.000 0.206 3045 L C 2.561 179.399 176.870 -0.053 0.000 1.074 3045 L CA 2.690 57.493 54.840 -0.061 0.000 0.745 3045 L CB -1.007 40.920 42.059 -0.219 0.000 0.898 3045 L HN 0.896 nan 8.230 nan 0.000 0.433 3046 S N -1.067 114.600 115.700 -0.054 0.000 2.423 3046 S HA -0.189 4.313 4.470 0.054 0.000 0.231 3046 S C 2.097 176.723 174.600 0.044 0.000 1.014 3046 S CA 1.320 59.528 58.200 0.013 0.000 0.965 3046 S CB -0.958 62.279 63.200 0.061 0.000 0.785 3046 S HN 0.513 nan 8.310 nan 0.000 0.495 3047 L N 1.389 122.636 121.223 0.040 0.000 2.044 3047 L HA -0.095 4.278 4.340 0.054 0.000 0.205 3047 L C 1.974 178.851 176.870 0.011 0.000 1.075 3047 L CA 1.912 56.781 54.840 0.048 0.000 0.747 3047 L CB -0.609 41.473 42.059 0.038 0.000 0.903 3047 L HN 0.236 nan 8.230 nan 0.000 0.435 3048 D N 0.120 120.516 120.400 -0.006 0.000 2.182 3048 D HA -0.201 4.472 4.640 0.054 0.000 0.201 3048 D C 2.136 178.436 176.300 -0.000 0.000 0.986 3048 D CA 1.351 55.347 54.000 -0.006 0.000 0.847 3048 D CB -0.051 40.748 40.800 -0.001 0.000 0.942 3048 D HN 0.397 nan 8.370 nan 0.000 0.467 3049 I N 0.947 121.520 120.570 0.005 0.000 2.233 3049 I HA -0.194 4.008 4.170 0.054 0.000 0.243 3049 I C 2.513 178.637 176.117 0.011 0.000 1.093 3049 I CA 0.931 62.236 61.300 0.009 0.000 1.380 3049 I CB -0.242 37.764 38.000 0.011 0.000 1.067 3049 I HN -0.095 nan 8.210 nan 0.000 0.413 3050 A N 0.831 123.661 122.820 0.017 0.000 1.940 3050 A HA -0.182 4.170 4.320 0.054 0.000 0.219 3050 A C 2.263 179.841 177.584 -0.009 0.000 1.176 3050 A CA 1.520 53.566 52.037 0.015 0.000 0.631 3050 A CB -0.983 18.034 19.000 0.030 0.000 0.814 3050 A HN 0.421 nan 8.150 nan 0.000 0.446 3051 L N -1.521 119.693 121.223 -0.015 0.000 2.456 3051 L HA 0.011 4.383 4.340 0.054 0.000 0.224 3051 L C 2.162 179.007 176.870 -0.043 0.000 1.148 3051 L CA 0.677 55.494 54.840 -0.038 0.000 0.825 3051 L CB -0.364 41.676 42.059 -0.031 0.000 0.937 3051 L HN 0.663 nan 8.230 nan 0.000 0.450 3052 G N -0.285 108.501 108.800 -0.024 0.000 2.708 3052 G HA2 -0.436 3.557 3.960 0.054 0.000 0.229 3052 G HA3 -0.436 3.557 3.960 0.054 0.000 0.229 3052 G C 1.021 175.914 174.900 -0.012 0.000 1.236 3052 G CA 0.446 45.535 45.100 -0.018 0.000 0.749 3052 G HN 0.466 nan 8.290 nan 0.000 0.515 3053 A N 0.617 123.424 122.820 -0.022 0.000 2.275 3053 A HA 0.586 4.938 4.320 0.054 0.000 0.212 3053 A C 2.421 179.999 177.584 -0.009 0.000 1.201 3053 A CA 1.739 53.767 52.037 -0.015 0.000 0.843 3053 A CB -0.524 18.463 19.000 -0.023 0.000 0.873 3053 A HN 2.620 nan 8.150 nan 0.000 0.492 3054 G N -2.591 106.204 108.800 -0.009 0.000 2.141 3054 G HA2 0.276 4.268 3.960 0.054 0.000 0.242 3054 G HA3 0.276 4.268 3.960 0.054 0.000 0.242 3054 G C 0.869 175.764 174.900 -0.009 0.000 0.982 3054 G CA 0.349 45.446 45.100 -0.004 0.000 0.662 3054 G HN 2.189 nan 8.290 nan 0.000 0.527 3055 G N -1.599 107.192 108.800 -0.015 0.000 2.341 3055 G HA2 0.507 4.500 3.960 0.054 0.000 0.293 3055 G HA3 0.507 4.500 3.960 0.054 0.000 0.293 3055 G C -0.678 174.208 174.900 -0.022 0.000 1.298 3055 G CA -0.495 44.594 45.100 -0.019 0.000 0.868 3055 G HN 0.885 nan 8.290 nan 0.000 0.540 3056 L N 1.802 123.012 121.223 -0.022 0.000 2.397 3056 L HA 0.420 4.793 4.340 0.054 0.000 0.271 3056 L C -1.791 175.069 176.870 -0.018 0.000 1.148 3056 L CA -1.584 53.243 54.840 -0.021 0.000 0.825 3056 L CB 1.268 43.316 42.059 -0.019 0.000 1.117 3056 L HN 0.313 nan 8.230 nan 0.000 0.456 3057 P HA 0.201 nan 4.420 nan 0.000 0.290 3057 P C -0.814 176.484 177.300 -0.003 0.000 1.276 3057 P CA -0.600 62.495 63.100 -0.009 0.000 0.808 3057 P CB 0.990 32.684 31.700 -0.009 0.000 0.966 3058 M N 1.776 121.374 119.600 -0.002 0.000 2.238 3058 M HA 0.249 4.761 4.480 0.054 0.000 0.347 3058 M C 1.561 177.867 176.300 0.010 0.000 1.173 3058 M CA 0.716 56.016 55.300 -0.001 0.000 1.147 3058 M CB -0.556 32.043 32.600 -0.002 0.000 1.547 3058 M HN 0.844 nan 8.290 nan 0.000 0.455 3059 G N 2.387 111.192 108.800 0.008 0.000 2.148 3059 G HA2 -0.202 3.790 3.960 0.054 0.000 0.254 3059 G HA3 -0.202 3.790 3.960 0.054 0.000 0.254 3059 G C 0.176 175.097 174.900 0.035 0.000 0.981 3059 G CA -0.066 45.045 45.100 0.019 0.000 0.670 3059 G HN 0.545 nan 8.290 nan 0.000 0.528 3060 R N -0.676 119.843 120.500 0.033 0.000 2.902 3060 R HA 0.773 5.146 4.340 0.054 0.000 0.258 3060 R C 0.229 176.564 176.300 0.059 0.000 1.071 3060 R CA -1.184 54.950 56.100 0.056 0.000 1.024 3060 R CB 0.797 31.124 30.300 0.045 0.000 1.184 3060 R HN 0.221 nan 8.270 nan 0.000 0.492 3061 I N 0.707 121.340 120.570 0.105 0.000 2.392 3061 I HA 0.359 4.561 4.170 0.054 0.000 0.295 3061 I C -0.235 175.959 176.117 0.129 0.000 0.985 3061 I CA -0.819 60.567 61.300 0.143 0.000 1.221 3061 I CB 1.728 39.873 38.000 0.242 0.000 1.366 3061 I HN -0.036 nan 8.210 nan 0.000 0.467 3062 V N 5.324 125.312 119.914 0.124 0.000 2.789 3062 V HA 0.390 4.542 4.120 0.054 0.000 0.311 3062 V C -0.508 175.677 176.094 0.151 0.000 1.073 3062 V CA -0.651 61.707 62.300 0.096 0.000 0.921 3062 V CB 2.151 33.995 31.823 0.036 0.000 1.009 3062 V HN 0.741 nan 8.190 nan 0.000 0.426 3063 E N 3.695 123.975 120.200 0.133 0.000 2.210 3063 E HA 0.647 5.029 4.350 0.054 0.000 0.266 3063 E C -1.645 175.014 176.600 0.098 0.000 0.883 3063 E CA -0.626 55.873 56.400 0.166 0.000 0.761 3063 E CB 1.768 31.581 29.700 0.188 0.000 1.156 3063 E HN 0.631 nan 8.360 nan 0.000 0.412 3064 I N 5.401 126.028 120.570 0.095 0.000 2.389 3064 I HA 0.333 4.535 4.170 0.054 0.000 0.288 3064 I C -0.856 175.318 176.117 0.095 0.000 0.999 3064 I CA -0.901 60.411 61.300 0.021 0.000 1.129 3064 I CB 0.776 38.793 38.000 0.029 0.000 1.288 3064 I HN 0.469 nan 8.210 nan 0.000 0.444 3065 Y N 4.099 124.431 120.300 0.053 0.000 2.605 3065 Y HA 1.016 5.598 4.550 0.054 0.000 0.343 3065 Y C -0.124 175.822 175.900 0.076 0.000 1.036 3065 Y CA -1.363 56.766 58.100 0.049 0.000 1.065 3065 Y CB 1.786 40.257 38.460 0.020 0.000 1.288 3065 Y HN 0.692 nan 8.280 nan 0.000 0.481 3066 G N 0.357 109.381 108.800 0.374 0.000 2.316 3066 G HA2 0.433 4.425 3.960 0.054 0.000 0.296 3066 G HA3 0.433 4.425 3.960 0.054 0.000 0.296 3066 G C -3.562 171.567 174.900 0.381 0.000 1.399 3066 G CA -1.280 44.000 45.100 0.301 0.000 0.833 3066 G HN 0.513 nan 8.290 nan 0.000 0.565 3067 P HA 0.321 nan 4.420 nan 0.000 0.274 3067 P C -0.285 177.054 177.300 0.065 0.000 1.260 3067 P CA -0.304 62.948 63.100 0.253 0.000 0.793 3067 P CB 0.261 32.013 31.700 0.086 0.000 1.048 3068 E N -0.667 119.173 120.200 -0.600 0.000 2.413 3068 E HA 0.178 4.560 4.350 0.054 0.000 0.263 3068 E C 0.098 176.596 176.600 -0.169 0.000 1.015 3068 E CA -0.158 55.888 56.400 -0.589 0.000 0.916 3068 E CB -0.684 28.475 29.700 -0.901 0.000 0.947 3068 E HN 0.277 nan 8.360 nan 0.000 0.440 3069 S N 0.564 116.229 115.700 -0.058 0.000 3.533 3069 S HA -0.224 4.278 4.470 0.054 0.000 0.347 3069 S C 0.965 175.606 174.600 0.068 0.000 1.101 3069 S CA 0.968 59.170 58.200 0.003 0.000 1.009 3069 S CB -1.753 61.423 63.200 -0.040 0.000 0.916 3069 S HN 0.728 nan 8.310 nan 0.000 0.496 3070 S N -0.351 115.401 115.700 0.087 0.000 2.478 3070 S HA 0.435 4.937 4.470 0.054 0.000 0.222 3070 S C 1.547 176.220 174.600 0.122 0.000 1.008 3070 S CA 0.805 59.065 58.200 0.099 0.000 0.928 3070 S CB 0.516 63.775 63.200 0.100 0.000 0.781 3070 S HN 1.932 nan 8.310 nan 0.000 0.518 3071 G N 1.151 110.038 108.800 0.144 0.000 2.155 3071 G HA2 -0.157 3.835 3.960 0.054 0.000 0.130 3071 G HA3 -0.157 3.835 3.960 0.054 0.000 0.130 3071 G C 0.597 175.599 174.900 0.170 0.000 1.027 3071 G CA 0.076 45.282 45.100 0.177 0.000 0.705 3071 G HN 0.418 nan 8.290 nan 0.000 0.496 3072 K N 0.061 120.552 120.400 0.152 0.000 1.991 3072 K HA -0.078 4.275 4.320 0.054 0.000 0.212 3072 K C 2.569 179.260 176.600 0.152 0.000 1.049 3072 K CA 2.048 58.419 56.287 0.141 0.000 0.932 3072 K CB -0.426 32.158 32.500 0.140 0.000 0.717 3072 K HN 0.298 nan 8.250 nan 0.000 0.441 3073 T N 0.894 115.551 114.554 0.171 0.000 2.652 3073 T HA -0.155 4.227 4.350 0.054 0.000 0.267 3073 T C 2.058 176.873 174.700 0.192 0.000 1.039 3073 T CA 1.929 64.155 62.100 0.210 0.000 1.153 3073 T CB -0.591 68.404 68.868 0.212 0.000 0.863 3073 T HN 0.268 nan 8.240 nan 0.000 0.428 3074 T N 2.337 117.008 114.554 0.196 0.000 2.624 3074 T HA -0.112 4.271 4.350 0.054 0.000 0.268 3074 T C 1.934 176.711 174.700 0.128 0.000 1.041 3074 T CA 1.396 63.611 62.100 0.191 0.000 1.159 3074 T CB -0.645 68.373 68.868 0.250 0.000 0.863 3074 T HN 0.206 nan 8.240 nan 0.000 0.434 3075 L N 0.294 121.600 121.223 0.138 0.000 1.989 3075 L HA -0.177 4.196 4.340 0.054 0.000 0.211 3075 L C 2.710 179.620 176.870 0.066 0.000 1.071 3075 L CA 1.789 56.686 54.840 0.094 0.000 0.749 3075 L CB -0.882 41.252 42.059 0.126 0.000 0.890 3075 L HN 0.248 nan 8.230 nan 0.000 0.431 3076 T N 0.154 114.766 114.554 0.097 0.000 2.620 3076 T HA -0.295 4.088 4.350 0.054 0.000 0.267 3076 T C 1.801 176.563 174.700 0.103 0.000 1.044 3076 T CA 2.331 64.495 62.100 0.106 0.000 1.161 3076 T CB -0.413 68.555 68.868 0.166 0.000 0.862 3076 T HN 0.311 nan 8.240 nan 0.000 0.438 3077 L N 0.721 122.007 121.223 0.104 0.000 2.083 3077 L HA -0.130 4.242 4.340 0.054 0.000 0.209 3077 L C 3.024 179.886 176.870 -0.014 0.000 1.083 3077 L CA 1.103 55.964 54.840 0.034 0.000 0.752 3077 L CB -0.551 41.495 42.059 -0.021 0.000 0.899 3077 L HN 0.250 nan 8.230 nan 0.000 0.433 3078 Q N -0.327 119.463 119.800 -0.018 0.000 2.084 3078 Q HA -0.189 4.183 4.340 0.054 0.000 0.202 3078 Q C 2.470 178.436 176.000 -0.056 0.000 0.978 3078 Q CA 1.972 57.742 55.803 -0.054 0.000 0.844 3078 Q CB -0.664 28.035 28.738 -0.064 0.000 0.898 3078 Q HN 0.585 nan 8.270 nan 0.000 0.426 3079 V N -0.746 119.149 119.914 -0.031 0.000 2.358 3079 V HA -0.197 3.955 4.120 0.054 0.000 0.246 3079 V C 2.114 178.191 176.094 -0.029 0.000 1.047 3079 V CA 1.194 63.474 62.300 -0.034 0.000 1.035 3079 V CB -0.535 31.275 31.823 -0.022 0.000 0.658 3079 V HN 0.216 nan 8.190 nan 0.000 0.452 3080 I N 1.199 121.764 120.570 -0.009 0.000 2.127 3080 I HA -0.215 3.988 4.170 0.054 0.000 0.241 3080 I C 3.021 179.118 176.117 -0.034 0.000 1.075 3080 I CA 1.945 63.241 61.300 -0.007 0.000 1.334 3080 I CB -0.863 37.152 38.000 0.026 0.000 1.040 3080 I HN 0.436 nan 8.210 nan 0.000 0.405 3081 A N 0.777 123.566 122.820 -0.051 0.000 1.892 3081 A HA -0.290 4.062 4.320 0.054 0.000 0.218 3081 A C 2.530 180.067 177.584 -0.078 0.000 1.188 3081 A CA 2.412 54.406 52.037 -0.072 0.000 0.631 3081 A CB -1.079 17.866 19.000 -0.091 0.000 0.822 3081 A HN 0.481 nan 8.150 nan 0.000 0.447 3082 A N -0.489 122.280 122.820 -0.085 0.000 1.902 3082 A HA 0.160 4.512 4.320 0.054 0.000 0.217 3082 A C 2.514 180.055 177.584 -0.071 0.000 1.181 3082 A CA 2.216 54.197 52.037 -0.094 0.000 0.623 3082 A CB -1.008 17.932 19.000 -0.100 0.000 0.818 3082 A HN 1.144 nan 8.150 nan 0.000 0.443 3083 A N -0.827 121.961 122.820 -0.054 0.000 1.898 3083 A HA -0.187 4.165 4.320 0.054 0.000 0.216 3083 A C 2.122 179.682 177.584 -0.040 0.000 1.181 3083 A CA 1.575 53.587 52.037 -0.042 0.000 0.620 3083 A CB -0.529 18.451 19.000 -0.032 0.000 0.819 3083 A HN 0.646 nan 8.150 nan 0.000 0.442 3084 Q N -1.189 118.587 119.800 -0.041 0.000 2.119 3084 Q HA -0.148 4.225 4.340 0.054 0.000 0.201 3084 Q C 2.226 178.199 176.000 -0.044 0.000 0.972 3084 Q CA 1.341 57.120 55.803 -0.039 0.000 0.847 3084 Q CB -0.137 28.577 28.738 -0.040 0.000 0.903 3084 Q HN 0.539 nan 8.270 nan 0.000 0.433 3085 R N 1.089 121.555 120.500 -0.056 0.000 2.249 3085 R HA -0.129 4.243 4.340 0.054 0.000 0.230 3085 R C 0.442 176.711 176.300 -0.052 0.000 1.121 3085 R CA 1.070 57.133 56.100 -0.061 0.000 0.997 3085 R CB 0.199 30.450 30.300 -0.082 0.000 0.867 3085 R HN 0.249 nan 8.270 nan 0.000 0.465 3086 E N -1.684 118.489 120.200 -0.046 0.000 2.685 3086 E HA 0.198 4.581 4.350 0.054 0.000 0.208 3086 E C 0.129 176.712 176.600 -0.029 0.000 0.996 3086 E CA 0.269 56.647 56.400 -0.037 0.000 1.054 3086 E CB 1.139 30.816 29.700 -0.037 0.000 1.075 3086 E HN 0.388 nan 8.360 nan 0.000 0.460 3087 G N 2.249 111.031 108.800 -0.029 0.000 2.160 3087 G HA2 -0.323 3.669 3.960 0.054 0.000 0.251 3087 G HA3 -0.323 3.669 3.960 0.054 0.000 0.251 3087 G C 0.065 174.953 174.900 -0.020 0.000 1.008 3087 G CA 0.285 45.371 45.100 -0.023 0.000 0.724 3087 G HN 0.154 nan 8.290 nan 0.000 0.514 3088 K N 0.448 120.834 120.400 -0.022 0.000 2.118 3088 K HA 0.505 4.857 4.320 0.054 0.000 0.267 3088 K C 0.134 176.723 176.600 -0.018 0.000 0.991 3088 K CA -0.294 55.981 56.287 -0.019 0.000 0.916 3088 K CB 1.015 33.502 32.500 -0.021 0.000 1.041 3088 K HN 0.117 nan 8.250 nan 0.000 0.455 3089 T N 1.765 116.310 114.554 -0.014 0.000 2.806 3089 T HA 0.288 4.670 4.350 0.054 0.000 0.290 3089 T C -0.267 174.427 174.700 -0.011 0.000 0.966 3089 T CA -0.506 61.587 62.100 -0.011 0.000 1.060 3089 T CB 0.251 69.113 68.868 -0.009 0.000 0.927 3089 T HN 0.532 nan 8.240 nan 0.000 0.485 3090 C N 2.392 121.690 119.300 -0.005 0.000 2.634 3090 C HA 0.944 5.436 4.460 0.054 0.000 0.313 3090 C C 0.356 175.356 174.990 0.017 0.000 1.198 3090 C CA -1.005 58.014 59.018 0.003 0.000 1.605 3090 C CB 0.900 28.647 27.740 0.012 0.000 2.196 3090 C HN 1.049 nan 8.230 nan 0.000 0.486 3091 A N 1.418 124.247 122.820 0.015 0.000 2.386 3091 A HA 0.865 5.218 4.320 0.054 0.000 0.311 3091 A C -1.396 176.225 177.584 0.062 0.000 1.068 3091 A CA -0.265 51.788 52.037 0.028 0.000 0.743 3091 A CB 0.951 19.942 19.000 -0.015 0.000 1.258 3091 A HN 0.835 nan 8.150 nan 0.000 0.429 3092 F N 3.505 123.416 119.950 -0.064 0.000 2.460 3092 F HA 0.563 5.122 4.527 0.054 0.000 0.341 3092 F C -0.701 175.051 175.800 -0.080 0.000 1.130 3092 F CA -0.881 57.077 58.000 -0.070 0.000 0.962 3092 F CB 1.278 40.246 39.000 -0.054 0.000 1.171 3092 F HN 0.381 nan 8.300 nan 0.000 0.436 3093 I N 4.892 125.238 120.570 -0.374 0.000 2.287 3093 I HA 0.129 4.331 4.170 0.054 0.000 0.290 3093 I C -0.224 175.721 176.117 -0.287 0.000 1.069 3093 I CA -0.330 60.824 61.300 -0.244 0.000 1.237 3093 I CB 0.573 38.431 38.000 -0.237 0.000 1.418 3093 I HN 0.515 nan 8.210 nan 0.000 0.481 3094 D N 5.362 125.742 120.400 -0.033 0.000 2.631 3094 D HA 0.362 5.034 4.640 0.054 0.000 0.227 3094 D C 1.242 177.436 176.300 -0.177 0.000 1.146 3094 D CA -0.091 53.936 54.000 0.045 0.000 1.009 3094 D CB 0.836 41.765 40.800 0.215 0.000 1.057 3094 D HN 0.598 nan 8.370 nan 0.000 0.509 3095 A N 2.322 125.070 122.820 -0.119 0.000 2.067 3095 A HA -0.105 4.247 4.320 0.054 0.000 0.219 3095 A C 1.902 179.570 177.584 0.140 0.000 1.158 3095 A CA 0.750 52.764 52.037 -0.038 0.000 0.661 3095 A CB -0.203 18.804 19.000 0.011 0.000 0.801 3095 A HN 0.525 nan 8.150 nan 0.000 0.452 3096 E N -1.128 119.126 120.200 0.091 0.000 2.435 3096 E HA -0.073 4.310 4.350 0.054 0.000 0.195 3096 E C -0.492 176.271 176.600 0.271 0.000 1.029 3096 E CA 0.006 56.496 56.400 0.151 0.000 0.865 3096 E CB -0.113 29.605 29.700 0.029 0.000 0.833 3096 E HN 0.686 nan 8.360 nan 0.000 0.510 3097 H N -1.985 117.152 119.070 0.112 0.000 2.756 3097 H HA -0.206 4.383 4.556 0.054 0.000 0.315 3097 H C 0.004 175.387 175.328 0.092 0.000 1.210 3097 H CA 0.619 56.729 56.048 0.103 0.000 1.150 3097 H CB -1.393 28.429 29.762 0.099 0.000 1.463 3097 H HN 0.266 nan 8.280 nan 0.000 0.427 3098 A N 0.291 123.199 122.820 0.147 0.000 2.704 3098 A HA 0.223 4.575 4.320 0.054 0.000 0.260 3098 A C 0.443 178.062 177.584 0.059 0.000 1.144 3098 A CA -0.382 51.717 52.037 0.103 0.000 0.985 3098 A CB 0.729 19.786 19.000 0.095 0.000 1.256 3098 A HN 0.139 nan 8.150 nan 0.000 0.598 3099 L N 1.418 122.670 121.223 0.048 0.000 2.462 3099 L HA 0.408 4.780 4.340 0.054 0.000 0.272 3099 L C -0.530 176.319 176.870 -0.034 0.000 1.166 3099 L CA 0.237 55.055 54.840 -0.035 0.000 0.880 3099 L CB 0.509 42.473 42.059 -0.158 0.000 1.142 3099 L HN 0.222 nan 8.230 nan 0.000 0.473 3100 D N 7.281 127.669 120.400 -0.019 0.000 2.412 3100 D HA 0.324 4.996 4.640 0.054 0.000 0.224 3100 D C -1.807 174.497 176.300 0.007 0.000 1.093 3100 D CA -2.243 51.762 54.000 0.009 0.000 0.850 3100 D CB 1.536 42.353 40.800 0.029 0.000 1.046 3100 D HN 0.351 nan 8.370 nan 0.000 0.507 3101 P HA -0.164 nan 4.420 nan 0.000 0.215 3101 P C 1.654 178.944 177.300 -0.017 0.000 1.153 3101 P CA 0.671 63.745 63.100 -0.043 0.000 0.853 3101 P CB 0.523 32.202 31.700 -0.035 0.000 0.788 3102 I N -1.710 118.870 120.570 0.016 0.000 2.286 3102 I HA -0.238 3.964 4.170 0.054 0.000 0.248 3102 I C 2.672 178.826 176.117 0.061 0.000 1.115 3102 I CA 1.404 62.722 61.300 0.030 0.000 1.392 3102 I CB -1.100 36.923 38.000 0.039 0.000 1.065 3102 I HN -0.137 nan 8.210 nan 0.000 0.418 3103 Y N 1.036 121.312 120.300 -0.040 0.000 2.263 3103 Y HA -0.146 4.436 4.550 0.054 0.000 0.292 3103 Y C 2.439 178.312 175.900 -0.044 0.000 1.130 3103 Y CA 1.120 59.201 58.100 -0.032 0.000 1.179 3103 Y CB -0.495 37.947 38.460 -0.030 0.000 0.998 3103 Y HN 0.125 nan 8.280 nan 0.000 0.532 3104 A N 0.767 123.546 122.820 -0.068 0.000 1.908 3104 A HA -0.228 4.124 4.320 0.054 0.000 0.218 3104 A C 2.433 179.913 177.584 -0.173 0.000 1.181 3104 A CA 1.827 53.765 52.037 -0.164 0.000 0.627 3104 A CB -0.778 18.128 19.000 -0.157 0.000 0.818 3104 A HN 0.474 nan 8.150 nan 0.000 0.445 3105 R N -0.123 120.305 120.500 -0.121 0.000 2.081 3105 R HA -0.132 4.240 4.340 0.054 0.000 0.235 3105 R C 2.076 178.301 176.300 -0.124 0.000 1.131 3105 R CA 1.873 57.913 56.100 -0.101 0.000 0.960 3105 R CB -0.310 29.954 30.300 -0.061 0.000 0.856 3105 R HN 0.542 nan 8.270 nan 0.000 0.436 3106 K N 0.261 120.569 120.400 -0.153 0.000 2.152 3106 K HA -0.089 4.264 4.320 0.054 0.000 0.206 3106 K C 1.866 178.333 176.600 -0.222 0.000 1.048 3106 K CA 1.142 57.329 56.287 -0.166 0.000 0.933 3106 K CB -0.056 32.345 32.500 -0.165 0.000 0.721 3106 K HN 0.233 nan 8.250 nan 0.000 0.447 3107 L N -0.483 120.550 121.223 -0.318 0.000 2.610 3107 L HA 0.066 4.438 4.340 0.054 0.000 0.232 3107 L C 0.992 177.762 176.870 -0.167 0.000 1.149 3107 L CA 0.466 55.147 54.840 -0.265 0.000 0.872 3107 L CB -0.116 41.751 42.059 -0.320 0.000 0.992 3107 L HN 0.463 nan 8.230 nan 0.000 0.447 3108 G N 0.107 108.822 108.800 -0.142 0.000 2.131 3108 G HA2 -0.226 3.767 3.960 0.054 0.000 0.223 3108 G HA3 -0.226 3.767 3.960 0.054 0.000 0.223 3108 G C 0.117 174.957 174.900 -0.099 0.000 0.990 3108 G CA -0.123 44.911 45.100 -0.109 0.000 0.671 3108 G HN 0.089 nan 8.290 nan 0.000 0.521 3109 V N 1.092 120.942 119.914 -0.106 0.000 2.530 3109 V HA 0.364 4.517 4.120 0.054 0.000 0.282 3109 V C 0.685 176.734 176.094 -0.075 0.000 1.048 3109 V CA -0.108 62.138 62.300 -0.090 0.000 0.997 3109 V CB 1.675 33.436 31.823 -0.103 0.000 0.987 3109 V HN 0.375 nan 8.190 nan 0.000 0.477 3110 D N 4.594 124.958 120.400 -0.060 0.000 2.383 3110 D HA 0.090 4.762 4.640 0.054 0.000 0.245 3110 D C 1.060 177.332 176.300 -0.046 0.000 1.263 3110 D CA -0.268 53.703 54.000 -0.049 0.000 0.936 3110 D CB 0.491 41.266 40.800 -0.041 0.000 1.053 3110 D HN 0.282 nan 8.370 nan 0.000 0.507 3111 I N 2.671 123.212 120.570 -0.049 0.000 2.226 3111 I HA -0.210 3.992 4.170 0.054 0.000 0.245 3111 I C 1.485 177.581 176.117 -0.034 0.000 1.100 3111 I CA 0.988 62.259 61.300 -0.049 0.000 1.374 3111 I CB -0.634 37.337 38.000 -0.048 0.000 1.057 3111 I HN 0.405 nan 8.210 nan 0.000 0.413 3112 D N 0.661 121.045 120.400 -0.028 0.000 2.310 3112 D HA -0.105 4.567 4.640 0.054 0.000 0.212 3112 D C 1.435 177.725 176.300 -0.016 0.000 0.965 3112 D CA 0.746 54.734 54.000 -0.019 0.000 0.879 3112 D CB -0.076 40.714 40.800 -0.017 0.000 0.921 3112 D HN 0.396 nan 8.370 nan 0.000 0.510 3113 N N -0.105 118.584 118.700 -0.018 0.000 2.181 3113 N HA 0.024 4.796 4.740 0.054 0.000 0.207 3113 N C 0.294 175.798 175.510 -0.010 0.000 1.182 3113 N CA -0.212 52.830 53.050 -0.014 0.000 0.893 3113 N CB 1.323 39.801 38.487 -0.016 0.000 1.032 3113 N HN 0.149 nan 8.380 nan 0.000 0.513 3114 L N 2.871 124.086 121.223 -0.014 0.000 2.407 3114 L HA 0.251 4.624 4.340 0.054 0.000 0.282 3114 L C -0.196 176.679 176.870 0.009 0.000 1.110 3114 L CA -0.030 54.808 54.840 -0.004 0.000 0.863 3114 L CB -0.119 41.926 42.059 -0.022 0.000 1.207 3114 L HN -0.003 nan 8.230 nan 0.000 0.454 3115 L N 5.343 126.578 121.223 0.020 0.000 2.490 3115 L HA 0.064 4.436 4.340 0.054 0.000 0.274 3115 L C 0.115 177.016 176.870 0.052 0.000 1.201 3115 L CA 0.324 55.180 54.840 0.026 0.000 0.869 3115 L CB 0.843 42.913 42.059 0.019 0.000 1.123 3115 L HN 0.709 nan 8.230 nan 0.000 0.484 3116 C N 3.124 122.451 119.300 0.046 0.000 2.701 3116 C HA 0.647 5.139 4.460 0.054 0.000 0.336 3116 C C -0.343 174.673 174.990 0.043 0.000 1.123 3116 C CA -0.442 58.619 59.018 0.072 0.000 1.326 3116 C CB 1.504 29.275 27.740 0.052 0.000 1.833 3116 C HN 0.811 nan 8.230 nan 0.000 0.473 3117 S N 3.776 119.499 115.700 0.039 0.000 2.536 3117 S HA 0.615 5.118 4.470 0.054 0.000 0.287 3117 S C -1.252 173.323 174.600 -0.042 0.000 1.101 3117 S CA -0.280 57.917 58.200 -0.006 0.000 0.950 3117 S CB 1.522 64.701 63.200 -0.035 0.000 1.056 3117 S HN 0.849 nan 8.310 nan 0.000 0.481 3118 Q N 4.129 123.893 119.800 -0.061 0.000 2.607 3118 Q HA 0.338 4.710 4.340 0.054 0.000 0.247 3118 Q C -2.424 173.545 176.000 -0.052 0.000 1.033 3118 Q CA -1.886 53.817 55.803 -0.167 0.000 0.769 3118 Q CB 1.567 30.203 28.738 -0.170 0.000 1.169 3118 Q HN 0.528 nan 8.270 nan 0.000 0.508 3119 P HA 0.062 nan 4.420 nan 0.000 0.274 3119 P C -0.285 177.065 177.300 0.084 0.000 1.237 3119 P CA -0.146 62.937 63.100 -0.028 0.000 0.793 3119 P CB 1.496 33.136 31.700 -0.100 0.000 0.977 3120 D N -0.295 120.131 120.400 0.043 0.000 2.146 3120 D HA -0.024 4.648 4.640 0.054 0.000 0.209 3120 D C 0.976 177.300 176.300 0.040 0.000 0.973 3120 D CA 1.594 55.632 54.000 0.064 0.000 0.860 3120 D CB -0.410 40.418 40.800 0.047 0.000 1.015 3120 D HN 0.513 nan 8.370 nan 0.000 0.465 3121 T N -2.804 111.749 114.554 -0.002 0.000 2.952 3121 T HA 0.532 4.914 4.350 0.054 0.000 0.286 3121 T C 1.382 176.062 174.700 -0.033 0.000 1.024 3121 T CA -0.370 61.722 62.100 -0.013 0.000 1.029 3121 T CB 1.925 70.783 68.868 -0.016 0.000 1.094 3121 T HN -0.004 nan 8.240 nan 0.000 0.515 3122 G N 0.317 109.103 108.800 -0.024 0.000 2.408 3122 G HA2 -0.112 3.880 3.960 0.054 0.000 0.217 3122 G HA3 -0.112 3.880 3.960 0.054 0.000 0.217 3122 G C 1.157 176.030 174.900 -0.046 0.000 1.150 3122 G CA 0.588 45.673 45.100 -0.026 0.000 0.776 3122 G HN 0.793 nan 8.290 nan 0.000 0.542 3123 E N 0.001 120.174 120.200 -0.045 0.000 2.058 3123 E HA -0.140 4.243 4.350 0.054 0.000 0.194 3123 E C 2.423 178.968 176.600 -0.092 0.000 0.997 3123 E CA 1.266 57.642 56.400 -0.039 0.000 0.801 3123 E CB -0.252 29.443 29.700 -0.008 0.000 0.746 3123 E HN 0.609 nan 8.360 nan 0.000 0.450 3124 Q N 0.115 119.812 119.800 -0.172 0.000 2.061 3124 Q HA -0.233 4.139 4.340 0.054 0.000 0.204 3124 Q C 2.158 177.892 176.000 -0.442 0.000 0.984 3124 Q CA 1.712 57.223 55.803 -0.486 0.000 0.846 3124 Q CB -0.227 28.229 28.738 -0.471 0.000 0.902 3124 Q HN 0.310 nan 8.270 nan 0.000 0.421 3125 A N 0.693 123.370 122.820 -0.237 0.000 1.892 3125 A HA -0.203 4.150 4.320 0.054 0.000 0.218 3125 A C 2.032 179.540 177.584 -0.127 0.000 1.188 3125 A CA 1.662 53.599 52.037 -0.166 0.000 0.631 3125 A CB -0.749 18.198 19.000 -0.088 0.000 0.822 3125 A HN 0.464 nan 8.150 nan 0.000 0.447 3126 L N -1.204 119.971 121.223 -0.080 0.000 2.179 3126 L HA -0.057 4.315 4.340 0.054 0.000 0.208 3126 L C 2.523 179.374 176.870 -0.031 0.000 1.096 3126 L CA 0.779 55.604 54.840 -0.024 0.000 0.779 3126 L CB -0.427 41.638 42.059 0.011 0.000 0.922 3126 L HN 0.263 nan 8.230 nan 0.000 0.443 3127 E N 0.518 120.686 120.200 -0.052 0.000 2.153 3127 E HA -0.157 4.225 4.350 0.054 0.000 0.194 3127 E C 2.276 178.893 176.600 0.028 0.000 0.988 3127 E CA 1.162 57.579 56.400 0.029 0.000 0.811 3127 E CB -0.040 29.754 29.700 0.156 0.000 0.746 3127 E HN 0.509 nan 8.360 nan 0.000 0.466 3128 I N 0.072 120.583 120.570 -0.098 0.000 2.252 3128 I HA -0.309 3.893 4.170 0.054 0.000 0.245 3128 I C 2.507 178.604 176.117 -0.032 0.000 1.102 3128 I CA 0.632 61.898 61.300 -0.057 0.000 1.385 3128 I CB -0.219 37.696 38.000 -0.142 0.000 1.064 3128 I HN 0.123 nan 8.210 nan 0.000 0.414 3129 C N 0.404 119.669 119.300 -0.058 0.000 2.413 3129 C HA -0.225 4.268 4.460 0.054 0.000 0.276 3129 C C 2.576 177.548 174.990 -0.030 0.000 1.236 3129 C CA 1.349 60.331 59.018 -0.061 0.000 1.735 3129 C CB -0.980 26.715 27.740 -0.075 0.000 2.031 3129 C HN 0.540 nan 8.230 nan 0.000 0.474 3130 D N 0.360 120.756 120.400 -0.006 0.000 2.117 3130 D HA -0.070 4.602 4.640 0.054 0.000 0.197 3130 D C 2.190 178.499 176.300 0.015 0.000 0.987 3130 D CA 1.567 55.571 54.000 0.006 0.000 0.829 3130 D CB -0.208 40.605 40.800 0.022 0.000 0.961 3130 D HN 0.405 nan 8.370 nan 0.000 0.460 3131 A N 0.142 122.983 122.820 0.036 0.000 1.883 3131 A HA -0.131 4.222 4.320 0.054 0.000 0.217 3131 A C 2.426 180.023 177.584 0.022 0.000 1.186 3131 A CA 1.234 53.298 52.037 0.044 0.000 0.624 3131 A CB -0.875 18.174 19.000 0.083 0.000 0.822 3131 A HN 0.346 nan 8.150 nan 0.000 0.444 3132 L N -0.899 120.330 121.223 0.009 0.000 2.056 3132 L HA -0.168 4.204 4.340 0.054 0.000 0.207 3132 L C 3.119 179.981 176.870 -0.012 0.000 1.078 3132 L CA 0.934 55.772 54.840 -0.004 0.000 0.749 3132 L CB -0.685 41.362 42.059 -0.019 0.000 0.901 3132 L HN 0.448 nan 8.230 nan 0.000 0.433 3133 A N 0.337 123.146 122.820 -0.019 0.000 1.851 3133 A HA -0.246 4.106 4.320 0.054 0.000 0.216 3133 A C 2.413 179.990 177.584 -0.012 0.000 1.195 3133 A CA 1.774 53.798 52.037 -0.022 0.000 0.622 3133 A CB -0.614 18.370 19.000 -0.027 0.000 0.831 3133 A HN 0.293 nan 8.150 nan 0.000 0.444 3134 R N -0.011 120.486 120.500 -0.005 0.000 2.105 3134 R HA -0.142 4.230 4.340 0.054 0.000 0.239 3134 R C 2.624 178.926 176.300 0.003 0.000 1.135 3134 R CA 1.661 57.762 56.100 0.000 0.000 0.967 3134 R CB -0.423 29.881 30.300 0.007 0.000 0.861 3134 R HN 0.771 nan 8.270 nan 0.000 0.442 3135 S N -0.641 115.061 115.700 0.004 0.000 2.419 3135 S HA -0.092 4.411 4.470 0.054 0.000 0.235 3135 S C 1.647 176.249 174.600 0.003 0.000 1.019 3135 S CA 1.154 59.357 58.200 0.005 0.000 0.982 3135 S CB -0.284 62.919 63.200 0.006 0.000 0.789 3135 S HN 0.548 nan 8.310 nan 0.000 0.490 3136 G N 0.536 109.335 108.800 -0.001 0.000 2.166 3136 G HA2 -0.196 3.796 3.960 0.054 0.000 0.260 3136 G HA3 -0.196 3.796 3.960 0.054 0.000 0.260 3136 G C 0.734 175.632 174.900 -0.002 0.000 0.986 3136 G CA 0.375 45.474 45.100 -0.001 0.000 0.683 3136 G HN 1.418 nan 8.290 nan 0.000 0.527 3137 A N -1.232 121.586 122.820 -0.003 0.000 2.197 3137 A HA 0.678 5.030 4.320 0.054 0.000 0.210 3137 A C 1.000 178.580 177.584 -0.007 0.000 1.180 3137 A CA 1.215 53.250 52.037 -0.003 0.000 0.846 3137 A CB 0.618 19.617 19.000 -0.000 0.000 0.884 3137 A HN 0.970 nan 8.150 nan 0.000 0.487 3138 V N 1.053 120.961 119.914 -0.010 0.000 2.472 3138 V HA 0.230 4.382 4.120 0.054 0.000 0.290 3138 V C 0.140 176.223 176.094 -0.019 0.000 1.037 3138 V CA -0.495 61.796 62.300 -0.015 0.000 0.908 3138 V CB 1.601 33.412 31.823 -0.020 0.000 0.985 3138 V HN 0.392 nan 8.190 nan 0.000 0.454 3139 D N 1.829 122.217 120.400 -0.020 0.000 2.338 3139 D HA 0.075 4.747 4.640 0.054 0.000 0.224 3139 D C 0.370 176.652 176.300 -0.029 0.000 0.967 3139 D CA 1.165 55.153 54.000 -0.021 0.000 0.896 3139 D CB 1.453 42.242 40.800 -0.018 0.000 1.028 3139 D HN 0.407 nan 8.370 nan 0.000 0.493 3140 V N 1.073 120.967 119.914 -0.033 0.000 2.577 3140 V HA 0.481 4.633 4.120 0.054 0.000 0.303 3140 V C -1.417 174.642 176.094 -0.059 0.000 1.042 3140 V CA -0.721 61.552 62.300 -0.046 0.000 0.872 3140 V CB 1.885 33.686 31.823 -0.037 0.000 0.998 3140 V HN -0.095 nan 8.190 nan 0.000 0.423 3141 I N 6.839 127.348 120.570 -0.101 0.000 2.433 3141 I HA 0.644 4.846 4.170 0.054 0.000 0.292 3141 I C -0.402 175.580 176.117 -0.226 0.000 1.001 3141 I CA -1.035 60.177 61.300 -0.147 0.000 1.119 3141 I CB 1.972 39.868 38.000 -0.172 0.000 1.289 3141 I HN 0.631 nan 8.210 nan 0.000 0.438 3142 V N 6.936 126.691 119.914 -0.265 0.000 2.555 3142 V HA 0.590 4.742 4.120 0.054 0.000 0.302 3142 V C -0.798 174.942 176.094 -0.590 0.000 1.038 3142 V CA -0.369 61.694 62.300 -0.395 0.000 0.887 3142 V CB 2.042 33.699 31.823 -0.277 0.000 0.991 3142 V HN 0.444 nan 8.190 nan 0.000 0.434 3143 V N 5.639 125.223 119.914 -0.549 0.000 2.328 3143 V HA 0.398 4.551 4.120 0.054 0.000 0.278 3143 V C -0.174 175.723 176.094 -0.329 0.000 1.021 3143 V CA -0.350 61.683 62.300 -0.445 0.000 0.838 3143 V CB 1.200 32.815 31.823 -0.345 0.000 0.999 3143 V HN 0.980 nan 8.190 nan 0.000 0.447 3144 D N 3.644 123.800 120.400 -0.407 0.000 2.365 3144 D HA 0.305 4.977 4.640 0.054 0.000 0.237 3144 D C 0.031 176.290 176.300 -0.068 0.000 1.190 3144 D CA 0.651 54.533 54.000 -0.197 0.000 0.867 3144 D CB 0.697 41.440 40.800 -0.096 0.000 1.050 3144 D HN 0.638 nan 8.370 nan 0.000 0.491 3145 S N 1.339 117.024 115.700 -0.024 0.000 3.392 3145 S HA -0.150 4.352 4.470 0.054 0.000 0.693 3145 S C 1.174 175.785 174.600 0.018 0.000 0.620 3145 S CA 0.340 58.526 58.200 -0.023 0.000 1.452 3145 S CB -1.031 62.115 63.200 -0.089 0.000 0.988 3145 S HN 0.536 nan 8.310 nan 0.000 0.932 3146 V N 2.396 122.334 119.914 0.041 0.000 2.515 3146 V HA -0.009 4.143 4.120 0.054 0.000 0.250 3146 V C 2.331 178.421 176.094 -0.006 0.000 1.058 3146 V CA 2.324 64.638 62.300 0.023 0.000 1.064 3146 V CB -1.082 30.706 31.823 -0.059 0.000 0.675 3146 V HN 1.449 nan 8.190 nan 0.000 0.461 3147 A N 0.756 123.558 122.820 -0.029 0.000 1.958 3147 A HA -0.060 4.292 4.320 0.054 0.000 0.221 3147 A C 2.364 180.009 177.584 0.102 0.000 1.178 3147 A CA 2.533 54.565 52.037 -0.008 0.000 0.642 3147 A CB -0.994 17.950 19.000 -0.093 0.000 0.816 3147 A HN 1.236 nan 8.150 nan 0.000 0.453 3148 A N -1.665 121.217 122.820 0.105 0.000 2.275 3148 A HA 0.442 4.795 4.320 0.054 0.000 0.212 3148 A C 0.551 178.211 177.584 0.127 0.000 1.201 3148 A CA -0.117 52.040 52.037 0.201 0.000 0.843 3148 A CB -0.139 18.985 19.000 0.205 0.000 0.873 3148 A HN 0.285 nan 8.150 nan 0.000 0.492 3149 L N 2.544 123.808 121.223 0.069 0.000 2.451 3149 L HA 0.130 4.502 4.340 0.054 0.000 0.272 3149 L C 0.062 176.945 176.870 0.021 0.000 1.258 3149 L CA 0.688 55.551 54.840 0.038 0.000 1.132 3149 L CB -1.061 41.011 42.059 0.021 0.000 1.361 3149 L HN 0.101 nan 8.230 nan 0.000 0.438 3150 T N 4.426 118.996 114.554 0.028 0.000 2.737 3150 T HA 0.243 4.625 4.350 0.054 0.000 0.296 3150 T C -2.177 172.505 174.700 -0.030 0.000 0.922 3150 T CA -1.170 60.931 62.100 0.001 0.000 1.079 3150 T CB 0.551 69.424 68.868 0.007 0.000 0.892 3150 T HN 0.207 nan 8.240 nan 0.000 0.514 3151 P HA 0.057 nan 4.420 nan 0.000 0.266 3151 P C 0.898 178.137 177.300 -0.102 0.000 1.193 3151 P CA -0.263 62.785 63.100 -0.087 0.000 0.770 3151 P CB 0.720 32.345 31.700 -0.126 0.000 0.836 3152 K N 2.798 123.150 120.400 -0.080 0.000 2.057 3152 K HA -0.194 4.158 4.320 0.054 0.000 0.207 3152 K C 1.797 178.341 176.600 -0.094 0.000 1.049 3152 K CA 1.775 58.026 56.287 -0.061 0.000 0.931 3152 K CB -0.577 31.905 32.500 -0.031 0.000 0.714 3152 K HN 0.466 nan 8.250 nan 0.000 0.440 3153 A N 0.827 123.558 122.820 -0.148 0.000 1.969 3153 A HA -0.197 4.155 4.320 0.054 0.000 0.218 3153 A C 1.955 179.343 177.584 -0.327 0.000 1.169 3153 A CA 1.736 53.658 52.037 -0.192 0.000 0.635 3153 A CB -0.451 18.429 19.000 -0.201 0.000 0.810 3153 A HN 0.555 nan 8.150 nan 0.000 0.445 3154 E N -0.316 119.602 120.200 -0.469 0.000 2.072 3154 E HA -0.109 4.274 4.350 0.054 0.000 0.190 3154 E C 1.793 178.343 176.600 -0.083 0.000 0.982 3154 E CA 0.958 57.126 56.400 -0.386 0.000 0.803 3154 E CB -0.187 29.349 29.700 -0.274 0.000 0.755 3154 E HN 0.642 nan 8.360 nan 0.000 0.453 3155 I N 0.900 121.424 120.570 -0.077 0.000 2.226 3155 I HA -0.247 3.955 4.170 0.054 0.000 0.245 3155 I C 2.104 178.215 176.117 -0.011 0.000 1.100 3155 I CA 1.360 62.642 61.300 -0.029 0.000 1.374 3155 I CB -0.065 37.920 38.000 -0.025 0.000 1.057 3155 I HN 0.154 nan 8.210 nan 0.000 0.413 3156 E N 0.351 120.541 120.200 -0.017 0.000 2.216 3156 E HA -0.006 4.376 4.350 0.054 0.000 0.192 3156 E C 1.305 177.921 176.600 0.027 0.000 0.988 3156 E CA 0.424 56.826 56.400 0.003 0.000 0.834 3156 E CB -0.115 29.585 29.700 -0.001 0.000 0.772 3156 E HN 0.499 nan 8.360 nan 0.000 0.479 3157 G N 0.778 109.609 108.800 0.051 0.000 2.651 3157 G HA2 0.048 4.040 3.960 0.054 0.000 0.260 3157 G HA3 0.048 4.040 3.960 0.054 0.000 0.260 3157 G C -0.196 174.756 174.900 0.088 0.000 1.216 3157 G CA -0.508 44.661 45.100 0.114 0.000 0.913 3157 G HN 0.006 nan 8.290 nan 0.000 0.535 3158 E N -1.262 118.982 120.200 0.074 0.000 2.280 3158 E HA 0.253 4.635 4.350 0.054 0.000 0.261 3158 E C -0.127 176.498 176.600 0.041 0.000 1.088 3158 E CA -0.495 55.930 56.400 0.041 0.000 0.915 3158 E CB 1.718 31.430 29.700 0.020 0.000 1.141 3158 E HN 0.232 nan 8.360 nan 0.000 0.433 3159 I N 1.268 121.851 120.570 0.022 0.000 2.452 3159 I HA 0.093 4.295 4.170 0.054 0.000 0.287 3159 I C 1.134 177.249 176.117 -0.003 0.000 1.079 3159 I CA 0.974 62.282 61.300 0.013 0.000 1.387 3159 I CB 0.386 38.391 38.000 0.008 0.000 1.404 3159 I HN 0.878 nan 8.210 nan 0.000 0.522 3160 G N 4.025 112.814 108.800 -0.017 0.000 2.253 3160 G HA2 -0.196 3.796 3.960 0.054 0.000 0.209 3160 G HA3 -0.196 3.796 3.960 0.054 0.000 0.209 3160 G C -0.016 174.838 174.900 -0.076 0.000 0.997 3160 G CA -0.660 44.418 45.100 -0.037 0.000 0.640 3160 G HN 0.526 nan 8.290 nan 0.000 0.496 3161 D N 1.077 121.417 120.400 -0.100 0.000 2.443 3161 D HA 0.458 5.131 4.640 0.054 0.000 0.239 3161 D C 0.363 176.414 176.300 -0.415 0.000 1.136 3161 D CA 0.743 54.605 54.000 -0.230 0.000 0.879 3161 D CB 1.517 42.191 40.800 -0.210 0.000 1.195 3161 D HN 0.155 nan 8.370 nan 0.000 0.443 3162 S N 1.689 117.138 115.700 -0.418 0.000 2.438 3162 S HA 0.191 4.694 4.470 0.054 0.000 0.293 3162 S C -0.614 173.698 174.600 -0.480 0.000 1.141 3162 S CA -0.658 57.337 58.200 -0.341 0.000 1.080 3162 S CB 0.135 63.236 63.200 -0.165 0.000 0.978 3162 S HN 0.317 nan 8.310 nan 0.000 0.479 3163 H N 5.110 124.171 119.070 -0.015 0.000 2.317 3163 H HA 0.237 4.825 4.556 0.054 0.000 0.231 3163 H C -0.333 174.984 175.328 -0.018 0.000 1.442 3163 H CA -0.332 55.706 56.048 -0.016 0.000 1.336 3163 H CB -0.043 29.709 29.762 -0.016 0.000 1.533 3163 H HN 0.557 nan 8.280 nan 0.000 0.522 3164 M N 0.433 120.061 119.600 0.045 0.000 2.338 3164 M HA -0.023 4.489 4.480 0.054 0.000 0.360 3164 M C 1.294 177.609 176.300 0.025 0.000 1.547 3164 M CA 1.173 56.485 55.300 0.021 0.000 1.001 3164 M CB 0.382 32.981 32.600 -0.001 0.000 2.008 3164 M HN 0.841 nan 8.290 nan 0.000 0.464 3165 G N 3.066 111.875 108.800 0.015 0.000 2.244 3165 G HA2 -0.291 3.701 3.960 0.054 0.000 0.274 3165 G HA3 -0.291 3.701 3.960 0.054 0.000 0.274 3165 G C 0.723 175.626 174.900 0.005 0.000 1.002 3165 G CA 0.611 45.714 45.100 0.005 0.000 0.740 3165 G HN 0.776 nan 8.290 nan 0.000 0.516 3166 L N -0.542 120.693 121.223 0.020 0.000 2.005 3166 L HA 0.073 4.445 4.340 0.054 0.000 0.207 3166 L C 3.161 180.019 176.870 -0.020 0.000 1.072 3166 L CA 2.215 57.056 54.840 0.002 0.000 0.744 3166 L CB -0.569 41.494 42.059 0.006 0.000 0.895 3166 L HN 0.418 nan 8.230 nan 0.000 0.433 3167 A N -0.441 122.368 122.820 -0.019 0.000 1.933 3167 A HA -0.171 4.181 4.320 0.054 0.000 0.218 3167 A C 2.387 179.947 177.584 -0.040 0.000 1.175 3167 A CA 1.620 53.637 52.037 -0.032 0.000 0.628 3167 A CB -0.700 18.284 19.000 -0.026 0.000 0.814 3167 A HN 0.549 nan 8.150 nan 0.000 0.444 3168 A N -0.389 122.413 122.820 -0.030 0.000 1.873 3168 A HA -0.144 4.209 4.320 0.054 0.000 0.215 3168 A C 2.248 179.813 177.584 -0.032 0.000 1.186 3168 A CA 1.704 53.722 52.037 -0.032 0.000 0.616 3168 A CB -0.448 18.541 19.000 -0.019 0.000 0.823 3168 A HN 0.521 nan 8.150 nan 0.000 0.442 3169 R N -1.027 119.457 120.500 -0.026 0.000 2.092 3169 R HA -0.047 4.325 4.340 0.054 0.000 0.231 3169 R C 2.257 178.538 176.300 -0.032 0.000 1.119 3169 R CA 1.502 57.588 56.100 -0.024 0.000 0.970 3169 R CB -0.276 30.013 30.300 -0.018 0.000 0.864 3169 R HN 0.656 nan 8.270 nan 0.000 0.440 3170 M N -0.393 119.183 119.600 -0.039 0.000 2.099 3170 M HA -0.179 4.333 4.480 0.054 0.000 0.262 3170 M C 1.719 177.981 176.300 -0.062 0.000 1.067 3170 M CA 1.492 56.766 55.300 -0.044 0.000 1.124 3170 M CB 0.047 32.620 32.600 -0.045 0.000 1.353 3170 M HN 0.185 nan 8.290 nan 0.000 0.410 3171 M N -0.371 119.180 119.600 -0.082 0.000 2.108 3171 M HA -0.178 4.334 4.480 0.054 0.000 0.261 3171 M C 2.442 178.660 176.300 -0.138 0.000 1.066 3171 M CA 1.596 56.818 55.300 -0.131 0.000 1.107 3171 M CB -1.409 31.102 32.600 -0.148 0.000 1.356 3171 M HN 0.395 nan 8.290 nan 0.000 0.406 3172 S N -0.180 115.468 115.700 -0.088 0.000 2.368 3172 S HA -0.209 4.294 4.470 0.054 0.000 0.225 3172 S C 1.894 176.439 174.600 -0.092 0.000 1.030 3172 S CA 1.561 59.719 58.200 -0.069 0.000 0.999 3172 S CB -0.136 63.052 63.200 -0.021 0.000 0.844 3172 S HN 0.546 nan 8.310 nan 0.000 0.459 3173 Q N 0.137 119.899 119.800 -0.064 0.000 2.079 3173 Q HA -0.062 4.311 4.340 0.054 0.000 0.200 3173 Q C 2.219 178.172 176.000 -0.077 0.000 0.974 3173 Q CA 1.368 57.145 55.803 -0.044 0.000 0.840 3173 Q CB -0.435 28.299 28.738 -0.007 0.000 0.898 3173 Q HN 0.622 nan 8.270 nan 0.000 0.430 3174 A N 0.916 123.680 122.820 -0.093 0.000 1.883 3174 A HA -0.237 4.115 4.320 0.054 0.000 0.217 3174 A C 2.062 179.547 177.584 -0.164 0.000 1.186 3174 A CA 1.855 53.838 52.037 -0.090 0.000 0.624 3174 A CB -0.588 18.372 19.000 -0.067 0.000 0.822 3174 A HN 0.424 nan 8.150 nan 0.000 0.444 3175 M N -0.674 118.733 119.600 -0.321 0.000 2.080 3175 M HA -0.160 4.353 4.480 0.054 0.000 0.260 3175 M C 2.172 178.125 176.300 -0.578 0.000 1.068 3175 M CA 1.672 56.585 55.300 -0.644 0.000 1.109 3175 M CB -1.436 30.367 32.600 -1.329 0.000 1.342 3175 M HN 0.420 nan 8.290 nan 0.000 0.405 3176 R N 0.302 120.575 120.500 -0.378 0.000 2.094 3176 R HA -0.174 4.198 4.340 0.054 0.000 0.239 3176 R C 2.320 178.587 176.300 -0.054 0.000 1.137 3176 R CA 1.677 57.717 56.100 -0.100 0.000 0.943 3176 R CB -0.264 30.022 30.300 -0.023 0.000 0.850 3176 R HN 0.451 nan 8.270 nan 0.000 0.433 3177 K N 0.225 120.586 120.400 -0.066 0.000 2.103 3177 K HA -0.079 4.273 4.320 0.054 0.000 0.204 3177 K C 2.178 178.747 176.600 -0.050 0.000 1.052 3177 K CA 1.024 57.288 56.287 -0.039 0.000 0.945 3177 K CB -0.049 32.440 32.500 -0.019 0.000 0.722 3177 K HN 0.166 nan 8.250 nan 0.000 0.443 3178 L N 0.555 121.739 121.223 -0.064 0.000 2.068 3178 L HA -0.090 4.282 4.340 0.054 0.000 0.204 3178 L C 2.638 179.474 176.870 -0.057 0.000 1.076 3178 L CA 0.852 55.666 54.840 -0.044 0.000 0.753 3178 L CB -0.659 41.396 42.059 -0.008 0.000 0.910 3178 L HN 0.144 nan 8.230 nan 0.000 0.439 3179 A N 0.724 123.517 122.820 -0.045 0.000 1.896 3179 A HA -0.274 4.078 4.320 0.054 0.000 0.220 3179 A C 2.361 179.818 177.584 -0.212 0.000 1.206 3179 A CA 2.399 54.437 52.037 0.002 0.000 0.647 3179 A CB -1.544 17.575 19.000 0.199 0.000 0.828 3179 A HN 0.477 nan 8.150 nan 0.000 0.455 3180 G N -0.913 107.658 108.800 -0.382 0.000 2.404 3180 G HA2 -0.261 3.731 3.960 0.054 0.000 0.215 3180 G HA3 -0.261 3.731 3.960 0.054 0.000 0.215 3180 G C 1.440 176.141 174.900 -0.332 0.000 1.174 3180 G CA 1.023 45.679 45.100 -0.740 0.000 0.780 3180 G HN 0.729 nan 8.290 nan 0.000 0.537 3181 N N -0.039 118.563 118.700 -0.164 0.000 2.223 3181 N HA -0.016 4.756 4.740 0.054 0.000 0.185 3181 N C 2.189 177.660 175.510 -0.064 0.000 1.016 3181 N CA 0.457 53.458 53.050 -0.082 0.000 0.863 3181 N CB -0.121 38.337 38.487 -0.048 0.000 0.983 3181 N HN 0.240 nan 8.380 nan 0.000 0.429 3182 L N 0.691 121.873 121.223 -0.068 0.000 2.072 3182 L HA -0.113 4.260 4.340 0.054 0.000 0.205 3182 L C 2.418 179.276 176.870 -0.021 0.000 1.079 3182 L CA 0.866 55.685 54.840 -0.036 0.000 0.752 3182 L CB -0.195 41.853 42.059 -0.019 0.000 0.906 3182 L HN 0.062 nan 8.230 nan 0.000 0.436 3183 K N 0.583 120.963 120.400 -0.032 0.000 2.025 3183 K HA -0.192 4.160 4.320 0.054 0.000 0.207 3183 K C 2.055 178.674 176.600 0.031 0.000 1.049 3183 K CA 1.608 57.910 56.287 0.026 0.000 0.933 3183 K CB -0.229 32.332 32.500 0.102 0.000 0.714 3183 K HN 0.172 nan 8.250 nan 0.000 0.438 3184 Q N -0.532 119.274 119.800 0.010 0.000 2.364 3184 Q HA 0.034 4.406 4.340 0.054 0.000 0.207 3184 Q C 1.073 177.082 176.000 0.015 0.000 0.970 3184 Q CA 1.369 57.188 55.803 0.025 0.000 0.888 3184 Q CB 0.230 28.982 28.738 0.023 0.000 0.951 3184 Q HN 0.230 nan 8.270 nan 0.000 0.469 3185 S N -0.037 115.664 115.700 0.003 0.000 2.524 3185 S HA 0.056 4.558 4.470 0.054 0.000 0.215 3185 S C 0.233 174.834 174.600 0.001 0.000 0.986 3185 S CA -0.082 58.119 58.200 0.001 0.000 0.911 3185 S CB 0.298 63.494 63.200 -0.008 0.000 0.805 3185 S HN 0.451 nan 8.310 nan 0.000 0.501 3186 N N 2.018 120.721 118.700 0.006 0.000 2.735 3186 N HA -0.141 4.632 4.740 0.054 0.000 0.248 3186 N C -1.156 174.352 175.510 -0.003 0.000 1.083 3186 N CA 0.888 53.942 53.050 0.006 0.000 0.703 3186 N CB -1.513 36.978 38.487 0.008 0.000 1.005 3186 N HN 0.259 nan 8.380 nan 0.000 0.550 3187 T N 0.776 115.324 114.554 -0.010 0.000 2.767 3187 T HA 0.438 4.820 4.350 0.054 0.000 0.288 3187 T C 0.236 174.920 174.700 -0.025 0.000 0.963 3187 T CA -0.663 61.424 62.100 -0.022 0.000 1.019 3187 T CB 1.447 70.297 68.868 -0.030 0.000 0.923 3187 T HN 0.292 nan 8.240 nan 0.000 0.468 3188 L N 4.614 125.818 121.223 -0.032 0.000 2.331 3188 L HA 0.555 4.927 4.340 0.054 0.000 0.278 3188 L C -0.820 176.005 176.870 -0.075 0.000 1.106 3188 L CA -0.265 54.552 54.840 -0.038 0.000 0.824 3188 L CB 0.381 42.420 42.059 -0.033 0.000 1.142 3188 L HN 0.627 nan 8.230 nan 0.000 0.443 3189 L N 6.844 128.014 121.223 -0.089 0.000 2.319 3189 L HA 0.537 4.909 4.340 0.054 0.000 0.281 3189 L C -1.016 175.724 176.870 -0.216 0.000 1.005 3189 L CA -0.481 54.241 54.840 -0.195 0.000 0.828 3189 L CB 1.199 43.128 42.059 -0.218 0.000 1.227 3189 L HN 0.671 nan 8.230 nan 0.000 0.415 3190 I N 4.569 124.977 120.570 -0.270 0.000 2.321 3190 I HA 0.275 4.478 4.170 0.054 0.000 0.291 3190 I C -0.812 175.111 176.117 -0.322 0.000 0.998 3190 I CA -0.296 60.891 61.300 -0.189 0.000 1.227 3190 I CB 1.254 39.193 38.000 -0.102 0.000 1.368 3190 I HN 0.394 nan 8.210 nan 0.000 0.466 3191 F N 6.593 126.518 119.950 -0.041 0.000 2.404 3191 F HA 0.464 5.023 4.527 0.054 0.000 0.354 3191 F C 0.385 176.169 175.800 -0.026 0.000 1.122 3191 F CA -0.432 57.539 58.000 -0.048 0.000 1.080 3191 F CB 0.965 39.949 39.000 -0.026 0.000 1.131 3191 F HN 0.213 nan 8.300 nan 0.000 0.471 3192 I N 3.619 124.265 120.570 0.127 0.000 2.365 3192 I HA 0.207 4.410 4.170 0.054 0.000 0.291 3192 I C -0.169 176.008 176.117 0.099 0.000 1.004 3192 I CA -0.104 61.255 61.300 0.098 0.000 1.311 3192 I CB 1.005 39.035 38.000 0.050 0.000 1.401 3192 I HN 0.631 nan 8.210 nan 0.000 0.491 3193 N N 4.382 123.144 118.700 0.103 0.000 2.292 3193 N HA 0.388 5.160 4.740 0.054 0.000 0.303 3193 N C -1.158 174.339 175.510 -0.022 0.000 1.140 3193 N CA -0.687 52.384 53.050 0.035 0.000 0.788 3193 N CB 1.682 40.197 38.487 0.047 0.000 1.361 3193 N HN 0.542 nan 8.380 nan 0.000 0.489 3194 Q N 0.888 120.561 119.800 -0.212 0.000 2.180 3194 Q HA 0.492 4.864 4.340 0.054 0.000 0.241 3194 Q C -0.640 175.148 176.000 -0.353 0.000 0.970 3194 Q CA -0.638 54.853 55.803 -0.520 0.000 0.919 3194 Q CB 1.989 30.080 28.738 -1.077 0.000 1.222 3194 Q HN 0.479 nan 8.270 nan 0.000 0.482 3195 I N 1.458 121.829 120.570 -0.331 0.000 2.359 3195 I HA 0.351 4.553 4.170 0.054 0.000 0.294 3195 I C -0.037 176.025 176.117 -0.091 0.000 0.987 3195 I CA -0.658 60.583 61.300 -0.099 0.000 1.225 3195 I CB 0.798 38.866 38.000 0.114 0.000 1.366 3195 I HN 0.325 nan 8.210 nan 0.000 0.466 3196 R N 4.605 125.056 120.500 -0.082 0.000 2.873 3196 R HA 0.614 4.986 4.340 0.054 0.000 0.264 3196 R C -0.924 175.361 176.300 -0.026 0.000 1.026 3196 R CA -1.342 54.736 56.100 -0.036 0.000 1.002 3196 R CB 1.569 31.835 30.300 -0.055 0.000 1.174 3196 R HN 0.396 nan 8.270 nan 0.000 0.488 3197 M N 2.078 121.670 119.600 -0.013 0.000 2.209 3197 M HA 0.228 4.740 4.480 0.054 0.000 0.355 3197 M C -0.079 176.197 176.300 -0.040 0.000 1.171 3197 M CA -0.277 55.008 55.300 -0.025 0.000 1.069 3197 M CB 0.845 33.436 32.600 -0.015 0.000 1.622 3197 M HN 0.285 nan 8.290 nan 0.000 0.459 3198 K N 4.772 125.140 120.400 -0.054 0.000 2.144 3198 K HA 0.572 4.925 4.320 0.054 0.000 0.270 3198 K C -0.891 175.668 176.600 -0.068 0.000 1.005 3198 K CA -0.557 55.695 56.287 -0.058 0.000 0.932 3198 K CB 1.501 33.965 32.500 -0.060 0.000 1.021 3198 K HN 0.848 nan 8.250 nan 0.000 0.462 3199 I N -0.181 120.353 120.570 -0.060 0.000 2.465 3199 I HA 0.427 4.629 4.170 0.054 0.000 0.291 3199 I C -0.169 175.911 176.117 -0.061 0.000 1.014 3199 I CA 0.146 61.410 61.300 -0.060 0.000 1.093 3199 I CB 1.517 39.492 38.000 -0.043 0.000 1.267 3199 I HN 1.022 nan 8.210 nan 0.000 0.431 3200 G N 5.119 113.874 108.800 -0.074 0.000 2.288 3200 G HA2 -0.115 3.877 3.960 0.054 0.000 0.205 3200 G HA3 -0.115 3.877 3.960 0.054 0.000 0.205 3200 G C -0.870 173.964 174.900 -0.111 0.000 1.071 3200 G CA 0.041 45.103 45.100 -0.064 0.000 0.788 3200 G HN 0.994 nan 8.290 nan 0.000 0.491 3201 V N 2.039 121.827 119.914 -0.209 0.000 2.524 3201 V HA 0.697 4.849 4.120 0.054 0.000 0.297 3201 V C 1.013 176.836 176.094 -0.452 0.000 1.035 3201 V CA -0.238 61.774 62.300 -0.480 0.000 0.867 3201 V CB 1.203 32.693 31.823 -0.555 0.000 1.004 3201 V HN 0.365 nan 8.190 nan 0.000 0.426 3202 M N 6.015 125.351 119.600 -0.440 0.000 2.615 3202 M HA 0.284 4.797 4.480 0.054 0.000 0.262 3202 M C 0.744 176.956 176.300 -0.145 0.000 1.198 3202 M CA 0.609 55.794 55.300 -0.191 0.000 1.165 3202 M CB -0.470 32.114 32.600 -0.026 0.000 1.310 3202 M HN 0.611 nan 8.290 nan 0.000 0.494 3203 F N 1.597 121.544 119.950 -0.004 0.000 2.390 3203 F HA 0.683 5.242 4.527 0.054 0.000 0.307 3203 F C 1.307 177.106 175.800 -0.003 0.000 1.227 3203 F CA -0.403 57.595 58.000 -0.004 0.000 1.179 3203 F CB -0.918 38.080 39.000 -0.004 0.000 1.280 3203 F HN 0.416 nan 8.300 nan 0.000 0.548 3204 G N 1.125 110.066 108.800 0.234 0.000 2.602 3204 G HA2 -0.302 3.690 3.960 0.054 0.000 0.306 3204 G HA3 -0.302 3.690 3.960 0.054 0.000 0.306 3204 G C -0.637 174.267 174.900 0.007 0.000 1.301 3204 G CA 0.430 45.617 45.100 0.145 0.000 0.974 3204 G HN 1.468 nan 8.290 nan 0.000 0.547 3205 N N 1.101 119.798 118.700 -0.006 0.000 2.240 3205 N HA 0.533 5.305 4.740 0.054 0.000 0.302 3205 N C -1.802 173.663 175.510 -0.075 0.000 1.106 3205 N CA -1.355 51.673 53.050 -0.036 0.000 0.778 3205 N CB 2.476 40.966 38.487 0.004 0.000 1.431 3205 N HN 0.327 nan 8.380 nan 0.000 0.479 3206 P HA 0.148 nan 4.420 nan 0.000 0.249 3206 P C -0.379 176.881 177.300 -0.067 0.000 1.229 3206 P CA 0.384 63.423 63.100 -0.101 0.000 0.788 3206 P CB 0.532 32.175 31.700 -0.096 0.000 1.072 3207 E N 0.255 120.427 120.200 -0.046 0.000 2.366 3207 E HA 0.309 4.691 4.350 0.054 0.000 0.266 3207 E C 0.076 176.624 176.600 -0.086 0.000 1.051 3207 E CA 0.290 56.662 56.400 -0.047 0.000 0.884 3207 E CB 0.733 30.422 29.700 -0.018 0.000 1.006 3207 E HN 0.118 nan 8.360 nan 0.000 0.417 3208 T N 0.020 114.506 114.554 -0.113 0.000 2.618 3208 T HA 0.448 4.831 4.350 0.054 0.000 0.293 3208 T C -0.522 174.049 174.700 -0.215 0.000 1.093 3208 T CA -0.774 61.231 62.100 -0.159 0.000 1.061 3208 T CB 1.694 70.498 68.868 -0.107 0.000 1.498 3208 T HN 0.312 nan 8.240 nan 0.000 0.494 3209 T N 1.647 116.076 114.554 -0.208 0.000 2.909 3209 T HA 0.623 5.005 4.350 0.054 0.000 0.299 3209 T C -0.556 174.057 174.700 -0.145 0.000 1.073 3209 T CA -0.540 61.426 62.100 -0.222 0.000 0.999 3209 T CB 1.552 70.243 68.868 -0.295 0.000 1.098 3209 T HN 0.765 nan 8.240 nan 0.000 0.477 3210 T N 0.957 115.431 114.554 -0.133 0.000 2.868 3210 T HA 0.502 4.884 4.350 0.054 0.000 0.292 3210 T C 1.238 175.883 174.700 -0.092 0.000 1.028 3210 T CA 0.302 62.342 62.100 -0.100 0.000 1.059 3210 T CB 0.628 69.441 68.868 -0.092 0.000 0.991 3210 T HN 1.171 nan 8.240 nan 0.000 0.531 3211 G N 0.264 109.020 108.800 -0.072 0.000 2.204 3211 G HA2 0.265 4.257 3.960 0.054 0.000 0.244 3211 G HA3 0.265 4.257 3.960 0.054 0.000 0.244 3211 G C 0.700 175.558 174.900 -0.070 0.000 1.062 3211 G CA 0.123 45.178 45.100 -0.076 0.000 0.798 3211 G HN 1.861 nan 8.290 nan 0.000 0.496 3212 G N -0.371 108.400 108.800 -0.047 0.000 2.593 3212 G HA2 -0.178 3.815 3.960 0.054 0.000 0.237 3212 G HA3 -0.178 3.815 3.960 0.054 0.000 0.237 3212 G C 0.527 175.429 174.900 0.003 0.000 1.312 3212 G CA 0.494 45.583 45.100 -0.019 0.000 0.896 3212 G HN 0.956 nan 8.290 nan 0.000 0.574 3213 N N 0.377 119.112 118.700 0.059 0.000 2.250 3213 N HA 0.242 5.015 4.740 0.054 0.000 0.190 3213 N C 2.361 178.033 175.510 0.269 0.000 1.116 3213 N CA 1.141 54.279 53.050 0.146 0.000 0.881 3213 N CB 0.325 38.937 38.487 0.207 0.000 1.006 3213 N HN 0.844 nan 8.380 nan 0.000 0.491 3214 A N 1.570 124.504 122.820 0.191 0.000 1.865 3214 A HA -0.147 4.205 4.320 0.054 0.000 0.217 3214 A C 2.164 179.955 177.584 0.345 0.000 1.191 3214 A CA 1.146 53.347 52.037 0.275 0.000 0.623 3214 A CB -0.723 18.336 19.000 0.099 0.000 0.826 3214 A HN 0.197 nan 8.150 nan 0.000 0.444 3215 L N 0.032 121.325 121.223 0.118 0.000 2.079 3215 L HA -0.172 4.200 4.340 0.054 0.000 0.210 3215 L C 2.238 179.184 176.870 0.126 0.000 1.081 3215 L CA 2.254 57.131 54.840 0.062 0.000 0.752 3215 L CB -0.569 41.410 42.059 -0.134 0.000 0.896 3215 L HN 0.396 nan 8.230 nan 0.000 0.433 3216 K N -1.230 119.215 120.400 0.074 0.000 2.074 3216 K HA -0.231 4.122 4.320 0.054 0.000 0.209 3216 K C 2.033 178.586 176.600 -0.079 0.000 1.048 3216 K CA 2.058 58.314 56.287 -0.051 0.000 0.926 3216 K CB -0.460 31.911 32.500 -0.215 0.000 0.713 3216 K HN 0.278 nan 8.250 nan 0.000 0.444 3217 F N -0.722 119.265 119.950 0.062 0.000 2.149 3217 F HA -0.092 4.468 4.527 0.054 0.000 0.294 3217 F C 2.086 177.857 175.800 -0.048 0.000 1.095 3217 F CA 1.027 59.019 58.000 -0.014 0.000 1.276 3217 F CB -0.340 38.616 39.000 -0.073 0.000 1.023 3217 F HN -0.036 nan 8.300 nan 0.000 0.480 3218 Y N 0.175 120.604 120.300 0.215 0.000 2.395 3218 Y HA 0.185 4.767 4.550 0.054 0.000 0.293 3218 Y C 1.666 177.630 175.900 0.106 0.000 1.123 3218 Y CA 0.017 58.203 58.100 0.144 0.000 1.227 3218 Y CB -0.773 37.754 38.460 0.112 0.000 1.012 3218 Y HN -0.115 nan 8.280 nan 0.000 0.552 3219 A N -0.041 122.912 122.820 0.222 0.000 2.546 3219 A HA 0.099 4.451 4.320 0.054 0.000 0.243 3219 A C 1.253 178.884 177.584 0.078 0.000 1.063 3219 A CA 0.565 52.688 52.037 0.143 0.000 0.757 3219 A CB 0.101 19.167 19.000 0.110 0.000 0.991 3219 A HN 0.356 nan 8.150 nan 0.000 0.503 3220 S N 0.581 116.317 115.700 0.060 0.000 2.486 3220 S HA 0.194 4.696 4.470 0.054 0.000 0.220 3220 S C 0.316 174.896 174.600 -0.034 0.000 1.011 3220 S CA 0.463 58.669 58.200 0.009 0.000 0.921 3220 S CB 0.134 63.343 63.200 0.015 0.000 0.785 3220 S HN 0.567 nan 8.310 nan 0.000 0.517 3221 V N 2.431 122.334 119.914 -0.017 0.000 2.733 3221 V HA 0.451 4.604 4.120 0.054 0.000 0.306 3221 V C -0.902 175.179 176.094 -0.021 0.000 1.084 3221 V CA -0.839 61.433 62.300 -0.047 0.000 0.905 3221 V CB 2.117 33.913 31.823 -0.046 0.000 1.010 3221 V HN 0.141 nan 8.190 nan 0.000 0.424 3222 R N 4.305 124.777 120.500 -0.048 0.000 2.480 3222 R HA 0.674 5.046 4.340 0.054 0.000 0.306 3222 R C -1.821 174.417 176.300 -0.103 0.000 0.958 3222 R CA -0.899 55.188 56.100 -0.021 0.000 0.861 3222 R CB 2.239 32.572 30.300 0.055 0.000 1.171 3222 R HN 0.339 nan 8.270 nan 0.000 0.445 3223 L N 2.446 123.572 121.223 -0.161 0.000 2.313 3223 L HA 0.290 4.663 4.340 0.054 0.000 0.283 3223 L C -0.195 176.366 176.870 -0.515 0.000 1.013 3223 L CA -0.541 54.164 54.840 -0.226 0.000 0.816 3223 L CB 1.423 43.414 42.059 -0.113 0.000 1.236 3223 L HN 0.493 nan 8.230 nan 0.000 0.419 3224 D N 4.338 124.447 120.400 -0.483 0.000 2.454 3224 D HA 0.252 4.924 4.640 0.054 0.000 0.225 3224 D C -0.624 175.544 176.300 -0.221 0.000 1.081 3224 D CA -0.211 53.440 54.000 -0.583 0.000 0.864 3224 D CB 0.830 41.429 40.800 -0.335 0.000 1.040 3224 D HN 0.453 nan 8.370 nan 0.000 0.517 3225 I N 3.326 123.803 120.570 -0.155 0.000 2.392 3225 I HA 0.476 4.678 4.170 0.054 0.000 0.295 3225 I C -0.646 175.469 176.117 -0.003 0.000 0.985 3225 I CA -0.635 60.639 61.300 -0.044 0.000 1.221 3225 I CB 0.609 38.618 38.000 0.015 0.000 1.366 3225 I HN 0.246 nan 8.210 nan 0.000 0.467 3226 R N 5.654 126.141 120.500 -0.022 0.000 2.584 3226 R HA 0.373 4.745 4.340 0.054 0.000 0.276 3226 R C -1.093 175.191 176.300 -0.028 0.000 1.046 3226 R CA -0.898 55.202 56.100 -0.001 0.000 0.906 3226 R CB 2.007 32.311 30.300 0.007 0.000 1.215 3226 R HN 0.569 nan 8.270 nan 0.000 0.449 3227 R N 4.017 124.521 120.500 0.006 0.000 2.298 3227 R HA 0.180 4.553 4.340 0.054 0.000 0.310 3227 R C 0.695 176.988 176.300 -0.012 0.000 1.068 3227 R CA 0.117 56.219 56.100 0.004 0.000 0.957 3227 R CB 0.464 30.800 30.300 0.059 0.000 1.003 3227 R HN 0.774 nan 8.270 nan 0.000 0.454 3228 I N 0.468 121.015 120.570 -0.039 0.000 4.181 3228 I HA 0.485 4.687 4.170 0.054 0.000 0.331 3228 I C 0.458 176.552 176.117 -0.038 0.000 1.312 3228 I CA -0.195 61.082 61.300 -0.038 0.000 1.146 3228 I CB 1.032 39.000 38.000 -0.053 0.000 1.074 3228 I HN 0.626 nan 8.210 nan 0.000 0.402 3229 G N 1.042 109.817 108.800 -0.042 0.000 2.441 3229 G HA2 0.662 4.654 3.960 0.054 0.000 0.294 3229 G HA3 0.662 4.654 3.960 0.054 0.000 0.294 3229 G C -1.977 172.887 174.900 -0.061 0.000 1.393 3229 G CA -0.235 44.834 45.100 -0.053 0.000 0.796 3229 G HN 0.297 nan 8.290 nan 0.000 0.494 3230 A N -0.555 122.215 122.820 -0.085 0.000 2.317 3230 A HA 0.728 5.080 4.320 0.054 0.000 0.327 3230 A C -0.269 177.267 177.584 -0.081 0.000 1.178 3230 A CA -0.532 51.445 52.037 -0.099 0.000 0.817 3230 A CB 1.561 20.461 19.000 -0.167 0.000 1.189 3230 A HN 1.333 nan 8.150 nan 0.000 0.489 3231 V N 3.735 123.596 119.914 -0.088 0.000 2.368 3231 V HA 0.202 4.354 4.120 0.054 0.000 0.266 3231 V C 0.352 176.410 176.094 -0.060 0.000 1.045 3231 V CA -0.011 62.242 62.300 -0.079 0.000 0.899 3231 V CB 0.389 32.150 31.823 -0.104 0.000 1.006 3231 V HN 0.849 nan 8.190 nan 0.000 0.470 3232 K N 3.339 123.714 120.400 -0.042 0.000 2.156 3232 K HA 0.483 4.835 4.320 0.054 0.000 0.254 3232 K C -0.137 176.456 176.600 -0.013 0.000 0.950 3232 K CA -0.714 55.559 56.287 -0.024 0.000 0.849 3232 K CB 1.731 34.214 32.500 -0.029 0.000 1.100 3232 K HN 0.476 nan 8.250 nan 0.000 0.434 3233 E N 1.832 122.033 120.200 0.001 0.000 3.312 3233 E HA 0.125 4.507 4.350 0.054 0.000 0.215 3233 E C 0.547 177.151 176.600 0.007 0.000 1.160 3233 E CA -0.139 56.264 56.400 0.006 0.000 1.267 3233 E CB 0.734 30.445 29.700 0.018 0.000 1.361 3233 E HN 1.007 nan 8.360 nan 0.000 0.433 3234 G N 2.587 111.386 108.800 -0.001 0.000 4.230 3234 G HA2 -0.431 3.561 3.960 0.054 0.000 0.340 3234 G HA3 -0.431 3.561 3.960 0.054 0.000 0.340 3234 G C 1.165 176.067 174.900 0.003 0.000 1.315 3234 G CA 0.717 45.816 45.100 -0.000 0.000 1.033 3234 G HN 0.450 nan 8.290 nan 0.000 0.741 3235 E N 1.886 122.093 120.200 0.011 0.000 2.021 3235 E HA 0.002 4.384 4.350 0.054 0.000 0.189 3235 E C 1.191 177.806 176.600 0.025 0.000 0.980 3235 E CA 0.893 57.303 56.400 0.016 0.000 0.803 3235 E CB -0.371 29.341 29.700 0.021 0.000 0.766 3235 E HN 0.688 nan 8.360 nan 0.000 0.449 3236 N N 0.348 119.069 118.700 0.036 0.000 2.525 3236 N HA 0.111 4.883 4.740 0.054 0.000 0.271 3236 N C -0.775 174.773 175.510 0.063 0.000 1.194 3236 N CA -0.145 52.941 53.050 0.061 0.000 0.964 3236 N CB 1.536 40.065 38.487 0.071 0.000 1.126 3236 N HN -0.200 nan 8.380 nan 0.000 0.452 3237 V N 2.197 122.178 119.914 0.111 0.000 2.320 3237 V HA 0.092 4.244 4.120 0.054 0.000 0.265 3237 V C 0.603 176.842 176.094 0.243 0.000 1.048 3237 V CA -0.252 62.128 62.300 0.134 0.000 0.865 3237 V CB 1.032 32.931 31.823 0.126 0.000 1.043 3237 V HN 0.569 nan 8.190 nan 0.000 0.474 3238 V N 4.427 124.400 119.914 0.098 0.000 3.660 3238 V HA 0.624 4.777 4.120 0.054 0.000 0.276 3238 V C 0.854 176.772 176.094 -0.295 0.000 1.317 3238 V CA 1.232 63.569 62.300 0.062 0.000 1.097 3238 V CB 0.258 32.102 31.823 0.036 0.000 0.863 3238 V HN 0.900 nan 8.190 nan 0.000 0.438 3239 G N -1.175 107.299 108.800 -0.543 0.000 2.559 3239 G HA2 0.467 4.459 3.960 0.054 0.000 0.291 3239 G HA3 0.467 4.459 3.960 0.054 0.000 0.291 3239 G C -1.447 173.134 174.900 -0.532 0.000 1.424 3239 G CA -0.293 44.216 45.100 -0.984 0.000 0.786 3239 G HN -0.006 nan 8.290 nan 0.000 0.485 3240 S N -0.087 115.407 115.700 -0.343 0.000 2.437 3240 S HA 0.494 4.996 4.470 0.054 0.000 0.305 3240 S C -0.331 174.238 174.600 -0.053 0.000 1.109 3240 S CA -0.420 57.764 58.200 -0.027 0.000 1.099 3240 S CB 1.669 64.968 63.200 0.165 0.000 1.004 3240 S HN 0.589 nan 8.310 nan 0.000 0.475 3241 E N 2.180 122.344 120.200 -0.060 0.000 2.290 3241 E HA 0.322 4.704 4.350 0.054 0.000 0.277 3241 E C -0.605 175.915 176.600 -0.133 0.000 1.035 3241 E CA 0.334 56.681 56.400 -0.087 0.000 0.873 3241 E CB 0.549 30.205 29.700 -0.073 0.000 1.029 3241 E HN 0.452 nan 8.360 nan 0.000 0.419 3242 T N 4.943 119.336 114.554 -0.268 0.000 2.876 3242 T HA 0.505 4.887 4.350 0.054 0.000 0.289 3242 T C -0.776 173.599 174.700 -0.541 0.000 1.014 3242 T CA -0.758 61.091 62.100 -0.418 0.000 0.986 3242 T CB 1.249 69.766 68.868 -0.585 0.000 1.021 3242 T HN 0.326 nan 8.240 nan 0.000 0.458 3243 R N 2.110 122.394 120.500 -0.360 0.000 2.532 3243 R HA 0.673 5.045 4.340 0.054 0.000 0.297 3243 R C -1.833 174.361 176.300 -0.177 0.000 0.984 3243 R CA -0.507 55.437 56.100 -0.259 0.000 0.884 3243 R CB 1.348 31.570 30.300 -0.130 0.000 1.182 3243 R HN 0.452 nan 8.270 nan 0.000 0.442 3244 V N 4.726 124.573 119.914 -0.111 0.000 2.448 3244 V HA 0.395 4.547 4.120 0.054 0.000 0.295 3244 V C -0.201 175.889 176.094 -0.007 0.000 1.025 3244 V CA -0.809 61.477 62.300 -0.023 0.000 0.859 3244 V CB 1.754 33.630 31.823 0.088 0.000 0.988 3244 V HN 0.659 nan 8.190 nan 0.000 0.431 3245 K N 2.921 123.306 120.400 -0.025 0.000 2.159 3245 K HA 0.578 4.931 4.320 0.054 0.000 0.266 3245 K C -0.870 175.709 176.600 -0.034 0.000 0.975 3245 K CA -0.682 55.606 56.287 0.002 0.000 0.865 3245 K CB 2.191 34.714 32.500 0.037 0.000 1.087 3245 K HN 0.464 nan 8.250 nan 0.000 0.446 3246 V N 4.674 124.569 119.914 -0.032 0.000 2.338 3246 V HA -0.006 4.146 4.120 0.054 0.000 0.255 3246 V C 1.136 177.117 176.094 -0.188 0.000 1.082 3246 V CA -0.048 62.188 62.300 -0.106 0.000 0.951 3246 V CB 0.687 32.441 31.823 -0.116 0.000 1.102 3246 V HN 0.667 nan 8.190 nan 0.000 0.489 3247 V N 3.689 123.511 119.914 -0.153 0.000 2.535 3247 V HA 0.063 4.215 4.120 0.054 0.000 0.246 3247 V C 0.985 176.884 176.094 -0.324 0.000 1.045 3247 V CA 1.341 63.568 62.300 -0.121 0.000 1.058 3247 V CB -0.094 31.766 31.823 0.063 0.000 0.689 3247 V HN 0.782 nan 8.190 nan 0.000 0.461 3248 K N 0.772 121.013 120.400 -0.264 0.000 2.427 3248 K HA 0.412 4.765 4.320 0.054 0.000 0.252 3248 K C -1.524 174.914 176.600 -0.271 0.000 0.931 3248 K CA -0.588 55.529 56.287 -0.283 0.000 0.793 3248 K CB 1.733 34.146 32.500 -0.145 0.000 1.211 3248 K HN 0.135 nan 8.250 nan 0.000 0.426 3249 N N 2.958 121.468 118.700 -0.317 0.000 2.519 3249 N HA 0.217 4.989 4.740 0.054 0.000 0.291 3249 N C -0.925 174.418 175.510 -0.278 0.000 1.107 3249 N CA -0.373 52.514 53.050 -0.273 0.000 0.904 3249 N CB 1.699 40.003 38.487 -0.306 0.000 1.500 3249 N HN 0.632 nan 8.380 nan 0.000 0.510 3250 K N 2.358 122.634 120.400 -0.208 0.000 2.358 3250 K HA 0.293 4.645 4.320 0.054 0.000 0.197 3250 K C 0.656 177.112 176.600 -0.239 0.000 1.025 3250 K CA 0.171 56.330 56.287 -0.212 0.000 1.104 3250 K CB 0.541 32.973 32.500 -0.114 0.000 0.855 3250 K HN 0.393 nan 8.250 nan 0.000 0.531 3251 I N -0.352 120.091 120.570 -0.212 0.000 4.312 3251 I HA 0.195 4.398 4.170 0.054 0.000 0.324 3251 I C -0.047 175.973 176.117 -0.161 0.000 1.298 3251 I CA -0.078 61.129 61.300 -0.155 0.000 1.231 3251 I CB 1.199 39.143 38.000 -0.094 0.000 1.152 3251 I HN -0.057 nan 8.210 nan 0.000 0.421 3252 A N -0.325 122.372 122.820 -0.205 0.000 2.536 3252 A HA 0.838 5.191 4.320 0.054 0.000 0.293 3252 A C -0.902 176.531 177.584 -0.252 0.000 1.119 3252 A CA -0.213 51.723 52.037 -0.169 0.000 0.654 3252 A CB -0.023 18.920 19.000 -0.096 0.000 1.291 3252 A HN 0.063 nan 8.150 nan 0.000 0.439 3253 A N 1.389 124.095 122.820 -0.190 0.000 2.540 3253 A HA 0.547 4.900 4.320 0.054 0.000 0.239 3253 A C -1.971 175.431 177.584 -0.304 0.000 1.061 3253 A CA -0.273 51.592 52.037 -0.287 0.000 0.758 3253 A CB -0.752 18.234 19.000 -0.024 0.000 0.991 3253 A HN 0.546 nan 8.150 nan 0.000 0.502 3254 P HA 0.533 nan 4.420 nan 0.000 0.284 3254 P C -0.197 176.960 177.300 -0.238 0.000 1.292 3254 P CA -0.318 62.468 63.100 -0.523 0.000 0.800 3254 P CB 0.208 31.329 31.700 -0.964 0.000 1.188 3255 F N -4.467 115.463 119.950 -0.034 0.000 2.840 3255 F HA -0.196 4.363 4.527 0.054 0.000 0.310 3255 F C 0.648 176.459 175.800 0.018 0.000 0.688 3255 F CA 0.697 58.704 58.000 0.010 0.000 1.286 3255 F CB -2.405 36.625 39.000 0.050 0.000 1.612 3255 F HN 0.227 nan 8.300 nan 0.000 0.335 3256 K N 1.174 121.641 120.400 0.111 0.000 2.126 3256 K HA 0.550 4.902 4.320 0.054 0.000 0.257 3256 K C 0.427 177.065 176.600 0.064 0.000 1.007 3256 K CA -0.426 55.911 56.287 0.083 0.000 0.928 3256 K CB 0.998 33.527 32.500 0.048 0.000 1.013 3256 K HN 0.420 nan 8.250 nan 0.000 0.473 3257 Q N -0.358 119.477 119.800 0.058 0.000 2.456 3257 Q HA 0.744 5.116 4.340 0.054 0.000 0.283 3257 Q C -1.726 174.304 176.000 0.049 0.000 1.084 3257 Q CA -1.320 54.511 55.803 0.047 0.000 0.801 3257 Q CB 2.095 30.858 28.738 0.042 0.000 1.434 3257 Q HN 0.525 nan 8.270 nan 0.000 0.419 3258 A N 1.376 124.231 122.820 0.059 0.000 2.356 3258 A HA 0.576 4.928 4.320 0.054 0.000 0.310 3258 A C -1.211 176.401 177.584 0.047 0.000 1.075 3258 A CA -0.679 51.421 52.037 0.104 0.000 0.746 3258 A CB 1.477 20.597 19.000 0.200 0.000 1.221 3258 A HN 0.717 nan 8.150 nan 0.000 0.443 3259 E N 1.233 121.454 120.200 0.035 0.000 2.171 3259 E HA 0.668 5.050 4.350 0.054 0.000 0.271 3259 E C -1.229 175.386 176.600 0.024 0.000 0.916 3259 E CA -0.335 56.009 56.400 -0.092 0.000 0.774 3259 E CB 1.899 31.560 29.700 -0.065 0.000 1.128 3259 E HN 0.617 nan 8.360 nan 0.000 0.403 3260 F N -1.120 118.821 119.950 -0.016 0.000 2.789 3260 F HA 0.433 4.992 4.527 0.054 0.000 0.319 3260 F C -1.185 174.604 175.800 -0.019 0.000 1.168 3260 F CA -1.245 56.741 58.000 -0.024 0.000 0.934 3260 F CB 1.003 39.988 39.000 -0.026 0.000 1.375 3260 F HN 0.135 nan 8.300 nan 0.000 0.480 3261 Q N 1.294 121.277 119.800 0.306 0.000 2.282 3261 Q HA 0.625 4.997 4.340 0.054 0.000 0.260 3261 Q C -1.173 174.980 176.000 0.254 0.000 0.964 3261 Q CA -0.723 55.175 55.803 0.158 0.000 0.880 3261 Q CB 2.929 31.704 28.738 0.061 0.000 1.286 3261 Q HN 0.573 nan 8.270 nan 0.000 0.445 3262 I N 3.959 124.623 120.570 0.156 0.000 2.306 3262 I HA 0.214 4.417 4.170 0.054 0.000 0.288 3262 I C -0.562 175.532 176.117 -0.038 0.000 1.036 3262 I CA -0.425 60.962 61.300 0.146 0.000 1.221 3262 I CB 0.548 38.682 38.000 0.223 0.000 1.385 3262 I HN 0.381 nan 8.210 nan 0.000 0.472 3263 L N 7.058 128.274 121.223 -0.012 0.000 2.281 3263 L HA 0.295 4.668 4.340 0.054 0.000 0.285 3263 L C -0.493 176.405 176.870 0.045 0.000 1.074 3263 L CA -0.802 53.985 54.840 -0.088 0.000 0.817 3263 L CB 0.115 42.166 42.059 -0.012 0.000 1.168 3263 L HN 0.375 nan 8.230 nan 0.000 0.434 3264 Y N 2.112 122.507 120.300 0.158 0.000 2.717 3264 Y HA 0.182 4.764 4.550 0.054 0.000 0.330 3264 Y C 1.510 177.540 175.900 0.217 0.000 1.217 3264 Y CA 0.428 58.653 58.100 0.209 0.000 1.506 3264 Y CB -0.046 38.508 38.460 0.156 0.000 1.268 3264 Y HN 0.859 nan 8.280 nan 0.000 0.561 3265 G N 1.807 110.922 108.800 0.526 0.000 2.184 3265 G HA2 -0.370 3.623 3.960 0.054 0.000 0.264 3265 G HA3 -0.370 3.623 3.960 0.054 0.000 0.264 3265 G C 0.940 175.887 174.900 0.078 0.000 0.975 3265 G CA 0.765 46.053 45.100 0.314 0.000 0.642 3265 G HN 0.653 nan 8.290 nan 0.000 0.536 3266 E N -1.076 119.169 120.200 0.076 0.000 2.357 3266 E HA 0.464 4.847 4.350 0.054 0.000 0.202 3266 E C 1.376 177.964 176.600 -0.021 0.000 0.855 3266 E CA 1.314 57.724 56.400 0.017 0.000 1.048 3266 E CB 0.620 30.349 29.700 0.048 0.000 1.037 3266 E HN 1.657 nan 8.360 nan 0.000 0.499 3267 G N 0.649 109.464 108.800 0.025 0.000 2.352 3267 G HA2 -0.139 3.853 3.960 0.054 0.000 0.324 3267 G HA3 -0.139 3.853 3.960 0.054 0.000 0.324 3267 G C -0.781 174.150 174.900 0.051 0.000 1.249 3267 G CA -0.454 44.657 45.100 0.018 0.000 1.053 3267 G HN 0.157 nan 8.290 nan 0.000 0.492 3268 I N 1.836 122.417 120.570 0.018 0.000 2.671 3268 I HA -0.013 4.189 4.170 0.054 0.000 0.285 3268 I C 0.897 177.030 176.117 0.027 0.000 1.148 3268 I CA -0.155 61.144 61.300 -0.002 0.000 1.386 3268 I CB 0.266 38.145 38.000 -0.202 0.000 1.406 3268 I HN 0.460 nan 8.210 nan 0.000 0.540 3269 N N 6.724 125.468 118.700 0.072 0.000 2.383 3269 N HA -0.158 4.615 4.740 0.054 0.000 0.295 3269 N C 0.575 176.112 175.510 0.045 0.000 1.281 3269 N CA 0.500 53.594 53.050 0.074 0.000 1.048 3269 N CB -0.035 38.495 38.487 0.072 0.000 1.455 3269 N HN 0.493 nan 8.380 nan 0.000 0.488 3270 F N 3.897 123.756 119.950 -0.151 0.000 2.128 3270 F HA -0.096 4.464 4.527 0.054 0.000 0.295 3270 F C 0.943 176.595 175.800 -0.246 0.000 1.100 3270 F CA 1.316 59.152 58.000 -0.273 0.000 1.260 3270 F CB -0.128 38.602 39.000 -0.450 0.000 1.009 3270 F HN 0.438 nan 8.300 nan 0.000 0.476 3271 Y N 0.405 120.756 120.300 0.084 0.000 2.373 3271 Y HA 0.052 4.635 4.550 0.054 0.000 0.293 3271 Y C 2.646 178.491 175.900 -0.093 0.000 1.129 3271 Y CA 0.858 58.950 58.100 -0.013 0.000 1.226 3271 Y CB -1.323 37.177 38.460 0.067 0.000 1.000 3271 Y HN 0.128 nan 8.280 nan 0.000 0.549 3272 G N 0.072 108.908 108.800 0.061 0.000 2.446 3272 G HA2 -0.271 3.722 3.960 0.054 0.000 0.217 3272 G HA3 -0.271 3.722 3.960 0.054 0.000 0.217 3272 G C 1.506 176.374 174.900 -0.053 0.000 1.168 3272 G CA 1.172 46.272 45.100 -0.000 0.000 0.771 3272 G HN 0.406 nan 8.290 nan 0.000 0.551 3273 E N -0.313 119.819 120.200 -0.114 0.000 2.058 3273 E HA -0.141 4.242 4.350 0.054 0.000 0.194 3273 E C 2.418 178.904 176.600 -0.190 0.000 0.997 3273 E CA 0.904 57.211 56.400 -0.155 0.000 0.801 3273 E CB -0.245 29.296 29.700 -0.265 0.000 0.746 3273 E HN 0.298 nan 8.360 nan 0.000 0.450 3274 L N 0.748 121.799 121.223 -0.288 0.000 2.042 3274 L HA -0.193 4.180 4.340 0.054 0.000 0.210 3274 L C 2.236 179.059 176.870 -0.078 0.000 1.076 3274 L CA 1.393 56.107 54.840 -0.209 0.000 0.749 3274 L CB -0.408 41.545 42.059 -0.176 0.000 0.893 3274 L HN -0.018 nan 8.230 nan 0.000 0.432 3275 V N -0.254 119.627 119.914 -0.054 0.000 2.233 3275 V HA -0.331 3.821 4.120 0.054 0.000 0.247 3275 V C 2.301 178.398 176.094 0.004 0.000 1.050 3275 V CA 2.104 64.377 62.300 -0.045 0.000 1.010 3275 V CB -0.782 30.956 31.823 -0.141 0.000 0.637 3275 V HN 0.433 nan 8.190 nan 0.000 0.444 3276 D N -0.131 120.267 120.400 -0.004 0.000 2.123 3276 D HA -0.130 4.543 4.640 0.054 0.000 0.196 3276 D C 2.076 178.392 176.300 0.027 0.000 0.992 3276 D CA 0.996 55.014 54.000 0.031 0.000 0.833 3276 D CB -0.290 40.522 40.800 0.019 0.000 0.954 3276 D HN 0.173 nan 8.370 nan 0.000 0.455 3277 L N 0.548 121.768 121.223 -0.006 0.000 2.093 3277 L HA -0.018 4.354 4.340 0.054 0.000 0.208 3277 L C 2.468 179.348 176.870 0.017 0.000 1.085 3277 L CA 1.502 56.340 54.840 -0.005 0.000 0.755 3277 L CB -1.578 40.456 42.059 -0.042 0.000 0.904 3277 L HN 0.075 nan 8.230 nan 0.000 0.435 3278 G N -0.902 107.910 108.800 0.021 0.000 2.421 3278 G HA2 -0.173 3.819 3.960 0.054 0.000 0.216 3278 G HA3 -0.173 3.819 3.960 0.054 0.000 0.216 3278 G C 1.765 176.715 174.900 0.084 0.000 1.171 3278 G CA 0.893 46.023 45.100 0.050 0.000 0.775 3278 G HN 0.239 nan 8.290 nan 0.000 0.543 3279 V N 0.816 120.790 119.914 0.101 0.000 2.343 3279 V HA -0.153 4.000 4.120 0.054 0.000 0.247 3279 V C 2.711 178.850 176.094 0.075 0.000 1.051 3279 V CA 2.215 64.584 62.300 0.115 0.000 1.036 3279 V CB -0.353 31.570 31.823 0.166 0.000 0.654 3279 V HN 0.399 nan 8.190 nan 0.000 0.451 3280 K N -0.172 120.265 120.400 0.061 0.000 2.097 3280 K HA -0.187 4.165 4.320 0.054 0.000 0.206 3280 K C 1.693 178.318 176.600 0.042 0.000 1.049 3280 K CA 1.374 57.688 56.287 0.045 0.000 0.933 3280 K CB 0.003 32.525 32.500 0.037 0.000 0.717 3280 K HN 0.360 nan 8.250 nan 0.000 0.442 3281 E N 0.800 121.028 120.200 0.047 0.000 2.437 3281 E HA -0.008 4.374 4.350 0.054 0.000 0.189 3281 E C -0.250 176.383 176.600 0.055 0.000 1.054 3281 E CA 0.121 56.549 56.400 0.047 0.000 0.874 3281 E CB 0.493 30.220 29.700 0.046 0.000 1.011 3281 E HN 0.181 nan 8.360 nan 0.000 0.474 3282 K N -0.130 120.306 120.400 0.060 0.000 3.160 3282 K HA -0.201 4.151 4.320 0.054 0.000 0.280 3282 K C 0.936 177.586 176.600 0.084 0.000 1.154 3282 K CA 0.465 56.788 56.287 0.061 0.000 0.822 3282 K CB -2.185 30.341 32.500 0.043 0.000 1.239 3282 K HN 0.273 nan 8.250 nan 0.000 0.489 3283 L N -0.490 120.802 121.223 0.115 0.000 2.298 3283 L HA 0.207 4.579 4.340 0.054 0.000 0.209 3283 L C 1.165 178.195 176.870 0.267 0.000 1.084 3283 L CA 0.547 55.496 54.840 0.182 0.000 0.816 3283 L CB 0.140 42.308 42.059 0.182 0.000 0.967 3283 L HN 0.115 nan 8.230 nan 0.000 0.460 3284 I N -0.215 120.479 120.570 0.206 0.000 2.404 3284 I HA 0.200 4.403 4.170 0.054 0.000 0.293 3284 I C -0.197 176.014 176.117 0.158 0.000 0.992 3284 I CA -0.617 60.821 61.300 0.231 0.000 1.149 3284 I CB 2.162 40.288 38.000 0.210 0.000 1.315 3284 I HN -0.108 nan 8.210 nan 0.000 0.446 3285 E N 5.668 125.945 120.200 0.129 0.000 2.331 3285 E HA 0.222 4.604 4.350 0.054 0.000 0.272 3285 E C -0.680 175.926 176.600 0.011 0.000 1.036 3285 E CA -0.174 56.259 56.400 0.055 0.000 0.864 3285 E CB 0.911 30.628 29.700 0.028 0.000 1.035 3285 E HN 0.289 nan 8.360 nan 0.000 0.408 3286 K N 2.679 123.038 120.400 -0.069 0.000 2.572 3286 K HA 0.492 4.844 4.320 0.054 0.000 0.244 3286 K C -1.610 174.901 176.600 -0.149 0.000 0.965 3286 K CA -0.616 55.528 56.287 -0.237 0.000 0.943 3286 K CB 1.076 33.381 32.500 -0.325 0.000 1.154 3286 K HN 0.505 nan 8.250 nan 0.000 0.447 3287 A N 3.441 126.205 122.820 -0.093 0.000 2.880 3287 A HA 0.548 4.900 4.320 0.054 0.000 0.328 3287 A C 0.875 178.459 177.584 -0.001 0.000 1.440 3287 A CA 0.391 52.414 52.037 -0.023 0.000 1.068 3287 A CB -0.229 18.780 19.000 0.016 0.000 1.163 3287 A HN 1.046 nan 8.150 nan 0.000 0.510 3288 G N 1.569 110.337 108.800 -0.053 0.000 3.274 3288 G HA2 -0.123 3.869 3.960 0.054 0.000 0.313 3288 G HA3 -0.123 3.869 3.960 0.054 0.000 0.313 3288 G C 1.326 176.157 174.900 -0.114 0.000 1.295 3288 G CA 0.856 45.927 45.100 -0.048 0.000 1.004 3288 G HN 1.912 nan 8.290 nan 0.000 0.614 3289 A N -0.867 121.896 122.820 -0.096 0.000 2.343 3289 A HA 0.527 4.879 4.320 0.054 0.000 0.223 3289 A C 0.572 177.999 177.584 -0.262 0.000 1.214 3289 A CA 0.442 52.369 52.037 -0.183 0.000 0.900 3289 A CB 0.092 18.984 19.000 -0.181 0.000 0.942 3289 A HN 0.573 nan 8.150 nan 0.000 0.507 3290 W N 0.045 121.253 121.300 -0.155 0.000 2.358 3290 W HA 0.496 5.188 4.660 0.054 0.000 0.307 3290 W C -0.834 175.567 176.519 -0.198 0.000 1.203 3290 W CA -0.087 57.199 57.345 -0.099 0.000 1.279 3290 W CB 0.317 29.737 29.460 -0.067 0.000 1.264 3290 W HN 0.237 nan 8.180 nan 0.000 0.474 3291 Y N 2.936 123.358 120.300 0.204 0.000 2.341 3291 Y HA 0.371 4.953 4.550 0.054 0.000 0.340 3291 Y C 0.548 176.501 175.900 0.088 0.000 0.997 3291 Y CA -0.242 57.918 58.100 0.101 0.000 1.149 3291 Y CB 1.021 39.491 38.460 0.017 0.000 1.171 3291 Y HN 0.144 nan 8.280 nan 0.000 0.494 3292 S N 2.900 118.699 115.700 0.165 0.000 2.532 3292 S HA 0.436 4.938 4.470 0.054 0.000 0.301 3292 S C -1.793 172.870 174.600 0.106 0.000 1.083 3292 S CA -0.796 57.445 58.200 0.068 0.000 1.025 3292 S CB 1.325 64.534 63.200 0.014 0.000 1.056 3292 S HN 0.501 nan 8.310 nan 0.000 0.494 3293 Y N 2.475 122.703 120.300 -0.121 0.000 2.326 3293 Y HA 0.361 4.944 4.550 0.054 0.000 0.329 3293 Y C -0.069 175.803 175.900 -0.046 0.000 0.973 3293 Y CA -1.084 56.970 58.100 -0.077 0.000 1.162 3293 Y CB 0.494 38.890 38.460 -0.107 0.000 1.147 3293 Y HN 0.806 nan 8.280 nan 0.000 0.456 3294 K N 5.050 125.153 120.400 -0.495 0.000 3.278 3294 K HA -0.262 4.090 4.320 0.054 0.000 0.270 3294 K C 0.985 177.460 176.600 -0.208 0.000 0.955 3294 K CA 0.976 57.011 56.287 -0.420 0.000 0.723 3294 K CB -1.621 30.512 32.500 -0.611 0.000 1.382 3294 K HN 1.325 nan 8.250 nan 0.000 0.461 3295 G N 0.228 108.946 108.800 -0.137 0.000 2.417 3295 G HA2 -0.399 3.593 3.960 0.054 0.000 0.233 3295 G HA3 -0.399 3.593 3.960 0.054 0.000 0.233 3295 G C 0.006 174.851 174.900 -0.092 0.000 1.103 3295 G CA 0.517 45.558 45.100 -0.098 0.000 0.647 3295 G HN 0.551 nan 8.290 nan 0.000 0.512 3296 E N 1.930 122.077 120.200 -0.087 0.000 2.324 3296 E HA 0.334 4.716 4.350 0.054 0.000 0.271 3296 E C 0.126 176.661 176.600 -0.110 0.000 1.028 3296 E CA -0.343 56.011 56.400 -0.076 0.000 0.890 3296 E CB 0.238 29.923 29.700 -0.026 0.000 1.004 3296 E HN 0.384 nan 8.360 nan 0.000 0.431 3297 K N 4.964 125.297 120.400 -0.112 0.000 2.322 3297 K HA 0.147 4.499 4.320 0.054 0.000 0.283 3297 K C 0.945 177.454 176.600 -0.152 0.000 1.042 3297 K CA -0.020 56.222 56.287 -0.074 0.000 0.958 3297 K CB 0.781 33.210 32.500 -0.118 0.000 0.984 3297 K HN 0.568 nan 8.250 nan 0.000 0.473 3298 I N -1.860 118.568 120.570 -0.237 0.000 4.181 3298 I HA 0.310 4.512 4.170 0.054 0.000 0.331 3298 I C 0.549 176.510 176.117 -0.262 0.000 1.312 3298 I CA -0.321 60.539 61.300 -0.733 0.000 1.146 3298 I CB 0.978 38.173 38.000 -1.341 0.000 1.074 3298 I HN 0.597 nan 8.210 nan 0.000 0.402 3299 G N 1.157 109.997 108.800 0.067 0.000 2.361 3299 G HA2 0.209 4.201 3.960 0.054 0.000 0.299 3299 G HA3 0.209 4.201 3.960 0.054 0.000 0.299 3299 G C -2.150 172.697 174.900 -0.088 0.000 1.544 3299 G CA -0.698 44.427 45.100 0.043 0.000 0.860 3299 G HN 0.196 nan 8.290 nan 0.000 0.610 3300 Q N 0.183 119.728 119.800 -0.425 0.000 2.325 3300 Q HA 0.559 4.931 4.340 0.054 0.000 0.262 3300 Q C 0.355 176.203 176.000 -0.252 0.000 0.968 3300 Q CA 0.414 55.808 55.803 -0.682 0.000 0.877 3300 Q CB 1.282 29.290 28.738 -1.217 0.000 1.253 3300 Q HN 2.416 nan 8.270 nan 0.000 0.448 3301 G N 3.003 111.785 108.800 -0.030 0.000 2.764 3301 G HA2 -0.262 3.731 3.960 0.054 0.000 0.686 3301 G HA3 -0.262 3.731 3.960 0.054 0.000 0.686 3301 G C 0.086 174.994 174.900 0.013 0.000 1.258 3301 G CA 0.023 45.166 45.100 0.072 0.000 0.846 3301 G HN 0.815 nan 8.290 nan 0.000 0.596 3302 K N 1.160 121.564 120.400 0.006 0.000 2.127 3302 K HA -0.097 4.256 4.320 0.054 0.000 0.208 3302 K C 2.933 179.412 176.600 -0.202 0.000 1.047 3302 K CA 2.582 58.707 56.287 -0.270 0.000 0.927 3302 K CB -0.326 32.120 32.500 -0.091 0.000 0.716 3302 K HN 1.168 nan 8.250 nan 0.000 0.450 3303 A N 1.204 123.965 122.820 -0.099 0.000 1.873 3303 A HA -0.263 4.089 4.320 0.054 0.000 0.218 3303 A C 1.778 179.323 177.584 -0.066 0.000 1.193 3303 A CA 2.236 54.234 52.037 -0.065 0.000 0.629 3303 A CB -0.881 18.095 19.000 -0.041 0.000 0.826 3303 A HN 0.557 nan 8.150 nan 0.000 0.447 3304 N N -0.350 118.304 118.700 -0.077 0.000 2.216 3304 N HA 0.055 4.828 4.740 0.054 0.000 0.183 3304 N C 1.912 177.407 175.510 -0.025 0.000 1.017 3304 N CA 1.027 54.052 53.050 -0.042 0.000 0.861 3304 N CB -0.256 38.199 38.487 -0.053 0.000 0.986 3304 N HN 0.486 nan 8.380 nan 0.000 0.428 3305 A N 0.395 123.131 122.820 -0.139 0.000 1.933 3305 A HA -0.154 4.198 4.320 0.054 0.000 0.218 3305 A C 2.214 179.771 177.584 -0.045 0.000 1.175 3305 A CA 1.778 53.719 52.037 -0.159 0.000 0.628 3305 A CB -1.038 17.622 19.000 -0.567 0.000 0.814 3305 A HN 0.232 nan 8.150 nan 0.000 0.444 3306 T N 0.346 114.850 114.554 -0.084 0.000 2.708 3306 T HA -0.040 4.343 4.350 0.054 0.000 0.266 3306 T C 2.215 176.903 174.700 -0.020 0.000 1.037 3306 T CA 1.627 63.718 62.100 -0.014 0.000 1.146 3306 T CB -0.464 68.404 68.868 -0.001 0.000 0.865 3306 T HN 0.608 nan 8.240 nan 0.000 0.435 3307 A N 0.170 122.986 122.820 -0.006 0.000 1.972 3307 A HA -0.095 4.257 4.320 0.054 0.000 0.219 3307 A C 2.040 179.611 177.584 -0.021 0.000 1.169 3307 A CA 1.355 53.380 52.037 -0.021 0.000 0.635 3307 A CB -1.077 17.927 19.000 0.008 0.000 0.810 3307 A HN 0.705 nan 8.150 nan 0.000 0.446 3308 W N 0.429 121.656 121.300 -0.121 0.000 2.388 3308 W HA -0.097 4.595 4.660 0.054 0.000 0.294 3308 W C 1.722 178.142 176.519 -0.165 0.000 1.212 3308 W CA 1.731 59.014 57.345 -0.103 0.000 1.271 3308 W CB -0.163 29.267 29.460 -0.050 0.000 1.126 3308 W HN 0.252 nan 8.180 nan 0.000 0.535 3309 L N 0.444 121.649 121.223 -0.031 0.000 2.141 3309 L HA -0.180 4.192 4.340 0.054 0.000 0.209 3309 L C 2.468 178.895 176.870 -0.739 0.000 1.094 3309 L CA 1.315 55.982 54.840 -0.289 0.000 0.763 3309 L CB -0.757 41.246 42.059 -0.093 0.000 0.908 3309 L HN -0.108 nan 8.230 nan 0.000 0.437 3310 K N 0.106 120.005 120.400 -0.835 0.000 2.063 3310 K HA -0.218 4.134 4.320 0.054 0.000 0.208 3310 K C 1.623 177.952 176.600 -0.451 0.000 1.048 3310 K CA 1.915 57.752 56.287 -0.751 0.000 0.928 3310 K CB -0.161 32.102 32.500 -0.396 0.000 0.713 3310 K HN 0.228 nan 8.250 nan 0.000 0.442 3311 D N 0.304 120.452 120.400 -0.419 0.000 2.178 3311 D HA -0.067 4.605 4.640 0.054 0.000 0.202 3311 D C -0.187 175.835 176.300 -0.463 0.000 0.974 3311 D CA 0.965 54.732 54.000 -0.387 0.000 0.841 3311 D CB 0.002 40.572 40.800 -0.382 0.000 0.953 3311 D HN 0.141 nan 8.370 nan 0.000 0.478 3312 N N 0.031 118.346 118.700 -0.642 0.000 2.976 3312 N HA 0.203 4.976 4.740 0.054 0.000 0.255 3312 N C -2.183 173.116 175.510 -0.353 0.000 1.312 3312 N CA -1.097 51.608 53.050 -0.576 0.000 0.897 3312 N CB 1.709 39.602 38.487 -0.991 0.000 1.184 3312 N HN -0.031 nan 8.380 nan 0.000 0.497 3313 P HA -0.107 nan 4.420 nan 0.000 0.223 3313 P C 0.876 178.154 177.300 -0.036 0.000 1.151 3313 P CA 1.005 64.051 63.100 -0.090 0.000 0.787 3313 P CB 0.458 32.125 31.700 -0.055 0.000 0.788 3314 E N -0.546 119.618 120.200 -0.060 0.000 2.072 3314 E HA -0.092 4.290 4.350 0.054 0.000 0.191 3314 E C 1.731 178.336 176.600 0.009 0.000 0.985 3314 E CA 1.477 57.867 56.400 -0.017 0.000 0.801 3314 E CB -1.780 27.909 29.700 -0.019 0.000 0.750 3314 E HN 0.256 nan 8.360 nan 0.000 0.452 3315 T N 1.723 116.267 114.554 -0.017 0.000 2.857 3315 T HA 0.015 4.397 4.350 0.054 0.000 0.266 3315 T C 2.078 176.783 174.700 0.009 0.000 1.048 3315 T CA 1.317 63.437 62.100 0.033 0.000 1.139 3315 T CB -0.241 68.664 68.868 0.063 0.000 0.874 3315 T HN 0.311 nan 8.240 nan 0.000 0.455 3316 A N 2.345 125.170 122.820 0.008 0.000 1.883 3316 A HA -0.154 4.198 4.320 0.054 0.000 0.217 3316 A C 2.315 179.974 177.584 0.126 0.000 1.186 3316 A CA 1.294 53.393 52.037 0.103 0.000 0.624 3316 A CB -0.370 18.769 19.000 0.232 0.000 0.822 3316 A HN 0.209 nan 8.150 nan 0.000 0.444 3317 K N -0.200 120.263 120.400 0.104 0.000 2.063 3317 K HA -0.199 4.153 4.320 0.054 0.000 0.208 3317 K C 1.938 178.584 176.600 0.077 0.000 1.048 3317 K CA 1.672 58.012 56.287 0.089 0.000 0.928 3317 K CB -0.497 32.038 32.500 0.058 0.000 0.713 3317 K HN 0.794 nan 8.250 nan 0.000 0.442 3318 E N 0.662 120.905 120.200 0.072 0.000 2.051 3318 E HA -0.145 4.237 4.350 0.054 0.000 0.192 3318 E C 2.130 178.779 176.600 0.082 0.000 0.991 3318 E CA 0.971 57.422 56.400 0.085 0.000 0.799 3318 E CB -0.029 29.741 29.700 0.117 0.000 0.748 3318 E HN 0.231 nan 8.360 nan 0.000 0.449 3319 I N 0.972 121.570 120.570 0.046 0.000 2.226 3319 I HA -0.237 3.965 4.170 0.054 0.000 0.245 3319 I C 2.717 178.860 176.117 0.043 0.000 1.100 3319 I CA 1.180 62.494 61.300 0.024 0.000 1.374 3319 I CB -0.420 37.531 38.000 -0.083 0.000 1.057 3319 I HN 0.248 nan 8.210 nan 0.000 0.413 3320 E N 1.681 121.915 120.200 0.058 0.000 2.058 3320 E HA -0.312 4.071 4.350 0.054 0.000 0.194 3320 E C 2.246 178.882 176.600 0.060 0.000 0.997 3320 E CA 1.570 58.008 56.400 0.065 0.000 0.801 3320 E CB -0.016 29.765 29.700 0.135 0.000 0.746 3320 E HN 0.326 nan 8.360 nan 0.000 0.450 3321 K N 0.629 121.068 120.400 0.064 0.000 2.063 3321 K HA -0.218 4.135 4.320 0.054 0.000 0.208 3321 K C 2.124 178.755 176.600 0.051 0.000 1.048 3321 K CA 1.735 58.055 56.287 0.055 0.000 0.928 3321 K CB 0.033 32.565 32.500 0.054 0.000 0.713 3321 K HN -0.038 nan 8.250 nan 0.000 0.442 3322 K N -0.052 120.383 120.400 0.059 0.000 2.057 3322 K HA -0.069 4.284 4.320 0.054 0.000 0.206 3322 K C 1.968 178.597 176.600 0.048 0.000 1.050 3322 K CA 1.105 57.427 56.287 0.059 0.000 0.935 3322 K CB 0.067 32.615 32.500 0.080 0.000 0.715 3322 K HN -0.037 nan 8.250 nan 0.000 0.439 3323 V N 1.316 121.255 119.914 0.041 0.000 2.295 3323 V HA -0.278 3.875 4.120 0.054 0.000 0.246 3323 V C 2.187 178.296 176.094 0.024 0.000 1.049 3323 V CA 1.752 64.069 62.300 0.027 0.000 1.024 3323 V CB -0.431 31.395 31.823 0.007 0.000 0.648 3323 V HN 0.279 nan 8.190 nan 0.000 0.447 3324 R N -0.250 120.266 120.500 0.027 0.000 2.073 3324 R HA -0.182 4.190 4.340 0.054 0.000 0.234 3324 R C 2.354 178.670 176.300 0.027 0.000 1.134 3324 R CA 1.808 57.923 56.100 0.026 0.000 0.952 3324 R CB -0.347 29.971 30.300 0.031 0.000 0.850 3324 R HN 0.603 nan 8.270 nan 0.000 0.433 3325 E N 0.605 120.824 120.200 0.031 0.000 2.085 3325 E HA -0.207 4.175 4.350 0.054 0.000 0.194 3325 E C 2.020 178.638 176.600 0.030 0.000 0.994 3325 E CA 1.176 57.594 56.400 0.030 0.000 0.801 3325 E CB -0.102 29.618 29.700 0.034 0.000 0.743 3325 E HN 0.281 nan 8.360 nan 0.000 0.453 3326 L N 0.004 121.246 121.223 0.032 0.000 2.093 3326 L HA -0.141 4.231 4.340 0.054 0.000 0.208 3326 L C 2.049 178.936 176.870 0.028 0.000 1.085 3326 L CA 0.882 55.741 54.840 0.031 0.000 0.755 3326 L CB 0.025 42.105 42.059 0.034 0.000 0.904 3326 L HN 0.168 nan 8.230 nan 0.000 0.435 3327 L N -1.452 119.787 121.223 0.026 0.000 2.781 3327 L HA 0.191 4.563 4.340 0.054 0.000 0.245 3327 L C 0.362 177.245 176.870 0.022 0.000 1.118 3327 L CA -0.285 54.569 54.840 0.024 0.000 0.918 3327 L CB 0.556 42.627 42.059 0.021 0.000 1.246 3327 L HN 0.054 nan 8.230 nan 0.000 0.526 3328 L N 0.109 121.345 121.223 0.021 0.000 2.369 3328 L HA 0.093 4.465 4.340 0.054 0.000 0.279 3328 L C 1.618 178.501 176.870 0.022 0.000 1.108 3328 L CA -0.025 54.826 54.840 0.019 0.000 0.852 3328 L CB 1.412 43.481 42.059 0.017 0.000 1.169 3328 L HN 0.039 nan 8.230 nan 0.000 0.452 3329 S N 2.676 118.389 115.700 0.022 0.000 2.368 3329 S HA -0.151 4.351 4.470 0.054 0.000 0.226 3329 S C 0.651 175.267 174.600 0.027 0.000 1.044 3329 S CA 1.891 60.107 58.200 0.027 0.000 1.062 3329 S CB -0.133 63.083 63.200 0.027 0.000 0.931 3329 S HN 0.888 nan 8.310 nan 0.000 0.440 3330 N N -0.604 118.109 118.700 0.022 0.000 2.701 3330 N HA 0.294 5.066 4.740 0.054 0.000 0.258 3330 N C -3.198 172.321 175.510 0.016 0.000 1.262 3330 N CA -1.451 51.611 53.050 0.021 0.000 0.780 3330 N CB 0.523 39.025 38.487 0.025 0.000 1.380 3330 N HN -0.019 nan 8.380 nan 0.000 0.548 3331 P HA 0.043 nan 4.420 nan 0.000 0.263 3331 P C -0.193 177.114 177.300 0.011 0.000 1.386 3331 P CA -0.075 63.033 63.100 0.013 0.000 0.797 3331 P CB -0.204 31.506 31.700 0.016 0.000 1.381 3332 N N 0.492 119.199 118.700 0.011 0.000 2.412 3332 N HA 0.022 4.794 4.740 0.054 0.000 0.254 3332 N C 0.026 175.540 175.510 0.007 0.000 1.232 3332 N CA 0.515 53.571 53.050 0.009 0.000 0.880 3332 N CB 0.303 38.797 38.487 0.011 0.000 1.076 3332 N HN -0.071 nan 8.380 nan 0.000 0.458 4002 I N 1.402 121.971 120.570 -0.001 0.000 2.494 4002 I HA 0.010 4.212 4.170 0.054 0.000 0.250 4002 I C 1.821 177.937 176.117 -0.001 0.000 1.112 4002 I CA 1.513 62.813 61.300 -0.001 0.000 1.438 4002 I CB -0.184 37.815 38.000 -0.001 0.000 1.111 4002 I HN 0.427 nan 8.210 nan 0.000 0.431 4003 D N 0.629 121.028 120.400 -0.002 0.000 2.348 4003 D HA -0.104 4.568 4.640 0.054 0.000 0.211 4003 D C 1.620 177.918 176.300 -0.002 0.000 0.998 4003 D CA 0.587 54.586 54.000 -0.003 0.000 0.873 4003 D CB -0.276 40.521 40.800 -0.004 0.000 0.925 4003 D HN 0.333 nan 8.370 nan 0.000 0.524 4004 E N 0.084 120.283 120.200 -0.002 0.000 2.158 4004 E HA -0.014 4.368 4.350 0.054 0.000 0.191 4004 E C 1.644 178.244 176.600 -0.000 0.000 0.982 4004 E CA 0.398 56.797 56.400 -0.001 0.000 0.823 4004 E CB 0.004 29.703 29.700 -0.001 0.000 0.766 4004 E HN 0.165 nan 8.360 nan 0.000 0.468 4005 N N 0.886 119.587 118.700 0.000 0.000 2.244 4005 N HA -0.122 4.650 4.740 0.054 0.000 0.183 4005 N C 1.390 176.901 175.510 0.001 0.000 1.016 4005 N CA 0.938 53.989 53.050 0.001 0.000 0.866 4005 N CB 0.057 38.545 38.487 0.002 0.000 0.980 4005 N HN 0.150 nan 8.380 nan 0.000 0.430 4006 K N 0.966 121.366 120.400 0.000 0.000 2.057 4006 K HA -0.085 4.267 4.320 0.054 0.000 0.207 4006 K C 2.054 178.654 176.600 0.000 0.000 1.049 4006 K CA 1.024 57.311 56.287 0.000 0.000 0.931 4006 K CB -0.059 32.441 32.500 -0.001 0.000 0.714 4006 K HN 0.290 nan 8.250 nan 0.000 0.440 4007 Q N 0.700 120.500 119.800 0.000 0.000 2.119 4007 Q HA -0.161 4.211 4.340 0.054 0.000 0.201 4007 Q C 2.114 178.115 176.000 0.002 0.000 0.972 4007 Q CA 1.174 56.977 55.803 0.000 0.000 0.847 4007 Q CB -0.048 28.689 28.738 -0.000 0.000 0.903 4007 Q HN 0.231 nan 8.270 nan 0.000 0.433 4008 K N 0.742 121.143 120.400 0.002 0.000 2.044 4008 K HA -0.195 4.158 4.320 0.054 0.000 0.210 4008 K C 1.918 178.520 176.600 0.003 0.000 1.049 4008 K CA 1.470 57.759 56.287 0.002 0.000 0.927 4008 K CB -0.131 32.370 32.500 0.002 0.000 0.713 4008 K HN 0.166 nan 8.250 nan 0.000 0.443 4009 A N 0.799 123.621 122.820 0.003 0.000 2.016 4009 A HA -0.026 4.327 4.320 0.054 0.000 0.217 4009 A C 1.964 179.551 177.584 0.006 0.000 1.162 4009 A CA 0.740 52.779 52.037 0.005 0.000 0.662 4009 A CB -0.373 18.630 19.000 0.004 0.000 0.812 4009 A HN 0.395 nan 8.150 nan 0.000 0.450 4010 L N -0.058 121.167 121.223 0.005 0.000 1.988 4010 L HA -0.033 4.340 4.340 0.054 0.000 0.207 4010 L C 2.676 179.550 176.870 0.008 0.000 1.071 4010 L CA 2.264 57.107 54.840 0.006 0.000 0.744 4010 L CB -0.680 41.382 42.059 0.003 0.000 0.893 4010 L HN 0.293 nan 8.230 nan 0.000 0.433 4011 A N -0.294 122.530 122.820 0.007 0.000 1.940 4011 A HA -0.194 4.158 4.320 0.054 0.000 0.219 4011 A C 2.445 180.034 177.584 0.009 0.000 1.176 4011 A CA 2.026 54.067 52.037 0.008 0.000 0.631 4011 A CB -1.314 17.689 19.000 0.005 0.000 0.814 4011 A HN 0.656 nan 8.150 nan 0.000 0.446 4012 A N -0.276 122.549 122.820 0.007 0.000 1.908 4012 A HA 0.117 4.469 4.320 0.054 0.000 0.218 4012 A C 2.496 180.086 177.584 0.011 0.000 1.181 4012 A CA 2.259 54.300 52.037 0.007 0.000 0.627 4012 A CB -0.946 18.057 19.000 0.006 0.000 0.818 4012 A HN 1.073 nan 8.150 nan 0.000 0.445 4013 A N -0.909 121.920 122.820 0.014 0.000 1.897 4013 A HA 0.112 4.464 4.320 0.054 0.000 0.215 4013 A C 2.031 179.633 177.584 0.030 0.000 1.181 4013 A CA 1.452 53.502 52.037 0.022 0.000 0.620 4013 A CB -0.529 18.483 19.000 0.020 0.000 0.821 4013 A HN 0.383 nan 8.150 nan 0.000 0.443 4014 L N 0.068 121.306 121.223 0.026 0.000 2.046 4014 L HA -0.088 4.285 4.340 0.054 0.000 0.208 4014 L C 2.729 179.618 176.870 0.032 0.000 1.077 4014 L CA 1.871 56.730 54.840 0.032 0.000 0.747 4014 L CB -0.914 41.159 42.059 0.024 0.000 0.896 4014 L HN 0.415 nan 8.230 nan 0.000 0.432 4015 G N -1.354 107.458 108.800 0.020 0.000 2.421 4015 G HA2 -0.353 3.640 3.960 0.054 0.000 0.216 4015 G HA3 -0.353 3.640 3.960 0.054 0.000 0.216 4015 G C 1.497 176.402 174.900 0.009 0.000 1.171 4015 G CA 0.893 46.001 45.100 0.013 0.000 0.775 4015 G HN 0.430 nan 8.290 nan 0.000 0.543 4016 Q N 0.634 120.440 119.800 0.009 0.000 2.096 4016 Q HA -0.071 4.301 4.340 0.054 0.000 0.204 4016 Q C 2.310 178.309 176.000 -0.001 0.000 0.982 4016 Q CA 1.586 57.387 55.803 -0.003 0.000 0.850 4016 Q CB -0.491 28.250 28.738 0.004 0.000 0.901 4016 Q HN 0.539 nan 8.270 nan 0.000 0.422 4017 I N 0.377 120.981 120.570 0.056 0.000 2.179 4017 I HA -0.234 3.968 4.170 0.054 0.000 0.242 4017 I C 2.336 178.534 176.117 0.136 0.000 1.088 4017 I CA 1.626 63.016 61.300 0.151 0.000 1.357 4017 I CB -0.355 37.750 38.000 0.176 0.000 1.051 4017 I HN 0.333 nan 8.210 nan 0.000 0.409 4018 E N 0.622 120.871 120.200 0.081 0.000 2.106 4018 E HA -0.235 4.147 4.350 0.054 0.000 0.192 4018 E C 2.093 178.704 176.600 0.018 0.000 0.984 4018 E CA 0.852 57.292 56.400 0.067 0.000 0.806 4018 E CB -0.067 29.662 29.700 0.047 0.000 0.750 4018 E HN 0.378 nan 8.360 nan 0.000 0.458 4019 K N 0.678 121.067 120.400 -0.019 0.000 2.211 4019 K HA -0.120 4.233 4.320 0.054 0.000 0.203 4019 K C 2.082 178.607 176.600 -0.125 0.000 1.050 4019 K CA 0.822 57.077 56.287 -0.053 0.000 0.945 4019 K CB 0.200 32.670 32.500 -0.049 0.000 0.732 4019 K HN 0.095 nan 8.250 nan 0.000 0.451 4020 Q N -1.147 118.520 119.800 -0.223 0.000 2.165 4020 Q HA -0.014 4.358 4.340 0.054 0.000 0.197 4020 Q C 0.475 176.099 176.000 -0.626 0.000 0.952 4020 Q CA 0.903 56.389 55.803 -0.529 0.000 0.848 4020 Q CB 0.398 28.613 28.738 -0.870 0.000 0.931 4020 Q HN 0.221 nan 8.270 nan 0.000 0.470 4021 F N -0.336 119.619 119.950 0.008 0.000 2.735 4021 F HA 0.379 4.938 4.527 0.054 0.000 0.304 4021 F C 0.752 176.560 175.800 0.013 0.000 1.119 4021 F CA 0.223 58.229 58.000 0.010 0.000 1.280 4021 F CB 0.974 39.981 39.000 0.011 0.000 0.994 4021 F HN 0.034 nan 8.300 nan 0.000 0.520 4022 G N 0.431 109.296 108.800 0.107 0.000 2.710 4022 G HA2 -0.204 3.789 3.960 0.054 0.000 0.668 4022 G HA3 -0.204 3.789 3.960 0.054 0.000 0.668 4022 G C 0.777 175.719 174.900 0.070 0.000 1.320 4022 G CA -0.599 44.547 45.100 0.076 0.000 0.860 4022 G HN -0.008 nan 8.290 nan 0.000 0.538 4023 K N 0.093 120.523 120.400 0.051 0.000 1.976 4023 K HA -0.187 4.165 4.320 0.054 0.000 0.233 4023 K C 1.967 178.595 176.600 0.047 0.000 1.012 4023 K CA 2.168 58.479 56.287 0.041 0.000 1.049 4023 K CB -0.963 31.558 32.500 0.034 0.000 0.722 4023 K HN 1.509 nan 8.250 nan 0.000 0.465 4024 G N 0.987 109.816 108.800 0.049 0.000 4.420 4024 G HA2 0.204 4.196 3.960 0.054 0.000 0.299 4024 G HA3 0.204 4.196 3.960 0.054 0.000 0.299 4024 G C 0.879 175.811 174.900 0.054 0.000 1.343 4024 G CA 0.092 45.219 45.100 0.046 0.000 1.272 4024 G HN 0.325 nan 8.290 nan 0.000 0.610 4025 S N -0.070 115.674 115.700 0.073 0.000 2.423 4025 S HA 0.118 4.621 4.470 0.054 0.000 0.231 4025 S C 0.803 175.432 174.600 0.049 0.000 1.014 4025 S CA 0.318 58.564 58.200 0.077 0.000 0.965 4025 S CB 0.340 63.626 63.200 0.144 0.000 0.785 4025 S HN 0.442 nan 8.310 nan 0.000 0.495 4026 I N 1.320 121.921 120.570 0.052 0.000 2.607 4026 I HA 0.592 4.795 4.170 0.054 0.000 0.290 4026 I C -1.265 174.871 176.117 0.032 0.000 1.129 4026 I CA -1.292 60.029 61.300 0.036 0.000 1.042 4026 I CB 1.898 39.919 38.000 0.037 0.000 1.242 4026 I HN 0.376 nan 8.210 nan 0.000 0.421 4027 M N 4.376 123.991 119.600 0.025 0.000 2.880 4027 M HA 0.588 5.100 4.480 0.054 0.000 0.269 4027 M C -1.273 175.035 176.300 0.015 0.000 1.248 4027 M CA -1.087 54.225 55.300 0.020 0.000 0.821 4027 M CB 1.472 34.083 32.600 0.019 0.000 1.650 4027 M HN 0.297 nan 8.290 nan 0.000 0.479 4028 R N 1.128 121.634 120.500 0.009 0.000 2.442 4028 R HA 0.302 4.674 4.340 0.054 0.000 0.291 4028 R C 0.960 177.259 176.300 -0.002 0.000 1.069 4028 R CA -0.167 55.935 56.100 0.003 0.000 1.022 4028 R CB 0.369 30.669 30.300 -0.000 0.000 0.976 4028 R HN 0.706 nan 8.270 nan 0.000 0.443 4029 L N 2.296 123.514 121.223 -0.009 0.000 2.043 4029 L HA -0.183 4.189 4.340 0.054 0.000 0.212 4029 L C 1.798 178.656 176.870 -0.019 0.000 1.075 4029 L CA 2.192 57.019 54.840 -0.020 0.000 0.752 4029 L CB -0.498 41.534 42.059 -0.045 0.000 0.891 4029 L HN 0.994 nan 8.230 nan 0.000 0.432 4030 G N -0.290 108.499 108.800 -0.019 0.000 2.479 4030 G HA2 -0.260 3.732 3.960 0.054 0.000 0.220 4030 G HA3 -0.260 3.732 3.960 0.054 0.000 0.220 4030 G C 1.186 176.080 174.900 -0.009 0.000 1.115 4030 G CA 0.869 45.960 45.100 -0.016 0.000 0.757 4030 G HN 0.724 nan 8.290 nan 0.000 0.560 4031 E N -0.306 119.891 120.200 -0.005 0.000 2.498 4031 E HA 0.090 4.472 4.350 0.054 0.000 0.203 4031 E C -0.304 176.298 176.600 0.003 0.000 1.013 4031 E CA -0.437 55.963 56.400 -0.000 0.000 0.927 4031 E CB 0.240 29.941 29.700 0.001 0.000 1.012 4031 E HN 0.135 nan 8.360 nan 0.000 0.482 4032 D N 1.795 122.197 120.400 0.003 0.000 2.344 4032 D HA 0.045 4.717 4.640 0.054 0.000 0.253 4032 D C 0.723 177.028 176.300 0.008 0.000 1.255 4032 D CA -0.142 53.862 54.000 0.008 0.000 0.894 4032 D CB 0.796 41.601 40.800 0.009 0.000 1.067 4032 D HN -0.059 nan 8.370 nan 0.000 0.492 4033 R N 1.678 122.185 120.500 0.011 0.000 2.090 4033 R HA -0.078 4.294 4.340 0.054 0.000 0.228 4033 R C 1.909 178.217 176.300 0.014 0.000 1.110 4033 R CA 0.761 56.867 56.100 0.010 0.000 0.973 4033 R CB -0.907 29.399 30.300 0.010 0.000 0.869 4033 R HN 0.485 nan 8.270 nan 0.000 0.440 4034 S N -0.388 115.324 115.700 0.020 0.000 2.595 4034 S HA -0.063 4.440 4.470 0.054 0.000 0.235 4034 S C 1.647 176.266 174.600 0.031 0.000 0.974 4034 S CA 0.613 58.829 58.200 0.028 0.000 0.942 4034 S CB -0.035 63.187 63.200 0.036 0.000 0.766 4034 S HN 0.088 nan 8.310 nan 0.000 0.536 4035 M N 1.648 121.261 119.600 0.022 0.000 2.465 4035 M HA 0.289 4.801 4.480 0.054 0.000 0.249 4035 M C -0.713 175.594 176.300 0.013 0.000 1.130 4035 M CA 0.124 55.436 55.300 0.019 0.000 1.067 4035 M CB 0.213 32.816 32.600 0.006 0.000 1.394 4035 M HN 0.008 nan 8.290 nan 0.000 0.483 4036 D N 1.150 121.557 120.400 0.011 0.000 2.417 4036 D HA 0.060 4.732 4.640 0.054 0.000 0.250 4036 D C -0.399 175.907 176.300 0.010 0.000 1.166 4036 D CA 0.187 54.192 54.000 0.008 0.000 0.881 4036 D CB 0.927 41.731 40.800 0.007 0.000 1.164 4036 D HN -0.091 nan 8.370 nan 0.000 0.467 4037 V N 3.274 123.192 119.914 0.007 0.000 2.479 4037 V HA 0.013 4.165 4.120 0.054 0.000 0.281 4037 V C 0.722 176.818 176.094 0.003 0.000 1.031 4037 V CA 0.250 62.554 62.300 0.005 0.000 1.038 4037 V CB 0.694 32.517 31.823 0.000 0.000 0.981 4037 V HN 0.447 nan 8.190 nan 0.000 0.478 4038 E N 3.778 123.979 120.200 0.002 0.000 2.199 4038 E HA 0.577 4.959 4.350 0.054 0.000 0.269 4038 E C -0.537 176.059 176.600 -0.006 0.000 0.899 4038 E CA -0.523 55.876 56.400 -0.002 0.000 0.772 4038 E CB 2.109 31.808 29.700 -0.001 0.000 1.155 4038 E HN 0.799 nan 8.360 nan 0.000 0.408 4039 T N 1.174 115.723 114.554 -0.009 0.000 2.942 4039 T HA 0.619 5.001 4.350 0.054 0.000 0.289 4039 T C -0.211 174.478 174.700 -0.018 0.000 1.044 4039 T CA -0.858 61.233 62.100 -0.014 0.000 1.023 4039 T CB 1.092 69.951 68.868 -0.014 0.000 1.123 4039 T HN 0.280 nan 8.240 nan 0.000 0.512 4040 I N 1.764 122.320 120.570 -0.023 0.000 2.509 4040 I HA 0.415 4.617 4.170 0.054 0.000 0.293 4040 I C 0.729 176.824 176.117 -0.036 0.000 1.020 4040 I CA -0.715 60.566 61.300 -0.032 0.000 1.088 4040 I CB 1.808 39.788 38.000 -0.034 0.000 1.267 4040 I HN 0.956 nan 8.210 nan 0.000 0.430 4041 S N 2.832 118.504 115.700 -0.046 0.000 2.568 4041 S HA 0.067 4.570 4.470 0.054 0.000 0.282 4041 S C 1.343 175.906 174.600 -0.061 0.000 1.338 4041 S CA 0.354 58.524 58.200 -0.051 0.000 1.045 4041 S CB 0.436 63.589 63.200 -0.078 0.000 0.873 4041 S HN 0.794 nan 8.310 nan 0.000 0.516 4042 T N 1.415 115.936 114.554 -0.055 0.000 3.081 4042 T HA 0.356 4.738 4.350 0.054 0.000 0.255 4042 T C 1.521 176.159 174.700 -0.103 0.000 1.113 4042 T CA 0.652 62.712 62.100 -0.066 0.000 1.082 4042 T CB -0.310 68.523 68.868 -0.057 0.000 0.939 4042 T HN 1.609 nan 8.240 nan 0.000 0.506 4043 G N 0.818 109.548 108.800 -0.116 0.000 2.234 4043 G HA2 -0.236 3.756 3.960 0.054 0.000 0.235 4043 G HA3 -0.236 3.756 3.960 0.054 0.000 0.235 4043 G C 0.239 175.085 174.900 -0.090 0.000 0.997 4043 G CA 0.178 45.182 45.100 -0.161 0.000 0.623 4043 G HN 1.046 nan 8.290 nan 0.000 0.514 4044 S N 0.055 115.663 115.700 -0.153 0.000 2.437 4044 S HA 0.629 5.131 4.470 0.054 0.000 0.305 4044 S C 1.241 175.809 174.600 -0.054 0.000 1.109 4044 S CA 0.102 58.159 58.200 -0.237 0.000 1.099 4044 S CB 1.512 64.297 63.200 -0.691 0.000 1.004 4044 S HN 1.028 nan 8.310 nan 0.000 0.475 4045 L N 5.854 127.027 121.223 -0.084 0.000 2.027 4045 L HA 0.022 4.394 4.340 0.054 0.000 0.206 4045 L C 2.571 179.392 176.870 -0.082 0.000 1.074 4045 L CA 2.704 57.470 54.840 -0.123 0.000 0.745 4045 L CB -1.013 40.753 42.059 -0.489 0.000 0.898 4045 L HN 0.898 nan 8.230 nan 0.000 0.433 4046 S N -1.066 114.588 115.700 -0.076 0.000 2.423 4046 S HA -0.192 4.310 4.470 0.054 0.000 0.231 4046 S C 2.100 176.723 174.600 0.039 0.000 1.014 4046 S CA 1.338 59.539 58.200 0.002 0.000 0.965 4046 S CB -0.960 62.273 63.200 0.055 0.000 0.785 4046 S HN 0.513 nan 8.310 nan 0.000 0.495 4047 L N 1.369 122.616 121.223 0.039 0.000 2.044 4047 L HA -0.093 4.279 4.340 0.054 0.000 0.205 4047 L C 1.982 178.858 176.870 0.011 0.000 1.075 4047 L CA 1.912 56.781 54.840 0.048 0.000 0.747 4047 L CB -0.614 41.469 42.059 0.040 0.000 0.903 4047 L HN 0.238 nan 8.230 nan 0.000 0.435 4048 D N 0.131 120.529 120.400 -0.003 0.000 2.182 4048 D HA -0.203 4.470 4.640 0.054 0.000 0.201 4048 D C 2.134 178.434 176.300 -0.000 0.000 0.986 4048 D CA 1.366 55.366 54.000 -0.001 0.000 0.847 4048 D CB -0.053 40.754 40.800 0.012 0.000 0.942 4048 D HN 0.396 nan 8.370 nan 0.000 0.467 4049 I N 0.940 121.510 120.570 0.002 0.000 2.233 4049 I HA -0.191 4.011 4.170 0.054 0.000 0.243 4049 I C 2.513 178.634 176.117 0.006 0.000 1.093 4049 I CA 0.915 62.217 61.300 0.004 0.000 1.380 4049 I CB -0.245 37.757 38.000 0.003 0.000 1.067 4049 I HN -0.097 nan 8.210 nan 0.000 0.413 4050 A N 0.851 123.678 122.820 0.012 0.000 1.948 4050 A HA -0.189 4.163 4.320 0.054 0.000 0.220 4050 A C 2.266 179.842 177.584 -0.014 0.000 1.177 4050 A CA 1.548 53.591 52.037 0.010 0.000 0.636 4050 A CB -0.997 18.017 19.000 0.024 0.000 0.815 4050 A HN 0.424 nan 8.150 nan 0.000 0.449 4051 L N -1.546 119.666 121.223 -0.019 0.000 2.456 4051 L HA 0.009 4.382 4.340 0.054 0.000 0.224 4051 L C 2.169 179.012 176.870 -0.045 0.000 1.148 4051 L CA 0.675 55.490 54.840 -0.041 0.000 0.825 4051 L CB -0.373 41.666 42.059 -0.033 0.000 0.937 4051 L HN 0.666 nan 8.230 nan 0.000 0.450 4052 G N -0.262 108.523 108.800 -0.026 0.000 2.990 4052 G HA2 -0.439 3.553 3.960 0.054 0.000 0.225 4052 G HA3 -0.439 3.553 3.960 0.054 0.000 0.225 4052 G C 1.028 175.920 174.900 -0.013 0.000 1.304 4052 G CA 0.453 45.541 45.100 -0.020 0.000 0.816 4052 G HN 0.466 nan 8.290 nan 0.000 0.528 4053 A N 0.638 123.445 122.820 -0.022 0.000 2.275 4053 A HA 0.583 4.935 4.320 0.054 0.000 0.212 4053 A C 2.430 180.008 177.584 -0.009 0.000 1.201 4053 A CA 1.752 53.780 52.037 -0.015 0.000 0.843 4053 A CB -0.534 18.453 19.000 -0.022 0.000 0.873 4053 A HN 2.631 nan 8.150 nan 0.000 0.492 4054 G N -2.628 106.167 108.800 -0.008 0.000 2.141 4054 G HA2 0.279 4.272 3.960 0.054 0.000 0.242 4054 G HA3 0.279 4.272 3.960 0.054 0.000 0.242 4054 G C 0.862 175.758 174.900 -0.006 0.000 0.982 4054 G CA 0.333 45.431 45.100 -0.002 0.000 0.662 4054 G HN 2.189 nan 8.290 nan 0.000 0.527 4055 G N -1.587 107.205 108.800 -0.015 0.000 2.341 4055 G HA2 0.508 4.500 3.960 0.054 0.000 0.293 4055 G HA3 0.508 4.500 3.960 0.054 0.000 0.293 4055 G C -0.669 174.216 174.900 -0.024 0.000 1.298 4055 G CA -0.496 44.592 45.100 -0.019 0.000 0.868 4055 G HN 0.884 nan 8.290 nan 0.000 0.540 4056 L N 1.793 123.001 121.223 -0.025 0.000 2.397 4056 L HA 0.417 4.789 4.340 0.054 0.000 0.271 4056 L C -1.777 175.082 176.870 -0.019 0.000 1.148 4056 L CA -1.574 53.252 54.840 -0.023 0.000 0.825 4056 L CB 1.246 43.292 42.059 -0.022 0.000 1.117 4056 L HN 0.316 nan 8.230 nan 0.000 0.456 4057 P HA 0.199 nan 4.420 nan 0.000 0.290 4057 P C -0.817 176.481 177.300 -0.004 0.000 1.276 4057 P CA -0.601 62.493 63.100 -0.009 0.000 0.808 4057 P CB 0.994 32.689 31.700 -0.008 0.000 0.966 4058 M N 1.794 121.393 119.600 -0.003 0.000 2.238 4058 M HA 0.247 4.759 4.480 0.054 0.000 0.347 4058 M C 1.567 177.872 176.300 0.009 0.000 1.173 4058 M CA 0.724 56.023 55.300 -0.002 0.000 1.147 4058 M CB -0.558 32.040 32.600 -0.004 0.000 1.547 4058 M HN 0.846 nan 8.290 nan 0.000 0.455 4059 G N 2.418 111.223 108.800 0.007 0.000 2.162 4059 G HA2 -0.203 3.789 3.960 0.054 0.000 0.260 4059 G HA3 -0.203 3.789 3.960 0.054 0.000 0.260 4059 G C 0.186 175.106 174.900 0.035 0.000 0.976 4059 G CA -0.064 45.046 45.100 0.017 0.000 0.655 4059 G HN 0.545 nan 8.290 nan 0.000 0.533 4060 R N -0.642 119.878 120.500 0.033 0.000 2.902 4060 R HA 0.770 5.143 4.340 0.054 0.000 0.258 4060 R C 0.258 176.594 176.300 0.061 0.000 1.071 4060 R CA -1.177 54.957 56.100 0.057 0.000 1.024 4060 R CB 0.803 31.131 30.300 0.047 0.000 1.184 4060 R HN 0.225 nan 8.270 nan 0.000 0.492 4061 I N 0.717 121.351 120.570 0.107 0.000 2.385 4061 I HA 0.354 4.556 4.170 0.054 0.000 0.294 4061 I C -0.224 175.973 176.117 0.133 0.000 0.988 4061 I CA -0.812 60.577 61.300 0.147 0.000 1.265 4061 I CB 1.710 39.856 38.000 0.244 0.000 1.388 4061 I HN -0.036 nan 8.210 nan 0.000 0.480 4062 V N 5.328 125.319 119.914 0.129 0.000 2.789 4062 V HA 0.390 4.542 4.120 0.054 0.000 0.311 4062 V C -0.513 175.675 176.094 0.157 0.000 1.073 4062 V CA -0.648 61.712 62.300 0.099 0.000 0.921 4062 V CB 2.156 34.002 31.823 0.038 0.000 1.009 4062 V HN 0.743 nan 8.190 nan 0.000 0.426 4063 E N 3.707 123.990 120.200 0.138 0.000 2.210 4063 E HA 0.648 5.030 4.350 0.054 0.000 0.266 4063 E C -1.652 175.009 176.600 0.101 0.000 0.883 4063 E CA -0.628 55.876 56.400 0.174 0.000 0.761 4063 E CB 1.784 31.602 29.700 0.198 0.000 1.156 4063 E HN 0.632 nan 8.360 nan 0.000 0.412 4064 I N 5.381 126.011 120.570 0.100 0.000 2.389 4064 I HA 0.332 4.535 4.170 0.054 0.000 0.288 4064 I C -0.872 175.303 176.117 0.096 0.000 0.999 4064 I CA -0.914 60.397 61.300 0.019 0.000 1.129 4064 I CB 0.777 38.791 38.000 0.025 0.000 1.288 4064 I HN 0.467 nan 8.210 nan 0.000 0.444 4065 Y N 4.087 124.417 120.300 0.050 0.000 2.602 4065 Y HA 1.015 5.598 4.550 0.054 0.000 0.342 4065 Y C -0.125 175.799 175.900 0.041 0.000 1.029 4065 Y CA -1.366 56.760 58.100 0.044 0.000 1.080 4065 Y CB 1.802 40.281 38.460 0.032 0.000 1.284 4065 Y HN 0.684 nan 8.280 nan 0.000 0.485 4066 G N 0.445 109.424 108.800 0.299 0.000 2.316 4066 G HA2 0.445 4.437 3.960 0.054 0.000 0.296 4066 G HA3 0.445 4.437 3.960 0.054 0.000 0.296 4066 G C -3.544 171.442 174.900 0.143 0.000 1.399 4066 G CA -1.308 43.905 45.100 0.189 0.000 0.833 4066 G HN 0.513 nan 8.290 nan 0.000 0.565 4067 P HA 0.319 nan 4.420 nan 0.000 0.274 4067 P C -0.289 177.049 177.300 0.063 0.000 1.260 4067 P CA -0.307 62.836 63.100 0.072 0.000 0.793 4067 P CB 0.264 31.998 31.700 0.055 0.000 1.048 4068 E N -0.606 119.624 120.200 0.049 0.000 2.413 4068 E HA 0.171 4.554 4.350 0.054 0.000 0.263 4068 E C 0.104 176.728 176.600 0.040 0.000 1.015 4068 E CA -0.142 56.283 56.400 0.043 0.000 0.916 4068 E CB -0.682 29.036 29.700 0.029 0.000 0.947 4068 E HN 0.280 nan 8.360 nan 0.000 0.440 4069 S N 0.550 116.275 115.700 0.040 0.000 3.533 4069 S HA -0.227 4.275 4.470 0.054 0.000 0.347 4069 S C 0.983 175.622 174.600 0.064 0.000 1.101 4069 S CA 0.984 59.208 58.200 0.040 0.000 1.009 4069 S CB -1.773 61.435 63.200 0.012 0.000 0.916 4069 S HN 0.731 nan 8.310 nan 0.000 0.496 4070 S N -0.309 115.432 115.700 0.068 0.000 2.478 4070 S HA 0.430 4.933 4.470 0.054 0.000 0.222 4070 S C 1.543 176.194 174.600 0.085 0.000 1.008 4070 S CA 0.818 59.057 58.200 0.065 0.000 0.928 4070 S CB 0.488 63.720 63.200 0.052 0.000 0.781 4070 S HN 1.934 nan 8.310 nan 0.000 0.518 4071 G N 1.104 109.970 108.800 0.110 0.000 2.155 4071 G HA2 -0.151 3.842 3.960 0.054 0.000 0.130 4071 G HA3 -0.151 3.842 3.960 0.054 0.000 0.130 4071 G C 0.585 175.572 174.900 0.145 0.000 1.027 4071 G CA 0.071 45.261 45.100 0.149 0.000 0.705 4071 G HN 0.413 nan 8.290 nan 0.000 0.496 4072 K N 0.027 120.500 120.400 0.121 0.000 2.002 4072 K HA -0.068 4.284 4.320 0.054 0.000 0.209 4072 K C 2.567 179.250 176.600 0.137 0.000 1.048 4072 K CA 2.016 58.373 56.287 0.115 0.000 0.930 4072 K CB -0.379 32.185 32.500 0.106 0.000 0.714 4072 K HN 0.299 nan 8.250 nan 0.000 0.438 4073 T N 0.854 115.503 114.554 0.158 0.000 2.674 4073 T HA -0.145 4.237 4.350 0.054 0.000 0.265 4073 T C 2.047 176.858 174.700 0.186 0.000 1.039 4073 T CA 1.879 64.101 62.100 0.204 0.000 1.150 4073 T CB -0.562 68.431 68.868 0.209 0.000 0.864 4073 T HN 0.259 nan 8.240 nan 0.000 0.427 4074 T N 2.370 117.036 114.554 0.186 0.000 2.624 4074 T HA -0.111 4.272 4.350 0.054 0.000 0.268 4074 T C 1.933 176.704 174.700 0.118 0.000 1.041 4074 T CA 1.363 63.571 62.100 0.181 0.000 1.159 4074 T CB -0.639 68.370 68.868 0.235 0.000 0.863 4074 T HN 0.198 nan 8.240 nan 0.000 0.434 4075 L N 0.297 121.596 121.223 0.126 0.000 1.989 4075 L HA -0.175 4.197 4.340 0.054 0.000 0.211 4075 L C 2.718 179.623 176.870 0.057 0.000 1.071 4075 L CA 1.779 56.669 54.840 0.084 0.000 0.749 4075 L CB -0.877 41.251 42.059 0.116 0.000 0.890 4075 L HN 0.245 nan 8.230 nan 0.000 0.431 4076 T N 0.131 114.739 114.554 0.090 0.000 2.620 4076 T HA -0.293 4.090 4.350 0.054 0.000 0.267 4076 T C 1.800 176.558 174.700 0.098 0.000 1.044 4076 T CA 2.317 64.477 62.100 0.101 0.000 1.161 4076 T CB -0.406 68.561 68.868 0.164 0.000 0.862 4076 T HN 0.306 nan 8.240 nan 0.000 0.438 4077 L N 0.702 121.985 121.223 0.100 0.000 2.083 4077 L HA -0.126 4.246 4.340 0.054 0.000 0.209 4077 L C 3.028 179.885 176.870 -0.021 0.000 1.083 4077 L CA 1.087 55.946 54.840 0.031 0.000 0.752 4077 L CB -0.549 41.497 42.059 -0.022 0.000 0.899 4077 L HN 0.244 nan 8.230 nan 0.000 0.433 4078 Q N -0.303 119.480 119.800 -0.029 0.000 2.084 4078 Q HA -0.194 4.178 4.340 0.054 0.000 0.202 4078 Q C 2.474 178.428 176.000 -0.078 0.000 0.978 4078 Q CA 1.996 57.756 55.803 -0.072 0.000 0.844 4078 Q CB -0.703 27.985 28.738 -0.084 0.000 0.898 4078 Q HN 0.581 nan 8.270 nan 0.000 0.426 4079 V N -0.686 119.198 119.914 -0.049 0.000 2.358 4079 V HA -0.206 3.947 4.120 0.054 0.000 0.246 4079 V C 2.125 178.192 176.094 -0.045 0.000 1.047 4079 V CA 1.254 63.524 62.300 -0.051 0.000 1.035 4079 V CB -0.555 31.248 31.823 -0.034 0.000 0.658 4079 V HN 0.225 nan 8.190 nan 0.000 0.452 4080 I N 1.162 121.720 120.570 -0.020 0.000 2.127 4080 I HA -0.218 3.985 4.170 0.054 0.000 0.241 4080 I C 3.011 179.101 176.117 -0.046 0.000 1.075 4080 I CA 1.943 63.233 61.300 -0.016 0.000 1.334 4080 I CB -0.840 37.172 38.000 0.021 0.000 1.040 4080 I HN 0.440 nan 8.210 nan 0.000 0.405 4081 A N 0.738 123.519 122.820 -0.064 0.000 1.892 4081 A HA -0.272 4.080 4.320 0.054 0.000 0.218 4081 A C 2.533 180.059 177.584 -0.097 0.000 1.188 4081 A CA 2.314 54.300 52.037 -0.085 0.000 0.631 4081 A CB -1.046 17.891 19.000 -0.105 0.000 0.822 4081 A HN 0.475 nan 8.150 nan 0.000 0.447 4082 A N -0.412 122.341 122.820 -0.112 0.000 1.902 4082 A HA 0.151 4.503 4.320 0.054 0.000 0.217 4082 A C 2.517 180.044 177.584 -0.095 0.000 1.181 4082 A CA 2.232 54.191 52.037 -0.129 0.000 0.623 4082 A CB -1.023 17.888 19.000 -0.149 0.000 0.818 4082 A HN 1.134 nan 8.150 nan 0.000 0.443 4083 A N -0.842 121.934 122.820 -0.073 0.000 1.898 4083 A HA -0.190 4.162 4.320 0.054 0.000 0.216 4083 A C 2.121 179.675 177.584 -0.051 0.000 1.181 4083 A CA 1.587 53.590 52.037 -0.056 0.000 0.620 4083 A CB -0.532 18.442 19.000 -0.043 0.000 0.819 4083 A HN 0.649 nan 8.150 nan 0.000 0.442 4084 Q N -1.203 118.566 119.800 -0.052 0.000 2.119 4084 Q HA -0.145 4.227 4.340 0.054 0.000 0.201 4084 Q C 2.227 178.196 176.000 -0.053 0.000 0.972 4084 Q CA 1.330 57.105 55.803 -0.047 0.000 0.847 4084 Q CB -0.134 28.575 28.738 -0.047 0.000 0.903 4084 Q HN 0.541 nan 8.270 nan 0.000 0.433 4085 R N 1.104 121.565 120.500 -0.066 0.000 2.249 4085 R HA -0.128 4.245 4.340 0.054 0.000 0.230 4085 R C 0.448 176.712 176.300 -0.060 0.000 1.121 4085 R CA 1.070 57.128 56.100 -0.070 0.000 0.997 4085 R CB 0.202 30.445 30.300 -0.095 0.000 0.867 4085 R HN 0.250 nan 8.270 nan 0.000 0.465 4086 E N -1.635 118.532 120.200 -0.055 0.000 2.685 4086 E HA 0.198 4.580 4.350 0.054 0.000 0.208 4086 E C 0.143 176.722 176.600 -0.036 0.000 0.996 4086 E CA 0.268 56.641 56.400 -0.045 0.000 1.054 4086 E CB 1.109 30.781 29.700 -0.046 0.000 1.075 4086 E HN 0.391 nan 8.360 nan 0.000 0.460 4087 G N 2.264 111.044 108.800 -0.035 0.000 2.179 4087 G HA2 -0.326 3.666 3.960 0.054 0.000 0.257 4087 G HA3 -0.326 3.666 3.960 0.054 0.000 0.257 4087 G C 0.070 174.954 174.900 -0.026 0.000 1.010 4087 G CA 0.314 45.397 45.100 -0.028 0.000 0.736 4087 G HN 0.159 nan 8.290 nan 0.000 0.513 4088 K N 0.442 120.825 120.400 -0.029 0.000 2.118 4088 K HA 0.502 4.854 4.320 0.054 0.000 0.267 4088 K C 0.137 176.722 176.600 -0.024 0.000 0.991 4088 K CA -0.289 55.983 56.287 -0.026 0.000 0.916 4088 K CB 1.009 33.492 32.500 -0.028 0.000 1.041 4088 K HN 0.118 nan 8.250 nan 0.000 0.455 4089 T N 1.767 116.309 114.554 -0.021 0.000 2.806 4089 T HA 0.287 4.669 4.350 0.054 0.000 0.290 4089 T C -0.264 174.426 174.700 -0.017 0.000 0.966 4089 T CA -0.512 61.577 62.100 -0.018 0.000 1.060 4089 T CB 0.255 69.114 68.868 -0.016 0.000 0.927 4089 T HN 0.533 nan 8.240 nan 0.000 0.485 4090 C N 2.408 121.701 119.300 -0.010 0.000 2.634 4090 C HA 0.943 5.436 4.460 0.054 0.000 0.313 4090 C C 0.372 175.369 174.990 0.013 0.000 1.198 4090 C CA -1.005 58.012 59.018 -0.002 0.000 1.605 4090 C CB 0.867 28.612 27.740 0.007 0.000 2.196 4090 C HN 1.050 nan 8.230 nan 0.000 0.486 4091 A N 1.440 124.267 122.820 0.012 0.000 2.365 4091 A HA 0.864 5.217 4.320 0.054 0.000 0.318 4091 A C -1.394 176.227 177.584 0.061 0.000 1.091 4091 A CA -0.265 51.788 52.037 0.026 0.000 0.763 4091 A CB 0.943 19.933 19.000 -0.017 0.000 1.248 4091 A HN 0.832 nan 8.150 nan 0.000 0.442 4092 F N 3.512 123.426 119.950 -0.060 0.000 2.460 4092 F HA 0.557 5.116 4.527 0.054 0.000 0.341 4092 F C -0.694 175.066 175.800 -0.067 0.000 1.130 4092 F CA -0.874 57.088 58.000 -0.063 0.000 0.962 4092 F CB 1.281 40.252 39.000 -0.049 0.000 1.171 4092 F HN 0.380 nan 8.300 nan 0.000 0.436 4093 I N 4.878 125.237 120.570 -0.351 0.000 2.287 4093 I HA 0.128 4.331 4.170 0.054 0.000 0.290 4093 I C -0.211 175.754 176.117 -0.254 0.000 1.069 4093 I CA -0.333 60.839 61.300 -0.212 0.000 1.237 4093 I CB 0.553 38.434 38.000 -0.199 0.000 1.418 4093 I HN 0.511 nan 8.210 nan 0.000 0.481 4094 D N 5.343 125.737 120.400 -0.009 0.000 2.631 4094 D HA 0.362 5.035 4.640 0.054 0.000 0.227 4094 D C 1.241 177.444 176.300 -0.162 0.000 1.146 4094 D CA -0.085 53.953 54.000 0.065 0.000 1.009 4094 D CB 0.840 41.771 40.800 0.220 0.000 1.057 4094 D HN 0.596 nan 8.370 nan 0.000 0.509 4095 A N 2.340 125.100 122.820 -0.100 0.000 2.066 4095 A HA -0.104 4.248 4.320 0.054 0.000 0.218 4095 A C 1.901 179.558 177.584 0.121 0.000 1.157 4095 A CA 0.743 52.761 52.037 -0.032 0.000 0.670 4095 A CB -0.204 18.811 19.000 0.025 0.000 0.804 4095 A HN 0.524 nan 8.150 nan 0.000 0.453 4096 E N -1.083 119.173 120.200 0.093 0.000 2.435 4096 E HA -0.074 4.308 4.350 0.054 0.000 0.195 4096 E C -0.500 176.238 176.600 0.230 0.000 1.029 4096 E CA -0.005 56.488 56.400 0.156 0.000 0.865 4096 E CB -0.125 29.646 29.700 0.119 0.000 0.833 4096 E HN 0.684 nan 8.360 nan 0.000 0.510 4097 H N -1.947 117.170 119.070 0.078 0.000 2.692 4097 H HA -0.208 4.380 4.556 0.054 0.000 0.316 4097 H C 0.018 175.378 175.328 0.054 0.000 1.176 4097 H CA 0.609 56.696 56.048 0.064 0.000 1.142 4097 H CB -1.360 28.427 29.762 0.042 0.000 1.475 4097 H HN 0.267 nan 8.280 nan 0.000 0.423 4098 A N 0.324 123.221 122.820 0.128 0.000 2.704 4098 A HA 0.219 4.571 4.320 0.054 0.000 0.260 4098 A C 0.454 178.067 177.584 0.049 0.000 1.144 4098 A CA -0.382 51.706 52.037 0.084 0.000 0.985 4098 A CB 0.733 19.780 19.000 0.079 0.000 1.256 4098 A HN 0.143 nan 8.150 nan 0.000 0.598 4099 L N 1.427 122.674 121.223 0.040 0.000 2.462 4099 L HA 0.404 4.776 4.340 0.054 0.000 0.272 4099 L C -0.533 176.312 176.870 -0.041 0.000 1.166 4099 L CA 0.237 55.051 54.840 -0.043 0.000 0.880 4099 L CB 0.506 42.463 42.059 -0.170 0.000 1.142 4099 L HN 0.219 nan 8.230 nan 0.000 0.473 4100 D N 7.280 127.665 120.400 -0.026 0.000 2.412 4100 D HA 0.320 4.992 4.640 0.054 0.000 0.224 4100 D C -1.767 174.534 176.300 0.001 0.000 1.093 4100 D CA -2.217 51.784 54.000 0.003 0.000 0.850 4100 D CB 1.491 42.306 40.800 0.025 0.000 1.046 4100 D HN 0.358 nan 8.370 nan 0.000 0.507 4101 P HA -0.168 nan 4.420 nan 0.000 0.215 4101 P C 1.649 178.936 177.300 -0.022 0.000 1.153 4101 P CA 0.670 63.740 63.100 -0.049 0.000 0.853 4101 P CB 0.523 32.198 31.700 -0.042 0.000 0.788 4102 I N -1.705 118.872 120.570 0.011 0.000 2.286 4102 I HA -0.238 3.964 4.170 0.054 0.000 0.248 4102 I C 2.673 178.823 176.117 0.055 0.000 1.115 4102 I CA 1.396 62.711 61.300 0.024 0.000 1.392 4102 I CB -1.093 36.926 38.000 0.033 0.000 1.065 4102 I HN -0.135 nan 8.210 nan 0.000 0.418 4103 Y N 1.014 121.287 120.300 -0.045 0.000 2.263 4103 Y HA -0.140 4.442 4.550 0.054 0.000 0.292 4103 Y C 2.436 178.307 175.900 -0.049 0.000 1.130 4103 Y CA 1.107 59.185 58.100 -0.037 0.000 1.179 4103 Y CB -0.478 37.962 38.460 -0.033 0.000 0.998 4103 Y HN 0.124 nan 8.280 nan 0.000 0.532 4104 A N 0.775 123.553 122.820 -0.069 0.000 1.908 4104 A HA -0.228 4.124 4.320 0.054 0.000 0.218 4104 A C 2.431 179.910 177.584 -0.175 0.000 1.181 4104 A CA 1.831 53.770 52.037 -0.164 0.000 0.627 4104 A CB -0.777 18.128 19.000 -0.159 0.000 0.818 4104 A HN 0.472 nan 8.150 nan 0.000 0.445 4105 R N -0.119 120.306 120.500 -0.124 0.000 2.081 4105 R HA -0.132 4.241 4.340 0.054 0.000 0.235 4105 R C 2.076 178.299 176.300 -0.129 0.000 1.131 4105 R CA 1.871 57.907 56.100 -0.105 0.000 0.960 4105 R CB -0.310 29.950 30.300 -0.066 0.000 0.856 4105 R HN 0.544 nan 8.270 nan 0.000 0.436 4106 K N 0.262 120.567 120.400 -0.159 0.000 2.152 4106 K HA -0.090 4.262 4.320 0.054 0.000 0.206 4106 K C 1.874 178.336 176.600 -0.230 0.000 1.048 4106 K CA 1.152 57.333 56.287 -0.176 0.000 0.933 4106 K CB -0.060 32.332 32.500 -0.180 0.000 0.721 4106 K HN 0.233 nan 8.250 nan 0.000 0.447 4107 L N -0.492 120.537 121.223 -0.324 0.000 2.610 4107 L HA 0.064 4.436 4.340 0.054 0.000 0.232 4107 L C 0.989 177.757 176.870 -0.171 0.000 1.149 4107 L CA 0.470 55.149 54.840 -0.269 0.000 0.872 4107 L CB -0.117 41.749 42.059 -0.322 0.000 0.992 4107 L HN 0.462 nan 8.230 nan 0.000 0.447 4108 G N 0.129 108.842 108.800 -0.146 0.000 2.131 4108 G HA2 -0.222 3.770 3.960 0.054 0.000 0.223 4108 G HA3 -0.222 3.770 3.960 0.054 0.000 0.223 4108 G C 0.091 174.929 174.900 -0.104 0.000 0.990 4108 G CA -0.143 44.890 45.100 -0.112 0.000 0.671 4108 G HN 0.086 nan 8.290 nan 0.000 0.521 4109 V N 1.060 120.907 119.914 -0.111 0.000 2.530 4109 V HA 0.377 4.529 4.120 0.054 0.000 0.282 4109 V C 0.657 176.703 176.094 -0.079 0.000 1.048 4109 V CA -0.144 62.099 62.300 -0.095 0.000 0.997 4109 V CB 1.697 33.456 31.823 -0.107 0.000 0.987 4109 V HN 0.373 nan 8.190 nan 0.000 0.477 4110 D N 4.596 124.956 120.400 -0.065 0.000 2.383 4110 D HA 0.091 4.763 4.640 0.054 0.000 0.245 4110 D C 1.076 177.345 176.300 -0.051 0.000 1.263 4110 D CA -0.266 53.702 54.000 -0.054 0.000 0.936 4110 D CB 0.476 41.248 40.800 -0.046 0.000 1.053 4110 D HN 0.281 nan 8.370 nan 0.000 0.507 4111 I N 2.659 123.197 120.570 -0.054 0.000 2.208 4111 I HA -0.218 3.985 4.170 0.054 0.000 0.245 4111 I C 1.491 177.585 176.117 -0.039 0.000 1.097 4111 I CA 1.004 62.272 61.300 -0.054 0.000 1.363 4111 I CB -0.665 37.303 38.000 -0.053 0.000 1.051 4111 I HN 0.404 nan 8.210 nan 0.000 0.413 4112 D N 0.698 121.079 120.400 -0.033 0.000 2.310 4112 D HA -0.116 4.557 4.640 0.054 0.000 0.212 4112 D C 1.446 177.733 176.300 -0.022 0.000 0.965 4112 D CA 0.782 54.767 54.000 -0.025 0.000 0.879 4112 D CB -0.099 40.687 40.800 -0.023 0.000 0.921 4112 D HN 0.405 nan 8.370 nan 0.000 0.510 4113 N N -0.153 118.533 118.700 -0.024 0.000 2.181 4113 N HA 0.024 4.797 4.740 0.054 0.000 0.207 4113 N C 0.281 175.782 175.510 -0.016 0.000 1.182 4113 N CA -0.215 52.823 53.050 -0.019 0.000 0.893 4113 N CB 1.322 39.797 38.487 -0.021 0.000 1.032 4113 N HN 0.150 nan 8.380 nan 0.000 0.513 4114 L N 2.861 124.072 121.223 -0.019 0.000 2.407 4114 L HA 0.257 4.629 4.340 0.054 0.000 0.282 4114 L C -0.212 176.660 176.870 0.004 0.000 1.110 4114 L CA -0.040 54.795 54.840 -0.008 0.000 0.863 4114 L CB -0.095 41.949 42.059 -0.025 0.000 1.207 4114 L HN -0.005 nan 8.230 nan 0.000 0.454 4115 L N 5.377 126.609 121.223 0.015 0.000 2.490 4115 L HA 0.070 4.442 4.340 0.054 0.000 0.274 4115 L C 0.108 177.007 176.870 0.049 0.000 1.201 4115 L CA 0.313 55.165 54.840 0.020 0.000 0.869 4115 L CB 0.852 42.918 42.059 0.011 0.000 1.123 4115 L HN 0.705 nan 8.230 nan 0.000 0.484 4116 C N 3.150 122.476 119.300 0.042 0.000 2.701 4116 C HA 0.651 5.143 4.460 0.054 0.000 0.336 4116 C C -0.323 174.693 174.990 0.044 0.000 1.123 4116 C CA -0.439 58.622 59.018 0.072 0.000 1.326 4116 C CB 1.494 29.263 27.740 0.049 0.000 1.833 4116 C HN 0.811 nan 8.230 nan 0.000 0.473 4117 S N 3.817 119.545 115.700 0.047 0.000 2.536 4117 S HA 0.613 5.115 4.470 0.054 0.000 0.287 4117 S C -1.251 173.336 174.600 -0.022 0.000 1.101 4117 S CA -0.283 57.922 58.200 0.009 0.000 0.950 4117 S CB 1.514 64.711 63.200 -0.004 0.000 1.056 4117 S HN 0.850 nan 8.310 nan 0.000 0.481 4118 Q N 4.099 123.872 119.800 -0.045 0.000 2.571 4118 Q HA 0.341 4.713 4.340 0.054 0.000 0.243 4118 Q C -2.374 173.607 176.000 -0.031 0.000 1.055 4118 Q CA -1.833 53.877 55.803 -0.155 0.000 0.815 4118 Q CB 1.479 30.112 28.738 -0.175 0.000 1.151 4118 Q HN 0.538 nan 8.270 nan 0.000 0.519 4119 P HA 0.079 nan 4.420 nan 0.000 0.274 4119 P C -0.283 177.098 177.300 0.136 0.000 1.237 4119 P CA -0.169 62.962 63.100 0.052 0.000 0.793 4119 P CB 1.501 33.217 31.700 0.026 0.000 0.977 4120 D N -0.319 120.140 120.400 0.098 0.000 2.146 4120 D HA -0.026 4.646 4.640 0.054 0.000 0.209 4120 D C 0.981 177.324 176.300 0.072 0.000 0.973 4120 D CA 1.555 55.609 54.000 0.090 0.000 0.860 4120 D CB -0.406 40.425 40.800 0.052 0.000 1.015 4120 D HN 0.525 nan 8.370 nan 0.000 0.465 4121 T N -2.779 111.805 114.554 0.050 0.000 2.952 4121 T HA 0.530 4.912 4.350 0.054 0.000 0.286 4121 T C 1.387 176.111 174.700 0.039 0.000 1.024 4121 T CA -0.361 61.761 62.100 0.037 0.000 1.029 4121 T CB 1.908 70.788 68.868 0.021 0.000 1.094 4121 T HN -0.003 nan 8.240 nan 0.000 0.515 4122 G N 0.267 109.086 108.800 0.032 0.000 2.408 4122 G HA2 -0.108 3.885 3.960 0.054 0.000 0.217 4122 G HA3 -0.108 3.885 3.960 0.054 0.000 0.217 4122 G C 1.162 176.076 174.900 0.025 0.000 1.150 4122 G CA 0.575 45.694 45.100 0.032 0.000 0.776 4122 G HN 0.792 nan 8.290 nan 0.000 0.542 4123 E N 0.022 120.231 120.200 0.015 0.000 2.058 4123 E HA -0.142 4.241 4.350 0.054 0.000 0.194 4123 E C 2.422 179.029 176.600 0.013 0.000 0.997 4123 E CA 1.275 57.681 56.400 0.010 0.000 0.801 4123 E CB -0.257 29.444 29.700 0.002 0.000 0.746 4123 E HN 0.607 nan 8.360 nan 0.000 0.450 4124 Q N 0.113 119.922 119.800 0.015 0.000 2.061 4124 Q HA -0.237 4.135 4.340 0.054 0.000 0.204 4124 Q C 2.163 178.171 176.000 0.013 0.000 0.984 4124 Q CA 1.736 57.548 55.803 0.015 0.000 0.846 4124 Q CB -0.234 28.516 28.738 0.020 0.000 0.902 4124 Q HN 0.312 nan 8.270 nan 0.000 0.421 4125 A N 0.672 123.502 122.820 0.017 0.000 1.892 4125 A HA -0.204 4.148 4.320 0.054 0.000 0.218 4125 A C 2.030 179.620 177.584 0.009 0.000 1.188 4125 A CA 1.679 53.722 52.037 0.009 0.000 0.631 4125 A CB -0.749 18.262 19.000 0.019 0.000 0.822 4125 A HN 0.465 nan 8.150 nan 0.000 0.447 4126 L N -1.228 120.012 121.223 0.027 0.000 2.179 4126 L HA -0.053 4.319 4.340 0.054 0.000 0.208 4126 L C 2.524 179.403 176.870 0.015 0.000 1.096 4126 L CA 0.761 55.623 54.840 0.037 0.000 0.779 4126 L CB -0.424 41.665 42.059 0.050 0.000 0.922 4126 L HN 0.260 nan 8.230 nan 0.000 0.443 4127 E N 0.547 120.753 120.200 0.010 0.000 2.153 4127 E HA -0.158 4.224 4.350 0.054 0.000 0.194 4127 E C 2.281 178.880 176.600 -0.002 0.000 0.988 4127 E CA 1.173 57.576 56.400 0.005 0.000 0.811 4127 E CB -0.050 29.654 29.700 0.006 0.000 0.746 4127 E HN 0.504 nan 8.360 nan 0.000 0.466 4128 I N 0.122 120.689 120.570 -0.006 0.000 2.252 4128 I HA -0.318 3.884 4.170 0.054 0.000 0.245 4128 I C 2.524 178.625 176.117 -0.026 0.000 1.102 4128 I CA 0.670 61.961 61.300 -0.014 0.000 1.385 4128 I CB -0.242 37.748 38.000 -0.016 0.000 1.064 4128 I HN 0.125 nan 8.210 nan 0.000 0.414 4129 C N 0.408 119.688 119.300 -0.033 0.000 2.413 4129 C HA -0.228 4.264 4.460 0.054 0.000 0.276 4129 C C 2.584 177.553 174.990 -0.036 0.000 1.236 4129 C CA 1.362 60.350 59.018 -0.050 0.000 1.735 4129 C CB -0.987 26.719 27.740 -0.056 0.000 2.031 4129 C HN 0.541 nan 8.230 nan 0.000 0.474 4130 D N 0.362 120.750 120.400 -0.020 0.000 2.117 4130 D HA -0.078 4.594 4.640 0.054 0.000 0.197 4130 D C 2.193 178.482 176.300 -0.018 0.000 0.987 4130 D CA 1.608 55.597 54.000 -0.017 0.000 0.829 4130 D CB -0.220 40.575 40.800 -0.008 0.000 0.961 4130 D HN 0.407 nan 8.370 nan 0.000 0.460 4131 A N 0.127 122.939 122.820 -0.014 0.000 1.883 4131 A HA -0.137 4.216 4.320 0.054 0.000 0.217 4131 A C 2.432 180.006 177.584 -0.016 0.000 1.186 4131 A CA 1.259 53.289 52.037 -0.012 0.000 0.624 4131 A CB -0.877 18.117 19.000 -0.009 0.000 0.822 4131 A HN 0.349 nan 8.150 nan 0.000 0.444 4132 L N -0.933 120.277 121.223 -0.023 0.000 2.056 4132 L HA -0.164 4.208 4.340 0.054 0.000 0.207 4132 L C 3.118 179.971 176.870 -0.029 0.000 1.078 4132 L CA 0.927 55.751 54.840 -0.026 0.000 0.749 4132 L CB -0.675 41.364 42.059 -0.035 0.000 0.901 4132 L HN 0.448 nan 8.230 nan 0.000 0.433 4133 A N 0.339 123.139 122.820 -0.033 0.000 1.851 4133 A HA -0.242 4.110 4.320 0.054 0.000 0.216 4133 A C 2.409 179.978 177.584 -0.025 0.000 1.195 4133 A CA 1.742 53.759 52.037 -0.034 0.000 0.622 4133 A CB -0.609 18.368 19.000 -0.038 0.000 0.831 4133 A HN 0.290 nan 8.150 nan 0.000 0.444 4134 R N 0.010 120.497 120.500 -0.021 0.000 2.105 4134 R HA -0.144 4.228 4.340 0.054 0.000 0.239 4134 R C 2.624 178.917 176.300 -0.011 0.000 1.135 4134 R CA 1.667 57.758 56.100 -0.015 0.000 0.967 4134 R CB -0.429 29.864 30.300 -0.011 0.000 0.861 4134 R HN 0.770 nan 8.270 nan 0.000 0.442 4135 S N -0.640 115.053 115.700 -0.012 0.000 2.400 4135 S HA -0.092 4.411 4.470 0.054 0.000 0.232 4135 S C 1.647 176.242 174.600 -0.008 0.000 1.025 4135 S CA 1.164 59.359 58.200 -0.009 0.000 0.993 4135 S CB -0.279 62.915 63.200 -0.010 0.000 0.808 4135 S HN 0.548 nan 8.310 nan 0.000 0.478 4136 G N 0.517 109.310 108.800 -0.011 0.000 2.155 4136 G HA2 -0.189 3.803 3.960 0.054 0.000 0.257 4136 G HA3 -0.189 3.803 3.960 0.054 0.000 0.257 4136 G C 0.728 175.621 174.900 -0.010 0.000 0.983 4136 G CA 0.369 45.464 45.100 -0.010 0.000 0.676 4136 G HN 1.419 nan 8.290 nan 0.000 0.528 4137 A N -1.236 121.576 122.820 -0.012 0.000 2.197 4137 A HA 0.682 5.035 4.320 0.054 0.000 0.210 4137 A C 1.000 178.575 177.584 -0.015 0.000 1.180 4137 A CA 1.225 53.255 52.037 -0.012 0.000 0.846 4137 A CB 0.622 19.616 19.000 -0.010 0.000 0.884 4137 A HN 0.972 nan 8.150 nan 0.000 0.487 4138 V N 0.966 120.869 119.914 -0.019 0.000 2.472 4138 V HA 0.234 4.387 4.120 0.054 0.000 0.290 4138 V C 0.146 176.224 176.094 -0.026 0.000 1.037 4138 V CA -0.505 61.782 62.300 -0.023 0.000 0.908 4138 V CB 1.636 33.442 31.823 -0.028 0.000 0.985 4138 V HN 0.393 nan 8.190 nan 0.000 0.454 4139 D N 1.701 122.086 120.400 -0.026 0.000 2.338 4139 D HA 0.076 4.748 4.640 0.054 0.000 0.224 4139 D C 0.357 176.637 176.300 -0.033 0.000 0.967 4139 D CA 1.162 55.146 54.000 -0.026 0.000 0.896 4139 D CB 1.453 42.239 40.800 -0.024 0.000 1.028 4139 D HN 0.402 nan 8.370 nan 0.000 0.493 4140 V N 1.102 120.994 119.914 -0.037 0.000 2.577 4140 V HA 0.484 4.636 4.120 0.054 0.000 0.303 4140 V C -1.405 174.653 176.094 -0.061 0.000 1.042 4140 V CA -0.715 61.556 62.300 -0.048 0.000 0.872 4140 V CB 1.881 33.680 31.823 -0.040 0.000 0.998 4140 V HN -0.091 nan 8.190 nan 0.000 0.423 4141 I N 6.888 127.397 120.570 -0.101 0.000 2.433 4141 I HA 0.635 4.837 4.170 0.054 0.000 0.292 4141 I C -0.416 175.567 176.117 -0.224 0.000 1.001 4141 I CA -1.021 60.192 61.300 -0.146 0.000 1.119 4141 I CB 1.961 39.860 38.000 -0.168 0.000 1.289 4141 I HN 0.630 nan 8.210 nan 0.000 0.438 4142 V N 6.996 126.752 119.914 -0.264 0.000 2.495 4142 V HA 0.588 4.740 4.120 0.054 0.000 0.298 4142 V C -0.786 174.961 176.094 -0.579 0.000 1.031 4142 V CA -0.368 61.697 62.300 -0.390 0.000 0.871 4142 V CB 2.045 33.701 31.823 -0.278 0.000 0.988 4142 V HN 0.441 nan 8.190 nan 0.000 0.432 4143 V N 5.638 125.231 119.914 -0.535 0.000 2.328 4143 V HA 0.395 4.548 4.120 0.054 0.000 0.278 4143 V C -0.148 175.763 176.094 -0.304 0.000 1.021 4143 V CA -0.350 61.695 62.300 -0.425 0.000 0.838 4143 V CB 1.190 32.813 31.823 -0.334 0.000 0.999 4143 V HN 0.978 nan 8.190 nan 0.000 0.447 4144 D N 3.652 123.826 120.400 -0.377 0.000 2.365 4144 D HA 0.298 4.970 4.640 0.054 0.000 0.237 4144 D C 0.046 176.340 176.300 -0.011 0.000 1.190 4144 D CA 0.669 54.576 54.000 -0.156 0.000 0.867 4144 D CB 0.670 41.436 40.800 -0.057 0.000 1.050 4144 D HN 0.641 nan 8.370 nan 0.000 0.491 4145 S N 1.328 117.056 115.700 0.047 0.000 3.392 4145 S HA -0.150 4.352 4.470 0.054 0.000 0.693 4145 S C 1.172 175.826 174.600 0.090 0.000 0.620 4145 S CA 0.338 58.585 58.200 0.078 0.000 1.452 4145 S CB -1.012 62.232 63.200 0.074 0.000 0.988 4145 S HN 0.533 nan 8.310 nan 0.000 0.932 4146 V N 2.434 122.415 119.914 0.111 0.000 2.515 4146 V HA -0.005 4.147 4.120 0.054 0.000 0.250 4146 V C 2.329 178.446 176.094 0.038 0.000 1.058 4146 V CA 2.322 64.668 62.300 0.076 0.000 1.064 4146 V CB -1.082 30.738 31.823 -0.005 0.000 0.675 4146 V HN 1.450 nan 8.190 nan 0.000 0.461 4147 A N 0.766 123.609 122.820 0.039 0.000 1.958 4147 A HA -0.058 4.294 4.320 0.054 0.000 0.221 4147 A C 2.361 179.967 177.584 0.036 0.000 1.178 4147 A CA 2.523 54.578 52.037 0.030 0.000 0.642 4147 A CB -0.996 18.025 19.000 0.035 0.000 0.816 4147 A HN 1.237 nan 8.150 nan 0.000 0.453 4148 A N -1.654 121.198 122.820 0.053 0.000 2.275 4148 A HA 0.443 4.796 4.320 0.054 0.000 0.212 4148 A C 0.537 178.160 177.584 0.065 0.000 1.201 4148 A CA -0.119 51.957 52.037 0.065 0.000 0.843 4148 A CB -0.144 18.912 19.000 0.092 0.000 0.873 4148 A HN 0.284 nan 8.150 nan 0.000 0.492 4149 L N 2.518 123.773 121.223 0.052 0.000 2.451 4149 L HA 0.134 4.506 4.340 0.054 0.000 0.272 4149 L C 0.061 176.949 176.870 0.030 0.000 1.258 4149 L CA 0.691 55.558 54.840 0.046 0.000 1.132 4149 L CB -1.019 41.066 42.059 0.044 0.000 1.361 4149 L HN 0.099 nan 8.230 nan 0.000 0.438 4150 T N 4.422 118.996 114.554 0.034 0.000 2.737 4150 T HA 0.250 4.632 4.350 0.054 0.000 0.296 4150 T C -2.162 172.547 174.700 0.014 0.000 0.922 4150 T CA -1.168 60.944 62.100 0.020 0.000 1.079 4150 T CB 0.543 69.423 68.868 0.020 0.000 0.892 4150 T HN 0.210 nan 8.240 nan 0.000 0.514 4151 P HA 0.060 nan 4.420 nan 0.000 0.266 4151 P C 0.909 178.209 177.300 0.000 0.000 1.193 4151 P CA -0.264 62.835 63.100 -0.001 0.000 0.770 4151 P CB 0.725 32.421 31.700 -0.007 0.000 0.836 4152 K N 2.782 123.181 120.400 -0.002 0.000 2.063 4152 K HA -0.199 4.153 4.320 0.054 0.000 0.208 4152 K C 1.806 178.403 176.600 -0.004 0.000 1.048 4152 K CA 1.791 58.077 56.287 -0.001 0.000 0.928 4152 K CB -0.584 31.914 32.500 -0.004 0.000 0.713 4152 K HN 0.470 nan 8.250 nan 0.000 0.442 4153 A N 0.943 123.759 122.820 -0.008 0.000 1.972 4153 A HA -0.140 4.213 4.320 0.054 0.000 0.219 4153 A C 1.181 178.761 177.584 -0.007 0.000 1.169 4153 A CA 0.936 52.968 52.037 -0.009 0.000 0.635 4153 A CB -0.361 18.632 19.000 -0.012 0.000 0.810 4153 A HN 0.555 nan 8.150 nan 0.000 0.446 4165 G N 0.976 109.765 108.800 -0.019 0.000 2.198 4165 G HA2 -0.287 3.706 3.960 0.054 0.000 0.260 4165 G HA3 -0.287 3.706 3.960 0.054 0.000 0.260 4165 G C 0.501 175.388 174.900 -0.022 0.000 1.025 4165 G CA 0.804 45.891 45.100 -0.021 0.000 0.769 4165 G HN 0.558 nan 8.290 nan 0.000 0.507 4166 L N -0.488 120.722 121.223 -0.020 0.000 2.354 4166 L HA 0.540 4.912 4.340 0.054 0.000 0.212 4166 L C 2.903 179.759 176.870 -0.023 0.000 1.091 4166 L CA 1.890 56.718 54.840 -0.021 0.000 0.828 4166 L CB -0.229 41.819 42.059 -0.018 0.000 0.973 4166 L HN 0.369 nan 8.230 nan 0.000 0.461 4167 A N -0.070 122.736 122.820 -0.022 0.000 1.940 4167 A HA -0.218 4.135 4.320 0.054 0.000 0.219 4167 A C 2.417 179.980 177.584 -0.035 0.000 1.176 4167 A CA 1.750 53.771 52.037 -0.026 0.000 0.631 4167 A CB -0.875 18.111 19.000 -0.024 0.000 0.814 4167 A HN 0.502 nan 8.150 nan 0.000 0.446 4168 A N -0.457 122.344 122.820 -0.032 0.000 1.877 4168 A HA -0.172 4.180 4.320 0.054 0.000 0.216 4168 A C 2.251 179.815 177.584 -0.033 0.000 1.186 4168 A CA 1.787 53.805 52.037 -0.033 0.000 0.620 4168 A CB -0.461 18.524 19.000 -0.024 0.000 0.822 4168 A HN 0.538 nan 8.150 nan 0.000 0.443 4169 R N -1.057 119.426 120.500 -0.029 0.000 2.092 4169 R HA -0.052 4.320 4.340 0.054 0.000 0.231 4169 R C 2.261 178.541 176.300 -0.033 0.000 1.119 4169 R CA 1.525 57.608 56.100 -0.028 0.000 0.970 4169 R CB -0.275 30.010 30.300 -0.025 0.000 0.864 4169 R HN 0.662 nan 8.270 nan 0.000 0.440 4170 M N -0.434 119.145 119.600 -0.035 0.000 2.099 4170 M HA -0.172 4.340 4.480 0.054 0.000 0.262 4170 M C 1.706 177.974 176.300 -0.054 0.000 1.067 4170 M CA 1.468 56.746 55.300 -0.037 0.000 1.124 4170 M CB 0.056 32.639 32.600 -0.029 0.000 1.353 4170 M HN 0.185 nan 8.290 nan 0.000 0.410 4171 M N -0.370 119.187 119.600 -0.072 0.000 2.108 4171 M HA -0.177 4.335 4.480 0.054 0.000 0.261 4171 M C 2.440 178.661 176.300 -0.132 0.000 1.066 4171 M CA 1.589 56.817 55.300 -0.121 0.000 1.107 4171 M CB -1.402 31.115 32.600 -0.138 0.000 1.356 4171 M HN 0.392 nan 8.290 nan 0.000 0.406 4172 S N -0.168 115.481 115.700 -0.085 0.000 2.368 4172 S HA -0.210 4.292 4.470 0.054 0.000 0.225 4172 S C 1.894 176.439 174.600 -0.093 0.000 1.030 4172 S CA 1.569 59.727 58.200 -0.070 0.000 0.999 4172 S CB -0.140 63.046 63.200 -0.023 0.000 0.844 4172 S HN 0.546 nan 8.310 nan 0.000 0.459 4173 Q N 0.120 119.881 119.800 -0.065 0.000 2.079 4173 Q HA -0.059 4.313 4.340 0.054 0.000 0.200 4173 Q C 2.215 178.167 176.000 -0.079 0.000 0.974 4173 Q CA 1.363 57.138 55.803 -0.047 0.000 0.840 4173 Q CB -0.430 28.301 28.738 -0.012 0.000 0.898 4173 Q HN 0.624 nan 8.270 nan 0.000 0.430 4174 A N 0.885 123.650 122.820 -0.092 0.000 1.883 4174 A HA -0.230 4.122 4.320 0.054 0.000 0.217 4174 A C 2.058 179.546 177.584 -0.161 0.000 1.186 4174 A CA 1.803 53.788 52.037 -0.087 0.000 0.624 4174 A CB -0.566 18.399 19.000 -0.058 0.000 0.822 4174 A HN 0.419 nan 8.150 nan 0.000 0.444 4175 M N -0.636 118.774 119.600 -0.317 0.000 2.080 4175 M HA -0.156 4.356 4.480 0.054 0.000 0.260 4175 M C 2.168 178.124 176.300 -0.574 0.000 1.068 4175 M CA 1.648 56.566 55.300 -0.637 0.000 1.109 4175 M CB -1.426 30.387 32.600 -1.312 0.000 1.342 4175 M HN 0.418 nan 8.290 nan 0.000 0.405 4176 R N 0.286 120.560 120.500 -0.376 0.000 2.094 4176 R HA -0.172 4.200 4.340 0.054 0.000 0.239 4176 R C 2.319 178.586 176.300 -0.055 0.000 1.137 4176 R CA 1.655 57.695 56.100 -0.100 0.000 0.943 4176 R CB -0.260 30.025 30.300 -0.025 0.000 0.850 4176 R HN 0.450 nan 8.270 nan 0.000 0.433 4177 K N 0.226 120.585 120.400 -0.068 0.000 2.103 4177 K HA -0.076 4.277 4.320 0.054 0.000 0.204 4177 K C 2.179 178.747 176.600 -0.053 0.000 1.052 4177 K CA 1.018 57.279 56.287 -0.043 0.000 0.945 4177 K CB -0.048 32.437 32.500 -0.026 0.000 0.722 4177 K HN 0.163 nan 8.250 nan 0.000 0.443 4178 L N 0.574 121.758 121.223 -0.065 0.000 2.044 4178 L HA -0.094 4.278 4.340 0.054 0.000 0.205 4178 L C 2.637 179.471 176.870 -0.060 0.000 1.075 4178 L CA 0.862 55.674 54.840 -0.047 0.000 0.747 4178 L CB -0.670 41.385 42.059 -0.008 0.000 0.903 4178 L HN 0.147 nan 8.230 nan 0.000 0.435 4179 A N 0.740 123.533 122.820 -0.046 0.000 1.909 4179 A HA -0.284 4.068 4.320 0.054 0.000 0.221 4179 A C 2.358 179.796 177.584 -0.243 0.000 1.223 4179 A CA 2.438 54.473 52.037 -0.004 0.000 0.658 4179 A CB -1.575 17.545 19.000 0.200 0.000 0.831 4179 A HN 0.480 nan 8.150 nan 0.000 0.462 4180 G N -0.933 107.642 108.800 -0.376 0.000 2.421 4180 G HA2 -0.270 3.722 3.960 0.054 0.000 0.216 4180 G HA3 -0.270 3.722 3.960 0.054 0.000 0.216 4180 G C 1.444 176.124 174.900 -0.366 0.000 1.171 4180 G CA 1.051 45.717 45.100 -0.724 0.000 0.775 4180 G HN 0.732 nan 8.290 nan 0.000 0.543 4181 N N -0.054 118.540 118.700 -0.177 0.000 2.223 4181 N HA -0.009 4.764 4.740 0.054 0.000 0.185 4181 N C 2.199 177.661 175.510 -0.080 0.000 1.016 4181 N CA 0.432 53.425 53.050 -0.095 0.000 0.863 4181 N CB -0.118 38.334 38.487 -0.059 0.000 0.983 4181 N HN 0.240 nan 8.380 nan 0.000 0.429 4182 L N 0.715 121.886 121.223 -0.086 0.000 2.072 4182 L HA -0.116 4.256 4.340 0.054 0.000 0.205 4182 L C 2.423 179.271 176.870 -0.037 0.000 1.079 4182 L CA 0.872 55.682 54.840 -0.050 0.000 0.752 4182 L CB -0.205 41.836 42.059 -0.029 0.000 0.906 4182 L HN 0.063 nan 8.230 nan 0.000 0.436 4183 K N 0.605 120.969 120.400 -0.060 0.000 2.025 4183 K HA -0.200 4.153 4.320 0.054 0.000 0.207 4183 K C 2.056 178.672 176.600 0.026 0.000 1.049 4183 K CA 1.634 57.929 56.287 0.014 0.000 0.933 4183 K CB -0.245 32.318 32.500 0.106 0.000 0.714 4183 K HN 0.175 nan 8.250 nan 0.000 0.438 4184 Q N -0.540 119.260 119.800 -0.000 0.000 2.364 4184 Q HA 0.035 4.407 4.340 0.054 0.000 0.207 4184 Q C 1.065 177.071 176.000 0.011 0.000 0.970 4184 Q CA 1.358 57.174 55.803 0.022 0.000 0.888 4184 Q CB 0.235 28.985 28.738 0.021 0.000 0.951 4184 Q HN 0.235 nan 8.270 nan 0.000 0.469 4185 S N -0.039 115.659 115.700 -0.004 0.000 2.524 4185 S HA 0.056 4.558 4.470 0.054 0.000 0.215 4185 S C 0.240 174.838 174.600 -0.004 0.000 0.986 4185 S CA -0.085 58.112 58.200 -0.005 0.000 0.911 4185 S CB 0.299 63.490 63.200 -0.015 0.000 0.805 4185 S HN 0.452 nan 8.310 nan 0.000 0.501 4186 N N 2.049 120.750 118.700 0.002 0.000 2.735 4186 N HA -0.141 4.631 4.740 0.054 0.000 0.248 4186 N C -1.147 174.359 175.510 -0.007 0.000 1.083 4186 N CA 0.894 53.946 53.050 0.003 0.000 0.703 4186 N CB -1.509 36.981 38.487 0.005 0.000 1.005 4186 N HN 0.263 nan 8.380 nan 0.000 0.550 4187 T N 0.767 115.313 114.554 -0.014 0.000 2.767 4187 T HA 0.433 4.816 4.350 0.054 0.000 0.288 4187 T C 0.261 174.944 174.700 -0.028 0.000 0.963 4187 T CA -0.667 61.418 62.100 -0.026 0.000 1.019 4187 T CB 1.445 70.292 68.868 -0.035 0.000 0.923 4187 T HN 0.294 nan 8.240 nan 0.000 0.468 4188 L N 4.580 125.783 121.223 -0.034 0.000 2.331 4188 L HA 0.558 4.930 4.340 0.054 0.000 0.278 4188 L C -0.823 176.003 176.870 -0.073 0.000 1.106 4188 L CA -0.264 54.553 54.840 -0.038 0.000 0.824 4188 L CB 0.392 42.431 42.059 -0.034 0.000 1.142 4188 L HN 0.628 nan 8.230 nan 0.000 0.443 4189 L N 6.827 128.000 121.223 -0.084 0.000 2.343 4189 L HA 0.537 4.909 4.340 0.054 0.000 0.278 4189 L C -1.029 175.720 176.870 -0.201 0.000 0.996 4189 L CA -0.477 54.252 54.840 -0.185 0.000 0.831 4189 L CB 1.214 43.150 42.059 -0.205 0.000 1.232 4189 L HN 0.671 nan 8.230 nan 0.000 0.413 4190 I N 4.564 124.980 120.570 -0.257 0.000 2.321 4190 I HA 0.276 4.479 4.170 0.054 0.000 0.291 4190 I C -0.819 175.114 176.117 -0.307 0.000 0.998 4190 I CA -0.295 60.898 61.300 -0.177 0.000 1.227 4190 I CB 1.256 39.198 38.000 -0.097 0.000 1.368 4190 I HN 0.395 nan 8.210 nan 0.000 0.466 4191 F N 6.609 126.543 119.950 -0.027 0.000 2.404 4191 F HA 0.463 5.022 4.527 0.054 0.000 0.354 4191 F C 0.391 176.190 175.800 -0.002 0.000 1.122 4191 F CA -0.431 57.553 58.000 -0.027 0.000 1.080 4191 F CB 0.964 39.961 39.000 -0.004 0.000 1.131 4191 F HN 0.214 nan 8.300 nan 0.000 0.471 4192 I N 3.621 124.283 120.570 0.154 0.000 2.395 4192 I HA 0.206 4.408 4.170 0.054 0.000 0.289 4192 I C -0.168 176.043 176.117 0.157 0.000 1.023 4192 I CA -0.093 61.286 61.300 0.132 0.000 1.350 4192 I CB 1.005 39.053 38.000 0.080 0.000 1.409 4192 I HN 0.636 nan 8.210 nan 0.000 0.507 4193 N N 4.359 123.160 118.700 0.168 0.000 2.292 4193 N HA 0.388 5.161 4.740 0.054 0.000 0.303 4193 N C -1.170 174.424 175.510 0.139 0.000 1.140 4193 N CA -0.688 52.446 53.050 0.140 0.000 0.788 4193 N CB 1.715 40.279 38.487 0.128 0.000 1.361 4193 N HN 0.541 nan 8.380 nan 0.000 0.489 4194 Q N 0.862 120.714 119.800 0.087 0.000 2.180 4194 Q HA 0.495 4.867 4.340 0.054 0.000 0.241 4194 Q C -0.639 175.386 176.000 0.041 0.000 0.970 4194 Q CA -0.642 55.206 55.803 0.075 0.000 0.919 4194 Q CB 1.973 30.742 28.738 0.052 0.000 1.222 4194 Q HN 0.479 nan 8.270 nan 0.000 0.482 4195 I N 1.478 122.072 120.570 0.039 0.000 2.359 4195 I HA 0.343 4.545 4.170 0.054 0.000 0.294 4195 I C -0.115 175.996 176.117 -0.010 0.000 0.987 4195 I CA -0.693 60.605 61.300 -0.004 0.000 1.225 4195 I CB 0.820 38.836 38.000 0.026 0.000 1.366 4195 I HN 0.297 nan 8.210 nan 0.000 0.466 4196 R N 4.907 125.387 120.500 -0.033 0.000 2.732 4196 R HA 0.625 4.997 4.340 0.054 0.000 0.278 4196 R C -0.743 175.540 176.300 -0.028 0.000 0.976 4196 R CA -1.167 54.919 56.100 -0.024 0.000 0.963 4196 R CB 1.917 32.202 30.300 -0.026 0.000 1.150 4196 R HN 0.460 nan 8.270 nan 0.000 0.478 4197 M N 1.377 120.967 119.600 -0.018 0.000 2.573 4197 M HA 0.382 4.894 4.480 0.054 0.000 0.309 4197 M C -0.433 175.856 176.300 -0.018 0.000 1.202 4197 M CA 0.010 55.300 55.300 -0.016 0.000 0.975 4197 M CB 1.159 33.755 32.600 -0.008 0.000 1.600 4197 M HN 0.555 nan 8.290 nan 0.000 0.479 4206 P HA 0.202 nan 4.420 nan 0.000 0.249 4206 P C -0.388 176.899 177.300 -0.021 0.000 1.229 4206 P CA 0.406 63.499 63.100 -0.012 0.000 0.788 4206 P CB 0.549 32.244 31.700 -0.008 0.000 1.072 4207 E N 0.346 120.532 120.200 -0.023 0.000 2.366 4207 E HA 0.317 4.699 4.350 0.054 0.000 0.266 4207 E C 0.005 176.556 176.600 -0.081 0.000 1.051 4207 E CA 0.267 56.642 56.400 -0.042 0.000 0.884 4207 E CB 0.797 30.480 29.700 -0.028 0.000 1.006 4207 E HN 0.141 nan 8.360 nan 0.000 0.417 4208 T N 0.026 114.516 114.554 -0.106 0.000 2.618 4208 T HA 0.450 4.832 4.350 0.054 0.000 0.293 4208 T C -0.518 174.068 174.700 -0.191 0.000 1.093 4208 T CA -0.770 61.241 62.100 -0.148 0.000 1.061 4208 T CB 1.692 70.503 68.868 -0.095 0.000 1.498 4208 T HN 0.315 nan 8.240 nan 0.000 0.494 4209 T N 1.633 116.081 114.554 -0.177 0.000 2.909 4209 T HA 0.621 5.003 4.350 0.054 0.000 0.299 4209 T C -0.574 174.070 174.700 -0.094 0.000 1.073 4209 T CA -0.539 61.458 62.100 -0.173 0.000 0.999 4209 T CB 1.560 70.272 68.868 -0.259 0.000 1.098 4209 T HN 0.762 nan 8.240 nan 0.000 0.477 4210 T N 0.977 115.494 114.554 -0.061 0.000 2.868 4210 T HA 0.501 4.884 4.350 0.054 0.000 0.292 4210 T C 1.244 175.913 174.700 -0.053 0.000 1.028 4210 T CA 0.317 62.391 62.100 -0.043 0.000 1.059 4210 T CB 0.628 69.484 68.868 -0.021 0.000 0.991 4210 T HN 1.174 nan 8.240 nan 0.000 0.531 4211 G N 0.263 109.035 108.800 -0.047 0.000 2.204 4211 G HA2 0.263 4.255 3.960 0.054 0.000 0.244 4211 G HA3 0.263 4.255 3.960 0.054 0.000 0.244 4211 G C 0.699 175.565 174.900 -0.056 0.000 1.062 4211 G CA 0.126 45.191 45.100 -0.058 0.000 0.798 4211 G HN 1.859 nan 8.290 nan 0.000 0.496 4212 G N -0.399 108.379 108.800 -0.037 0.000 2.584 4212 G HA2 -0.173 3.819 3.960 0.054 0.000 0.229 4212 G HA3 -0.173 3.819 3.960 0.054 0.000 0.229 4212 G C 0.522 175.427 174.900 0.007 0.000 1.320 4212 G CA 0.497 45.588 45.100 -0.015 0.000 0.891 4212 G HN 0.946 nan 8.290 nan 0.000 0.573 4213 N N 0.351 119.086 118.700 0.059 0.000 2.250 4213 N HA 0.238 5.010 4.740 0.054 0.000 0.190 4213 N C 2.383 178.054 175.510 0.269 0.000 1.116 4213 N CA 1.153 54.290 53.050 0.146 0.000 0.881 4213 N CB 0.302 38.910 38.487 0.203 0.000 1.006 4213 N HN 0.849 nan 8.380 nan 0.000 0.491 4214 A N 1.618 124.553 122.820 0.191 0.000 1.873 4214 A HA -0.154 4.198 4.320 0.054 0.000 0.218 4214 A C 2.165 179.957 177.584 0.348 0.000 1.193 4214 A CA 1.179 53.380 52.037 0.274 0.000 0.629 4214 A CB -0.749 18.309 19.000 0.097 0.000 0.826 4214 A HN 0.200 nan 8.150 nan 0.000 0.447 4215 L N 0.011 121.307 121.223 0.122 0.000 2.079 4215 L HA -0.172 4.201 4.340 0.054 0.000 0.210 4215 L C 2.242 179.189 176.870 0.129 0.000 1.081 4215 L CA 2.249 57.130 54.840 0.067 0.000 0.752 4215 L CB -0.566 41.419 42.059 -0.123 0.000 0.896 4215 L HN 0.396 nan 8.230 nan 0.000 0.433 4216 K N -1.224 119.222 120.400 0.078 0.000 2.074 4216 K HA -0.231 4.122 4.320 0.054 0.000 0.209 4216 K C 2.037 178.587 176.600 -0.082 0.000 1.048 4216 K CA 2.054 58.311 56.287 -0.050 0.000 0.926 4216 K CB -0.459 31.915 32.500 -0.211 0.000 0.713 4216 K HN 0.278 nan 8.250 nan 0.000 0.444 4217 F N -0.695 119.293 119.950 0.063 0.000 2.149 4217 F HA -0.096 4.463 4.527 0.054 0.000 0.294 4217 F C 2.093 177.867 175.800 -0.045 0.000 1.095 4217 F CA 1.047 59.039 58.000 -0.013 0.000 1.276 4217 F CB -0.357 38.599 39.000 -0.073 0.000 1.023 4217 F HN -0.032 nan 8.300 nan 0.000 0.480 4218 Y N 0.159 120.587 120.300 0.213 0.000 2.395 4218 Y HA 0.188 4.770 4.550 0.054 0.000 0.293 4218 Y C 1.663 177.627 175.900 0.106 0.000 1.123 4218 Y CA 0.010 58.196 58.100 0.144 0.000 1.227 4218 Y CB -0.768 37.759 38.460 0.113 0.000 1.012 4218 Y HN -0.115 nan 8.280 nan 0.000 0.552 4219 A N -0.025 122.928 122.820 0.222 0.000 2.546 4219 A HA 0.099 4.451 4.320 0.054 0.000 0.243 4219 A C 1.248 178.879 177.584 0.078 0.000 1.063 4219 A CA 0.556 52.679 52.037 0.143 0.000 0.757 4219 A CB 0.100 19.166 19.000 0.110 0.000 0.991 4219 A HN 0.357 nan 8.150 nan 0.000 0.503 4220 S N 0.609 116.346 115.700 0.061 0.000 2.478 4220 S HA 0.193 4.696 4.470 0.054 0.000 0.222 4220 S C 0.321 174.900 174.600 -0.035 0.000 1.008 4220 S CA 0.463 58.669 58.200 0.010 0.000 0.928 4220 S CB 0.126 63.336 63.200 0.018 0.000 0.781 4220 S HN 0.567 nan 8.310 nan 0.000 0.518 4221 V N 2.388 122.291 119.914 -0.019 0.000 2.733 4221 V HA 0.453 4.605 4.120 0.054 0.000 0.306 4221 V C -0.909 175.171 176.094 -0.024 0.000 1.084 4221 V CA -0.838 61.432 62.300 -0.050 0.000 0.905 4221 V CB 2.130 33.924 31.823 -0.048 0.000 1.010 4221 V HN 0.140 nan 8.190 nan 0.000 0.424 4222 R N 4.284 124.752 120.500 -0.053 0.000 2.480 4222 R HA 0.668 5.040 4.340 0.054 0.000 0.306 4222 R C -1.830 174.402 176.300 -0.112 0.000 0.958 4222 R CA -0.900 55.184 56.100 -0.027 0.000 0.861 4222 R CB 2.244 32.573 30.300 0.048 0.000 1.171 4222 R HN 0.340 nan 8.270 nan 0.000 0.445 4223 L N 2.444 123.566 121.223 -0.169 0.000 2.313 4223 L HA 0.289 4.661 4.340 0.054 0.000 0.283 4223 L C -0.170 176.381 176.870 -0.531 0.000 1.013 4223 L CA -0.527 54.171 54.840 -0.237 0.000 0.816 4223 L CB 1.403 43.388 42.059 -0.122 0.000 1.236 4223 L HN 0.490 nan 8.230 nan 0.000 0.419 4224 D N 4.322 124.423 120.400 -0.498 0.000 2.443 4224 D HA 0.247 4.919 4.640 0.054 0.000 0.221 4224 D C -0.606 175.549 176.300 -0.241 0.000 1.097 4224 D CA -0.212 53.431 54.000 -0.595 0.000 0.865 4224 D CB 0.819 41.411 40.800 -0.347 0.000 1.034 4224 D HN 0.452 nan 8.370 nan 0.000 0.511 4225 I N 3.346 123.807 120.570 -0.181 0.000 2.392 4225 I HA 0.470 4.672 4.170 0.054 0.000 0.295 4225 I C -0.635 175.459 176.117 -0.038 0.000 0.985 4225 I CA -0.627 60.629 61.300 -0.073 0.000 1.221 4225 I CB 0.601 38.592 38.000 -0.014 0.000 1.366 4225 I HN 0.242 nan 8.210 nan 0.000 0.467 4226 R N 5.645 126.115 120.500 -0.051 0.000 2.626 4226 R HA 0.378 4.751 4.340 0.054 0.000 0.274 4226 R C -1.077 175.191 176.300 -0.053 0.000 1.031 4226 R CA -0.901 55.182 56.100 -0.029 0.000 0.898 4226 R CB 1.995 32.285 30.300 -0.017 0.000 1.222 4226 R HN 0.567 nan 8.270 nan 0.000 0.455 4227 R N 3.980 124.468 120.500 -0.020 0.000 2.298 4227 R HA 0.173 4.545 4.340 0.054 0.000 0.310 4227 R C 0.687 176.972 176.300 -0.025 0.000 1.068 4227 R CA 0.137 56.224 56.100 -0.021 0.000 0.957 4227 R CB 0.452 30.764 30.300 0.020 0.000 1.003 4227 R HN 0.771 nan 8.270 nan 0.000 0.454 4228 I N 0.472 121.015 120.570 -0.045 0.000 4.181 4228 I HA 0.484 4.686 4.170 0.054 0.000 0.331 4228 I C 0.469 176.571 176.117 -0.025 0.000 1.312 4228 I CA -0.197 61.081 61.300 -0.036 0.000 1.146 4228 I CB 1.039 39.007 38.000 -0.054 0.000 1.074 4228 I HN 0.623 nan 8.210 nan 0.000 0.402 4229 G N 1.044 109.830 108.800 -0.023 0.000 2.441 4229 G HA2 0.663 4.655 3.960 0.054 0.000 0.294 4229 G HA3 0.663 4.655 3.960 0.054 0.000 0.294 4229 G C -1.976 172.921 174.900 -0.006 0.000 1.393 4229 G CA -0.238 44.855 45.100 -0.012 0.000 0.796 4229 G HN 0.296 nan 8.290 nan 0.000 0.494 4230 A N -0.520 122.301 122.820 0.001 0.000 2.317 4230 A HA 0.721 5.073 4.320 0.054 0.000 0.327 4230 A C -0.241 177.331 177.584 -0.020 0.000 1.178 4230 A CA -0.527 51.513 52.037 0.005 0.000 0.817 4230 A CB 1.532 20.550 19.000 0.031 0.000 1.189 4230 A HN 1.330 nan 8.150 nan 0.000 0.489 4231 V N 3.814 123.696 119.914 -0.053 0.000 2.389 4231 V HA 0.192 4.344 4.120 0.054 0.000 0.264 4231 V C 0.367 176.437 176.094 -0.039 0.000 1.049 4231 V CA 0.018 62.282 62.300 -0.060 0.000 0.932 4231 V CB 0.334 32.094 31.823 -0.104 0.000 1.011 4231 V HN 0.847 nan 8.190 nan 0.000 0.475 4232 K N 3.355 123.745 120.400 -0.017 0.000 2.156 4232 K HA 0.479 4.831 4.320 0.054 0.000 0.254 4232 K C -0.119 176.480 176.600 -0.001 0.000 0.950 4232 K CA -0.711 55.576 56.287 -0.001 0.000 0.849 4232 K CB 1.718 34.221 32.500 0.006 0.000 1.100 4232 K HN 0.474 nan 8.250 nan 0.000 0.434 4233 E N 1.835 122.039 120.200 0.007 0.000 3.312 4233 E HA 0.125 4.507 4.350 0.054 0.000 0.215 4233 E C 0.546 177.151 176.600 0.010 0.000 1.160 4233 E CA -0.138 56.266 56.400 0.007 0.000 1.267 4233 E CB 0.729 30.437 29.700 0.013 0.000 1.361 4233 E HN 1.007 nan 8.360 nan 0.000 0.433 4234 G N 2.570 111.374 108.800 0.007 0.000 4.230 4234 G HA2 -0.431 3.562 3.960 0.054 0.000 0.340 4234 G HA3 -0.431 3.562 3.960 0.054 0.000 0.340 4234 G C 1.165 176.072 174.900 0.011 0.000 1.315 4234 G CA 0.705 45.809 45.100 0.008 0.000 1.033 4234 G HN 0.450 nan 8.290 nan 0.000 0.741 4235 E N 1.893 122.101 120.200 0.014 0.000 2.021 4235 E HA -0.001 4.381 4.350 0.054 0.000 0.189 4235 E C 1.188 177.803 176.600 0.023 0.000 0.980 4235 E CA 0.905 57.315 56.400 0.017 0.000 0.803 4235 E CB -0.380 29.329 29.700 0.016 0.000 0.766 4235 E HN 0.689 nan 8.360 nan 0.000 0.449 4236 N N 0.370 119.086 118.700 0.028 0.000 2.525 4236 N HA 0.108 4.880 4.740 0.054 0.000 0.271 4236 N C -0.773 174.767 175.510 0.050 0.000 1.194 4236 N CA -0.137 52.938 53.050 0.041 0.000 0.964 4236 N CB 1.517 40.031 38.487 0.045 0.000 1.126 4236 N HN -0.198 nan 8.380 nan 0.000 0.452 4237 V N 2.224 122.185 119.914 0.079 0.000 2.320 4237 V HA 0.091 4.243 4.120 0.054 0.000 0.265 4237 V C 0.603 176.800 176.094 0.171 0.000 1.048 4237 V CA -0.252 62.114 62.300 0.110 0.000 0.865 4237 V CB 1.023 32.932 31.823 0.143 0.000 1.043 4237 V HN 0.570 nan 8.190 nan 0.000 0.474 4238 V N 4.417 124.363 119.914 0.054 0.000 3.621 4238 V HA 0.628 4.780 4.120 0.054 0.000 0.285 4238 V C 0.850 176.740 176.094 -0.340 0.000 1.346 4238 V CA 1.223 63.533 62.300 0.017 0.000 1.104 4238 V CB 0.254 32.082 31.823 0.007 0.000 0.913 4238 V HN 0.899 nan 8.190 nan 0.000 0.432 4239 G N -1.166 107.276 108.800 -0.596 0.000 2.506 4239 G HA2 0.464 4.456 3.960 0.054 0.000 0.292 4239 G HA3 0.464 4.456 3.960 0.054 0.000 0.292 4239 G C -1.443 173.103 174.900 -0.591 0.000 1.425 4239 G CA -0.294 44.179 45.100 -1.044 0.000 0.788 4239 G HN -0.007 nan 8.290 nan 0.000 0.490 4240 S N -0.072 115.384 115.700 -0.407 0.000 2.437 4240 S HA 0.490 4.992 4.470 0.054 0.000 0.305 4240 S C -0.317 174.236 174.600 -0.078 0.000 1.109 4240 S CA -0.417 57.736 58.200 -0.078 0.000 1.099 4240 S CB 1.655 64.910 63.200 0.090 0.000 1.004 4240 S HN 0.586 nan 8.310 nan 0.000 0.475 4241 E N 2.223 122.382 120.200 -0.069 0.000 2.324 4241 E HA 0.310 4.692 4.350 0.054 0.000 0.271 4241 E C -0.601 175.913 176.600 -0.143 0.000 1.028 4241 E CA 0.343 56.688 56.400 -0.092 0.000 0.890 4241 E CB 0.531 30.191 29.700 -0.067 0.000 1.004 4241 E HN 0.449 nan 8.360 nan 0.000 0.431 4242 T N 4.983 119.370 114.554 -0.279 0.000 2.876 4242 T HA 0.501 4.883 4.350 0.054 0.000 0.289 4242 T C -0.746 173.622 174.700 -0.554 0.000 1.014 4242 T CA -0.756 61.084 62.100 -0.433 0.000 0.986 4242 T CB 1.245 69.747 68.868 -0.610 0.000 1.021 4242 T HN 0.322 nan 8.240 nan 0.000 0.458 4243 R N 2.131 122.408 120.500 -0.371 0.000 2.513 4243 R HA 0.675 5.047 4.340 0.054 0.000 0.301 4243 R C -1.822 174.363 176.300 -0.192 0.000 0.968 4243 R CA -0.511 55.427 56.100 -0.271 0.000 0.872 4243 R CB 1.341 31.557 30.300 -0.140 0.000 1.177 4243 R HN 0.452 nan 8.270 nan 0.000 0.444 4244 V N 4.739 124.577 119.914 -0.126 0.000 2.448 4244 V HA 0.393 4.546 4.120 0.054 0.000 0.295 4244 V C -0.212 175.871 176.094 -0.020 0.000 1.025 4244 V CA -0.812 61.465 62.300 -0.038 0.000 0.859 4244 V CB 1.757 33.625 31.823 0.075 0.000 0.988 4244 V HN 0.660 nan 8.190 nan 0.000 0.431 4245 K N 2.927 123.304 120.400 -0.039 0.000 2.159 4245 K HA 0.580 4.933 4.320 0.054 0.000 0.266 4245 K C -0.871 175.700 176.600 -0.048 0.000 0.975 4245 K CA -0.683 55.597 56.287 -0.011 0.000 0.865 4245 K CB 2.201 34.715 32.500 0.024 0.000 1.087 4245 K HN 0.462 nan 8.250 nan 0.000 0.446 4246 V N 4.673 124.561 119.914 -0.044 0.000 2.338 4246 V HA -0.006 4.147 4.120 0.054 0.000 0.255 4246 V C 1.138 177.110 176.094 -0.203 0.000 1.082 4246 V CA -0.051 62.178 62.300 -0.119 0.000 0.951 4246 V CB 0.687 32.434 31.823 -0.127 0.000 1.102 4246 V HN 0.667 nan 8.190 nan 0.000 0.489 4247 V N 3.669 123.482 119.914 -0.168 0.000 2.535 4247 V HA 0.058 4.210 4.120 0.054 0.000 0.246 4247 V C 0.991 176.878 176.094 -0.344 0.000 1.045 4247 V CA 1.352 63.568 62.300 -0.140 0.000 1.058 4247 V CB -0.100 31.751 31.823 0.047 0.000 0.689 4247 V HN 0.780 nan 8.190 nan 0.000 0.461 4248 K N 0.779 121.012 120.400 -0.279 0.000 2.427 4248 K HA 0.410 4.763 4.320 0.054 0.000 0.252 4248 K C -1.520 174.912 176.600 -0.280 0.000 0.931 4248 K CA -0.588 55.521 56.287 -0.297 0.000 0.793 4248 K CB 1.730 34.137 32.500 -0.156 0.000 1.211 4248 K HN 0.137 nan 8.250 nan 0.000 0.426 4249 N N 2.972 121.475 118.700 -0.327 0.000 2.519 4249 N HA 0.218 4.990 4.740 0.054 0.000 0.291 4249 N C -0.931 174.409 175.510 -0.283 0.000 1.107 4249 N CA -0.376 52.507 53.050 -0.279 0.000 0.904 4249 N CB 1.703 40.003 38.487 -0.312 0.000 1.500 4249 N HN 0.631 nan 8.380 nan 0.000 0.510 4250 K N 2.383 122.658 120.400 -0.209 0.000 2.358 4250 K HA 0.293 4.645 4.320 0.054 0.000 0.197 4250 K C 0.636 177.097 176.600 -0.232 0.000 1.025 4250 K CA 0.171 56.331 56.287 -0.211 0.000 1.104 4250 K CB 0.541 32.975 32.500 -0.110 0.000 0.855 4250 K HN 0.395 nan 8.250 nan 0.000 0.531 4251 I N -0.409 120.035 120.570 -0.210 0.000 4.312 4251 I HA 0.197 4.400 4.170 0.054 0.000 0.324 4251 I C -0.055 175.969 176.117 -0.156 0.000 1.298 4251 I CA -0.079 61.132 61.300 -0.149 0.000 1.231 4251 I CB 1.212 39.158 38.000 -0.090 0.000 1.152 4251 I HN -0.057 nan 8.210 nan 0.000 0.421 4252 A N -0.311 122.388 122.820 -0.203 0.000 2.557 4252 A HA 0.844 5.196 4.320 0.054 0.000 0.292 4252 A C -0.906 176.532 177.584 -0.244 0.000 1.139 4252 A CA -0.205 51.732 52.037 -0.166 0.000 0.665 4252 A CB -0.015 18.929 19.000 -0.095 0.000 1.285 4252 A HN 0.063 nan 8.150 nan 0.000 0.433 4253 A N 1.337 124.053 122.820 -0.174 0.000 2.540 4253 A HA 0.553 4.905 4.320 0.054 0.000 0.239 4253 A C -1.996 175.409 177.584 -0.297 0.000 1.061 4253 A CA -0.320 51.568 52.037 -0.248 0.000 0.758 4253 A CB -0.738 18.249 19.000 -0.022 0.000 0.991 4253 A HN 0.545 nan 8.150 nan 0.000 0.502 4254 P HA 0.543 nan 4.420 nan 0.000 0.284 4254 P C -0.216 176.918 177.300 -0.277 0.000 1.292 4254 P CA -0.334 62.434 63.100 -0.553 0.000 0.800 4254 P CB 0.220 31.315 31.700 -1.009 0.000 1.188 4255 F N -4.444 115.470 119.950 -0.059 0.000 2.840 4255 F HA -0.197 4.362 4.527 0.054 0.000 0.310 4255 F C 0.645 176.448 175.800 0.005 0.000 0.688 4255 F CA 0.697 58.693 58.000 -0.007 0.000 1.286 4255 F CB -2.400 36.621 39.000 0.035 0.000 1.612 4255 F HN 0.225 nan 8.300 nan 0.000 0.335 4256 K N 1.209 121.668 120.400 0.099 0.000 2.126 4256 K HA 0.544 4.896 4.320 0.054 0.000 0.257 4256 K C 0.432 177.065 176.600 0.055 0.000 1.007 4256 K CA -0.415 55.916 56.287 0.074 0.000 0.928 4256 K CB 0.988 33.511 32.500 0.039 0.000 1.013 4256 K HN 0.423 nan 8.250 nan 0.000 0.473 4257 Q N -0.352 119.479 119.800 0.051 0.000 2.456 4257 Q HA 0.745 5.117 4.340 0.054 0.000 0.283 4257 Q C -1.718 174.307 176.000 0.042 0.000 1.084 4257 Q CA -1.322 54.505 55.803 0.039 0.000 0.801 4257 Q CB 2.090 30.848 28.738 0.034 0.000 1.434 4257 Q HN 0.524 nan 8.270 nan 0.000 0.419 4258 A N 1.358 124.209 122.820 0.052 0.000 2.356 4258 A HA 0.573 4.926 4.320 0.054 0.000 0.310 4258 A C -1.211 176.397 177.584 0.041 0.000 1.075 4258 A CA -0.678 51.419 52.037 0.099 0.000 0.746 4258 A CB 1.469 20.588 19.000 0.198 0.000 1.221 4258 A HN 0.716 nan 8.150 nan 0.000 0.443 4259 E N 1.242 121.460 120.200 0.030 0.000 2.171 4259 E HA 0.670 5.052 4.350 0.054 0.000 0.271 4259 E C -1.220 175.392 176.600 0.021 0.000 0.916 4259 E CA -0.336 56.006 56.400 -0.098 0.000 0.774 4259 E CB 1.898 31.556 29.700 -0.069 0.000 1.128 4259 E HN 0.618 nan 8.360 nan 0.000 0.403 4260 F N -1.116 118.823 119.950 -0.018 0.000 2.923 4260 F HA 0.433 4.993 4.527 0.054 0.000 0.323 4260 F C -1.201 174.586 175.800 -0.022 0.000 1.189 4260 F CA -1.243 56.742 58.000 -0.024 0.000 0.930 4260 F CB 1.009 39.995 39.000 -0.024 0.000 1.414 4260 F HN 0.133 nan 8.300 nan 0.000 0.496 4261 Q N 1.299 121.281 119.800 0.305 0.000 2.312 4261 Q HA 0.625 4.997 4.340 0.054 0.000 0.263 4261 Q C -1.188 174.958 176.000 0.243 0.000 0.995 4261 Q CA -0.713 55.180 55.803 0.151 0.000 0.853 4261 Q CB 2.937 31.709 28.738 0.056 0.000 1.300 4261 Q HN 0.570 nan 8.270 nan 0.000 0.448 4262 I N 3.973 124.625 120.570 0.137 0.000 2.306 4262 I HA 0.216 4.418 4.170 0.054 0.000 0.288 4262 I C -0.555 175.521 176.117 -0.067 0.000 1.036 4262 I CA -0.438 60.935 61.300 0.122 0.000 1.221 4262 I CB 0.566 38.682 38.000 0.195 0.000 1.385 4262 I HN 0.384 nan 8.210 nan 0.000 0.472 4263 L N 7.101 128.302 121.223 -0.037 0.000 2.281 4263 L HA 0.294 4.666 4.340 0.054 0.000 0.285 4263 L C -0.492 176.390 176.870 0.020 0.000 1.074 4263 L CA -0.801 53.971 54.840 -0.113 0.000 0.817 4263 L CB 0.089 42.128 42.059 -0.034 0.000 1.168 4263 L HN 0.377 nan 8.230 nan 0.000 0.434 4264 Y N 2.143 122.515 120.300 0.120 0.000 2.717 4264 Y HA 0.172 4.754 4.550 0.054 0.000 0.330 4264 Y C 1.519 177.533 175.900 0.191 0.000 1.217 4264 Y CA 0.451 58.656 58.100 0.175 0.000 1.506 4264 Y CB -0.073 38.455 38.460 0.113 0.000 1.268 4264 Y HN 0.859 nan 8.280 nan 0.000 0.561 4265 G N 1.801 110.902 108.800 0.502 0.000 2.184 4265 G HA2 -0.372 3.621 3.960 0.054 0.000 0.264 4265 G HA3 -0.372 3.621 3.960 0.054 0.000 0.264 4265 G C 0.938 175.870 174.900 0.054 0.000 0.975 4265 G CA 0.774 46.045 45.100 0.284 0.000 0.642 4265 G HN 0.655 nan 8.290 nan 0.000 0.536 4266 E N -1.108 119.125 120.200 0.054 0.000 2.357 4266 E HA 0.464 4.846 4.350 0.054 0.000 0.202 4266 E C 1.375 177.953 176.600 -0.036 0.000 0.855 4266 E CA 1.308 57.708 56.400 -0.001 0.000 1.048 4266 E CB 0.623 30.340 29.700 0.029 0.000 1.037 4266 E HN 1.657 nan 8.360 nan 0.000 0.499 4267 G N 0.623 109.427 108.800 0.008 0.000 2.342 4267 G HA2 -0.127 3.866 3.960 0.054 0.000 0.220 4267 G HA3 -0.127 3.866 3.960 0.054 0.000 0.220 4267 G C -0.730 174.191 174.900 0.035 0.000 1.243 4267 G CA -0.445 44.656 45.100 0.002 0.000 1.083 4267 G HN 0.159 nan 8.290 nan 0.000 0.500 4268 I N 1.323 121.895 120.570 0.002 0.000 2.710 4268 I HA 0.057 4.260 4.170 0.054 0.000 0.286 4268 I C 0.666 176.787 176.117 0.007 0.000 1.181 4268 I CA -0.188 61.103 61.300 -0.016 0.000 1.430 4268 I CB 0.656 38.525 38.000 -0.218 0.000 1.367 4268 I HN 0.455 nan 8.210 nan 0.000 0.577 4269 N N 6.200 124.931 118.700 0.052 0.000 2.605 4269 N HA -0.009 4.763 4.740 0.054 0.000 0.258 4269 N C 0.444 175.966 175.510 0.020 0.000 1.156 4269 N CA 0.161 53.245 53.050 0.056 0.000 1.008 4269 N CB -0.037 38.488 38.487 0.064 0.000 1.354 4269 N HN 0.507 nan 8.380 nan 0.000 0.509 4270 F N 3.237 123.081 119.950 -0.177 0.000 2.128 4270 F HA -0.085 4.474 4.527 0.054 0.000 0.295 4270 F C 0.883 176.523 175.800 -0.266 0.000 1.100 4270 F CA 1.386 59.207 58.000 -0.299 0.000 1.260 4270 F CB -0.064 38.651 39.000 -0.476 0.000 1.009 4270 F HN 0.408 nan 8.300 nan 0.000 0.476 4271 Y N 0.404 120.743 120.300 0.065 0.000 2.373 4271 Y HA 0.047 4.629 4.550 0.054 0.000 0.293 4271 Y C 2.652 178.489 175.900 -0.105 0.000 1.129 4271 Y CA 0.865 58.947 58.100 -0.030 0.000 1.226 4271 Y CB -1.335 37.157 38.460 0.053 0.000 1.000 4271 Y HN 0.129 nan 8.280 nan 0.000 0.549 4272 G N 0.071 108.900 108.800 0.047 0.000 2.446 4272 G HA2 -0.272 3.720 3.960 0.054 0.000 0.217 4272 G HA3 -0.272 3.720 3.960 0.054 0.000 0.217 4272 G C 1.508 176.368 174.900 -0.067 0.000 1.168 4272 G CA 1.181 46.274 45.100 -0.012 0.000 0.771 4272 G HN 0.407 nan 8.290 nan 0.000 0.551 4273 E N -0.325 119.796 120.200 -0.132 0.000 2.058 4273 E HA -0.135 4.248 4.350 0.054 0.000 0.194 4273 E C 2.419 178.897 176.600 -0.203 0.000 0.997 4273 E CA 0.878 57.173 56.400 -0.174 0.000 0.801 4273 E CB -0.241 29.288 29.700 -0.284 0.000 0.746 4273 E HN 0.296 nan 8.360 nan 0.000 0.450 4274 L N 0.744 121.787 121.223 -0.300 0.000 2.042 4274 L HA -0.194 4.179 4.340 0.054 0.000 0.210 4274 L C 2.226 179.044 176.870 -0.087 0.000 1.076 4274 L CA 1.391 56.099 54.840 -0.221 0.000 0.749 4274 L CB -0.403 41.543 42.059 -0.189 0.000 0.893 4274 L HN -0.017 nan 8.230 nan 0.000 0.432 4275 V N -0.275 119.601 119.914 -0.063 0.000 2.233 4275 V HA -0.328 3.824 4.120 0.054 0.000 0.247 4275 V C 2.299 178.391 176.094 -0.003 0.000 1.050 4275 V CA 2.100 64.368 62.300 -0.053 0.000 1.010 4275 V CB -0.774 30.959 31.823 -0.149 0.000 0.637 4275 V HN 0.430 nan 8.190 nan 0.000 0.444 4276 D N -0.126 120.268 120.400 -0.011 0.000 2.123 4276 D HA -0.130 4.543 4.640 0.054 0.000 0.196 4276 D C 2.075 178.388 176.300 0.021 0.000 0.992 4276 D CA 0.997 55.012 54.000 0.025 0.000 0.833 4276 D CB -0.285 40.522 40.800 0.012 0.000 0.954 4276 D HN 0.172 nan 8.370 nan 0.000 0.455 4277 L N 0.536 121.751 121.223 -0.013 0.000 2.093 4277 L HA -0.016 4.356 4.340 0.054 0.000 0.208 4277 L C 2.474 179.351 176.870 0.012 0.000 1.085 4277 L CA 1.503 56.337 54.840 -0.011 0.000 0.755 4277 L CB -1.585 40.444 42.059 -0.050 0.000 0.904 4277 L HN 0.075 nan 8.230 nan 0.000 0.435 4278 G N -0.873 107.936 108.800 0.016 0.000 2.421 4278 G HA2 -0.175 3.818 3.960 0.054 0.000 0.216 4278 G HA3 -0.175 3.818 3.960 0.054 0.000 0.216 4278 G C 1.767 176.715 174.900 0.081 0.000 1.171 4278 G CA 0.906 46.034 45.100 0.047 0.000 0.775 4278 G HN 0.239 nan 8.290 nan 0.000 0.543 4279 V N 0.812 120.785 119.914 0.098 0.000 2.343 4279 V HA -0.155 3.997 4.120 0.054 0.000 0.247 4279 V C 2.711 178.849 176.094 0.074 0.000 1.051 4279 V CA 2.224 64.592 62.300 0.114 0.000 1.036 4279 V CB -0.362 31.561 31.823 0.167 0.000 0.654 4279 V HN 0.398 nan 8.190 nan 0.000 0.451 4280 K N -0.168 120.267 120.400 0.059 0.000 2.097 4280 K HA -0.190 4.163 4.320 0.054 0.000 0.206 4280 K C 1.697 178.321 176.600 0.040 0.000 1.049 4280 K CA 1.391 57.704 56.287 0.043 0.000 0.933 4280 K CB -0.003 32.517 32.500 0.034 0.000 0.717 4280 K HN 0.361 nan 8.250 nan 0.000 0.442 4281 E N 0.814 121.040 120.200 0.044 0.000 2.437 4281 E HA -0.009 4.373 4.350 0.054 0.000 0.189 4281 E C -0.251 176.380 176.600 0.053 0.000 1.054 4281 E CA 0.124 56.551 56.400 0.044 0.000 0.874 4281 E CB 0.482 30.207 29.700 0.043 0.000 1.011 4281 E HN 0.182 nan 8.360 nan 0.000 0.474 4282 K N -0.124 120.310 120.400 0.058 0.000 3.088 4282 K HA -0.202 4.150 4.320 0.054 0.000 0.273 4282 K C 0.935 177.584 176.600 0.082 0.000 1.111 4282 K CA 0.462 56.785 56.287 0.059 0.000 0.803 4282 K CB -2.186 30.338 32.500 0.041 0.000 1.226 4282 K HN 0.274 nan 8.250 nan 0.000 0.485 4283 L N -0.485 120.805 121.223 0.112 0.000 2.298 4283 L HA 0.203 4.575 4.340 0.054 0.000 0.209 4283 L C 1.176 178.205 176.870 0.265 0.000 1.084 4283 L CA 0.556 55.503 54.840 0.179 0.000 0.816 4283 L CB 0.134 42.300 42.059 0.179 0.000 0.967 4283 L HN 0.117 nan 8.230 nan 0.000 0.460 4284 I N -0.191 120.502 120.570 0.204 0.000 2.404 4284 I HA 0.197 4.400 4.170 0.054 0.000 0.293 4284 I C -0.184 176.026 176.117 0.156 0.000 0.992 4284 I CA -0.610 60.827 61.300 0.230 0.000 1.149 4284 I CB 2.122 40.248 38.000 0.209 0.000 1.315 4284 I HN -0.104 nan 8.210 nan 0.000 0.446 4285 E N 5.685 125.961 120.200 0.127 0.000 2.331 4285 E HA 0.222 4.604 4.350 0.054 0.000 0.272 4285 E C -0.678 175.927 176.600 0.008 0.000 1.036 4285 E CA -0.180 56.252 56.400 0.053 0.000 0.864 4285 E CB 0.911 30.627 29.700 0.026 0.000 1.035 4285 E HN 0.289 nan 8.360 nan 0.000 0.408 4286 K N 2.688 123.045 120.400 -0.071 0.000 2.572 4286 K HA 0.491 4.843 4.320 0.054 0.000 0.244 4286 K C -1.606 174.903 176.600 -0.151 0.000 0.965 4286 K CA -0.615 55.528 56.287 -0.240 0.000 0.943 4286 K CB 1.074 33.378 32.500 -0.326 0.000 1.154 4286 K HN 0.505 nan 8.250 nan 0.000 0.447 4287 A N 3.434 126.197 122.820 -0.096 0.000 2.880 4287 A HA 0.548 4.900 4.320 0.054 0.000 0.328 4287 A C 0.875 178.457 177.584 -0.003 0.000 1.440 4287 A CA 0.392 52.414 52.037 -0.025 0.000 1.068 4287 A CB -0.235 18.774 19.000 0.015 0.000 1.163 4287 A HN 1.045 nan 8.150 nan 0.000 0.510 4288 G N 1.552 110.320 108.800 -0.054 0.000 3.274 4288 G HA2 -0.119 3.873 3.960 0.054 0.000 0.313 4288 G HA3 -0.119 3.873 3.960 0.054 0.000 0.313 4288 G C 1.321 176.151 174.900 -0.115 0.000 1.295 4288 G CA 0.841 45.912 45.100 -0.048 0.000 1.004 4288 G HN 1.911 nan 8.290 nan 0.000 0.614 4289 A N -0.858 121.903 122.820 -0.098 0.000 2.343 4289 A HA 0.528 4.881 4.320 0.054 0.000 0.223 4289 A C 0.561 177.983 177.584 -0.270 0.000 1.214 4289 A CA 0.436 52.361 52.037 -0.186 0.000 0.900 4289 A CB 0.092 18.983 19.000 -0.182 0.000 0.942 4289 A HN 0.572 nan 8.150 nan 0.000 0.507 4290 W N 0.030 121.235 121.300 -0.158 0.000 2.358 4290 W HA 0.498 5.190 4.660 0.054 0.000 0.307 4290 W C -0.836 175.560 176.519 -0.205 0.000 1.203 4290 W CA -0.090 57.194 57.345 -0.103 0.000 1.279 4290 W CB 0.328 29.746 29.460 -0.070 0.000 1.264 4290 W HN 0.237 nan 8.180 nan 0.000 0.474 4291 Y N 2.941 123.362 120.300 0.202 0.000 2.341 4291 Y HA 0.371 4.954 4.550 0.054 0.000 0.340 4291 Y C 0.541 176.492 175.900 0.086 0.000 0.997 4291 Y CA -0.244 57.915 58.100 0.099 0.000 1.149 4291 Y CB 1.026 39.495 38.460 0.015 0.000 1.171 4291 Y HN 0.143 nan 8.280 nan 0.000 0.494 4292 S N 2.926 118.724 115.700 0.163 0.000 2.532 4292 S HA 0.433 4.935 4.470 0.054 0.000 0.301 4292 S C -1.790 172.872 174.600 0.104 0.000 1.083 4292 S CA -0.794 57.446 58.200 0.067 0.000 1.025 4292 S CB 1.311 64.518 63.200 0.012 0.000 1.056 4292 S HN 0.502 nan 8.310 nan 0.000 0.494 4293 Y N 2.505 122.731 120.300 -0.123 0.000 2.326 4293 Y HA 0.361 4.943 4.550 0.054 0.000 0.329 4293 Y C -0.068 175.803 175.900 -0.048 0.000 0.973 4293 Y CA -1.078 56.975 58.100 -0.078 0.000 1.162 4293 Y CB 0.492 38.887 38.460 -0.108 0.000 1.147 4293 Y HN 0.806 nan 8.280 nan 0.000 0.456 4294 K N 5.051 125.152 120.400 -0.498 0.000 3.278 4294 K HA -0.262 4.090 4.320 0.054 0.000 0.270 4294 K C 0.986 177.460 176.600 -0.209 0.000 0.955 4294 K CA 0.974 57.009 56.287 -0.420 0.000 0.723 4294 K CB -1.624 30.510 32.500 -0.610 0.000 1.382 4294 K HN 1.324 nan 8.250 nan 0.000 0.461 4295 G N 0.230 108.947 108.800 -0.138 0.000 2.417 4295 G HA2 -0.399 3.593 3.960 0.054 0.000 0.233 4295 G HA3 -0.399 3.593 3.960 0.054 0.000 0.233 4295 G C 0.006 174.850 174.900 -0.093 0.000 1.103 4295 G CA 0.514 45.554 45.100 -0.100 0.000 0.647 4295 G HN 0.550 nan 8.290 nan 0.000 0.512 4296 E N 1.938 122.085 120.200 -0.089 0.000 2.324 4296 E HA 0.333 4.716 4.350 0.054 0.000 0.271 4296 E C 0.127 176.660 176.600 -0.112 0.000 1.028 4296 E CA -0.345 56.009 56.400 -0.077 0.000 0.890 4296 E CB 0.238 29.921 29.700 -0.028 0.000 1.004 4296 E HN 0.385 nan 8.360 nan 0.000 0.431 4297 K N 4.971 125.303 120.400 -0.114 0.000 2.322 4297 K HA 0.143 4.495 4.320 0.054 0.000 0.283 4297 K C 0.953 177.459 176.600 -0.156 0.000 1.042 4297 K CA -0.015 56.226 56.287 -0.077 0.000 0.958 4297 K CB 0.773 33.200 32.500 -0.121 0.000 0.984 4297 K HN 0.568 nan 8.250 nan 0.000 0.473 4298 I N -1.840 118.584 120.570 -0.243 0.000 4.181 4298 I HA 0.307 4.509 4.170 0.054 0.000 0.331 4298 I C 0.556 176.515 176.117 -0.265 0.000 1.312 4298 I CA -0.311 60.545 61.300 -0.739 0.000 1.146 4298 I CB 0.966 38.161 38.000 -1.343 0.000 1.074 4298 I HN 0.595 nan 8.210 nan 0.000 0.402 4299 G N 1.152 109.991 108.800 0.064 0.000 2.361 4299 G HA2 0.212 4.204 3.960 0.054 0.000 0.299 4299 G HA3 0.212 4.204 3.960 0.054 0.000 0.299 4299 G C -2.147 172.701 174.900 -0.086 0.000 1.544 4299 G CA -0.697 44.429 45.100 0.042 0.000 0.860 4299 G HN 0.195 nan 8.290 nan 0.000 0.610 4300 Q N 0.186 119.732 119.800 -0.424 0.000 2.325 4300 Q HA 0.558 4.931 4.340 0.054 0.000 0.262 4300 Q C 0.354 176.203 176.000 -0.253 0.000 0.968 4300 Q CA 0.417 55.810 55.803 -0.683 0.000 0.877 4300 Q CB 1.276 29.287 28.738 -1.212 0.000 1.253 4300 Q HN 2.412 nan 8.270 nan 0.000 0.448 4301 G N 3.010 111.791 108.800 -0.030 0.000 2.764 4301 G HA2 -0.261 3.731 3.960 0.054 0.000 0.686 4301 G HA3 -0.261 3.731 3.960 0.054 0.000 0.686 4301 G C 0.090 174.998 174.900 0.014 0.000 1.258 4301 G CA 0.022 45.166 45.100 0.073 0.000 0.846 4301 G HN 0.816 nan 8.290 nan 0.000 0.596 4302 K N 1.166 121.569 120.400 0.005 0.000 2.127 4302 K HA -0.106 4.247 4.320 0.054 0.000 0.208 4302 K C 2.934 179.412 176.600 -0.204 0.000 1.047 4302 K CA 2.607 58.729 56.287 -0.274 0.000 0.927 4302 K CB -0.325 32.118 32.500 -0.094 0.000 0.716 4302 K HN 1.171 nan 8.250 nan 0.000 0.450 4303 A N 1.190 123.950 122.820 -0.100 0.000 1.873 4303 A HA -0.263 4.089 4.320 0.054 0.000 0.218 4303 A C 1.780 179.323 177.584 -0.068 0.000 1.193 4303 A CA 2.236 54.233 52.037 -0.067 0.000 0.629 4303 A CB -0.880 18.094 19.000 -0.043 0.000 0.826 4303 A HN 0.557 nan 8.150 nan 0.000 0.447 4304 N N -0.348 118.304 118.700 -0.079 0.000 2.216 4304 N HA 0.055 4.827 4.740 0.054 0.000 0.183 4304 N C 1.916 177.410 175.510 -0.026 0.000 1.017 4304 N CA 1.026 54.050 53.050 -0.044 0.000 0.861 4304 N CB -0.257 38.197 38.487 -0.055 0.000 0.986 4304 N HN 0.486 nan 8.380 nan 0.000 0.428 4305 A N 0.410 123.147 122.820 -0.139 0.000 1.940 4305 A HA -0.158 4.194 4.320 0.054 0.000 0.219 4305 A C 2.215 179.770 177.584 -0.048 0.000 1.176 4305 A CA 1.804 53.745 52.037 -0.160 0.000 0.631 4305 A CB -1.054 17.606 19.000 -0.567 0.000 0.814 4305 A HN 0.235 nan 8.150 nan 0.000 0.446 4306 T N 0.346 114.847 114.554 -0.088 0.000 2.708 4306 T HA -0.038 4.344 4.350 0.054 0.000 0.266 4306 T C 2.211 176.896 174.700 -0.026 0.000 1.037 4306 T CA 1.627 63.715 62.100 -0.019 0.000 1.146 4306 T CB -0.464 68.400 68.868 -0.007 0.000 0.865 4306 T HN 0.609 nan 8.240 nan 0.000 0.435 4307 A N 0.161 122.974 122.820 -0.011 0.000 1.972 4307 A HA -0.090 4.262 4.320 0.054 0.000 0.219 4307 A C 2.037 179.606 177.584 -0.026 0.000 1.169 4307 A CA 1.327 53.348 52.037 -0.027 0.000 0.635 4307 A CB -1.071 17.930 19.000 0.002 0.000 0.810 4307 A HN 0.705 nan 8.150 nan 0.000 0.446 4308 W N 0.417 121.642 121.300 -0.125 0.000 2.388 4308 W HA -0.092 4.600 4.660 0.054 0.000 0.294 4308 W C 1.706 178.123 176.519 -0.169 0.000 1.212 4308 W CA 1.709 58.990 57.345 -0.107 0.000 1.271 4308 W CB -0.151 29.277 29.460 -0.053 0.000 1.126 4308 W HN 0.251 nan 8.180 nan 0.000 0.535 4309 L N 0.433 121.631 121.223 -0.041 0.000 2.156 4309 L HA -0.172 4.201 4.340 0.054 0.000 0.208 4309 L C 2.464 178.885 176.870 -0.748 0.000 1.095 4309 L CA 1.286 55.949 54.840 -0.296 0.000 0.770 4309 L CB -0.747 41.256 42.059 -0.093 0.000 0.914 4309 L HN -0.114 nan 8.230 nan 0.000 0.439 4310 K N 0.117 120.008 120.400 -0.847 0.000 2.063 4310 K HA -0.218 4.134 4.320 0.054 0.000 0.208 4310 K C 1.618 177.943 176.600 -0.459 0.000 1.048 4310 K CA 1.916 57.745 56.287 -0.763 0.000 0.928 4310 K CB -0.159 32.096 32.500 -0.408 0.000 0.713 4310 K HN 0.227 nan 8.250 nan 0.000 0.442 4311 D N 0.301 120.445 120.400 -0.426 0.000 2.178 4311 D HA -0.066 4.606 4.640 0.054 0.000 0.202 4311 D C -0.181 175.838 176.300 -0.468 0.000 0.974 4311 D CA 0.962 54.727 54.000 -0.393 0.000 0.841 4311 D CB 0.001 40.569 40.800 -0.387 0.000 0.953 4311 D HN 0.142 nan 8.370 nan 0.000 0.478 4312 N N 0.048 118.360 118.700 -0.647 0.000 2.976 4312 N HA 0.203 4.975 4.740 0.054 0.000 0.255 4312 N C -2.181 173.114 175.510 -0.359 0.000 1.312 4312 N CA -1.092 51.608 53.050 -0.583 0.000 0.897 4312 N CB 1.695 39.581 38.487 -1.001 0.000 1.184 4312 N HN -0.028 nan 8.380 nan 0.000 0.497 4313 P HA -0.109 nan 4.420 nan 0.000 0.221 4313 P C 0.879 178.155 177.300 -0.041 0.000 1.150 4313 P CA 1.011 64.053 63.100 -0.096 0.000 0.800 4313 P CB 0.455 32.118 31.700 -0.061 0.000 0.787 4314 E N -0.550 119.610 120.200 -0.065 0.000 2.072 4314 E HA -0.092 4.290 4.350 0.054 0.000 0.191 4314 E C 1.729 178.331 176.600 0.004 0.000 0.985 4314 E CA 1.480 57.867 56.400 -0.022 0.000 0.801 4314 E CB -1.779 27.907 29.700 -0.023 0.000 0.750 4314 E HN 0.258 nan 8.360 nan 0.000 0.452 4315 T N 1.709 116.249 114.554 -0.022 0.000 2.857 4315 T HA 0.020 4.403 4.350 0.054 0.000 0.266 4315 T C 2.077 176.779 174.700 0.003 0.000 1.048 4315 T CA 1.302 63.418 62.100 0.027 0.000 1.139 4315 T CB -0.235 68.665 68.868 0.055 0.000 0.874 4315 T HN 0.310 nan 8.240 nan 0.000 0.455 4316 A N 2.343 125.164 122.820 0.002 0.000 1.883 4316 A HA -0.150 4.202 4.320 0.054 0.000 0.217 4316 A C 2.315 179.971 177.584 0.119 0.000 1.186 4316 A CA 1.281 53.376 52.037 0.097 0.000 0.624 4316 A CB -0.366 18.771 19.000 0.228 0.000 0.822 4316 A HN 0.207 nan 8.150 nan 0.000 0.444 4317 K N -0.194 120.265 120.400 0.099 0.000 2.063 4317 K HA -0.198 4.155 4.320 0.054 0.000 0.208 4317 K C 1.937 178.580 176.600 0.072 0.000 1.048 4317 K CA 1.657 57.995 56.287 0.084 0.000 0.928 4317 K CB -0.489 32.042 32.500 0.053 0.000 0.713 4317 K HN 0.793 nan 8.250 nan 0.000 0.442 4318 E N 0.674 120.914 120.200 0.067 0.000 2.051 4318 E HA -0.147 4.236 4.350 0.054 0.000 0.192 4318 E C 2.127 178.774 176.600 0.078 0.000 0.991 4318 E CA 0.975 57.424 56.400 0.081 0.000 0.799 4318 E CB -0.028 29.739 29.700 0.113 0.000 0.748 4318 E HN 0.231 nan 8.360 nan 0.000 0.449 4319 I N 0.969 121.565 120.570 0.042 0.000 2.226 4319 I HA -0.237 3.965 4.170 0.054 0.000 0.245 4319 I C 2.720 178.860 176.117 0.038 0.000 1.100 4319 I CA 1.182 62.494 61.300 0.020 0.000 1.374 4319 I CB -0.423 37.525 38.000 -0.087 0.000 1.057 4319 I HN 0.247 nan 8.210 nan 0.000 0.413 4320 E N 1.683 121.914 120.200 0.052 0.000 2.058 4320 E HA -0.314 4.068 4.350 0.054 0.000 0.194 4320 E C 2.246 178.879 176.600 0.055 0.000 0.997 4320 E CA 1.599 58.034 56.400 0.058 0.000 0.801 4320 E CB -0.019 29.757 29.700 0.127 0.000 0.746 4320 E HN 0.327 nan 8.360 nan 0.000 0.450 4321 K N 0.620 121.055 120.400 0.060 0.000 2.063 4321 K HA -0.217 4.135 4.320 0.054 0.000 0.208 4321 K C 2.130 178.758 176.600 0.047 0.000 1.048 4321 K CA 1.736 58.054 56.287 0.051 0.000 0.928 4321 K CB 0.032 32.562 32.500 0.051 0.000 0.713 4321 K HN -0.037 nan 8.250 nan 0.000 0.442 4322 K N -0.038 120.395 120.400 0.055 0.000 2.057 4322 K HA -0.071 4.281 4.320 0.054 0.000 0.206 4322 K C 1.972 178.599 176.600 0.045 0.000 1.050 4322 K CA 1.126 57.446 56.287 0.056 0.000 0.935 4322 K CB 0.054 32.600 32.500 0.077 0.000 0.715 4322 K HN -0.037 nan 8.250 nan 0.000 0.439 4323 V N 1.339 121.276 119.914 0.038 0.000 2.287 4323 V HA -0.283 3.869 4.120 0.054 0.000 0.248 4323 V C 2.192 178.298 176.094 0.020 0.000 1.053 4323 V CA 1.765 64.079 62.300 0.023 0.000 1.027 4323 V CB -0.438 31.386 31.823 0.002 0.000 0.646 4323 V HN 0.282 nan 8.190 nan 0.000 0.447 4324 R N -0.254 120.260 120.500 0.023 0.000 2.073 4324 R HA -0.187 4.185 4.340 0.054 0.000 0.234 4324 R C 2.353 178.667 176.300 0.024 0.000 1.134 4324 R CA 1.835 57.948 56.100 0.023 0.000 0.952 4324 R CB -0.353 29.964 30.300 0.028 0.000 0.850 4324 R HN 0.605 nan 8.270 nan 0.000 0.433 4325 E N 0.597 120.813 120.200 0.028 0.000 2.085 4325 E HA -0.205 4.177 4.350 0.054 0.000 0.194 4325 E C 2.024 178.640 176.600 0.027 0.000 0.994 4325 E CA 1.163 57.580 56.400 0.028 0.000 0.801 4325 E CB -0.098 29.620 29.700 0.031 0.000 0.743 4325 E HN 0.281 nan 8.360 nan 0.000 0.453 4326 L N 0.008 121.249 121.223 0.029 0.000 2.093 4326 L HA -0.142 4.231 4.340 0.054 0.000 0.208 4326 L C 2.050 178.935 176.870 0.025 0.000 1.085 4326 L CA 0.887 55.744 54.840 0.028 0.000 0.755 4326 L CB 0.022 42.099 42.059 0.031 0.000 0.904 4326 L HN 0.167 nan 8.230 nan 0.000 0.435 4327 L N -1.741 119.496 121.223 0.023 0.000 2.781 4327 L HA 0.197 4.569 4.340 0.054 0.000 0.245 4327 L C 0.801 177.683 176.870 0.020 0.000 1.118 4327 L CA -0.312 54.541 54.840 0.021 0.000 0.918 4327 L CB 0.459 42.528 42.059 0.017 0.000 1.246 4327 L HN 0.080 nan 8.230 nan 0.000 0.526 4328 L N 0.000 121.234 121.223 0.019 0.000 2.949 4328 L HA 0.000 4.372 4.340 0.054 0.000 0.249 4328 L CA 0.000 54.850 54.840 0.017 0.000 0.813 4328 L CB 0.000 42.068 42.059 0.015 0.000 0.961 4328 L HN 0.000 nan 8.230 nan 0.000 0.502