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 2hpm_1_A DATA FIRST_RESID 5 DATA SEQUENCE LKFAHLHQHT QFSLLDGAAK LQDLLKWVKE TTPEDPALAM TDHGNLFGAV DATA SEQUENCE EFYKKATAMG VKPIIGYEAY VAAESRFDRK RXXXXXGGYF HLTLLAKDFT DATA SEQUENCE GYQNLVRLAS RAYLEGFYEK PRIDREILRE HAQGLIALSG CLGAEIPQFI DATA SEQUENCE LQDRLDLAEA RLNEDLSIFG DRFFIEIQNH GLPEQKKVNQ VLKEFARKYG DATA SEQUENCE LGMVATNDGH YVRKEDARAH EVLLAIQSKT TLDDPERWRF PCDEFYVKTP DATA SEQUENCE EEMRAMLPEA EWGDEPFDNT VEIARMCDVD LPIGDKMVYR IPRFPLXXGR DATA SEQUENCE TEAQYLRELT FLGLLRRYPD RITEAFYREV LRLLXXXXXX XDERALAEAL DATA SEQUENCE ARVEEKAWEE LRKRXXXXXX XXEWTAEAIL HRALYELSVI ERMGFPGYFL DATA SEQUENCE IVQDYINWAR GHGVSVGPGR GSAAGSLVAY AVGITNIDPL RFGLLFERFL DATA SEQUENCE NPERVSMPDI DTDFSDRERD RVIQYVRERY GEDKVAQIGT FGSLASKAAL DATA SEQUENCE KDVARVYGIP HKKAEELAKL IPVQFGKPKP LQEAXXXXXE LRAEMEKDER DATA SEQUENCE IRQVIEVAMR LEGLNRHASV HAAGVVIAAE PLTDLVPLMR DQEGRPVTQY DATA SEQUENCE DMGAVEALGL LKMDFLGLRT LTFLDEARRI VKESKGVELD YDRLPLDDPK DATA SEQUENCE TFELLSRGET KGVFQLESGG MTATVRGLKP RRLEDIIALV SLYRPGPMEH DATA SEQUENCE IPTYIRRHHG QEPVSYAEFP HAEKYLRPIL DETYGIPVYQ EQIMQIASQV DATA SEQUENCE AGYSLGEADL LRRAMGKKRV EEMQKHRERF VRGAKERGVP EEEANRLFDM DATA SEQUENCE LEAFANYGFN KSHAAAYSLL SYQTAYVKAH YPVEFMAALL SVERHDSDKV DATA SEQUENCE AEYIRDARAL GIPVLPPDVN RSGFDFKVVG EEILFGLSAV KNVGEMAARA DATA SEQUENCE ILEERERGGP FKSLGDFLKR LPEQVVNKRA LESLVKAGAL DAFGDRARLL DATA SEQUENCE ASLEPLLRWA AETRERGRSG LVGLFAEVEE PPLVEASPLD EITMLRYEKE DATA SEQUENCE ALGIYVSGHP VLRYPGLREV ASCTIEELSE FVRELPGKPK VLLSGMVEEV DATA SEQUENCE XXXXXXXXXX XXRFTLSDET GALEVVXXXX XXXXXXXXXK EDIPLLVLAE DATA SEQUENCE VEXXXXXRVL AQAVWTLEEV LEAPKALEVE VDHALLDEKG XARLKSLLDE DATA SEQUENCE HPGSLPVYLR VLGPFGEALF ALREVRVGEE ALGLLEAEGY RAYLVPDREV DATA SEQUENCE F 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.925 176.870 0.092 0.000 1.165 5 L CA 0.000 54.894 54.840 0.090 0.000 0.813 5 L CB 0.000 42.122 42.059 0.105 0.000 0.961 6 K N 2.271 122.746 120.400 0.125 0.000 2.556 6 K HA 0.809 5.125 4.320 -0.005 0.000 0.289 6 K C -1.849 174.831 176.600 0.133 0.000 1.040 6 K CA -0.838 55.508 56.287 0.097 0.000 0.894 6 K CB 2.182 34.703 32.500 0.036 0.000 1.547 6 K HN 0.450 nan 8.250 nan 0.000 0.417 7 F N -0.285 119.572 119.950 -0.155 0.000 2.678 7 F HA 0.670 5.193 4.527 -0.005 0.000 0.308 7 F C -2.118 173.548 175.800 -0.223 0.000 1.118 7 F CA -0.139 57.680 58.000 -0.301 0.000 0.959 7 F CB 2.430 41.113 39.000 -0.529 0.000 1.305 7 F HN 0.881 nan 8.300 nan 0.000 0.443 8 A N 2.834 124.953 122.820 -1.168 0.000 2.456 8 A HA 0.557 4.874 4.320 -0.005 0.000 0.288 8 A C -1.907 175.114 177.584 -0.939 0.000 1.042 8 A CA -0.605 50.985 52.037 -0.745 0.000 0.738 8 A CB 0.292 19.069 19.000 -0.373 0.000 1.266 8 A HN 0.856 nan 8.150 nan 0.000 0.407 9 H N 1.755 120.500 119.070 -0.542 0.000 3.004 9 H HA 0.256 4.808 4.556 -0.005 0.000 0.316 9 H C 0.854 176.057 175.328 -0.207 0.000 1.014 9 H CA 0.628 56.499 56.048 -0.294 0.000 1.454 9 H CB 0.564 30.301 29.762 -0.043 0.000 1.472 9 H HN 0.528 nan 8.280 nan 0.000 0.571 10 L N 2.425 123.596 121.223 -0.087 0.000 2.766 10 L HA 0.157 4.494 4.340 -0.005 0.000 0.242 10 L C 0.152 177.020 176.870 -0.002 0.000 1.136 10 L CA 0.179 54.976 54.840 -0.072 0.000 0.933 10 L CB 0.203 42.172 42.059 -0.149 0.000 1.241 10 L HN 0.656 nan 8.230 nan 0.000 0.522 11 H N 0.759 119.822 119.070 -0.012 0.000 2.887 11 H HA 0.397 4.950 4.556 -0.005 0.000 0.300 11 H C -0.999 174.361 175.328 0.054 0.000 1.038 11 H CA -0.441 55.602 56.048 -0.009 0.000 1.352 11 H CB 1.040 30.823 29.762 0.034 0.000 1.473 11 H HN -0.041 nan 8.280 nan 0.000 0.503 12 Q N 3.961 123.870 119.800 0.180 0.000 2.263 12 Q HA 0.224 4.561 4.340 -0.005 0.000 0.262 12 Q C -1.558 174.399 176.000 -0.073 0.000 0.984 12 Q CA -0.662 55.194 55.803 0.089 0.000 0.813 12 Q CB 0.841 29.590 28.738 0.019 0.000 1.299 12 Q HN 0.727 nan 8.270 nan 0.000 0.428 13 H N 1.326 120.298 119.070 -0.163 0.000 2.508 13 H HA 0.686 5.239 4.556 -0.005 0.000 0.358 13 H C -0.020 175.234 175.328 -0.123 0.000 1.212 13 H CA 0.291 56.190 56.048 -0.248 0.000 1.356 13 H CB 1.669 31.078 29.762 -0.587 0.000 1.525 13 H HN 0.806 nan 8.280 nan 0.000 0.578 14 T N -2.750 111.840 114.554 0.059 0.000 2.716 14 T HA 0.061 4.408 4.350 -0.005 0.000 0.286 14 T C 1.103 175.855 174.700 0.087 0.000 1.052 14 T CA -0.960 61.191 62.100 0.085 0.000 1.024 14 T CB 1.295 70.230 68.868 0.112 0.000 1.349 14 T HN 0.699 nan 8.240 nan 0.000 0.525 15 Q N -0.231 119.570 119.800 0.001 0.000 2.325 15 Q HA -0.124 4.212 4.340 -0.005 0.000 0.211 15 Q C 0.970 176.801 176.000 -0.282 0.000 0.988 15 Q CA 1.783 57.479 55.803 -0.178 0.000 0.887 15 Q CB -0.936 27.598 28.738 -0.342 0.000 0.915 15 Q HN 0.684 nan 8.270 nan 0.000 0.440 16 F N 0.918 120.901 119.950 0.056 0.000 2.797 16 F HA 0.154 4.678 4.527 -0.005 0.000 0.302 16 F C 0.739 176.618 175.800 0.132 0.000 1.130 16 F CA -0.089 57.958 58.000 0.077 0.000 1.387 16 F CB 0.639 39.676 39.000 0.062 0.000 1.107 16 F HN -0.100 nan 8.300 nan 0.000 0.577 17 S N 1.686 117.537 115.700 0.252 0.000 3.513 17 S HA 0.151 4.617 4.470 -0.005 0.000 0.209 17 S C 1.680 176.446 174.600 0.276 0.000 1.446 17 S CA -0.202 58.186 58.200 0.314 0.000 1.150 17 S CB -0.749 62.698 63.200 0.412 0.000 1.266 17 S HN 0.293 nan 8.310 nan 0.000 0.502 18 L N 0.021 121.369 121.223 0.207 0.000 2.149 18 L HA -0.303 4.034 4.340 -0.005 0.000 0.223 18 L C 2.111 179.026 176.870 0.075 0.000 1.089 18 L CA 1.654 56.543 54.840 0.081 0.000 0.800 18 L CB -1.050 41.011 42.059 0.003 0.000 0.897 18 L HN 0.481 nan 8.230 nan 0.000 0.443 19 L N -0.178 121.140 121.223 0.159 0.000 2.023 19 L HA -0.137 4.200 4.340 -0.005 0.000 0.205 19 L C 2.223 179.178 176.870 0.142 0.000 1.073 19 L CA 2.014 56.974 54.840 0.200 0.000 0.745 19 L CB -0.634 41.613 42.059 0.312 0.000 0.900 19 L HN 0.551 nan 8.230 nan 0.000 0.435 20 D N -1.035 119.478 120.400 0.188 0.000 2.441 20 D HA 0.021 4.657 4.640 -0.005 0.000 0.210 20 D C 0.912 177.363 176.300 0.251 0.000 1.102 20 D CA 0.043 54.081 54.000 0.063 0.000 0.840 20 D CB -0.022 40.816 40.800 0.063 0.000 0.990 20 D HN 0.051 nan 8.370 nan 0.000 0.505 21 G N -0.169 108.805 108.800 0.289 0.000 2.390 21 G HA2 0.488 4.445 3.960 -0.005 0.000 0.270 21 G HA3 0.488 4.445 3.960 -0.005 0.000 0.270 21 G C 0.203 175.198 174.900 0.159 0.000 1.211 21 G CA -0.174 45.088 45.100 0.269 0.000 0.842 21 G HN 0.292 nan 8.290 nan 0.000 0.519 22 A N 1.497 124.437 122.820 0.201 0.000 2.624 22 A HA 0.679 4.995 4.320 -0.005 0.000 0.287 22 A C 0.980 178.633 177.584 0.115 0.000 1.087 22 A CA 0.508 52.624 52.037 0.131 0.000 0.964 22 A CB 0.228 19.330 19.000 0.170 0.000 1.231 22 A HN 1.416 nan 8.150 nan 0.000 0.551 23 A N 1.369 124.259 122.820 0.117 0.000 2.366 23 A HA 0.499 4.816 4.320 -0.005 0.000 0.322 23 A C 0.114 177.739 177.584 0.069 0.000 1.397 23 A CA -0.375 51.721 52.037 0.099 0.000 0.984 23 A CB -0.233 18.831 19.000 0.106 0.000 1.149 23 A HN 0.359 nan 8.150 nan 0.000 0.540 24 K N 2.138 122.569 120.400 0.053 0.000 2.451 24 K HA 0.032 4.349 4.320 -0.005 0.000 0.280 24 K C 0.673 177.332 176.600 0.099 0.000 1.020 24 K CA -0.423 55.891 56.287 0.046 0.000 1.008 24 K CB 0.661 33.181 32.500 0.033 0.000 0.917 24 K HN 0.571 nan 8.250 nan 0.000 0.478 25 L N 3.465 124.771 121.223 0.137 0.000 2.043 25 L HA -0.282 4.055 4.340 -0.005 0.000 0.212 25 L C 2.499 179.478 176.870 0.183 0.000 1.075 25 L CA 1.887 56.860 54.840 0.221 0.000 0.752 25 L CB -0.639 41.606 42.059 0.310 0.000 0.891 25 L HN 0.686 nan 8.230 nan 0.000 0.432 26 Q N 0.279 120.158 119.800 0.133 0.000 1.916 26 Q HA -0.219 4.117 4.340 -0.005 0.000 0.203 26 Q C 1.715 177.779 176.000 0.108 0.000 0.983 26 Q CA 2.273 58.138 55.803 0.104 0.000 0.846 26 Q CB -0.520 28.265 28.738 0.078 0.000 0.909 26 Q HN 0.682 nan 8.270 nan 0.000 0.427 27 D N -0.145 120.314 120.400 0.097 0.000 2.351 27 D HA -0.161 4.476 4.640 -0.005 0.000 0.216 27 D C 1.755 178.150 176.300 0.157 0.000 0.968 27 D CA 1.011 55.077 54.000 0.110 0.000 0.899 27 D CB -0.316 40.527 40.800 0.072 0.000 0.907 27 D HN 0.393 nan 8.370 nan 0.000 0.514 28 L N -0.245 121.070 121.223 0.154 0.000 2.049 28 L HA 0.071 4.407 4.340 -0.005 0.000 0.203 28 L C 2.037 179.036 176.870 0.215 0.000 1.074 28 L CA 1.284 56.239 54.840 0.192 0.000 0.749 28 L CB -0.401 41.754 42.059 0.161 0.000 0.907 28 L HN 0.088 nan 8.230 nan 0.000 0.439 29 L N -0.020 121.309 121.223 0.178 0.000 2.191 29 L HA -0.199 4.138 4.340 -0.005 0.000 0.212 29 L C 2.609 179.539 176.870 0.099 0.000 1.103 29 L CA 1.793 56.714 54.840 0.134 0.000 0.769 29 L CB -0.566 41.549 42.059 0.093 0.000 0.908 29 L HN 0.472 nan 8.230 nan 0.000 0.438 30 K N -1.019 119.455 120.400 0.123 0.000 2.116 30 K HA -0.202 4.115 4.320 -0.005 0.000 0.203 30 K C 2.125 178.812 176.600 0.145 0.000 1.052 30 K CA 0.797 57.148 56.287 0.106 0.000 0.952 30 K CB -0.734 31.829 32.500 0.104 0.000 0.729 30 K HN 0.317 nan 8.250 nan 0.000 0.446 31 W N 1.976 123.294 121.300 0.031 0.000 2.363 31 W HA -0.163 4.494 4.660 -0.005 0.000 0.296 31 W C 1.247 177.786 176.519 0.033 0.000 1.212 31 W CA 1.286 58.651 57.345 0.034 0.000 1.260 31 W CB 0.189 29.672 29.460 0.040 0.000 1.131 31 W HN -0.044 nan 8.180 nan 0.000 0.530 32 V N 1.382 121.312 119.914 0.027 0.000 2.453 32 V HA -0.279 3.838 4.120 -0.005 0.000 0.247 32 V C 2.309 178.333 176.094 -0.117 0.000 1.048 32 V CA 2.310 64.569 62.300 -0.070 0.000 1.049 32 V CB -0.927 30.918 31.823 0.036 0.000 0.672 32 V HN -0.001 nan 8.190 nan 0.000 0.457 33 K N 1.147 121.503 120.400 -0.074 0.000 2.062 33 K HA -0.140 4.177 4.320 -0.005 0.000 0.205 33 K C 1.910 178.439 176.600 -0.119 0.000 1.051 33 K CA 1.691 57.931 56.287 -0.078 0.000 0.941 33 K CB -0.336 32.138 32.500 -0.042 0.000 0.719 33 K HN 0.499 nan 8.250 nan 0.000 0.440 34 E N -0.384 119.725 120.200 -0.152 0.000 2.274 34 E HA -0.089 4.258 4.350 -0.005 0.000 0.194 34 E C 1.483 177.905 176.600 -0.296 0.000 0.996 34 E CA 1.343 57.633 56.400 -0.184 0.000 0.840 34 E CB 0.079 29.697 29.700 -0.136 0.000 0.772 34 E HN 0.418 nan 8.360 nan 0.000 0.491 35 T N 0.362 114.662 114.554 -0.424 0.000 2.643 35 T HA -0.056 4.291 4.350 -0.005 0.000 0.256 35 T C 0.996 175.575 174.700 -0.201 0.000 1.061 35 T CA 1.198 63.057 62.100 -0.402 0.000 1.163 35 T CB -0.079 68.505 68.868 -0.473 0.000 0.865 35 T HN 0.095 nan 8.240 nan 0.000 0.407 36 T N 2.190 116.654 114.554 -0.151 0.000 2.821 36 T HA 0.386 4.733 4.350 -0.005 0.000 0.307 36 T C -2.195 172.457 174.700 -0.080 0.000 1.034 36 T CA -1.453 60.592 62.100 -0.091 0.000 0.953 36 T CB 1.818 70.646 68.868 -0.066 0.000 0.968 36 T HN 0.028 nan 8.240 nan 0.000 0.462 37 P HA -0.012 nan 4.420 nan 0.000 0.217 37 P C 0.462 177.733 177.300 -0.048 0.000 1.151 37 P CA 0.602 63.669 63.100 -0.055 0.000 0.828 37 P CB 0.188 31.861 31.700 -0.046 0.000 0.788 38 E N 1.273 121.448 120.200 -0.043 0.000 2.299 38 E HA -0.002 4.345 4.350 -0.005 0.000 0.272 38 E C -0.152 176.421 176.600 -0.044 0.000 1.043 38 E CA -0.030 56.348 56.400 -0.037 0.000 0.895 38 E CB -0.972 28.711 29.700 -0.029 0.000 1.011 38 E HN 0.064 nan 8.360 nan 0.000 0.432 39 D N 4.567 124.941 120.400 -0.044 0.000 2.779 39 D HA -0.166 4.471 4.640 -0.005 0.000 0.223 39 D C -2.010 174.255 176.300 -0.058 0.000 1.227 39 D CA 0.360 54.331 54.000 -0.049 0.000 0.653 39 D CB -0.719 40.055 40.800 -0.043 0.000 0.973 39 D HN 0.409 nan 8.370 nan 0.000 0.402 40 P HA 0.396 nan 4.420 nan 0.000 0.272 40 P C -0.787 176.477 177.300 -0.060 0.000 1.223 40 P CA -0.266 62.796 63.100 -0.063 0.000 0.784 40 P CB 1.414 33.078 31.700 -0.061 0.000 0.923 41 A N 1.834 124.619 122.820 -0.058 0.000 2.572 41 A HA 0.720 5.037 4.320 -0.005 0.000 0.295 41 A C -1.828 175.754 177.584 -0.002 0.000 1.072 41 A CA -0.596 51.417 52.037 -0.039 0.000 0.691 41 A CB 1.482 20.445 19.000 -0.062 0.000 1.291 41 A HN 0.503 nan 8.150 nan 0.000 0.404 42 L N 0.906 122.167 121.223 0.064 0.000 2.493 42 L HA 0.800 5.137 4.340 -0.005 0.000 0.265 42 L C -0.203 176.773 176.870 0.177 0.000 0.954 42 L CA -0.039 54.879 54.840 0.129 0.000 0.844 42 L CB 1.800 43.988 42.059 0.214 0.000 1.302 42 L HN 1.246 nan 8.230 nan 0.000 0.405 43 A N 5.735 128.595 122.820 0.066 0.000 2.290 43 A HA 0.620 4.937 4.320 -0.005 0.000 0.310 43 A C -0.311 177.199 177.584 -0.124 0.000 1.202 43 A CA -0.470 51.570 52.037 0.006 0.000 0.837 43 A CB 0.595 19.564 19.000 -0.051 0.000 1.139 43 A HN 0.801 nan 8.150 nan 0.000 0.509 44 M N 4.418 123.862 119.600 -0.260 0.000 2.111 44 M HA 0.220 4.697 4.480 -0.005 0.000 0.351 44 M C -0.108 175.989 176.300 -0.338 0.000 1.214 44 M CA 0.017 55.008 55.300 -0.515 0.000 1.120 44 M CB 0.173 32.149 32.600 -1.040 0.000 1.443 44 M HN 0.731 nan 8.290 nan 0.000 0.429 45 T N 0.048 114.373 114.554 -0.381 0.000 3.378 45 T HA 0.333 4.680 4.350 -0.005 0.000 0.359 45 T C -0.268 174.031 174.700 -0.668 0.000 1.815 45 T CA -0.916 60.900 62.100 -0.474 0.000 1.509 45 T CB 0.007 68.507 68.868 -0.613 0.000 1.049 45 T HN 0.435 nan 8.240 nan 0.000 0.705 46 D N 1.937 122.092 120.400 -0.408 0.000 2.382 46 D HA 0.042 4.679 4.640 -0.005 0.000 0.240 46 D C 0.530 176.655 176.300 -0.292 0.000 1.146 46 D CA -0.048 53.777 54.000 -0.292 0.000 0.897 46 D CB 0.523 41.282 40.800 -0.069 0.000 1.197 46 D HN 0.453 nan 8.370 nan 0.000 0.432 47 H N 0.878 119.946 119.070 -0.004 0.000 3.362 47 H HA 0.176 4.729 4.556 -0.005 0.000 0.248 47 H C 1.273 176.531 175.328 -0.117 0.000 1.276 47 H CA 0.530 56.540 56.048 -0.064 0.000 1.520 47 H CB -0.431 29.451 29.762 0.201 0.000 1.624 47 H HN 0.658 nan 8.280 nan 0.000 0.502 48 G N 3.896 112.470 108.800 -0.376 0.000 2.273 48 G HA2 -0.317 3.640 3.960 -0.005 0.000 0.280 48 G HA3 -0.317 3.640 3.960 -0.005 0.000 0.280 48 G C 0.087 175.086 174.900 0.165 0.000 1.047 48 G CA 0.665 45.584 45.100 -0.302 0.000 0.869 48 G HN 0.856 nan 8.290 nan 0.000 0.502 49 N N -2.628 116.173 118.700 0.169 0.000 3.020 49 N HA 0.613 5.349 4.740 -0.005 0.000 0.248 49 N C -0.187 175.252 175.510 -0.118 0.000 1.480 49 N CA -1.120 51.865 53.050 -0.109 0.000 0.874 49 N CB 0.497 38.310 38.487 -1.123 0.000 1.433 49 N HN 0.092 nan 8.380 nan 0.000 0.530 50 L N 0.126 121.171 121.223 -0.297 0.000 3.016 50 L HA 0.531 4.868 4.340 -0.005 0.000 0.267 50 L C 0.649 177.541 176.870 0.037 0.000 1.182 50 L CA -0.235 54.540 54.840 -0.108 0.000 0.997 50 L CB -0.784 41.177 42.059 -0.163 0.000 1.354 50 L HN 0.731 nan 8.230 nan 0.000 0.569 51 F N -0.140 119.775 119.950 -0.058 0.000 2.082 51 F HA -0.342 4.182 4.527 -0.006 0.000 0.298 51 F C 2.279 177.737 175.800 -0.569 0.000 1.091 51 F CA 1.084 58.943 58.000 -0.235 0.000 1.230 51 F CB -0.706 38.092 39.000 -0.337 0.000 0.983 51 F HN 0.316 nan 8.300 nan 0.000 0.485 52 G N -0.501 107.981 108.800 -0.530 0.000 2.575 52 G HA2 -0.082 3.874 3.960 -0.005 0.000 0.215 52 G HA3 -0.082 3.874 3.960 -0.005 0.000 0.215 52 G C 1.621 176.411 174.900 -0.183 0.000 1.262 52 G CA 1.549 46.213 45.100 -0.726 0.000 0.807 52 G HN 0.535 nan 8.290 nan 0.000 0.567 53 A N -0.643 122.187 122.820 0.017 0.000 2.018 53 A HA -0.345 3.972 4.320 -0.005 0.000 0.316 53 A C 2.474 180.163 177.584 0.175 0.000 4.379 53 A CA 3.922 56.077 52.037 0.197 0.000 1.023 53 A CB -1.531 17.650 19.000 0.302 0.000 0.534 53 A HN 0.936 nan 8.150 nan 0.000 0.453 54 V N -0.263 119.606 119.914 -0.076 0.000 2.220 54 V HA -0.243 3.874 4.120 -0.005 0.000 0.246 54 V C 2.581 178.672 176.094 -0.005 0.000 1.049 54 V CA 2.479 64.675 62.300 -0.174 0.000 1.003 54 V CB -0.822 30.682 31.823 -0.532 0.000 0.634 54 V HN 0.725 nan 8.190 nan 0.000 0.444 55 E N -0.654 119.528 120.200 -0.029 0.000 2.331 55 E HA -0.226 4.121 4.350 -0.005 0.000 0.199 55 E C 1.933 178.608 176.600 0.125 0.000 1.008 55 E CA 1.259 57.684 56.400 0.042 0.000 0.843 55 E CB -0.103 29.628 29.700 0.052 0.000 0.761 55 E HN 0.632 nan 8.360 nan 0.000 0.507 56 F N 0.192 120.144 119.950 0.003 0.000 2.074 56 F HA -0.179 4.344 4.527 -0.005 0.000 0.290 56 F C 2.294 178.131 175.800 0.062 0.000 1.118 56 F CA 1.504 59.532 58.000 0.047 0.000 1.199 56 F CB -1.144 37.882 39.000 0.044 0.000 1.012 56 F HN 0.013 nan 8.300 nan 0.000 0.472 57 Y N 2.315 122.504 120.300 -0.184 0.000 2.096 57 Y HA -0.418 4.129 4.550 -0.005 0.000 0.276 57 Y C 2.478 178.215 175.900 -0.272 0.000 1.209 57 Y CA 3.051 60.978 58.100 -0.288 0.000 1.137 57 Y CB -0.659 37.747 38.460 -0.089 0.000 0.956 57 Y HN 0.341 nan 8.280 nan 0.000 0.506 58 K N -0.269 120.087 120.400 -0.073 0.000 2.296 58 K HA -0.063 4.254 4.320 -0.005 0.000 0.200 58 K C 1.937 178.418 176.600 -0.197 0.000 1.048 58 K CA 1.332 57.534 56.287 -0.141 0.000 0.966 58 K CB -0.154 32.351 32.500 0.008 0.000 0.754 58 K HN 0.240 nan 8.250 nan 0.000 0.466 59 K N 0.506 120.793 120.400 -0.189 0.000 2.076 59 K HA 0.056 4.373 4.320 -0.005 0.000 0.204 59 K C 2.245 178.708 176.600 -0.229 0.000 1.051 59 K CA 1.056 57.252 56.287 -0.151 0.000 0.949 59 K CB -0.038 32.428 32.500 -0.057 0.000 0.726 59 K HN 0.276 nan 8.250 nan 0.000 0.443 60 A N 0.513 123.094 122.820 -0.398 0.000 1.968 60 A HA -0.094 4.223 4.320 -0.005 0.000 0.217 60 A C 2.167 179.536 177.584 -0.359 0.000 1.169 60 A CA 1.605 53.402 52.037 -0.398 0.000 0.638 60 A CB -0.635 17.997 19.000 -0.614 0.000 0.812 60 A HN 0.195 nan 8.150 nan 0.000 0.446 61 T N -0.484 113.792 114.554 -0.463 0.000 2.821 61 T HA 0.064 4.411 4.350 -0.005 0.000 0.267 61 T C 1.672 176.211 174.700 -0.267 0.000 1.046 61 T CA 1.533 63.368 62.100 -0.442 0.000 1.139 61 T CB -0.227 68.226 68.868 -0.691 0.000 0.871 61 T HN 0.496 nan 8.240 nan 0.000 0.454 62 A N -0.382 122.307 122.820 -0.218 0.000 2.308 62 A HA 0.419 4.736 4.320 -0.005 0.000 0.217 62 A C 1.974 179.491 177.584 -0.111 0.000 1.216 62 A CA -0.030 51.923 52.037 -0.140 0.000 0.864 62 A CB -0.196 18.737 19.000 -0.111 0.000 0.902 62 A HN 0.412 nan 8.150 nan 0.000 0.499 63 M N -1.876 117.648 119.600 -0.126 0.000 2.486 63 M HA 0.147 4.624 4.480 -0.005 0.000 0.264 63 M C 1.447 177.695 176.300 -0.087 0.000 1.125 63 M CA 1.405 56.650 55.300 -0.092 0.000 1.144 63 M CB 0.483 33.031 32.600 -0.086 0.000 1.353 63 M HN 0.663 nan 8.290 nan 0.000 0.466 64 G N 0.362 109.095 108.800 -0.112 0.000 2.227 64 G HA2 -0.130 3.827 3.960 -0.005 0.000 0.168 64 G HA3 -0.130 3.827 3.960 -0.005 0.000 0.168 64 G C -0.164 174.674 174.900 -0.103 0.000 1.006 64 G CA -0.452 44.590 45.100 -0.097 0.000 0.684 64 G HN 0.246 nan 8.290 nan 0.000 0.489 65 V N 1.433 121.270 119.914 -0.129 0.000 2.472 65 V HA 0.512 4.629 4.120 -0.005 0.000 0.290 65 V C 0.692 176.691 176.094 -0.158 0.000 1.037 65 V CA -0.769 61.458 62.300 -0.122 0.000 0.908 65 V CB 1.773 33.532 31.823 -0.107 0.000 0.985 65 V HN 0.346 nan 8.190 nan 0.000 0.454 66 K N 7.251 127.583 120.400 -0.113 0.000 2.349 66 K HA 0.327 4.643 4.320 -0.005 0.000 0.288 66 K C -2.417 174.143 176.600 -0.068 0.000 1.058 66 K CA -1.292 54.935 56.287 -0.101 0.000 0.953 66 K CB 1.021 33.485 32.500 -0.060 0.000 0.997 66 K HN 0.422 nan 8.250 nan 0.000 0.477 67 P HA 0.313 nan 4.420 nan 0.000 0.282 67 P C -0.913 176.500 177.300 0.189 0.000 1.259 67 P CA -0.500 62.635 63.100 0.059 0.000 0.826 67 P CB 1.155 32.771 31.700 -0.140 0.000 1.064 68 I N 1.311 122.049 120.570 0.280 0.000 2.533 68 I HA 0.391 4.558 4.170 -0.005 0.000 0.290 68 I C 0.127 176.360 176.117 0.195 0.000 1.056 68 I CA -0.745 60.666 61.300 0.186 0.000 1.057 68 I CB 1.934 39.983 38.000 0.080 0.000 1.240 68 I HN 0.136 nan 8.210 nan 0.000 0.423 69 I N 4.767 125.445 120.570 0.180 0.000 2.342 69 I HA 0.685 4.852 4.170 -0.005 0.000 0.291 69 I C 0.681 176.827 176.117 0.048 0.000 1.010 69 I CA 0.107 61.497 61.300 0.149 0.000 1.308 69 I CB 1.188 39.335 38.000 0.245 0.000 1.400 69 I HN 0.764 nan 8.210 nan 0.000 0.488 70 G N 4.616 113.404 108.800 -0.019 0.000 2.727 70 G HA2 0.602 4.559 3.960 -0.005 0.000 0.289 70 G HA3 0.602 4.559 3.960 -0.005 0.000 0.289 70 G C -2.210 172.682 174.900 -0.013 0.000 1.418 70 G CA -0.307 44.762 45.100 -0.052 0.000 0.818 70 G HN 0.339 nan 8.290 nan 0.000 0.486 71 Y N 0.291 120.449 120.300 -0.237 0.000 2.301 71 Y HA 0.381 4.928 4.550 -0.005 0.000 0.334 71 Y C -0.360 175.378 175.900 -0.271 0.000 1.158 71 Y CA -1.102 56.858 58.100 -0.234 0.000 1.266 71 Y CB 1.556 39.919 38.460 -0.161 0.000 1.153 71 Y HN 0.620 nan 8.280 nan 0.000 0.453 72 E N 4.336 124.212 120.200 -0.540 0.000 1.881 72 E HA 0.528 4.875 4.350 -0.005 0.000 0.264 72 E C -0.431 175.693 176.600 -0.793 0.000 1.243 72 E CA -0.026 56.044 56.400 -0.550 0.000 0.965 72 E CB 0.128 29.566 29.700 -0.438 0.000 1.055 72 E HN 0.628 nan 8.360 nan 0.000 0.412 73 A N 4.519 126.928 122.820 -0.685 0.000 2.354 73 A HA 0.247 4.564 4.320 -0.005 0.000 0.269 73 A C -1.051 176.243 177.584 -0.482 0.000 1.109 73 A CA -0.345 51.272 52.037 -0.700 0.000 0.800 73 A CB 0.257 19.144 19.000 -0.189 0.000 1.045 73 A HN 0.676 nan 8.150 nan 0.000 0.489 74 Y N 1.509 121.667 120.300 -0.237 0.000 2.452 74 Y HA 0.380 4.928 4.550 -0.005 0.000 0.348 74 Y C 0.682 176.603 175.900 0.034 0.000 0.985 74 Y CA -0.124 57.903 58.100 -0.121 0.000 1.214 74 Y CB 1.199 39.482 38.460 -0.296 0.000 1.136 74 Y HN 0.547 nan 8.280 nan 0.000 0.523 75 V N 2.059 122.138 119.914 0.274 0.000 2.427 75 V HA 0.892 5.008 4.120 -0.005 0.000 0.286 75 V C 0.045 176.315 176.094 0.293 0.000 1.034 75 V CA -0.849 61.590 62.300 0.232 0.000 0.893 75 V CB 0.804 32.735 31.823 0.181 0.000 0.982 75 V HN 0.814 nan 8.190 nan 0.000 0.452 76 A N 4.797 127.743 122.820 0.210 0.000 2.371 76 A HA 0.760 5.077 4.320 -0.005 0.000 0.257 76 A C 1.597 179.248 177.584 0.111 0.000 1.089 76 A CA 0.151 52.316 52.037 0.215 0.000 0.794 76 A CB 0.790 19.874 19.000 0.140 0.000 1.029 76 A HN 2.091 nan 8.150 nan 0.000 0.488 77 A N 1.108 124.005 122.820 0.129 0.000 1.881 77 A HA -0.143 4.174 4.320 -0.005 0.000 0.219 77 A C 1.598 179.180 177.584 -0.002 0.000 1.215 77 A CA 2.284 54.327 52.037 0.009 0.000 0.648 77 A CB -0.501 18.567 19.000 0.113 0.000 0.832 77 A HN 0.833 nan 8.150 nan 0.000 0.455 78 E N -1.464 118.756 120.200 0.033 0.000 3.868 78 E HA 0.304 4.651 4.350 -0.005 0.000 0.331 78 E C 0.305 176.922 176.600 0.028 0.000 0.699 78 E CA -0.059 56.355 56.400 0.023 0.000 1.672 78 E CB -0.814 28.902 29.700 0.027 0.000 2.271 78 E HN 0.232 nan 8.360 nan 0.000 0.482 79 S N 1.049 116.773 115.700 0.040 0.000 2.545 79 S HA 0.078 4.544 4.470 -0.005 0.000 0.275 79 S C 1.201 175.810 174.600 0.015 0.000 1.299 79 S CA -0.418 57.811 58.200 0.048 0.000 1.048 79 S CB 0.475 63.752 63.200 0.129 0.000 0.938 79 S HN 0.428 nan 8.310 nan 0.000 0.496 80 R N 3.364 123.815 120.500 -0.081 0.000 2.211 80 R HA -0.139 4.198 4.340 -0.005 0.000 0.240 80 R C 1.104 177.305 176.300 -0.165 0.000 1.144 80 R CA 1.794 57.802 56.100 -0.153 0.000 0.992 80 R CB -0.703 29.429 30.300 -0.280 0.000 0.869 80 R HN 0.686 nan 8.270 nan 0.000 0.462 81 F N 1.845 121.803 119.950 0.014 0.000 2.558 81 F HA 0.039 4.562 4.527 -0.006 0.000 0.298 81 F C 0.957 176.728 175.800 -0.048 0.000 1.119 81 F CA -0.228 57.770 58.000 -0.003 0.000 1.451 81 F CB -0.027 38.973 39.000 0.000 0.000 1.091 81 F HN -0.051 nan 8.300 nan 0.000 0.563 82 D N 0.954 121.409 120.400 0.091 0.000 2.370 82 D HA 0.029 4.666 4.640 -0.005 0.000 0.235 82 D C 0.571 176.752 176.300 -0.198 0.000 1.228 82 D CA 0.649 54.632 54.000 -0.028 0.000 0.884 82 D CB 0.475 41.257 40.800 -0.031 0.000 1.201 82 D HN 0.086 nan 8.370 nan 0.000 0.456 83 R N 1.410 121.719 120.500 -0.319 0.000 2.570 83 R HA 0.129 4.466 4.340 -0.005 0.000 0.246 83 R C -0.589 175.398 176.300 -0.521 0.000 1.417 83 R CA -0.462 55.204 56.100 -0.723 0.000 1.525 83 R CB 0.369 30.411 30.300 -0.429 0.000 1.403 83 R HN 0.176 nan 8.270 nan 0.000 0.754 84 K N 1.824 122.007 120.400 -0.362 0.000 2.285 84 K HA 0.290 4.607 4.320 -0.005 0.000 0.286 84 K C 0.216 176.815 176.600 -0.001 0.000 1.072 84 K CA -0.107 56.107 56.287 -0.122 0.000 0.913 84 K CB 0.911 33.376 32.500 -0.058 0.000 1.067 84 K HN 0.132 nan 8.250 nan 0.000 0.479 92 G N -1.118 107.733 108.800 0.085 0.000 3.086 92 G HA2 0.612 4.569 3.960 -0.005 0.000 0.159 92 G HA3 0.612 4.569 3.960 -0.005 0.000 0.159 92 G C -0.538 174.444 174.900 0.138 0.000 1.654 92 G CA 0.594 45.661 45.100 -0.055 0.000 1.078 92 G HN 1.553 nan 8.290 nan 0.000 0.558 93 Y N -2.413 118.056 120.300 0.280 0.000 2.513 93 Y HA 0.767 5.314 4.550 -0.006 0.000 0.340 93 Y C -1.760 174.444 175.900 0.507 0.000 1.055 93 Y CA -2.950 55.395 58.100 0.409 0.000 1.020 93 Y CB 0.614 39.220 38.460 0.243 0.000 1.301 93 Y HN 0.260 nan 8.280 nan 0.000 0.453 94 F N 1.299 121.549 119.950 0.498 0.000 2.572 94 F HA 0.562 5.086 4.527 -0.005 0.000 0.342 94 F C 0.579 176.665 175.800 0.476 0.000 1.064 94 F CA -1.212 57.050 58.000 0.437 0.000 1.008 94 F CB 1.200 40.375 39.000 0.291 0.000 1.303 94 F HN 0.622 nan 8.300 nan 0.000 0.492 95 H N 0.249 119.538 119.070 0.366 0.000 2.495 95 H HA 0.679 5.232 4.556 -0.006 0.000 0.350 95 H C -1.280 174.152 175.328 0.174 0.000 1.202 95 H CA -0.859 55.292 56.048 0.173 0.000 1.322 95 H CB 2.115 31.976 29.762 0.164 0.000 1.544 95 H HN 0.359 nan 8.280 nan 0.000 0.565 96 L N 1.104 122.420 121.223 0.156 0.000 2.795 96 L HA 0.123 4.460 4.340 -0.005 0.000 0.260 96 L C -0.922 175.934 176.870 -0.025 0.000 0.935 96 L CA -0.249 54.658 54.840 0.111 0.000 0.985 96 L CB 1.883 44.026 42.059 0.139 0.000 1.433 96 L HN 0.536 nan 8.230 nan 0.000 0.447 97 T N 5.873 120.401 114.554 -0.044 0.000 2.761 97 T HA 0.563 4.910 4.350 -0.005 0.000 0.296 97 T C -0.216 174.386 174.700 -0.163 0.000 0.934 97 T CA 0.033 62.020 62.100 -0.188 0.000 1.091 97 T CB 0.167 68.911 68.868 -0.206 0.000 0.896 97 T HN 0.395 nan 8.240 nan 0.000 0.515 98 L N 4.442 125.580 121.223 -0.142 0.000 2.385 98 L HA 0.597 4.934 4.340 -0.005 0.000 0.273 98 L C -0.634 176.199 176.870 -0.062 0.000 0.990 98 L CA -0.922 53.880 54.840 -0.064 0.000 0.821 98 L CB 1.677 43.773 42.059 0.061 0.000 1.279 98 L HN 0.398 nan 8.230 nan 0.000 0.412 99 L N 2.627 123.821 121.223 -0.049 0.000 2.365 99 L HA 0.684 5.021 4.340 -0.005 0.000 0.273 99 L C -0.028 176.854 176.870 0.020 0.000 1.000 99 L CA -0.744 54.080 54.840 -0.027 0.000 0.819 99 L CB 2.126 44.155 42.059 -0.050 0.000 1.284 99 L HN 0.636 nan 8.230 nan 0.000 0.418 100 A N 2.277 125.120 122.820 0.037 0.000 2.269 100 A HA 0.330 4.647 4.320 -0.005 0.000 0.302 100 A C 0.759 178.389 177.584 0.077 0.000 1.266 100 A CA -0.493 51.580 52.037 0.060 0.000 0.894 100 A CB 0.671 19.710 19.000 0.065 0.000 1.147 100 A HN 0.936 nan 8.150 nan 0.000 0.537 101 K N 2.310 122.757 120.400 0.079 0.000 2.128 101 K HA 0.025 4.342 4.320 -0.005 0.000 0.202 101 K C 0.172 176.826 176.600 0.091 0.000 1.050 101 K CA 1.395 57.729 56.287 0.079 0.000 0.966 101 K CB -0.007 32.541 32.500 0.079 0.000 0.759 101 K HN 0.735 nan 8.250 nan 0.000 0.454 102 D N -2.097 118.364 120.400 0.101 0.000 2.553 102 D HA 0.091 4.728 4.640 -0.005 0.000 0.249 102 D C 0.535 176.935 176.300 0.167 0.000 1.062 102 D CA -0.901 53.175 54.000 0.127 0.000 1.085 102 D CB 0.261 41.128 40.800 0.112 0.000 1.350 102 D HN -0.061 nan 8.370 nan 0.000 0.575 103 F N 0.277 120.255 119.950 0.046 0.000 2.126 103 F HA -0.149 4.375 4.527 -0.005 0.000 0.299 103 F C 2.094 177.962 175.800 0.113 0.000 1.096 103 F CA 1.854 59.889 58.000 0.058 0.000 1.255 103 F CB -0.630 38.367 39.000 -0.005 0.000 0.997 103 F HN 0.394 nan 8.300 nan 0.000 0.479 104 T N -0.149 114.434 114.554 0.049 0.000 2.699 104 T HA -0.190 4.157 4.350 -0.005 0.000 0.268 104 T C 2.192 176.840 174.700 -0.086 0.000 1.036 104 T CA 1.478 63.554 62.100 -0.040 0.000 1.147 104 T CB -1.266 67.625 68.868 0.038 0.000 0.862 104 T HN 0.481 nan 8.240 nan 0.000 0.446 105 G N 0.153 108.943 108.800 -0.018 0.000 2.476 105 G HA2 -0.298 3.658 3.960 -0.005 0.000 0.218 105 G HA3 -0.298 3.658 3.960 -0.005 0.000 0.218 105 G C 1.334 176.186 174.900 -0.080 0.000 1.164 105 G CA 1.116 46.209 45.100 -0.012 0.000 0.768 105 G HN 0.605 nan 8.290 nan 0.000 0.560 106 Y N 1.261 121.420 120.300 -0.235 0.000 2.128 106 Y HA -0.225 4.322 4.550 -0.005 0.000 0.284 106 Y C 3.050 178.727 175.900 -0.372 0.000 1.154 106 Y CA 2.455 60.375 58.100 -0.299 0.000 1.149 106 Y CB -0.322 37.920 38.460 -0.364 0.000 0.976 106 Y HN 0.321 nan 8.280 nan 0.000 0.505 107 Q N 0.036 119.562 119.800 -0.457 0.000 2.014 107 Q HA -0.253 4.084 4.340 -0.005 0.000 0.207 107 Q C 1.986 177.750 176.000 -0.393 0.000 0.993 107 Q CA 1.845 57.390 55.803 -0.431 0.000 0.850 107 Q CB -0.360 28.203 28.738 -0.292 0.000 0.916 107 Q HN 0.479 nan 8.270 nan 0.000 0.417 108 N N 0.300 118.834 118.700 -0.276 0.000 2.272 108 N HA -0.107 4.629 4.740 -0.005 0.000 0.185 108 N C 1.591 176.914 175.510 -0.311 0.000 1.014 108 N CA 0.789 53.691 53.050 -0.246 0.000 0.870 108 N CB -0.131 38.317 38.487 -0.065 0.000 0.975 108 N HN 0.205 nan 8.380 nan 0.000 0.433 109 L N -0.192 120.821 121.223 -0.350 0.000 2.044 109 L HA -0.087 4.249 4.340 -0.005 0.000 0.205 109 L C 1.988 178.518 176.870 -0.567 0.000 1.075 109 L CA 0.883 55.465 54.840 -0.430 0.000 0.747 109 L CB -0.513 41.317 42.059 -0.381 0.000 0.903 109 L HN 0.003 nan 8.230 nan 0.000 0.435 110 V N 0.158 119.692 119.914 -0.633 0.000 2.324 110 V HA -0.326 3.791 4.120 -0.005 0.000 0.250 110 V C 2.646 178.476 176.094 -0.439 0.000 1.060 110 V CA 1.806 63.766 62.300 -0.567 0.000 1.042 110 V CB -0.639 30.841 31.823 -0.571 0.000 0.650 110 V HN 0.459 nan 8.190 nan 0.000 0.450 111 R N -0.517 119.725 120.500 -0.431 0.000 2.070 111 R HA -0.122 4.215 4.340 -0.005 0.000 0.233 111 R C 2.326 178.400 176.300 -0.377 0.000 1.137 111 R CA 1.537 57.388 56.100 -0.415 0.000 0.945 111 R CB -0.566 29.384 30.300 -0.583 0.000 0.845 111 R HN 0.383 nan 8.270 nan 0.000 0.430 112 L N 0.450 121.435 121.223 -0.397 0.000 1.970 112 L HA -0.223 4.114 4.340 -0.005 0.000 0.212 112 L C 2.732 179.475 176.870 -0.211 0.000 1.071 112 L CA 1.609 56.296 54.840 -0.255 0.000 0.751 112 L CB -0.604 41.339 42.059 -0.194 0.000 0.889 112 L HN 0.278 nan 8.230 nan 0.000 0.432 113 A N -1.350 121.203 122.820 -0.445 0.000 1.972 113 A HA -0.201 4.116 4.320 -0.005 0.000 0.219 113 A C 2.481 180.069 177.584 0.006 0.000 1.169 113 A CA 2.023 53.898 52.037 -0.269 0.000 0.635 113 A CB -0.583 18.079 19.000 -0.563 0.000 0.810 113 A HN 0.388 nan 8.150 nan 0.000 0.446 114 S N -0.814 114.813 115.700 -0.121 0.000 2.343 114 S HA -0.152 4.315 4.470 -0.005 0.000 0.219 114 S C 2.144 176.762 174.600 0.031 0.000 1.033 114 S CA 1.490 59.656 58.200 -0.057 0.000 1.014 114 S CB -0.278 62.841 63.200 -0.136 0.000 0.915 114 S HN 0.632 nan 8.310 nan 0.000 0.435 115 R N 0.682 121.169 120.500 -0.021 0.000 2.096 115 R HA 0.001 4.338 4.340 -0.005 0.000 0.235 115 R C 2.427 178.756 176.300 0.049 0.000 1.127 115 R CA 1.084 57.187 56.100 0.005 0.000 0.968 115 R CB -0.408 29.876 30.300 -0.027 0.000 0.861 115 R HN 0.398 nan 8.270 nan 0.000 0.440 116 A N -0.394 122.475 122.820 0.081 0.000 2.024 116 A HA -0.186 4.130 4.320 -0.005 0.000 0.220 116 A C 1.597 179.230 177.584 0.082 0.000 1.164 116 A CA 1.201 53.291 52.037 0.088 0.000 0.643 116 A CB -0.404 18.687 19.000 0.152 0.000 0.806 116 A HN 0.371 nan 8.150 nan 0.000 0.451 117 Y N -0.762 119.603 120.300 0.108 0.000 2.301 117 Y HA 0.112 4.658 4.550 -0.006 0.000 0.295 117 Y C 2.136 178.074 175.900 0.064 0.000 1.119 117 Y CA 1.154 59.308 58.100 0.090 0.000 1.162 117 Y CB -0.002 38.468 38.460 0.016 0.000 1.046 117 Y HN 0.169 nan 8.280 nan 0.000 0.538 118 L N -0.629 120.709 121.223 0.192 0.000 2.049 118 L HA -0.090 4.246 4.340 -0.005 0.000 0.203 118 L C 1.985 178.929 176.870 0.123 0.000 1.074 118 L CA 1.440 56.356 54.840 0.127 0.000 0.749 118 L CB -0.423 41.683 42.059 0.079 0.000 0.907 118 L HN 0.126 nan 8.230 nan 0.000 0.439 119 E N -0.141 120.100 120.200 0.068 0.000 2.190 119 E HA 0.020 4.367 4.350 -0.005 0.000 0.191 119 E C 1.216 177.760 176.600 -0.092 0.000 0.978 119 E CA 0.750 57.140 56.400 -0.017 0.000 0.839 119 E CB 0.111 29.724 29.700 -0.146 0.000 0.787 119 E HN 0.437 nan 8.360 nan 0.000 0.473 120 G N 1.001 109.786 108.800 -0.025 0.000 4.828 120 G HA2 0.187 4.144 3.960 -0.005 0.000 0.294 120 G HA3 0.187 4.144 3.960 -0.005 0.000 0.294 120 G C -1.068 173.895 174.900 0.105 0.000 1.288 120 G CA -0.484 44.606 45.100 -0.018 0.000 0.987 120 G HN -0.011 nan 8.290 nan 0.000 0.587 121 F N 1.968 121.930 119.950 0.021 0.000 2.371 121 F HA 0.572 5.096 4.527 -0.006 0.000 0.363 121 F C 0.616 176.503 175.800 0.144 0.000 1.122 121 F CA -1.239 56.777 58.000 0.026 0.000 1.129 121 F CB 0.965 39.985 39.000 0.033 0.000 1.173 121 F HN 0.217 nan 8.300 nan 0.000 0.489 122 Y N 3.806 123.791 120.300 -0.524 0.000 2.435 122 Y HA 0.231 4.778 4.550 -0.005 0.000 0.251 122 Y C 1.594 177.083 175.900 -0.685 0.000 1.077 122 Y CA 1.211 59.063 58.100 -0.414 0.000 1.243 122 Y CB -0.133 38.224 38.460 -0.170 0.000 1.107 122 Y HN 0.595 nan 8.280 nan 0.000 0.496 123 E N -0.558 119.188 120.200 -0.756 0.000 2.228 123 E HA 0.117 4.464 4.350 -0.005 0.000 0.197 123 E C 0.048 176.188 176.600 -0.767 0.000 0.909 123 E CA 0.109 56.083 56.400 -0.710 0.000 0.911 123 E CB 0.486 29.944 29.700 -0.403 0.000 0.887 123 E HN 0.027 nan 8.360 nan 0.000 0.481 124 K N 1.067 121.006 120.400 -0.768 0.000 2.211 124 K HA 0.370 4.687 4.320 -0.005 0.000 0.237 124 K C -2.628 173.585 176.600 -0.646 0.000 1.002 124 K CA -2.234 53.583 56.287 -0.783 0.000 0.885 124 K CB 1.225 32.839 32.500 -1.476 0.000 1.136 124 K HN -0.062 nan 8.250 nan 0.000 0.448 125 P HA 0.332 nan 4.420 nan 0.000 0.293 125 P C -1.082 176.171 177.300 -0.079 0.000 1.313 125 P CA -0.424 62.598 63.100 -0.130 0.000 0.787 125 P CB 0.687 32.002 31.700 -0.641 0.000 0.910 126 R N 3.200 123.690 120.500 -0.016 0.000 2.637 126 R HA 0.699 5.036 4.340 -0.005 0.000 0.291 126 R C 0.280 176.620 176.300 0.068 0.000 0.963 126 R CA -1.038 55.096 56.100 0.058 0.000 0.901 126 R CB 1.842 32.185 30.300 0.072 0.000 1.160 126 R HN 0.505 nan 8.270 nan 0.000 0.457 127 I N -1.901 118.732 120.570 0.105 0.000 2.607 127 I HA 0.497 4.664 4.170 -0.005 0.000 0.305 127 I C -0.512 175.643 176.117 0.063 0.000 0.995 127 I CA -0.976 60.372 61.300 0.080 0.000 1.148 127 I CB 1.569 39.647 38.000 0.130 0.000 1.323 127 I HN 0.297 nan 8.210 nan 0.000 0.461 128 D N 3.125 123.537 120.400 0.019 0.000 2.360 128 D HA 0.208 4.845 4.640 -0.005 0.000 0.242 128 D C 0.879 177.198 176.300 0.033 0.000 1.184 128 D CA -0.125 53.881 54.000 0.011 0.000 0.930 128 D CB 1.115 41.903 40.800 -0.021 0.000 1.161 128 D HN 0.546 nan 8.370 nan 0.000 0.447 129 R N 0.302 120.813 120.500 0.018 0.000 2.236 129 R HA -0.043 4.294 4.340 -0.005 0.000 0.208 129 R C 1.707 177.992 176.300 -0.025 0.000 1.036 129 R CA 0.382 56.486 56.100 0.008 0.000 1.001 129 R CB 0.194 30.489 30.300 -0.008 0.000 0.896 129 R HN 0.526 nan 8.270 nan 0.000 0.464 130 E N 1.264 121.450 120.200 -0.024 0.000 2.031 130 E HA -0.205 4.142 4.350 -0.005 0.000 0.193 130 E C 1.902 178.472 176.600 -0.050 0.000 0.994 130 E CA 1.567 57.944 56.400 -0.038 0.000 0.800 130 E CB 0.003 29.693 29.700 -0.017 0.000 0.752 130 E HN 0.419 nan 8.360 nan 0.000 0.447 131 I N -1.458 119.100 120.570 -0.019 0.000 2.617 131 I HA -0.115 4.052 4.170 -0.005 0.000 0.256 131 I C 2.426 178.563 176.117 0.035 0.000 1.167 131 I CA 0.525 61.831 61.300 0.009 0.000 1.469 131 I CB -0.263 37.780 38.000 0.072 0.000 1.098 131 I HN 0.080 nan 8.210 nan 0.000 0.436 132 L N 1.498 122.737 121.223 0.025 0.000 2.046 132 L HA -0.182 4.155 4.340 -0.005 0.000 0.208 132 L C 3.008 179.810 176.870 -0.114 0.000 1.077 132 L CA 1.714 56.571 54.840 0.028 0.000 0.747 132 L CB -0.430 41.673 42.059 0.073 0.000 0.896 132 L HN 0.408 nan 8.230 nan 0.000 0.432 133 R N 0.203 120.605 120.500 -0.164 0.000 2.096 133 R HA -0.249 4.088 4.340 -0.005 0.000 0.235 133 R C 2.040 178.204 176.300 -0.226 0.000 1.127 133 R CA 1.866 57.824 56.100 -0.236 0.000 0.968 133 R CB -0.240 29.950 30.300 -0.184 0.000 0.861 133 R HN 0.445 nan 8.270 nan 0.000 0.440 134 E N -0.471 119.587 120.200 -0.236 0.000 2.106 134 E HA -0.176 4.171 4.350 -0.005 0.000 0.192 134 E C 0.361 176.677 176.600 -0.473 0.000 0.984 134 E CA 0.943 57.113 56.400 -0.382 0.000 0.806 134 E CB 0.156 29.554 29.700 -0.504 0.000 0.750 134 E HN 0.508 nan 8.360 nan 0.000 0.458 135 H N -1.358 117.657 119.070 -0.092 0.000 2.467 135 H HA 0.335 4.888 4.556 -0.005 0.000 0.275 135 H C 0.572 175.855 175.328 -0.076 0.000 1.131 135 H CA 0.457 56.459 56.048 -0.078 0.000 0.989 135 H CB 1.047 30.767 29.762 -0.070 0.000 1.696 135 H HN 0.198 nan 8.280 nan 0.000 0.574 136 A N 0.213 122.994 122.820 -0.064 0.000 2.021 136 A HA -0.067 4.249 4.320 -0.005 0.000 0.216 136 A C 1.404 178.999 177.584 0.019 0.000 1.163 136 A CA 0.059 52.037 52.037 -0.099 0.000 0.676 136 A CB -0.032 18.712 19.000 -0.425 0.000 0.818 136 A HN 0.386 nan 8.150 nan 0.000 0.453 137 Q N 0.113 119.915 119.800 0.003 0.000 2.362 137 Q HA 0.226 4.562 4.340 -0.005 0.000 0.305 137 Q C 0.849 176.883 176.000 0.057 0.000 1.120 137 Q CA 0.897 56.717 55.803 0.029 0.000 1.011 137 Q CB -0.329 28.417 28.738 0.014 0.000 1.048 137 Q HN 0.973 nan 8.270 nan 0.000 0.386 138 G N 3.634 112.482 108.800 0.080 0.000 2.130 138 G HA2 -0.201 3.756 3.960 -0.005 0.000 0.216 138 G HA3 -0.201 3.756 3.960 -0.005 0.000 0.216 138 G C -0.313 174.652 174.900 0.107 0.000 0.999 138 G CA 0.008 45.158 45.100 0.084 0.000 0.686 138 G HN 0.527 nan 8.290 nan 0.000 0.515 139 L N -0.129 121.194 121.223 0.167 0.000 2.354 139 L HA 0.754 5.091 4.340 -0.005 0.000 0.269 139 L C 0.245 177.249 176.870 0.223 0.000 1.005 139 L CA -1.300 53.663 54.840 0.205 0.000 0.819 139 L CB 2.034 44.273 42.059 0.300 0.000 1.311 139 L HN 0.024 nan 8.230 nan 0.000 0.423 140 I N 1.437 122.072 120.570 0.107 0.000 2.404 140 I HA 0.654 4.821 4.170 -0.005 0.000 0.293 140 I C 0.047 176.073 176.117 -0.153 0.000 0.992 140 I CA -0.336 60.988 61.300 0.039 0.000 1.149 140 I CB 1.998 40.046 38.000 0.080 0.000 1.315 140 I HN 0.649 nan 8.210 nan 0.000 0.446 141 A N 7.018 129.601 122.820 -0.395 0.000 2.313 141 A HA 0.965 5.281 4.320 -0.005 0.000 0.323 141 A C -0.922 176.371 177.584 -0.484 0.000 1.133 141 A CA -0.617 51.105 52.037 -0.527 0.000 0.847 141 A CB 1.271 19.702 19.000 -0.949 0.000 1.308 141 A HN 0.680 nan 8.150 nan 0.000 0.475 142 L N 1.118 122.082 121.223 -0.433 0.000 2.409 142 L HA 0.283 4.620 4.340 -0.005 0.000 0.272 142 L C 1.586 178.257 176.870 -0.332 0.000 0.980 142 L CA -0.235 54.360 54.840 -0.409 0.000 0.826 142 L CB 2.052 44.000 42.059 -0.184 0.000 1.268 142 L HN 1.054 nan 8.230 nan 0.000 0.407 143 S N 2.281 117.742 115.700 -0.398 0.000 2.414 143 S HA -0.118 4.349 4.470 -0.005 0.000 0.241 143 S C 0.858 175.553 174.600 0.159 0.000 1.079 143 S CA 1.221 59.444 58.200 0.039 0.000 1.087 143 S CB -0.435 62.870 63.200 0.174 0.000 0.927 143 S HN 1.466 nan 8.310 nan 0.000 0.456 144 G N -0.602 108.268 108.800 0.117 0.000 2.459 144 G HA2 0.113 4.070 3.960 -0.005 0.000 0.685 144 G HA3 0.113 4.070 3.960 -0.005 0.000 0.685 144 G C -0.083 174.933 174.900 0.195 0.000 1.303 144 G CA -0.452 44.760 45.100 0.187 0.000 0.907 144 G HN 1.656 nan 8.290 nan 0.000 0.632 145 C N 0.855 120.296 119.300 0.236 0.000 2.745 145 C HA 0.484 4.941 4.460 -0.005 0.000 0.387 145 C C 2.381 177.433 174.990 0.104 0.000 1.312 145 C CA 0.045 59.163 59.018 0.166 0.000 2.204 145 C CB -0.529 27.325 27.740 0.190 0.000 2.686 145 C HN 1.092 nan 8.230 nan 0.000 0.705 146 L N 2.046 123.312 121.223 0.072 0.000 2.230 146 L HA -0.139 4.198 4.340 -0.005 0.000 0.217 146 L C 2.450 179.313 176.870 -0.011 0.000 1.090 146 L CA 1.964 56.830 54.840 0.043 0.000 0.771 146 L CB -0.566 41.516 42.059 0.038 0.000 0.892 146 L HN 1.096 nan 8.230 nan 0.000 0.438 147 G N -1.867 106.873 108.800 -0.101 0.000 3.088 147 G HA2 0.363 4.320 3.960 -0.005 0.000 0.217 147 G HA3 0.363 4.320 3.960 -0.005 0.000 0.217 147 G C 0.630 175.498 174.900 -0.054 0.000 1.159 147 G CA 0.383 45.365 45.100 -0.196 0.000 0.760 147 G HN 0.405 nan 8.290 nan 0.000 0.550 148 A N 0.539 123.439 122.820 0.133 0.000 2.251 148 A HA 0.499 4.815 4.320 -0.005 0.000 0.278 148 A C 1.349 179.230 177.584 0.495 0.000 1.206 148 A CA 0.150 52.397 52.037 0.350 0.000 0.822 148 A CB 0.479 19.673 19.000 0.323 0.000 1.187 148 A HN 0.306 nan 8.150 nan 0.000 0.504 149 E N -0.663 119.904 120.200 0.612 0.000 2.014 149 E HA -0.097 4.250 4.350 -0.005 0.000 0.190 149 E C 1.783 178.809 176.600 0.710 0.000 0.980 149 E CA 1.181 58.041 56.400 0.767 0.000 0.807 149 E CB -0.344 29.607 29.700 0.418 0.000 0.770 149 E HN 0.627 nan 8.360 nan 0.000 0.451 150 I N 2.190 123.050 120.570 0.483 0.000 2.163 150 I HA -0.188 3.979 4.170 -0.005 0.000 0.243 150 I C -0.532 175.844 176.117 0.433 0.000 1.085 150 I CA 1.064 62.618 61.300 0.423 0.000 1.347 150 I CB -1.330 36.878 38.000 0.348 0.000 1.044 150 I HN 0.120 nan 8.210 nan 0.000 0.408 151 P HA -0.211 nan 4.420 nan 0.000 0.214 151 P C 1.530 178.973 177.300 0.238 0.000 1.162 151 P CA 1.566 64.823 63.100 0.261 0.000 0.879 151 P CB -0.055 31.765 31.700 0.200 0.000 0.786 152 Q N -0.235 119.706 119.800 0.234 0.000 2.029 152 Q HA -0.188 4.149 4.340 -0.005 0.000 0.209 152 Q C 2.120 178.185 176.000 0.109 0.000 0.999 152 Q CA 1.989 57.855 55.803 0.105 0.000 0.857 152 Q CB -1.377 27.378 28.738 0.028 0.000 0.926 152 Q HN 0.135 nan 8.270 nan 0.000 0.415 153 F N -0.393 119.683 119.950 0.210 0.000 2.120 153 F HA -0.206 4.318 4.527 -0.005 0.000 0.300 153 F C 2.057 177.943 175.800 0.143 0.000 1.095 153 F CA 1.196 59.304 58.000 0.179 0.000 1.249 153 F CB -0.336 38.776 39.000 0.186 0.000 0.995 153 F HN 0.115 nan 8.300 nan 0.000 0.480 154 I N -0.443 120.326 120.570 0.332 0.000 2.208 154 I HA -0.320 3.847 4.170 -0.005 0.000 0.245 154 I C 2.385 178.583 176.117 0.134 0.000 1.097 154 I CA 1.194 62.620 61.300 0.210 0.000 1.363 154 I CB -0.548 37.555 38.000 0.172 0.000 1.051 154 I HN 0.108 nan 8.210 nan 0.000 0.413 155 L N 0.072 121.362 121.223 0.111 0.000 2.187 155 L HA -0.257 4.080 4.340 -0.005 0.000 0.213 155 L C 2.144 179.043 176.870 0.048 0.000 1.100 155 L CA 1.466 56.343 54.840 0.061 0.000 0.765 155 L CB -0.241 41.838 42.059 0.033 0.000 0.904 155 L HN 0.383 nan 8.230 nan 0.000 0.437 156 Q N -1.258 118.581 119.800 0.064 0.000 2.360 156 Q HA -0.041 4.295 4.340 -0.005 0.000 0.202 156 Q C -0.195 175.850 176.000 0.074 0.000 0.915 156 Q CA 0.064 55.895 55.803 0.047 0.000 0.943 156 Q CB 0.544 29.293 28.738 0.018 0.000 1.064 156 Q HN 0.323 nan 8.270 nan 0.000 0.511 157 D N 0.286 120.740 120.400 0.090 0.000 3.079 157 D HA -0.144 4.493 4.640 -0.005 0.000 0.214 157 D C -0.414 175.954 176.300 0.114 0.000 1.145 157 D CA 0.766 54.818 54.000 0.087 0.000 0.958 157 D CB -0.509 40.327 40.800 0.059 0.000 1.117 157 D HN 0.185 nan 8.370 nan 0.000 0.416 158 R N 0.885 121.484 120.500 0.165 0.000 3.570 158 R HA 0.295 4.632 4.340 -0.005 0.000 0.233 158 R C 1.711 178.155 176.300 0.240 0.000 1.492 158 R CA -0.220 56.005 56.100 0.210 0.000 1.504 158 R CB -0.519 29.961 30.300 0.300 0.000 1.314 158 R HN 0.313 nan 8.270 nan 0.000 0.687 159 L N 0.480 121.813 121.223 0.183 0.000 2.017 159 L HA -0.238 4.099 4.340 -0.005 0.000 0.208 159 L C 1.986 178.975 176.870 0.198 0.000 1.073 159 L CA 1.627 56.591 54.840 0.207 0.000 0.745 159 L CB -0.457 41.694 42.059 0.153 0.000 0.894 159 L HN 0.332 nan 8.230 nan 0.000 0.432 160 D N 0.753 121.236 120.400 0.138 0.000 2.228 160 D HA -0.220 4.416 4.640 -0.005 0.000 0.203 160 D C 1.973 178.289 176.300 0.026 0.000 0.988 160 D CA 1.515 55.568 54.000 0.088 0.000 0.864 160 D CB -0.380 40.462 40.800 0.070 0.000 0.928 160 D HN 0.403 nan 8.370 nan 0.000 0.469 161 L N -0.173 121.058 121.223 0.014 0.000 2.202 161 L HA 0.200 4.537 4.340 -0.005 0.000 0.205 161 L C 2.802 179.426 176.870 -0.409 0.000 1.083 161 L CA 0.704 55.437 54.840 -0.178 0.000 0.790 161 L CB -0.421 41.575 42.059 -0.104 0.000 0.942 161 L HN 0.045 nan 8.230 nan 0.000 0.452 162 A N 0.185 122.893 122.820 -0.187 0.000 1.873 162 A HA -0.242 4.074 4.320 -0.005 0.000 0.215 162 A C 2.240 179.747 177.584 -0.129 0.000 1.186 162 A CA 1.782 53.756 52.037 -0.106 0.000 0.616 162 A CB -0.468 18.717 19.000 0.308 0.000 0.823 162 A HN 0.415 nan 8.150 nan 0.000 0.442 163 E N -0.262 119.910 120.200 -0.047 0.000 2.077 163 E HA -0.118 4.229 4.350 -0.005 0.000 0.193 163 E C 2.150 178.581 176.600 -0.282 0.000 0.989 163 E CA 0.917 57.158 56.400 -0.266 0.000 0.800 163 E CB -0.229 29.477 29.700 0.011 0.000 0.746 163 E HN 0.547 nan 8.360 nan 0.000 0.452 164 A N 0.974 123.672 122.820 -0.203 0.000 1.933 164 A HA -0.195 4.122 4.320 -0.005 0.000 0.218 164 A C 2.152 179.562 177.584 -0.289 0.000 1.175 164 A CA 1.713 53.619 52.037 -0.218 0.000 0.628 164 A CB -0.399 18.496 19.000 -0.174 0.000 0.814 164 A HN 0.097 nan 8.150 nan 0.000 0.444 165 R N -0.916 119.370 120.500 -0.356 0.000 2.200 165 R HA 0.081 4.417 4.340 -0.005 0.000 0.208 165 R C 1.761 177.856 176.300 -0.341 0.000 1.033 165 R CA 0.877 56.767 56.100 -0.351 0.000 1.000 165 R CB -0.538 29.490 30.300 -0.453 0.000 0.906 165 R HN 0.441 nan 8.270 nan 0.000 0.462 166 L N 0.372 121.354 121.223 -0.401 0.000 2.044 166 L HA 0.014 4.351 4.340 -0.005 0.000 0.205 166 L C 1.191 177.693 176.870 -0.614 0.000 1.075 166 L CA 1.940 56.464 54.840 -0.528 0.000 0.747 166 L CB -0.866 40.813 42.059 -0.634 0.000 0.903 166 L HN 0.217 nan 8.230 nan 0.000 0.435 167 N N -0.541 117.810 118.700 -0.581 0.000 2.061 167 N HA -0.258 4.479 4.740 -0.005 0.000 0.193 167 N C 1.824 177.115 175.510 -0.366 0.000 1.030 167 N CA 1.727 54.473 53.050 -0.506 0.000 0.856 167 N CB -0.169 38.093 38.487 -0.375 0.000 1.023 167 N HN 0.487 nan 8.380 nan 0.000 0.424 168 E N 0.682 120.699 120.200 -0.306 0.000 2.021 168 E HA -0.251 4.096 4.350 -0.005 0.000 0.200 168 E C 1.154 177.610 176.600 -0.241 0.000 1.015 168 E CA 1.344 57.604 56.400 -0.234 0.000 0.824 168 E CB -0.024 29.556 29.700 -0.200 0.000 0.762 168 E HN 0.309 nan 8.360 nan 0.000 0.454 169 D N 0.326 120.553 120.400 -0.289 0.000 2.190 169 D HA -0.168 4.469 4.640 -0.005 0.000 0.200 169 D C 2.134 178.274 176.300 -0.267 0.000 0.992 169 D CA 0.719 54.567 54.000 -0.254 0.000 0.854 169 D CB -0.134 40.414 40.800 -0.420 0.000 0.936 169 D HN 0.226 nan 8.370 nan 0.000 0.462 170 L N 0.309 121.278 121.223 -0.424 0.000 2.141 170 L HA -0.132 4.205 4.340 -0.005 0.000 0.209 170 L C 2.381 179.147 176.870 -0.174 0.000 1.094 170 L CA 0.761 55.415 54.840 -0.311 0.000 0.763 170 L CB -0.238 41.587 42.059 -0.390 0.000 0.908 170 L HN -0.044 nan 8.230 nan 0.000 0.437 171 S N -0.606 114.982 115.700 -0.187 0.000 2.555 171 S HA -0.005 4.462 4.470 -0.005 0.000 0.230 171 S C 1.635 176.145 174.600 -0.151 0.000 0.978 171 S CA 0.675 58.786 58.200 -0.149 0.000 0.934 171 S CB -0.104 63.006 63.200 -0.150 0.000 0.766 171 S HN 0.357 nan 8.310 nan 0.000 0.533 172 I N -1.121 119.345 120.570 -0.173 0.000 2.947 172 I HA 0.223 4.390 4.170 -0.005 0.000 0.263 172 I C 1.176 177.049 176.117 -0.405 0.000 1.130 172 I CA 0.548 61.647 61.300 -0.334 0.000 1.448 172 I CB 0.026 37.731 38.000 -0.492 0.000 1.222 172 I HN 0.236 nan 8.210 nan 0.000 0.453 173 F N 0.499 120.432 119.950 -0.029 0.000 2.653 173 F HA 0.440 4.963 4.527 -0.005 0.000 0.288 173 F C 1.695 177.494 175.800 -0.001 0.000 1.121 173 F CA 0.425 58.438 58.000 0.021 0.000 1.384 173 F CB -0.412 38.653 39.000 0.108 0.000 1.115 173 F HN 0.111 nan 8.300 nan 0.000 0.599 174 G N 1.561 110.441 108.800 0.134 0.000 2.552 174 G HA2 -0.344 3.613 3.960 -0.005 0.000 0.265 174 G HA3 -0.344 3.613 3.960 -0.005 0.000 0.265 174 G C 0.313 175.238 174.900 0.042 0.000 1.234 174 G CA 0.168 45.296 45.100 0.047 0.000 0.944 174 G HN 0.395 nan 8.290 nan 0.000 0.568 175 D N 0.849 121.247 120.400 -0.004 0.000 2.423 175 D HA -0.047 4.590 4.640 -0.005 0.000 0.263 175 D C 1.377 177.608 176.300 -0.115 0.000 1.255 175 D CA 0.779 54.736 54.000 -0.072 0.000 0.965 175 D CB -0.251 40.532 40.800 -0.029 0.000 0.933 175 D HN 0.611 nan 8.370 nan 0.000 0.507 176 R N -0.591 119.893 120.500 -0.026 0.000 2.596 176 R HA 0.180 4.517 4.340 -0.005 0.000 0.369 176 R C -0.576 175.731 176.300 0.011 0.000 1.042 176 R CA -0.476 55.652 56.100 0.048 0.000 1.120 176 R CB 0.499 30.912 30.300 0.189 0.000 1.353 176 R HN 0.109 nan 8.270 nan 0.000 0.564 177 F N 0.729 120.497 119.950 -0.303 0.000 2.482 177 F HA 0.514 5.038 4.527 -0.006 0.000 0.331 177 F C -0.983 174.561 175.800 -0.427 0.000 1.115 177 F CA -0.913 56.917 58.000 -0.283 0.000 0.955 177 F CB 0.871 39.761 39.000 -0.182 0.000 1.136 177 F HN -0.251 nan 8.300 nan 0.000 0.452 178 F N 5.240 124.811 119.950 -0.631 0.000 2.598 178 F HA 0.527 5.051 4.527 -0.005 0.000 0.327 178 F C -0.387 175.136 175.800 -0.461 0.000 1.057 178 F CA -1.132 56.665 58.000 -0.337 0.000 0.957 178 F CB 1.379 40.251 39.000 -0.212 0.000 1.278 178 F HN 0.105 nan 8.300 nan 0.000 0.484 179 I N 1.514 122.140 120.570 0.094 0.000 2.352 179 I HA 0.134 4.301 4.170 -0.005 0.000 0.290 179 I C 0.054 176.201 176.117 0.051 0.000 1.036 179 I CA -0.173 61.190 61.300 0.106 0.000 1.336 179 I CB 0.785 38.924 38.000 0.232 0.000 1.407 179 I HN 0.646 nan 8.210 nan 0.000 0.497 180 E N 6.896 127.104 120.200 0.013 0.000 2.167 180 E HA 0.442 4.789 4.350 -0.005 0.000 0.284 180 E C -0.979 175.620 176.600 -0.002 0.000 1.016 180 E CA -0.407 55.991 56.400 -0.002 0.000 0.817 180 E CB 0.943 30.650 29.700 0.012 0.000 1.080 180 E HN 0.451 nan 8.360 nan 0.000 0.397 181 I N 5.508 126.031 120.570 -0.079 0.000 2.410 181 I HA 0.172 4.339 4.170 -0.005 0.000 0.286 181 I C -0.374 175.611 176.117 -0.220 0.000 1.009 181 I CA -0.542 60.651 61.300 -0.178 0.000 1.111 181 I CB 1.373 39.141 38.000 -0.387 0.000 1.262 181 I HN 0.505 nan 8.210 nan 0.000 0.443 182 Q N 4.940 124.623 119.800 -0.195 0.000 2.413 182 Q HA 0.625 4.961 4.340 -0.005 0.000 0.276 182 Q C -1.360 174.418 176.000 -0.370 0.000 1.099 182 Q CA -1.121 54.515 55.803 -0.278 0.000 0.814 182 Q CB 2.897 31.512 28.738 -0.204 0.000 1.379 182 Q HN 0.511 nan 8.270 nan 0.000 0.436 183 N N 0.202 118.568 118.700 -0.557 0.000 2.397 183 N HA 0.383 5.119 4.740 -0.005 0.000 0.291 183 N C -2.011 173.070 175.510 -0.715 0.000 1.065 183 N CA -0.135 52.618 53.050 -0.494 0.000 0.884 183 N CB 1.549 39.899 38.487 -0.228 0.000 1.551 183 N HN 0.705 nan 8.380 nan 0.000 0.487 184 H N 0.239 119.213 119.070 -0.161 0.000 2.864 184 H HA 0.430 4.983 4.556 -0.005 0.000 0.354 184 H C 0.759 176.040 175.328 -0.078 0.000 1.208 184 H CA -1.088 54.846 56.048 -0.189 0.000 1.191 184 H CB 1.479 31.041 29.762 -0.334 0.000 1.889 184 H HN 0.575 nan 8.280 nan 0.000 0.574 185 G N 0.794 109.640 108.800 0.077 0.000 3.337 185 G HA2 0.105 4.062 3.960 -0.005 0.000 0.226 185 G HA3 0.105 4.062 3.960 -0.005 0.000 0.226 185 G C -0.323 174.616 174.900 0.064 0.000 1.295 185 G CA 0.110 45.244 45.100 0.057 0.000 1.427 185 G HN 0.258 nan 8.290 nan 0.000 0.535 186 L N 0.884 122.150 121.223 0.073 0.000 2.282 186 L HA 0.291 4.628 4.340 -0.005 0.000 0.288 186 L C -1.020 175.883 176.870 0.056 0.000 1.033 186 L CA -2.174 52.710 54.840 0.073 0.000 0.807 186 L CB 2.632 44.751 42.059 0.101 0.000 1.209 186 L HN -0.009 nan 8.230 nan 0.000 0.423 187 P HA -0.113 nan 4.420 nan 0.000 0.223 187 P C 0.717 178.042 177.300 0.040 0.000 1.151 187 P CA 0.983 64.106 63.100 0.039 0.000 0.787 187 P CB 0.468 32.187 31.700 0.032 0.000 0.788 188 E N 0.254 120.480 120.200 0.044 0.000 2.106 188 E HA -0.163 4.184 4.350 -0.005 0.000 0.192 188 E C 2.310 178.942 176.600 0.053 0.000 0.984 188 E CA 1.058 57.484 56.400 0.044 0.000 0.806 188 E CB -0.606 29.118 29.700 0.040 0.000 0.750 188 E HN 0.331 nan 8.360 nan 0.000 0.458 189 Q N 0.271 120.105 119.800 0.058 0.000 2.224 189 Q HA -0.120 4.217 4.340 -0.005 0.000 0.203 189 Q C 1.986 178.029 176.000 0.072 0.000 0.970 189 Q CA 0.863 56.701 55.803 0.058 0.000 0.865 189 Q CB 0.103 28.863 28.738 0.036 0.000 0.922 189 Q HN -0.001 nan 8.270 nan 0.000 0.445 190 K N 1.125 121.563 120.400 0.065 0.000 2.002 190 K HA -0.169 4.148 4.320 -0.005 0.000 0.209 190 K C 1.880 178.516 176.600 0.060 0.000 1.048 190 K CA 1.309 57.637 56.287 0.068 0.000 0.930 190 K CB -0.054 32.473 32.500 0.044 0.000 0.714 190 K HN 0.026 nan 8.250 nan 0.000 0.438 191 K N 0.614 121.042 120.400 0.046 0.000 2.097 191 K HA -0.063 4.254 4.320 -0.005 0.000 0.205 191 K C 2.064 178.691 176.600 0.044 0.000 1.050 191 K CA 0.766 57.074 56.287 0.035 0.000 0.938 191 K CB 0.128 32.646 32.500 0.030 0.000 0.718 191 K HN -0.050 nan 8.250 nan 0.000 0.442 192 V N 2.094 122.046 119.914 0.065 0.000 2.270 192 V HA -0.246 3.871 4.120 -0.005 0.000 0.245 192 V C 1.967 178.117 176.094 0.092 0.000 1.043 192 V CA 1.779 64.128 62.300 0.081 0.000 1.014 192 V CB -0.512 31.367 31.823 0.095 0.000 0.645 192 V HN 0.377 nan 8.190 nan 0.000 0.447 193 N N 0.023 118.797 118.700 0.123 0.000 2.106 193 N HA -0.192 4.545 4.740 -0.005 0.000 0.188 193 N C 1.904 177.520 175.510 0.177 0.000 1.029 193 N CA 1.431 54.599 53.050 0.196 0.000 0.848 193 N CB -0.555 38.112 38.487 0.300 0.000 1.007 193 N HN 0.585 nan 8.380 nan 0.000 0.423 194 Q N 0.869 120.732 119.800 0.105 0.000 2.268 194 Q HA -0.144 4.193 4.340 -0.005 0.000 0.210 194 Q C 1.332 177.314 176.000 -0.029 0.000 0.988 194 Q CA 1.302 57.115 55.803 0.017 0.000 0.883 194 Q CB 0.193 28.924 28.738 -0.012 0.000 0.911 194 Q HN 0.169 nan 8.270 nan 0.000 0.430 195 V N 0.179 120.060 119.914 -0.054 0.000 2.581 195 V HA -0.126 3.991 4.120 -0.005 0.000 0.240 195 V C 2.283 178.214 176.094 -0.273 0.000 1.054 195 V CA 0.547 62.721 62.300 -0.211 0.000 1.076 195 V CB -0.257 31.420 31.823 -0.243 0.000 0.748 195 V HN 0.321 nan 8.190 nan 0.000 0.474 196 L N 0.380 121.572 121.223 -0.053 0.000 2.089 196 L HA -0.298 4.039 4.340 -0.005 0.000 0.213 196 L C 2.563 179.543 176.870 0.183 0.000 1.079 196 L CA 2.055 56.976 54.840 0.135 0.000 0.758 196 L CB -0.500 41.679 42.059 0.201 0.000 0.891 196 L HN 0.359 nan 8.230 nan 0.000 0.433 197 K N 0.295 120.791 120.400 0.159 0.000 2.026 197 K HA -0.215 4.101 4.320 -0.005 0.000 0.208 197 K C 1.895 178.567 176.600 0.121 0.000 1.048 197 K CA 1.614 58.019 56.287 0.196 0.000 0.929 197 K CB 0.028 32.626 32.500 0.164 0.000 0.713 197 K HN 0.341 nan 8.250 nan 0.000 0.439 198 E N -0.310 119.899 120.200 0.015 0.000 2.110 198 E HA -0.169 4.178 4.350 -0.005 0.000 0.193 198 E C 1.873 178.560 176.600 0.145 0.000 0.988 198 E CA 1.335 57.736 56.400 0.002 0.000 0.804 198 E CB -0.141 29.490 29.700 -0.115 0.000 0.745 198 E HN 0.338 nan 8.360 nan 0.000 0.458 199 F N 0.819 120.847 119.950 0.132 0.000 2.075 199 F HA -0.218 4.306 4.527 -0.005 0.000 0.297 199 F C 2.584 178.499 175.800 0.191 0.000 1.113 199 F CA 0.392 58.503 58.000 0.185 0.000 1.218 199 F CB -0.185 38.958 39.000 0.239 0.000 0.984 199 F HN 0.079 nan 8.300 nan 0.000 0.472 200 A N 0.266 123.321 122.820 0.392 0.000 2.076 200 A HA -0.196 4.121 4.320 -0.005 0.000 0.220 200 A C 2.067 179.779 177.584 0.213 0.000 1.160 200 A CA 1.488 53.700 52.037 0.291 0.000 0.653 200 A CB -0.590 18.568 19.000 0.262 0.000 0.801 200 A HN 0.375 nan 8.150 nan 0.000 0.455 201 R N -0.926 119.681 120.500 0.178 0.000 2.112 201 R HA 0.042 4.378 4.340 -0.005 0.000 0.216 201 R C 2.273 178.617 176.300 0.074 0.000 1.080 201 R CA 1.054 57.220 56.100 0.111 0.000 0.996 201 R CB -0.206 30.141 30.300 0.078 0.000 0.902 201 R HN 0.513 nan 8.270 nan 0.000 0.449 202 K N 0.520 120.960 120.400 0.067 0.000 1.973 202 K HA -0.134 4.182 4.320 -0.005 0.000 0.210 202 K C 1.724 178.231 176.600 -0.155 0.000 1.045 202 K CA 1.559 57.796 56.287 -0.083 0.000 0.937 202 K CB -0.096 32.307 32.500 -0.162 0.000 0.721 202 K HN 0.125 nan 8.250 nan 0.000 0.438 203 Y N -0.400 119.947 120.300 0.078 0.000 2.373 203 Y HA 0.054 4.601 4.550 -0.005 0.000 0.293 203 Y C 1.069 176.987 175.900 0.031 0.000 1.129 203 Y CA 0.741 58.857 58.100 0.026 0.000 1.226 203 Y CB 0.450 38.897 38.460 -0.021 0.000 1.000 203 Y HN 0.450 nan 8.280 nan 0.000 0.549 204 G N 0.126 109.026 108.800 0.166 0.000 2.742 204 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.257 204 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.257 204 G C -0.108 174.860 174.900 0.113 0.000 1.143 204 G CA -0.139 45.031 45.100 0.117 0.000 1.064 204 G HN 0.204 nan 8.290 nan 0.000 0.529 205 L N 0.428 121.736 121.223 0.141 0.000 2.467 205 L HA 0.624 4.961 4.340 -0.005 0.000 0.213 205 L C 1.793 178.735 176.870 0.120 0.000 1.053 205 L CA 1.718 56.623 54.840 0.107 0.000 0.847 205 L CB -0.453 41.715 42.059 0.181 0.000 1.075 205 L HN 1.972 nan 8.230 nan 0.000 0.479 206 G N 0.629 109.552 108.800 0.205 0.000 2.981 206 G HA2 -0.208 3.748 3.960 -0.005 0.000 0.686 206 G HA3 -0.208 3.748 3.960 -0.005 0.000 0.686 206 G C -0.547 174.568 174.900 0.358 0.000 1.068 206 G CA -0.372 44.904 45.100 0.294 0.000 0.806 206 G HN 0.023 nan 8.290 nan 0.000 0.568 207 M N 1.039 120.783 119.600 0.240 0.000 2.436 207 M HA 0.634 5.110 4.480 -0.005 0.000 0.331 207 M C 0.196 176.530 176.300 0.057 0.000 1.135 207 M CA -0.908 54.484 55.300 0.154 0.000 0.987 207 M CB 2.386 35.056 32.600 0.117 0.000 1.687 207 M HN 0.421 nan 8.290 nan 0.000 0.445 208 V N 2.230 122.135 119.914 -0.015 0.000 2.448 208 V HA 0.726 4.843 4.120 -0.005 0.000 0.295 208 V C -0.254 175.801 176.094 -0.065 0.000 1.025 208 V CA -1.001 61.245 62.300 -0.090 0.000 0.859 208 V CB 1.595 33.291 31.823 -0.211 0.000 0.988 208 V HN 0.933 nan 8.190 nan 0.000 0.431 209 A N 3.968 126.781 122.820 -0.011 0.000 2.328 209 A HA 0.832 5.148 4.320 -0.005 0.000 0.284 209 A C 0.389 178.001 177.584 0.047 0.000 1.160 209 A CA 0.083 52.111 52.037 -0.014 0.000 0.818 209 A CB 0.577 19.612 19.000 0.058 0.000 1.087 209 A HN 1.032 nan 8.150 nan 0.000 0.504 210 T N -0.871 113.675 114.554 -0.013 0.000 2.716 210 T HA 0.680 5.027 4.350 -0.005 0.000 0.286 210 T C -0.670 174.016 174.700 -0.024 0.000 1.052 210 T CA -0.370 61.757 62.100 0.045 0.000 1.024 210 T CB 1.615 70.531 68.868 0.081 0.000 1.349 210 T HN 1.051 nan 8.240 nan 0.000 0.525 211 N N -0.125 118.620 118.700 0.074 0.000 2.728 211 N HA 0.093 4.830 4.740 -0.005 0.000 0.221 211 N C -0.751 174.866 175.510 0.179 0.000 1.412 211 N CA -0.163 52.914 53.050 0.045 0.000 1.003 211 N CB -0.203 38.214 38.487 -0.117 0.000 1.525 211 N HN 0.751 nan 8.380 nan 0.000 0.552 212 D N 0.533 120.985 120.400 0.086 0.000 2.692 212 D HA -0.134 4.503 4.640 -0.005 0.000 0.233 212 D C 0.491 176.986 176.300 0.325 0.000 1.172 212 D CA 1.562 55.593 54.000 0.052 0.000 0.636 212 D CB -1.102 39.758 40.800 0.100 0.000 1.028 212 D HN 0.719 nan 8.370 nan 0.000 0.419 213 G N -0.263 108.668 108.800 0.218 0.000 2.254 213 G HA2 0.100 4.056 3.960 -0.005 0.000 0.253 213 G HA3 0.100 4.056 3.960 -0.005 0.000 0.253 213 G C 0.674 175.654 174.900 0.134 0.000 1.246 213 G CA -0.153 45.027 45.100 0.133 0.000 0.946 213 G HN 0.472 nan 8.290 nan 0.000 0.474 214 H N 1.021 120.155 119.070 0.107 0.000 2.885 214 H HA 0.209 4.762 4.556 -0.005 0.000 0.260 214 H C 0.004 175.486 175.328 0.257 0.000 0.985 214 H CA 0.428 56.584 56.048 0.180 0.000 1.210 214 H CB 0.499 30.369 29.762 0.180 0.000 1.466 214 H HN 0.698 nan 8.280 nan 0.000 0.493 215 Y N -3.084 117.264 120.300 0.079 0.000 2.693 215 Y HA 0.525 5.072 4.550 -0.005 0.000 0.331 215 Y C 0.803 176.736 175.900 0.054 0.000 1.092 215 Y CA -1.544 56.577 58.100 0.035 0.000 1.131 215 Y CB 0.094 38.534 38.460 -0.034 0.000 1.318 215 Y HN -0.283 nan 8.280 nan 0.000 0.510 216 V N 0.212 120.204 119.914 0.129 0.000 2.391 216 V HA 0.214 4.331 4.120 -0.005 0.000 0.237 216 V C 0.626 176.629 176.094 -0.152 0.000 1.046 216 V CA 0.639 62.928 62.300 -0.018 0.000 1.053 216 V CB -0.339 31.454 31.823 -0.050 0.000 0.704 216 V HN 0.705 nan 8.190 nan 0.000 0.475 217 R N -0.224 120.128 120.500 -0.247 0.000 2.832 217 R HA 0.393 4.730 4.340 -0.005 0.000 0.271 217 R C 0.865 176.953 176.300 -0.353 0.000 0.996 217 R CA -0.748 55.105 56.100 -0.412 0.000 0.977 217 R CB 1.546 31.405 30.300 -0.734 0.000 1.168 217 R HN -0.001 nan 8.270 nan 0.000 0.482 218 K N 1.271 121.206 120.400 -0.775 0.000 2.173 218 K HA -0.235 4.082 4.320 -0.005 0.000 0.207 218 K C 0.683 177.086 176.600 -0.328 0.000 1.046 218 K CA 1.944 57.635 56.287 -0.992 0.000 0.929 218 K CB 0.179 31.978 32.500 -1.169 0.000 0.720 218 K HN 0.466 nan 8.250 nan 0.000 0.453 219 E N 0.607 120.664 120.200 -0.239 0.000 2.472 219 E HA -0.115 4.232 4.350 -0.005 0.000 0.200 219 E C 0.629 177.182 176.600 -0.077 0.000 1.046 219 E CA 0.860 57.181 56.400 -0.132 0.000 0.871 219 E CB 0.081 29.706 29.700 -0.125 0.000 0.806 219 E HN 0.324 nan 8.360 nan 0.000 0.533 220 D N 0.366 120.752 120.400 -0.023 0.000 2.352 220 D HA 0.049 4.686 4.640 -0.005 0.000 0.232 220 D C 1.411 177.596 176.300 -0.192 0.000 1.055 220 D CA 0.570 54.560 54.000 -0.016 0.000 0.891 220 D CB -0.157 40.715 40.800 0.121 0.000 0.897 220 D HN 0.187 nan 8.370 nan 0.000 0.529 221 A N 1.644 124.386 122.820 -0.131 0.000 1.885 221 A HA -0.293 4.023 4.320 -0.005 0.000 0.215 221 A C 2.166 179.596 177.584 -0.257 0.000 1.255 221 A CA 1.487 53.392 52.037 -0.219 0.000 0.692 221 A CB -0.551 18.431 19.000 -0.030 0.000 0.842 221 A HN 0.143 nan 8.150 nan 0.000 0.465 222 R N -1.005 119.416 120.500 -0.131 0.000 2.091 222 R HA -0.143 4.194 4.340 -0.005 0.000 0.238 222 R C 2.530 178.754 176.300 -0.126 0.000 1.136 222 R CA 1.307 57.342 56.100 -0.108 0.000 0.959 222 R CB -0.669 29.616 30.300 -0.025 0.000 0.856 222 R HN 0.607 nan 8.270 nan 0.000 0.437 223 A N 0.989 123.748 122.820 -0.101 0.000 1.940 223 A HA -0.287 4.030 4.320 -0.005 0.000 0.221 223 A C 2.093 179.583 177.584 -0.157 0.000 1.190 223 A CA 2.064 54.046 52.037 -0.092 0.000 0.647 223 A CB -0.964 17.992 19.000 -0.074 0.000 0.821 223 A HN 0.516 nan 8.150 nan 0.000 0.457 224 H N -0.813 118.033 119.070 -0.373 0.000 2.317 224 H HA 0.011 4.565 4.556 -0.005 0.000 0.304 224 H C 1.874 176.904 175.328 -0.497 0.000 1.067 224 H CA 1.513 57.268 56.048 -0.488 0.000 1.352 224 H CB -0.283 28.975 29.762 -0.840 0.000 1.398 224 H HN 0.623 nan 8.280 nan 0.000 0.510 225 E N 0.965 120.896 120.200 -0.447 0.000 2.510 225 E HA -0.087 4.260 4.350 -0.005 0.000 0.202 225 E C 2.021 178.393 176.600 -0.380 0.000 1.072 225 E CA 0.775 56.908 56.400 -0.445 0.000 0.883 225 E CB 0.167 29.714 29.700 -0.254 0.000 0.818 225 E HN 0.481 nan 8.360 nan 0.000 0.548 226 V N -2.218 117.499 119.914 -0.329 0.000 3.085 226 V HA -0.022 4.095 4.120 -0.005 0.000 0.245 226 V C 2.072 178.010 176.094 -0.260 0.000 1.114 226 V CA 0.398 62.544 62.300 -0.256 0.000 1.108 226 V CB -0.237 31.488 31.823 -0.163 0.000 0.798 226 V HN 0.173 nan 8.190 nan 0.000 0.471 227 L N 0.645 121.670 121.223 -0.331 0.000 2.081 227 L HA -0.116 4.221 4.340 -0.005 0.000 0.212 227 L C 2.259 178.929 176.870 -0.334 0.000 1.080 227 L CA 2.200 56.857 54.840 -0.305 0.000 0.754 227 L CB -0.614 41.232 42.059 -0.356 0.000 0.893 227 L HN 0.352 nan 8.230 nan 0.000 0.433 228 L N -0.520 120.386 121.223 -0.528 0.000 1.994 228 L HA -0.194 4.143 4.340 -0.005 0.000 0.208 228 L C 2.690 179.478 176.870 -0.136 0.000 1.071 228 L CA 1.335 55.909 54.840 -0.444 0.000 0.745 228 L CB -1.130 40.489 42.059 -0.734 0.000 0.892 228 L HN 0.365 nan 8.230 nan 0.000 0.431 229 A N -0.319 122.404 122.820 -0.162 0.000 2.131 229 A HA -0.158 4.159 4.320 -0.005 0.000 0.220 229 A C 2.174 179.732 177.584 -0.042 0.000 1.158 229 A CA 1.565 53.553 52.037 -0.081 0.000 0.665 229 A CB -0.658 18.262 19.000 -0.134 0.000 0.795 229 A HN 0.427 nan 8.150 nan 0.000 0.460 230 I N -1.924 118.615 120.570 -0.053 0.000 2.703 230 I HA -0.099 4.068 4.170 -0.005 0.000 0.259 230 I C 2.373 178.508 176.117 0.030 0.000 1.151 230 I CA 0.723 62.015 61.300 -0.014 0.000 1.470 230 I CB 0.031 38.015 38.000 -0.027 0.000 1.112 230 I HN 0.171 nan 8.210 nan 0.000 0.437 231 Q N -0.380 119.450 119.800 0.049 0.000 2.311 231 Q HA -0.046 4.290 4.340 -0.005 0.000 0.203 231 Q C 2.234 178.333 176.000 0.166 0.000 0.954 231 Q CA 1.005 56.889 55.803 0.134 0.000 0.885 231 Q CB 0.009 28.861 28.738 0.191 0.000 0.963 231 Q HN 0.272 nan 8.270 nan 0.000 0.471 232 S N -0.459 115.333 115.700 0.153 0.000 2.517 232 S HA 0.085 4.552 4.470 -0.005 0.000 0.214 232 S C -0.203 174.429 174.600 0.054 0.000 0.991 232 S CA -0.131 58.141 58.200 0.119 0.000 0.906 232 S CB 0.019 63.322 63.200 0.171 0.000 0.789 232 S HN 0.302 nan 8.310 nan 0.000 0.513 233 K N 1.906 122.331 120.400 0.042 0.000 3.393 233 K HA -0.116 4.201 4.320 -0.005 0.000 0.272 233 K C -0.567 176.038 176.600 0.009 0.000 1.004 233 K CA 0.899 57.199 56.287 0.022 0.000 0.764 233 K CB -2.564 29.949 32.500 0.023 0.000 1.373 233 K HN 0.620 nan 8.250 nan 0.000 0.458 234 T N -3.162 111.391 114.554 -0.001 0.000 2.812 234 T HA 0.430 4.777 4.350 -0.005 0.000 0.294 234 T C 0.207 174.884 174.700 -0.037 0.000 1.159 234 T CA -0.993 61.100 62.100 -0.013 0.000 1.008 234 T CB 1.644 70.508 68.868 -0.006 0.000 1.289 234 T HN 0.044 nan 8.240 nan 0.000 0.514 235 T N 1.519 116.048 114.554 -0.041 0.000 2.813 235 T HA 0.240 4.587 4.350 -0.005 0.000 0.297 235 T C 1.500 176.136 174.700 -0.106 0.000 1.036 235 T CA -0.647 61.413 62.100 -0.066 0.000 1.044 235 T CB 0.560 69.401 68.868 -0.045 0.000 0.993 235 T HN 0.597 nan 8.240 nan 0.000 0.535 236 L N 0.896 122.015 121.223 -0.174 0.000 2.079 236 L HA -0.054 4.283 4.340 -0.005 0.000 0.210 236 L C 0.858 177.654 176.870 -0.124 0.000 1.081 236 L CA 1.713 56.421 54.840 -0.219 0.000 0.752 236 L CB -0.399 41.444 42.059 -0.360 0.000 0.896 236 L HN 0.784 nan 8.230 nan 0.000 0.433 237 D N -1.764 118.585 120.400 -0.085 0.000 2.472 237 D HA 0.103 4.740 4.640 -0.005 0.000 0.234 237 D C 0.066 176.346 176.300 -0.033 0.000 1.088 237 D CA -0.326 53.645 54.000 -0.048 0.000 0.882 237 D CB 1.210 41.990 40.800 -0.034 0.000 1.037 237 D HN 0.155 nan 8.370 nan 0.000 0.520 238 D N 2.076 122.460 120.400 -0.027 0.000 2.394 238 D HA 0.103 4.740 4.640 -0.005 0.000 0.237 238 D C -0.872 175.422 176.300 -0.010 0.000 1.028 238 D CA 0.583 54.573 54.000 -0.017 0.000 0.937 238 D CB -0.219 40.574 40.800 -0.012 0.000 1.072 238 D HN 0.390 nan 8.370 nan 0.000 0.457 239 P HA 0.259 nan 4.420 nan 0.000 0.341 239 P C -0.069 177.235 177.300 0.006 0.000 1.368 239 P CA 0.016 63.115 63.100 -0.000 0.000 0.835 239 P CB 0.367 32.069 31.700 0.004 0.000 2.010 240 E N -2.112 118.097 120.200 0.015 0.000 4.067 240 E HA -0.232 4.115 4.350 -0.005 0.000 0.346 240 E C 0.286 176.906 176.600 0.033 0.000 0.613 240 E CA 0.924 57.334 56.400 0.016 0.000 1.252 240 E CB -1.137 28.563 29.700 -0.001 0.000 1.731 240 E HN 0.607 nan 8.360 nan 0.000 0.406 241 R N 0.428 120.950 120.500 0.037 0.000 2.638 241 R HA -0.031 4.305 4.340 -0.005 0.000 0.268 241 R C -0.061 176.330 176.300 0.151 0.000 1.006 241 R CA 0.278 56.417 56.100 0.064 0.000 1.088 241 R CB 0.199 30.512 30.300 0.023 0.000 0.950 241 R HN 0.147 nan 8.270 nan 0.000 0.419 242 W N 3.772 125.042 121.300 -0.049 0.000 2.295 242 W HA 0.054 4.711 4.660 -0.005 0.000 0.335 242 W C -0.378 176.112 176.519 -0.049 0.000 1.351 242 W CA -0.371 56.951 57.345 -0.037 0.000 1.273 242 W CB 0.217 29.647 29.460 -0.050 0.000 1.214 242 W HN 0.707 nan 8.180 nan 0.000 0.563 243 R N 4.566 125.234 120.500 0.279 0.000 2.774 243 R HA 0.462 4.799 4.340 -0.005 0.000 0.272 243 R C -0.897 175.539 176.300 0.227 0.000 1.000 243 R CA -1.204 54.938 56.100 0.070 0.000 0.906 243 R CB 1.468 31.819 30.300 0.085 0.000 1.227 243 R HN 0.086 nan 8.270 nan 0.000 0.468 244 F N 1.969 121.845 119.950 -0.123 0.000 2.368 244 F HA 0.313 4.836 4.527 -0.006 0.000 0.315 244 F C -0.794 175.014 175.800 0.012 0.000 1.145 244 F CA -2.262 55.674 58.000 -0.108 0.000 1.095 244 F CB 0.221 39.110 39.000 -0.185 0.000 1.286 244 F HN 0.431 nan 8.300 nan 0.000 0.530 245 P HA 0.032 nan 4.420 nan 0.000 0.225 245 P C -0.188 177.227 177.300 0.191 0.000 1.156 245 P CA 0.850 64.044 63.100 0.157 0.000 0.787 245 P CB 0.087 31.856 31.700 0.115 0.000 0.802 246 C N -3.204 116.267 119.300 0.286 0.000 3.249 246 C HA 0.411 4.868 4.460 -0.005 0.000 0.350 246 C C -0.719 174.477 174.990 0.342 0.000 1.431 246 C CA -0.844 58.320 59.018 0.243 0.000 1.209 246 C CB 0.984 28.823 27.740 0.165 0.000 1.546 246 C HN -0.096 nan 8.230 nan 0.000 0.450 247 D N 0.914 121.474 120.400 0.265 0.000 2.889 247 D HA 0.195 4.831 4.640 -0.005 0.000 0.243 247 D C 0.673 177.194 176.300 0.368 0.000 1.270 247 D CA 0.184 54.384 54.000 0.333 0.000 0.838 247 D CB 0.014 40.930 40.800 0.193 0.000 1.040 247 D HN 0.546 nan 8.370 nan 0.000 0.480 248 E N -0.273 120.091 120.200 0.273 0.000 2.538 248 E HA 0.080 4.427 4.350 -0.005 0.000 0.207 248 E C -0.058 176.393 176.600 -0.248 0.000 1.002 248 E CA -0.311 56.127 56.400 0.062 0.000 0.952 248 E CB 0.223 29.860 29.700 -0.105 0.000 1.031 248 E HN 0.238 nan 8.360 nan 0.000 0.476 249 F N 1.976 121.829 119.950 -0.161 0.000 2.560 249 F HA 0.206 4.730 4.527 -0.005 0.000 0.338 249 F C 0.060 175.361 175.800 -0.832 0.000 1.201 249 F CA -0.896 56.860 58.000 -0.405 0.000 1.291 249 F CB -0.301 38.593 39.000 -0.177 0.000 1.627 249 F HN -0.085 nan 8.300 nan 0.000 0.588 250 Y N -2.776 117.231 120.300 -0.489 0.000 2.605 250 Y HA 0.705 5.252 4.550 -0.005 0.000 0.343 250 Y C -0.700 175.117 175.900 -0.138 0.000 1.036 250 Y CA -2.136 55.716 58.100 -0.414 0.000 1.065 250 Y CB 0.640 38.877 38.460 -0.372 0.000 1.288 250 Y HN -0.174 nan 8.280 nan 0.000 0.481 251 V N 3.400 123.298 119.914 -0.026 0.000 2.382 251 V HA 0.051 4.168 4.120 -0.005 0.000 0.250 251 V C 0.207 176.420 176.094 0.199 0.000 1.069 251 V CA -0.271 61.973 62.300 -0.094 0.000 1.130 251 V CB -1.521 30.332 31.823 0.049 0.000 1.165 251 V HN 0.658 nan 8.190 nan 0.000 0.483 252 K N 2.525 122.972 120.400 0.078 0.000 2.138 252 K HA 0.346 4.663 4.320 -0.005 0.000 0.251 252 K C 0.656 177.396 176.600 0.233 0.000 1.015 252 K CA -0.432 55.891 56.287 0.059 0.000 0.917 252 K CB 0.583 32.945 32.500 -0.230 0.000 1.021 252 K HN 0.608 nan 8.250 nan 0.000 0.485 253 T N 2.175 116.822 114.554 0.155 0.000 2.898 253 T HA 0.033 4.379 4.350 -0.005 0.000 0.301 253 T C -1.665 173.020 174.700 -0.026 0.000 1.049 253 T CA -1.505 60.645 62.100 0.083 0.000 1.095 253 T CB 0.504 69.421 68.868 0.082 0.000 0.976 253 T HN 0.398 nan 8.240 nan 0.000 0.539 254 P HA -0.189 nan 4.420 nan 0.000 0.218 254 P C 1.101 178.366 177.300 -0.059 0.000 1.152 254 P CA 1.305 64.347 63.100 -0.096 0.000 0.857 254 P CB 0.242 31.961 31.700 0.033 0.000 0.787 255 E N -0.078 120.121 120.200 -0.003 0.000 2.072 255 E HA -0.126 4.221 4.350 -0.005 0.000 0.190 255 E C 2.016 178.621 176.600 0.008 0.000 0.982 255 E CA 1.022 57.437 56.400 0.025 0.000 0.803 255 E CB -0.770 28.953 29.700 0.039 0.000 0.755 255 E HN 0.423 nan 8.360 nan 0.000 0.453 256 E N -0.354 119.842 120.200 -0.007 0.000 2.338 256 E HA -0.103 4.244 4.350 -0.005 0.000 0.197 256 E C 1.709 178.248 176.600 -0.101 0.000 1.007 256 E CA 0.547 56.935 56.400 -0.019 0.000 0.849 256 E CB 0.035 29.744 29.700 0.015 0.000 0.774 256 E HN 0.209 nan 8.360 nan 0.000 0.506 257 M N -0.008 119.480 119.600 -0.185 0.000 2.081 257 M HA -0.059 4.418 4.480 -0.005 0.000 0.261 257 M C 1.936 178.219 176.300 -0.027 0.000 1.075 257 M CA 1.200 56.333 55.300 -0.279 0.000 1.133 257 M CB -0.539 31.607 32.600 -0.757 0.000 1.330 257 M HN -0.044 nan 8.290 nan 0.000 0.414 258 R N 0.374 120.940 120.500 0.110 0.000 2.377 258 R HA 0.023 4.360 4.340 -0.005 0.000 0.207 258 R C 1.643 177.960 176.300 0.028 0.000 1.075 258 R CA 0.733 56.882 56.100 0.083 0.000 1.035 258 R CB -0.383 29.953 30.300 0.061 0.000 0.857 258 R HN 0.365 nan 8.270 nan 0.000 0.475 259 A N -0.386 122.440 122.820 0.010 0.000 2.044 259 A HA 0.029 4.346 4.320 -0.005 0.000 0.213 259 A C 1.836 179.425 177.584 0.009 0.000 1.169 259 A CA 0.344 52.388 52.037 0.011 0.000 0.724 259 A CB 0.180 19.188 19.000 0.012 0.000 0.840 259 A HN 0.062 nan 8.150 nan 0.000 0.463 260 M N -0.674 118.914 119.600 -0.020 0.000 2.501 260 M HA 0.352 4.829 4.480 -0.005 0.000 0.261 260 M C -0.093 176.223 176.300 0.027 0.000 1.129 260 M CA 0.830 56.111 55.300 -0.031 0.000 1.126 260 M CB -0.548 31.977 32.600 -0.126 0.000 1.359 260 M HN 0.174 nan 8.290 nan 0.000 0.471 261 L N 1.119 122.366 121.223 0.041 0.000 2.433 261 L HA 0.368 4.705 4.340 -0.005 0.000 0.256 261 L C -2.321 174.668 176.870 0.200 0.000 1.063 261 L CA -1.681 53.261 54.840 0.169 0.000 0.922 261 L CB 0.988 42.939 42.059 -0.180 0.000 1.238 261 L HN -0.113 nan 8.230 nan 0.000 0.466 262 P HA -0.056 nan 4.420 nan 0.000 0.278 262 P C 0.558 177.871 177.300 0.023 0.000 1.268 262 P CA 0.097 63.237 63.100 0.068 0.000 0.813 262 P CB 1.078 32.794 31.700 0.027 0.000 1.180 263 E N -0.762 119.419 120.200 -0.032 0.000 2.132 263 E HA 0.057 4.404 4.350 -0.005 0.000 0.193 263 E C 1.702 178.266 176.600 -0.060 0.000 0.951 263 E CA 0.371 56.735 56.400 -0.060 0.000 0.843 263 E CB -0.431 29.230 29.700 -0.064 0.000 0.807 263 E HN 0.350 nan 8.360 nan 0.000 0.467 264 A N 0.677 123.456 122.820 -0.068 0.000 2.235 264 A HA -0.037 4.280 4.320 -0.005 0.000 0.208 264 A C 1.796 179.300 177.584 -0.134 0.000 1.172 264 A CA 0.666 52.653 52.037 -0.083 0.000 0.786 264 A CB -0.091 18.866 19.000 -0.070 0.000 0.804 264 A HN 0.237 nan 8.150 nan 0.000 0.479 265 E N -2.148 117.943 120.200 -0.181 0.000 2.399 265 E HA 0.012 4.359 4.350 -0.005 0.000 0.205 265 E C 0.925 177.209 176.600 -0.526 0.000 0.906 265 E CA 0.248 56.421 56.400 -0.379 0.000 0.998 265 E CB 0.181 29.616 29.700 -0.442 0.000 1.002 265 E HN 0.803 nan 8.360 nan 0.000 0.501 266 W N 0.367 121.610 121.300 -0.095 0.000 2.835 266 W HA 0.283 4.940 4.660 -0.005 0.000 0.278 266 W C 0.985 177.427 176.519 -0.128 0.000 1.075 266 W CA 0.352 57.634 57.345 -0.106 0.000 1.439 266 W CB 0.789 30.169 29.460 -0.133 0.000 0.927 266 W HN 0.170 nan 8.180 nan 0.000 0.604 267 G N 1.436 110.269 108.800 0.055 0.000 2.752 267 G HA2 -0.305 3.652 3.960 -0.005 0.000 0.234 267 G HA3 -0.305 3.652 3.960 -0.005 0.000 0.234 267 G C 0.127 174.970 174.900 -0.095 0.000 1.367 267 G CA 0.162 45.253 45.100 -0.015 0.000 0.879 267 G HN 0.112 nan 8.290 nan 0.000 0.563 268 D N 0.080 120.441 120.400 -0.064 0.000 2.305 268 D HA 0.034 4.671 4.640 -0.005 0.000 0.206 268 D C 2.290 178.599 176.300 0.016 0.000 0.974 268 D CA 0.941 54.901 54.000 -0.067 0.000 0.871 268 D CB 0.021 40.811 40.800 -0.016 0.000 0.947 268 D HN 0.633 nan 8.370 nan 0.000 0.516 269 E N 0.470 120.697 120.200 0.046 0.000 2.070 269 E HA -0.175 4.171 4.350 -0.005 0.000 0.197 269 E C -0.881 175.788 176.600 0.115 0.000 1.004 269 E CA 1.073 57.525 56.400 0.086 0.000 0.805 269 E CB -0.708 29.052 29.700 0.100 0.000 0.744 269 E HN 0.317 nan 8.360 nan 0.000 0.451 270 P HA -0.037 nan 4.420 nan 0.000 0.245 270 P C 0.500 178.051 177.300 0.419 0.000 1.212 270 P CA 0.786 63.992 63.100 0.176 0.000 0.774 270 P CB 0.080 31.829 31.700 0.082 0.000 0.999 271 F N 0.143 120.114 119.950 0.035 0.000 2.289 271 F HA 0.084 4.608 4.527 -0.005 0.000 0.280 271 F C 1.784 177.605 175.800 0.034 0.000 1.045 271 F CA 0.339 58.400 58.000 0.102 0.000 1.236 271 F CB -1.368 37.693 39.000 0.101 0.000 1.116 271 F HN -0.176 nan 8.300 nan 0.000 0.550 272 D N 0.253 120.796 120.400 0.239 0.000 2.417 272 D HA -0.158 4.479 4.640 -0.005 0.000 0.225 272 D C 1.227 177.547 176.300 0.034 0.000 0.983 272 D CA 0.861 54.923 54.000 0.103 0.000 0.949 272 D CB -0.550 40.301 40.800 0.085 0.000 0.879 272 D HN 0.423 nan 8.370 nan 0.000 0.520 273 N N -1.406 117.306 118.700 0.019 0.000 2.415 273 N HA -0.034 4.703 4.740 -0.005 0.000 0.174 273 N C 1.698 177.103 175.510 -0.176 0.000 1.048 273 N CA 0.273 53.274 53.050 -0.081 0.000 0.895 273 N CB 0.499 38.933 38.487 -0.089 0.000 1.036 273 N HN -0.114 nan 8.380 nan 0.000 0.449 274 T N 0.060 114.517 114.554 -0.163 0.000 2.643 274 T HA -0.080 4.267 4.350 -0.005 0.000 0.264 274 T C 1.914 176.450 174.700 -0.273 0.000 1.045 274 T CA 1.067 62.986 62.100 -0.301 0.000 1.155 274 T CB -0.241 68.313 68.868 -0.523 0.000 0.863 274 T HN -0.103 nan 8.240 nan 0.000 0.420 275 V N 1.790 121.577 119.914 -0.211 0.000 2.252 275 V HA -0.151 3.966 4.120 -0.005 0.000 0.249 275 V C 2.676 178.699 176.094 -0.119 0.000 1.056 275 V CA 2.020 64.228 62.300 -0.154 0.000 1.022 275 V CB -0.591 31.181 31.823 -0.085 0.000 0.641 275 V HN 0.480 nan 8.190 nan 0.000 0.445 276 E N -0.350 119.790 120.200 -0.099 0.000 2.150 276 E HA -0.122 4.225 4.350 -0.005 0.000 0.193 276 E C 2.135 178.680 176.600 -0.091 0.000 0.985 276 E CA 1.026 57.383 56.400 -0.072 0.000 0.814 276 E CB -0.058 29.615 29.700 -0.045 0.000 0.752 276 E HN 0.623 nan 8.360 nan 0.000 0.466 277 I N 0.514 120.992 120.570 -0.153 0.000 2.162 277 I HA -0.242 3.925 4.170 -0.005 0.000 0.238 277 I C 2.506 178.559 176.117 -0.107 0.000 1.076 277 I CA 0.991 62.193 61.300 -0.163 0.000 1.353 277 I CB -0.428 37.402 38.000 -0.283 0.000 1.063 277 I HN 0.019 nan 8.210 nan 0.000 0.408 278 A N 0.786 123.531 122.820 -0.125 0.000 2.042 278 A HA -0.297 4.020 4.320 -0.005 0.000 0.222 278 A C 2.422 179.975 177.584 -0.052 0.000 1.167 278 A CA 2.025 54.010 52.037 -0.088 0.000 0.649 278 A CB -0.808 18.124 19.000 -0.113 0.000 0.809 278 A HN 0.424 nan 8.150 nan 0.000 0.457 279 R N -0.989 119.479 120.500 -0.054 0.000 2.062 279 R HA -0.045 4.292 4.340 -0.005 0.000 0.231 279 R C 1.399 177.692 176.300 -0.012 0.000 1.136 279 R CA 1.589 57.670 56.100 -0.031 0.000 0.948 279 R CB -0.291 29.990 30.300 -0.032 0.000 0.845 279 R HN 0.417 nan 8.270 nan 0.000 0.430 280 M N 0.501 120.096 119.600 -0.009 0.000 2.740 280 M HA -0.029 4.448 4.480 -0.005 0.000 0.230 280 M C 0.364 176.679 176.300 0.025 0.000 1.100 280 M CA 0.372 55.680 55.300 0.013 0.000 1.047 280 M CB -0.632 31.983 32.600 0.024 0.000 1.652 280 M HN 0.164 nan 8.290 nan 0.000 0.528 281 C N 1.551 120.863 119.300 0.018 0.000 2.541 281 C HA 0.170 4.627 4.460 -0.005 0.000 0.405 281 C C 0.702 175.724 174.990 0.054 0.000 1.345 281 C CA -1.229 57.811 59.018 0.037 0.000 1.677 281 C CB -1.652 26.102 27.740 0.024 0.000 2.361 281 C HN 0.414 nan 8.230 nan 0.000 0.583 282 D N 1.330 121.762 120.400 0.054 0.000 2.367 282 D HA 0.219 4.856 4.640 -0.005 0.000 0.255 282 D C -0.297 176.055 176.300 0.085 0.000 1.300 282 D CA 0.457 54.492 54.000 0.058 0.000 0.959 282 D CB 0.498 41.323 40.800 0.041 0.000 1.064 282 D HN 0.209 nan 8.370 nan 0.000 0.509 283 V N 4.388 124.365 119.914 0.106 0.000 2.444 283 V HA 0.347 4.463 4.120 -0.005 0.000 0.294 283 V C -0.538 175.611 176.094 0.092 0.000 1.022 283 V CA -0.852 61.524 62.300 0.126 0.000 0.850 283 V CB 1.946 33.855 31.823 0.145 0.000 0.992 283 V HN 0.469 nan 8.190 nan 0.000 0.426 284 D N 4.483 124.875 120.400 -0.014 0.000 2.502 284 D HA 0.503 5.140 4.640 -0.005 0.000 0.249 284 D C -0.564 175.469 176.300 -0.444 0.000 1.092 284 D CA -0.212 53.696 54.000 -0.154 0.000 0.839 284 D CB 2.382 43.114 40.800 -0.114 0.000 1.264 284 D HN 0.323 nan 8.370 nan 0.000 0.511 285 L N 3.446 124.227 121.223 -0.736 0.000 2.260 285 L HA 0.322 4.659 4.340 -0.005 0.000 0.289 285 L C -2.013 174.610 176.870 -0.412 0.000 1.057 285 L CA -1.816 52.615 54.840 -0.681 0.000 0.811 285 L CB 0.775 42.262 42.059 -0.953 0.000 1.184 285 L HN 0.019 nan 8.230 nan 0.000 0.429 286 P HA -0.007 nan 4.420 nan 0.000 0.245 286 P C -0.627 176.568 177.300 -0.175 0.000 1.123 286 P CA 1.169 64.125 63.100 -0.240 0.000 0.853 286 P CB -0.008 31.568 31.700 -0.207 0.000 0.786 287 I N 1.287 121.779 120.570 -0.129 0.000 2.785 287 I HA 0.345 4.512 4.170 -0.005 0.000 0.293 287 I C 1.100 177.179 176.117 -0.063 0.000 1.446 287 I CA -0.386 60.866 61.300 -0.081 0.000 1.028 287 I CB 2.157 40.142 38.000 -0.025 0.000 1.349 287 I HN 0.537 nan 8.210 nan 0.000 0.438 288 G N 4.639 113.398 108.800 -0.067 0.000 2.686 288 G HA2 -0.420 3.537 3.960 -0.005 0.000 0.329 288 G HA3 -0.420 3.537 3.960 -0.005 0.000 0.329 288 G C 0.671 175.528 174.900 -0.071 0.000 1.187 288 G CA 1.240 46.304 45.100 -0.060 0.000 0.965 288 G HN 0.686 nan 8.290 nan 0.000 0.549 289 D N 1.451 121.816 120.400 -0.059 0.000 2.170 289 D HA -0.082 4.555 4.640 -0.005 0.000 0.193 289 D C 2.224 178.476 176.300 -0.081 0.000 1.004 289 D CA 2.125 56.089 54.000 -0.061 0.000 0.860 289 D CB 0.008 40.776 40.800 -0.053 0.000 0.931 289 D HN 0.762 nan 8.370 nan 0.000 0.448 290 K N -0.265 120.076 120.400 -0.097 0.000 4.047 290 K HA 0.251 4.568 4.320 -0.005 0.000 0.172 290 K C 0.510 177.016 176.600 -0.157 0.000 1.146 290 K CA -0.574 55.639 56.287 -0.124 0.000 1.760 290 K CB -0.208 32.208 32.500 -0.139 0.000 2.442 290 K HN 0.044 nan 8.250 nan 0.000 0.539 291 M N 1.377 120.874 119.600 -0.172 0.000 4.027 291 M HA -0.132 4.345 4.480 -0.005 0.000 0.157 291 M C -1.784 174.340 176.300 -0.293 0.000 1.529 291 M CA -0.136 55.037 55.300 -0.211 0.000 1.091 291 M CB -0.625 31.847 32.600 -0.213 0.000 1.345 291 M HN 0.271 nan 8.290 nan 0.000 0.214 292 V N 7.156 126.932 119.914 -0.230 0.000 2.539 292 V HA 0.355 4.471 4.120 -0.005 0.000 0.292 292 V C -0.321 175.647 176.094 -0.210 0.000 1.045 292 V CA -0.292 61.872 62.300 -0.227 0.000 0.945 292 V CB 1.643 33.405 31.823 -0.102 0.000 0.993 292 V HN 0.588 nan 8.190 nan 0.000 0.464 293 Y N 3.870 124.150 120.300 -0.032 0.000 2.650 293 Y HA 0.206 4.753 4.550 -0.005 0.000 0.342 293 Y C 1.057 176.947 175.900 -0.017 0.000 1.110 293 Y CA -0.029 58.056 58.100 -0.025 0.000 1.438 293 Y CB -0.164 38.273 38.460 -0.037 0.000 1.181 293 Y HN 0.444 nan 8.280 nan 0.000 0.526 294 R N 3.716 124.288 120.500 0.120 0.000 3.657 294 R HA 0.240 4.577 4.340 -0.005 0.000 0.220 294 R C -0.840 175.506 176.300 0.078 0.000 1.548 294 R CA -0.186 55.961 56.100 0.078 0.000 1.465 294 R CB -0.174 30.155 30.300 0.049 0.000 1.330 294 R HN 0.502 nan 8.270 nan 0.000 0.707 295 I N 3.429 124.056 120.570 0.094 0.000 2.396 295 I HA 0.184 4.351 4.170 -0.005 0.000 0.289 295 I C -1.814 174.349 176.117 0.076 0.000 1.056 295 I CA -2.937 58.412 61.300 0.082 0.000 1.365 295 I CB 0.672 38.729 38.000 0.096 0.000 1.407 295 I HN 0.162 nan 8.210 nan 0.000 0.509 296 P HA 0.287 nan 4.420 nan 0.000 0.274 296 P C -0.057 177.296 177.300 0.088 0.000 1.231 296 P CA -0.524 62.592 63.100 0.026 0.000 0.790 296 P CB 0.718 32.364 31.700 -0.090 0.000 0.951 297 R N 1.007 121.567 120.500 0.099 0.000 2.615 297 R HA 0.405 4.742 4.340 -0.005 0.000 0.270 297 R C -0.453 175.983 176.300 0.227 0.000 1.081 297 R CA -0.243 55.953 56.100 0.160 0.000 1.154 297 R CB 0.309 30.681 30.300 0.120 0.000 1.063 297 R HN 0.441 nan 8.270 nan 0.000 0.519 298 F N 2.757 122.792 119.950 0.141 0.000 2.469 298 F HA 0.406 4.930 4.527 -0.005 0.000 0.332 298 F C -1.718 174.164 175.800 0.137 0.000 1.103 298 F CA -2.156 55.956 58.000 0.186 0.000 0.979 298 F CB 1.457 40.583 39.000 0.209 0.000 1.137 298 F HN 0.355 nan 8.300 nan 0.000 0.463 299 P HA 0.502 nan 4.420 nan 0.000 0.284 299 P C -1.620 175.796 177.300 0.194 0.000 1.253 299 P CA -0.166 62.968 63.100 0.057 0.000 0.800 299 P CB 1.753 33.404 31.700 -0.082 0.000 0.961 304 R N 0.559 121.072 120.500 0.022 0.000 2.604 304 R HA 0.524 4.861 4.340 -0.005 0.000 0.281 304 R C -0.760 175.575 176.300 0.058 0.000 1.020 304 R CA -0.674 55.448 56.100 0.037 0.000 0.899 304 R CB 0.826 31.130 30.300 0.006 0.000 1.205 304 R HN 0.098 nan 8.270 nan 0.000 0.450 305 T N 1.219 115.818 114.554 0.075 0.000 2.919 305 T HA 0.014 4.361 4.350 -0.005 0.000 0.302 305 T C 1.468 176.231 174.700 0.105 0.000 1.031 305 T CA -0.340 61.809 62.100 0.082 0.000 1.127 305 T CB 1.417 70.331 68.868 0.078 0.000 0.952 305 T HN 0.579 nan 8.240 nan 0.000 0.540 306 E N 1.605 121.869 120.200 0.107 0.000 2.086 306 E HA -0.274 4.073 4.350 -0.005 0.000 0.200 306 E C 2.255 178.922 176.600 0.111 0.000 1.012 306 E CA 1.506 57.980 56.400 0.123 0.000 0.812 306 E CB -0.184 29.591 29.700 0.124 0.000 0.743 306 E HN 0.783 nan 8.360 nan 0.000 0.453 307 A N 0.403 123.279 122.820 0.092 0.000 1.968 307 A HA -0.201 4.116 4.320 -0.005 0.000 0.217 307 A C 2.048 179.678 177.584 0.076 0.000 1.169 307 A CA 1.374 53.453 52.037 0.071 0.000 0.638 307 A CB -0.434 18.602 19.000 0.061 0.000 0.812 307 A HN 0.339 nan 8.150 nan 0.000 0.446 308 Q N -1.686 118.179 119.800 0.108 0.000 2.030 308 Q HA -0.247 4.090 4.340 -0.005 0.000 0.204 308 Q C 1.960 178.064 176.000 0.173 0.000 0.986 308 Q CA 2.080 57.963 55.803 0.134 0.000 0.843 308 Q CB -0.359 28.455 28.738 0.127 0.000 0.904 308 Q HN 0.712 nan 8.270 nan 0.000 0.420 309 Y N 1.030 121.343 120.300 0.021 0.000 2.070 309 Y HA -0.293 4.253 4.550 -0.005 0.000 0.280 309 Y C 2.052 177.932 175.900 -0.034 0.000 1.148 309 Y CA 1.633 59.735 58.100 0.003 0.000 1.125 309 Y CB -0.840 37.611 38.460 -0.015 0.000 0.975 309 Y HN 0.303 nan 8.280 nan 0.000 0.492 310 L N 0.933 122.103 121.223 -0.087 0.000 2.043 310 L HA -0.242 4.095 4.340 -0.005 0.000 0.212 310 L C 2.381 179.099 176.870 -0.253 0.000 1.075 310 L CA 1.862 56.566 54.840 -0.226 0.000 0.752 310 L CB -0.777 41.197 42.059 -0.141 0.000 0.891 310 L HN 0.149 nan 8.230 nan 0.000 0.432 311 R N -0.353 120.055 120.500 -0.153 0.000 2.080 311 R HA -0.227 4.110 4.340 -0.005 0.000 0.236 311 R C 2.283 178.468 176.300 -0.192 0.000 1.137 311 R CA 1.932 57.914 56.100 -0.196 0.000 0.943 311 R CB -0.530 29.806 30.300 0.061 0.000 0.846 311 R HN 0.621 nan 8.270 nan 0.000 0.431 312 E N 0.888 121.109 120.200 0.035 0.000 2.038 312 E HA -0.210 4.137 4.350 -0.005 0.000 0.195 312 E C 2.137 178.716 176.600 -0.034 0.000 1.000 312 E CA 1.214 57.697 56.400 0.138 0.000 0.803 312 E CB -0.109 29.697 29.700 0.177 0.000 0.750 312 E HN 0.229 nan 8.360 nan 0.000 0.448 313 L N 0.506 121.567 121.223 -0.270 0.000 2.079 313 L HA -0.215 4.122 4.340 -0.005 0.000 0.210 313 L C 2.605 179.327 176.870 -0.245 0.000 1.081 313 L CA 1.631 56.282 54.840 -0.316 0.000 0.752 313 L CB -0.442 41.310 42.059 -0.512 0.000 0.896 313 L HN 0.285 nan 8.230 nan 0.000 0.433 314 T N -0.459 113.896 114.554 -0.333 0.000 2.643 314 T HA -0.179 4.168 4.350 -0.005 0.000 0.264 314 T C 1.574 176.113 174.700 -0.269 0.000 1.045 314 T CA 1.594 63.465 62.100 -0.383 0.000 1.155 314 T CB -0.513 68.017 68.868 -0.563 0.000 0.863 314 T HN 0.137 nan 8.240 nan 0.000 0.420 315 F N 1.092 121.005 119.950 -0.063 0.000 2.046 315 F HA -0.038 4.485 4.527 -0.005 0.000 0.297 315 F C 2.327 178.170 175.800 0.071 0.000 1.123 315 F CA 0.774 58.762 58.000 -0.020 0.000 1.199 315 F CB -0.602 38.262 39.000 -0.227 0.000 0.972 315 F HN 0.022 nan 8.300 nan 0.000 0.474 316 L N 0.183 121.526 121.223 0.201 0.000 2.551 316 L HA -0.144 4.193 4.340 -0.005 0.000 0.230 316 L C 2.027 178.936 176.870 0.066 0.000 1.163 316 L CA 1.091 56.017 54.840 0.142 0.000 0.826 316 L CB -0.721 41.386 42.059 0.080 0.000 0.943 316 L HN 0.313 nan 8.230 nan 0.000 0.452 317 G N -0.801 108.005 108.800 0.010 0.000 2.570 317 G HA2 -0.073 3.884 3.960 -0.005 0.000 0.209 317 G HA3 -0.073 3.884 3.960 -0.005 0.000 0.209 317 G C 1.380 176.215 174.900 -0.108 0.000 1.168 317 G CA -0.010 45.032 45.100 -0.096 0.000 0.831 317 G HN 0.233 nan 8.290 nan 0.000 0.564 318 L N 0.404 121.606 121.223 -0.035 0.000 2.021 318 L HA -0.135 4.202 4.340 -0.005 0.000 0.215 318 L C 2.757 179.627 176.870 -0.001 0.000 1.074 318 L CA 0.994 55.829 54.840 -0.008 0.000 0.760 318 L CB -0.480 41.704 42.059 0.207 0.000 0.889 318 L HN 0.186 nan 8.230 nan 0.000 0.433 319 L N -0.559 120.718 121.223 0.091 0.000 2.051 319 L HA -0.298 4.039 4.340 -0.005 0.000 0.214 319 L C 2.942 179.797 176.870 -0.025 0.000 1.076 319 L CA 1.542 56.405 54.840 0.038 0.000 0.758 319 L CB -0.189 41.947 42.059 0.130 0.000 0.890 319 L HN 0.206 nan 8.230 nan 0.000 0.433 320 R N -1.079 119.385 120.500 -0.060 0.000 2.062 320 R HA -0.157 4.180 4.340 -0.005 0.000 0.229 320 R C 2.396 178.586 176.300 -0.182 0.000 1.128 320 R CA 1.340 57.379 56.100 -0.102 0.000 0.960 320 R CB -0.234 29.997 30.300 -0.115 0.000 0.855 320 R HN 0.216 nan 8.270 nan 0.000 0.432 321 R N -0.332 119.973 120.500 -0.325 0.000 2.092 321 R HA -0.060 4.277 4.340 -0.005 0.000 0.231 321 R C 0.104 176.026 176.300 -0.629 0.000 1.119 321 R CA 1.285 57.025 56.100 -0.599 0.000 0.970 321 R CB 0.203 29.914 30.300 -0.982 0.000 0.864 321 R HN 0.209 nan 8.270 nan 0.000 0.440 322 Y N -0.300 119.950 120.300 -0.083 0.000 2.837 322 Y HA 0.288 4.835 4.550 -0.005 0.000 0.356 322 Y C -1.701 174.148 175.900 -0.084 0.000 1.035 322 Y CA -2.494 55.559 58.100 -0.079 0.000 1.165 322 Y CB 1.448 39.850 38.460 -0.097 0.000 1.147 322 Y HN 0.077 nan 8.280 nan 0.000 0.628 323 P HA -0.175 nan 4.420 nan 0.000 0.215 323 P C 0.210 177.510 177.300 0.001 0.000 1.157 323 P CA 1.729 64.833 63.100 0.005 0.000 0.868 323 P CB 0.425 32.123 31.700 -0.004 0.000 0.788 324 D N -0.867 119.539 120.400 0.010 0.000 2.317 324 D HA -0.067 4.569 4.640 -0.005 0.000 0.211 324 D C 1.862 178.141 176.300 -0.035 0.000 0.966 324 D CA 0.668 54.663 54.000 -0.008 0.000 0.876 324 D CB -0.284 40.514 40.800 -0.003 0.000 0.927 324 D HN 0.389 nan 8.370 nan 0.000 0.519 325 R N -0.049 120.419 120.500 -0.054 0.000 2.487 325 R HA 0.288 4.625 4.340 -0.005 0.000 0.272 325 R C -0.098 176.045 176.300 -0.261 0.000 0.928 325 R CA -0.107 55.912 56.100 -0.134 0.000 1.077 325 R CB 0.751 30.967 30.300 -0.141 0.000 1.265 325 R HN 0.097 nan 8.270 nan 0.000 0.537 326 I N 3.098 123.547 120.570 -0.201 0.000 2.468 326 I HA 0.234 4.401 4.170 -0.005 0.000 0.284 326 I C -0.517 175.456 176.117 -0.240 0.000 1.038 326 I CA -0.629 60.470 61.300 -0.335 0.000 1.083 326 I CB 2.117 39.965 38.000 -0.254 0.000 1.223 326 I HN 0.095 nan 8.210 nan 0.000 0.443 327 T N 0.372 114.798 114.554 -0.213 0.000 2.940 327 T HA 0.422 4.769 4.350 -0.005 0.000 0.288 327 T C 0.826 175.467 174.700 -0.097 0.000 1.045 327 T CA -0.648 61.394 62.100 -0.097 0.000 1.018 327 T CB 2.524 71.389 68.868 -0.005 0.000 1.151 327 T HN 0.380 nan 8.240 nan 0.000 0.529 328 E N 1.047 121.241 120.200 -0.010 0.000 2.035 328 E HA -0.138 4.208 4.350 -0.005 0.000 0.204 328 E C 2.423 179.066 176.600 0.072 0.000 1.025 328 E CA 2.279 58.712 56.400 0.056 0.000 0.835 328 E CB -0.966 28.767 29.700 0.055 0.000 0.764 328 E HN 0.819 nan 8.360 nan 0.000 0.457 329 A N -0.208 122.647 122.820 0.059 0.000 1.986 329 A HA -0.227 4.090 4.320 -0.005 0.000 0.220 329 A C 2.147 179.777 177.584 0.075 0.000 1.171 329 A CA 1.650 53.723 52.037 0.060 0.000 0.640 329 A CB -0.851 18.180 19.000 0.052 0.000 0.811 329 A HN 0.371 nan 8.150 nan 0.000 0.451 330 F N -0.859 119.055 119.950 -0.059 0.000 2.060 330 F HA -0.155 4.369 4.527 -0.005 0.000 0.295 330 F C 2.221 178.048 175.800 0.045 0.000 1.120 330 F CA 1.801 59.768 58.000 -0.054 0.000 1.205 330 F CB -0.572 38.339 39.000 -0.148 0.000 0.986 330 F HN 0.346 nan 8.300 nan 0.000 0.470 331 Y N 0.196 120.603 120.300 0.178 0.000 2.102 331 Y HA -0.338 4.209 4.550 -0.005 0.000 0.280 331 Y C 2.761 178.605 175.900 -0.093 0.000 1.178 331 Y CA 1.367 59.490 58.100 0.038 0.000 1.146 331 Y CB -0.518 37.993 38.460 0.085 0.000 0.968 331 Y HN -0.010 nan 8.280 nan 0.000 0.504 332 R N -0.002 120.560 120.500 0.104 0.000 2.103 332 R HA -0.205 4.132 4.340 -0.005 0.000 0.242 332 R C 2.147 178.415 176.300 -0.054 0.000 1.142 332 R CA 1.532 57.642 56.100 0.017 0.000 0.960 332 R CB -0.240 30.073 30.300 0.022 0.000 0.858 332 R HN 0.314 nan 8.270 nan 0.000 0.439 333 E N 0.228 120.355 120.200 -0.122 0.000 2.110 333 E HA -0.136 4.211 4.350 -0.005 0.000 0.193 333 E C 2.044 178.538 176.600 -0.176 0.000 0.988 333 E CA 1.058 57.359 56.400 -0.166 0.000 0.804 333 E CB -0.029 29.531 29.700 -0.234 0.000 0.745 333 E HN 0.128 nan 8.360 nan 0.000 0.458 334 V N 1.045 120.827 119.914 -0.220 0.000 2.261 334 V HA -0.255 3.862 4.120 -0.005 0.000 0.246 334 V C 2.550 178.590 176.094 -0.090 0.000 1.047 334 V CA 1.532 63.755 62.300 -0.129 0.000 1.015 334 V CB -0.576 31.224 31.823 -0.039 0.000 0.642 334 V HN 0.184 nan 8.190 nan 0.000 0.446 335 L N -0.258 120.908 121.223 -0.095 0.000 2.291 335 L HA -0.022 4.315 4.340 -0.005 0.000 0.214 335 L C 2.491 179.305 176.870 -0.093 0.000 1.120 335 L CA 1.139 55.911 54.840 -0.114 0.000 0.799 335 L CB -0.505 41.491 42.059 -0.104 0.000 0.925 335 L HN 0.196 nan 8.230 nan 0.000 0.446 336 R N 0.755 121.209 120.500 -0.076 0.000 2.310 336 R HA 0.061 4.397 4.340 -0.005 0.000 0.202 336 R C 1.117 177.382 176.300 -0.059 0.000 0.933 336 R CA 0.397 56.461 56.100 -0.061 0.000 1.054 336 R CB 0.115 30.385 30.300 -0.050 0.000 0.985 336 R HN 0.387 nan 8.270 nan 0.000 0.489 337 L N 0.999 122.182 121.223 -0.068 0.000 2.741 337 L HA 0.329 4.666 4.340 -0.005 0.000 0.237 337 L C -0.266 176.563 176.870 -0.067 0.000 1.178 337 L CA 0.119 54.927 54.840 -0.054 0.000 0.973 337 L CB 0.279 42.314 42.059 -0.040 0.000 1.255 337 L HN 0.011 nan 8.230 nan 0.000 0.498 347 E N 0.425 120.667 120.200 0.069 0.000 2.075 347 E HA -0.024 4.323 4.350 -0.005 0.000 0.190 347 E C 1.667 178.330 176.600 0.106 0.000 0.969 347 E CA 0.136 56.595 56.400 0.098 0.000 0.815 347 E CB 0.116 29.871 29.700 0.091 0.000 0.776 347 E HN 0.371 nan 8.360 nan 0.000 0.457 348 R N 0.557 121.107 120.500 0.084 0.000 2.105 348 R HA -0.095 4.241 4.340 -0.005 0.000 0.239 348 R C 2.126 178.464 176.300 0.064 0.000 1.135 348 R CA 1.402 57.550 56.100 0.081 0.000 0.967 348 R CB -0.356 29.989 30.300 0.076 0.000 0.861 348 R HN 0.176 nan 8.270 nan 0.000 0.442 349 A N 0.665 123.516 122.820 0.052 0.000 2.125 349 A HA -0.083 4.234 4.320 -0.005 0.000 0.219 349 A C 2.002 179.592 177.584 0.010 0.000 1.156 349 A CA 1.083 53.139 52.037 0.032 0.000 0.671 349 A CB -0.289 18.728 19.000 0.029 0.000 0.794 349 A HN 0.369 nan 8.150 nan 0.000 0.459 350 L N -1.390 119.841 121.223 0.013 0.000 2.127 350 L HA 0.017 4.354 4.340 -0.005 0.000 0.203 350 L C 3.021 179.796 176.870 -0.159 0.000 1.080 350 L CA 0.813 55.627 54.840 -0.043 0.000 0.768 350 L CB -0.600 41.484 42.059 0.041 0.000 0.924 350 L HN 0.327 nan 8.230 nan 0.000 0.444 351 A N 0.220 122.973 122.820 -0.112 0.000 1.865 351 A HA -0.304 4.012 4.320 -0.005 0.000 0.217 351 A C 2.228 179.802 177.584 -0.016 0.000 1.191 351 A CA 2.123 54.107 52.037 -0.088 0.000 0.623 351 A CB -0.734 18.315 19.000 0.082 0.000 0.826 351 A HN 0.449 nan 8.150 nan 0.000 0.444 352 E N -0.715 119.502 120.200 0.027 0.000 2.187 352 E HA -0.217 4.130 4.350 -0.005 0.000 0.199 352 E C 1.948 178.550 176.600 0.003 0.000 1.004 352 E CA 1.260 57.689 56.400 0.047 0.000 0.813 352 E CB -0.192 29.536 29.700 0.046 0.000 0.736 352 E HN 0.626 nan 8.360 nan 0.000 0.468 353 A N -0.118 122.666 122.820 -0.061 0.000 1.901 353 A HA 0.050 4.367 4.320 -0.005 0.000 0.210 353 A C 2.002 179.487 177.584 -0.164 0.000 1.208 353 A CA 0.172 52.152 52.037 -0.096 0.000 0.644 353 A CB -0.365 18.576 19.000 -0.099 0.000 0.863 353 A HN 0.200 nan 8.150 nan 0.000 0.454 354 L N 0.097 121.143 121.223 -0.296 0.000 2.187 354 L HA -0.225 4.112 4.340 -0.005 0.000 0.213 354 L C 2.948 179.691 176.870 -0.213 0.000 1.100 354 L CA 0.999 55.565 54.840 -0.455 0.000 0.765 354 L CB -0.499 40.932 42.059 -1.047 0.000 0.904 354 L HN 0.432 nan 8.230 nan 0.000 0.437 355 A N 0.206 123.017 122.820 -0.016 0.000 1.948 355 A HA -0.212 4.105 4.320 -0.005 0.000 0.220 355 A C 2.267 179.938 177.584 0.146 0.000 1.177 355 A CA 1.593 53.773 52.037 0.238 0.000 0.636 355 A CB -0.440 18.682 19.000 0.204 0.000 0.815 355 A HN 0.400 nan 8.150 nan 0.000 0.449 356 R N -0.502 120.013 120.500 0.025 0.000 2.335 356 R HA 0.188 4.525 4.340 -0.005 0.000 0.223 356 R C -0.560 175.687 176.300 -0.087 0.000 0.940 356 R CA -0.231 55.862 56.100 -0.010 0.000 1.086 356 R CB 0.087 30.371 30.300 -0.027 0.000 1.073 356 R HN 0.330 nan 8.270 nan 0.000 0.504 357 V N 2.149 121.964 119.914 -0.166 0.000 2.508 357 V HA 0.034 4.151 4.120 -0.005 0.000 0.281 357 V C 0.818 176.786 176.094 -0.210 0.000 1.041 357 V CA -0.176 61.876 62.300 -0.412 0.000 1.016 357 V CB 1.023 32.176 31.823 -1.118 0.000 0.984 357 V HN 0.197 nan 8.190 nan 0.000 0.478 358 E N 3.116 123.222 120.200 -0.157 0.000 2.385 358 E HA 0.209 4.555 4.350 -0.005 0.000 0.254 358 E C 0.485 177.161 176.600 0.126 0.000 1.228 358 E CA -0.480 55.928 56.400 0.012 0.000 0.956 358 E CB 1.211 30.909 29.700 -0.003 0.000 1.116 358 E HN 0.673 nan 8.360 nan 0.000 0.507 359 E N -0.034 120.262 120.200 0.160 0.000 2.299 359 E HA -0.075 4.271 4.350 -0.005 0.000 0.193 359 E C 1.437 178.130 176.600 0.154 0.000 0.998 359 E CA 0.545 57.068 56.400 0.205 0.000 0.851 359 E CB 0.257 30.050 29.700 0.154 0.000 0.795 359 E HN 0.279 nan 8.360 nan 0.000 0.492 360 K N -0.130 120.325 120.400 0.092 0.000 2.228 360 K HA 0.031 4.348 4.320 -0.005 0.000 0.202 360 K C 1.913 178.546 176.600 0.056 0.000 1.051 360 K CA 0.883 57.209 56.287 0.066 0.000 0.960 360 K CB 0.208 32.731 32.500 0.038 0.000 0.743 360 K HN 0.004 nan 8.250 nan 0.000 0.458 361 A N 0.059 122.893 122.820 0.023 0.000 1.975 361 A HA -0.050 4.267 4.320 -0.005 0.000 0.215 361 A C 1.675 179.256 177.584 -0.006 0.000 1.170 361 A CA 0.325 52.336 52.037 -0.044 0.000 0.656 361 A CB -0.554 18.352 19.000 -0.156 0.000 0.821 361 A HN 0.389 nan 8.150 nan 0.000 0.449 362 W N 0.657 121.972 121.300 0.024 0.000 2.379 362 W HA -0.057 4.600 4.660 -0.005 0.000 0.307 362 W C 1.329 177.873 176.519 0.041 0.000 1.200 362 W CA 0.905 58.269 57.345 0.033 0.000 1.297 362 W CB 0.134 29.617 29.460 0.040 0.000 1.140 362 W HN 0.311 nan 8.180 nan 0.000 0.507 363 E N 0.595 120.972 120.200 0.296 0.000 2.441 363 E HA -0.086 4.261 4.350 -0.005 0.000 0.210 363 E C 0.050 176.739 176.600 0.147 0.000 1.306 363 E CA 0.437 56.956 56.400 0.198 0.000 1.307 363 E CB -0.374 29.414 29.700 0.146 0.000 1.297 363 E HN 0.438 nan 8.360 nan 0.000 0.440 364 E N 0.156 120.448 120.200 0.153 0.000 2.789 364 E HA 0.152 4.499 4.350 -0.005 0.000 0.208 364 E C 0.684 177.348 176.600 0.107 0.000 0.988 364 E CA -0.034 56.425 56.400 0.100 0.000 1.092 364 E CB 0.608 30.345 29.700 0.061 0.000 1.066 364 E HN 0.208 nan 8.360 nan 0.000 0.465 365 L N -0.690 120.625 121.223 0.152 0.000 2.678 365 L HA 0.170 4.507 4.340 -0.005 0.000 0.211 365 L C 2.358 179.303 176.870 0.125 0.000 1.043 365 L CA -0.007 54.923 54.840 0.150 0.000 0.881 365 L CB -0.261 41.938 42.059 0.233 0.000 1.361 365 L HN 0.022 nan 8.230 nan 0.000 0.484 366 R N 2.570 123.157 120.500 0.144 0.000 2.103 366 R HA -0.200 4.137 4.340 -0.005 0.000 0.242 366 R C 1.760 178.088 176.300 0.045 0.000 1.142 366 R CA 2.015 58.176 56.100 0.101 0.000 0.960 366 R CB -0.738 29.647 30.300 0.142 0.000 0.858 366 R HN 0.417 nan 8.270 nan 0.000 0.439 367 K N 0.585 121.016 120.400 0.052 0.000 2.525 367 K HA 0.087 4.404 4.320 -0.005 0.000 0.192 367 K C 0.293 176.907 176.600 0.024 0.000 1.029 367 K CA 0.368 56.673 56.287 0.029 0.000 1.029 367 K CB 0.164 32.684 32.500 0.033 0.000 0.814 367 K HN 0.181 nan 8.250 nan 0.000 0.503 378 W N 4.363 125.598 121.300 -0.108 0.000 1.836 378 W HA 0.176 4.833 4.660 -0.005 0.000 0.449 378 W C 1.001 177.418 176.519 -0.170 0.000 0.787 378 W CA 0.054 57.314 57.345 -0.141 0.000 1.729 378 W CB 0.754 30.109 29.460 -0.176 0.000 1.802 378 W HN 0.313 nan 8.180 nan 0.000 0.257 379 T N 0.821 115.389 114.554 0.023 0.000 2.701 379 T HA 0.225 4.572 4.350 -0.005 0.000 0.303 379 T C 1.531 176.203 174.700 -0.047 0.000 1.030 379 T CA 0.448 62.534 62.100 -0.024 0.000 1.010 379 T CB 1.048 69.892 68.868 -0.040 0.000 1.007 379 T HN 0.397 nan 8.240 nan 0.000 0.532 380 A N 1.366 124.112 122.820 -0.125 0.000 1.933 380 A HA -0.040 4.277 4.320 -0.005 0.000 0.218 380 A C 2.123 179.588 177.584 -0.198 0.000 1.175 380 A CA 2.070 53.917 52.037 -0.316 0.000 0.628 380 A CB -0.802 17.877 19.000 -0.535 0.000 0.814 380 A HN 0.901 nan 8.150 nan 0.000 0.444 381 E N -0.035 120.185 120.200 0.034 0.000 2.028 381 E HA 0.050 4.397 4.350 -0.005 0.000 0.190 381 E C 2.318 178.994 176.600 0.128 0.000 0.984 381 E CA 1.233 57.733 56.400 0.167 0.000 0.800 381 E CB -0.563 29.226 29.700 0.147 0.000 0.758 381 E HN 0.524 nan 8.360 nan 0.000 0.448 382 A N 0.932 123.796 122.820 0.072 0.000 1.971 382 A HA -0.270 4.047 4.320 -0.005 0.000 0.222 382 A C 2.238 180.014 177.584 0.319 0.000 1.182 382 A CA 1.783 53.879 52.037 0.099 0.000 0.649 382 A CB -0.942 18.034 19.000 -0.040 0.000 0.818 382 A HN 0.240 nan 8.150 nan 0.000 0.458 383 I N -0.953 119.755 120.570 0.229 0.000 2.163 383 I HA -0.223 3.944 4.170 -0.005 0.000 0.240 383 I C 2.481 178.674 176.117 0.126 0.000 1.081 383 I CA 0.975 62.349 61.300 0.123 0.000 1.353 383 I CB -0.493 37.433 38.000 -0.123 0.000 1.054 383 I HN 0.304 nan 8.210 nan 0.000 0.407 384 L N 0.213 121.520 121.223 0.140 0.000 1.963 384 L HA -0.358 3.979 4.340 -0.005 0.000 0.220 384 L C 2.820 179.739 176.870 0.081 0.000 1.076 384 L CA 1.813 56.754 54.840 0.170 0.000 0.772 384 L CB -0.961 41.259 42.059 0.268 0.000 0.892 384 L HN 0.430 nan 8.230 nan 0.000 0.435 385 H N 0.130 119.216 119.070 0.025 0.000 2.296 385 H HA -0.311 4.242 4.556 -0.005 0.000 0.291 385 H C 2.415 177.747 175.328 0.008 0.000 1.074 385 H CA 2.718 58.755 56.048 -0.018 0.000 1.176 385 H CB -0.037 29.718 29.762 -0.011 0.000 1.357 385 H HN 0.120 nan 8.280 nan 0.000 0.520 386 R N 1.020 121.647 120.500 0.213 0.000 2.140 386 R HA -0.189 4.147 4.340 -0.005 0.000 0.250 386 R C 2.435 178.713 176.300 -0.036 0.000 1.150 386 R CA 2.158 58.353 56.100 0.158 0.000 0.966 386 R CB -1.041 29.426 30.300 0.278 0.000 0.869 386 R HN 0.404 nan 8.270 nan 0.000 0.445 387 A N 0.296 123.083 122.820 -0.055 0.000 1.865 387 A HA -0.117 4.200 4.320 -0.005 0.000 0.217 387 A C 2.324 179.752 177.584 -0.260 0.000 1.191 387 A CA 1.812 53.754 52.037 -0.157 0.000 0.623 387 A CB -0.708 18.236 19.000 -0.093 0.000 0.826 387 A HN 0.371 nan 8.150 nan 0.000 0.444 388 L N -2.146 118.918 121.223 -0.264 0.000 2.083 388 L HA -0.177 4.160 4.340 -0.005 0.000 0.209 388 L C 2.582 179.263 176.870 -0.315 0.000 1.083 388 L CA 1.684 56.300 54.840 -0.374 0.000 0.752 388 L CB -0.770 40.918 42.059 -0.618 0.000 0.899 388 L HN 0.561 nan 8.230 nan 0.000 0.433 389 Y N 1.267 121.302 120.300 -0.442 0.000 2.070 389 Y HA -0.274 4.272 4.550 -0.005 0.000 0.280 389 Y C 2.530 178.188 175.900 -0.403 0.000 1.148 389 Y CA 1.613 59.482 58.100 -0.385 0.000 1.125 389 Y CB -0.435 37.813 38.460 -0.354 0.000 0.975 389 Y HN 0.163 nan 8.280 nan 0.000 0.492 390 E N 0.089 119.851 120.200 -0.730 0.000 2.086 390 E HA -0.291 4.056 4.350 -0.005 0.000 0.200 390 E C 2.254 178.505 176.600 -0.583 0.000 1.012 390 E CA 1.999 57.705 56.400 -1.156 0.000 0.812 390 E CB -0.552 28.535 29.700 -1.022 0.000 0.743 390 E HN 0.497 nan 8.360 nan 0.000 0.453 391 L N 0.655 121.627 121.223 -0.418 0.000 2.083 391 L HA -0.185 4.151 4.340 -0.005 0.000 0.209 391 L C 2.750 179.509 176.870 -0.185 0.000 1.083 391 L CA 1.161 55.830 54.840 -0.284 0.000 0.752 391 L CB -0.380 41.520 42.059 -0.266 0.000 0.899 391 L HN 0.117 nan 8.230 nan 0.000 0.433 392 S N -0.400 115.182 115.700 -0.197 0.000 2.368 392 S HA -0.154 4.313 4.470 -0.005 0.000 0.225 392 S C 1.918 176.464 174.600 -0.089 0.000 1.030 392 S CA 1.639 59.776 58.200 -0.105 0.000 0.999 392 S CB -0.247 62.911 63.200 -0.070 0.000 0.844 392 S HN 0.198 nan 8.310 nan 0.000 0.459 393 V N 1.562 121.369 119.914 -0.179 0.000 2.548 393 V HA -0.022 4.094 4.120 -0.005 0.000 0.249 393 V C 2.340 178.473 176.094 0.066 0.000 1.055 393 V CA 1.501 63.766 62.300 -0.059 0.000 1.065 393 V CB -0.686 31.100 31.823 -0.062 0.000 0.681 393 V HN 0.482 nan 8.190 nan 0.000 0.462 394 I N -0.032 120.565 120.570 0.046 0.000 2.133 394 I HA -0.199 3.968 4.170 -0.005 0.000 0.238 394 I C 2.664 178.837 176.117 0.094 0.000 1.074 394 I CA 1.628 62.994 61.300 0.111 0.000 1.342 394 I CB -0.358 37.601 38.000 -0.067 0.000 1.053 394 I HN 0.319 nan 8.210 nan 0.000 0.404 395 E N 0.505 120.718 120.200 0.023 0.000 2.049 395 E HA -0.301 4.046 4.350 -0.005 0.000 0.198 395 E C 2.322 178.933 176.600 0.017 0.000 1.007 395 E CA 1.260 57.675 56.400 0.026 0.000 0.809 395 E CB -0.274 29.438 29.700 0.020 0.000 0.749 395 E HN 0.320 nan 8.360 nan 0.000 0.450 396 R N 0.466 120.977 120.500 0.017 0.000 2.117 396 R HA -0.143 4.193 4.340 -0.005 0.000 0.243 396 R C 2.221 178.510 176.300 -0.019 0.000 1.143 396 R CA 1.381 57.488 56.100 0.010 0.000 0.968 396 R CB -0.084 30.231 30.300 0.025 0.000 0.863 396 R HN 0.224 nan 8.270 nan 0.000 0.444 397 M N -1.497 118.096 119.600 -0.012 0.000 2.419 397 M HA 0.040 4.517 4.480 -0.005 0.000 0.264 397 M C 1.095 177.160 176.300 -0.392 0.000 1.082 397 M CA 1.270 56.510 55.300 -0.099 0.000 1.119 397 M CB 0.518 33.183 32.600 0.108 0.000 1.398 397 M HN 0.523 nan 8.290 nan 0.000 0.453 398 G N 0.073 108.699 108.800 -0.289 0.000 2.134 398 G HA2 -0.236 3.721 3.960 -0.005 0.000 0.209 398 G HA3 -0.236 3.721 3.960 -0.005 0.000 0.209 398 G C 0.108 174.781 174.900 -0.379 0.000 0.993 398 G CA -0.564 44.319 45.100 -0.362 0.000 0.669 398 G HN 0.494 nan 8.290 nan 0.000 0.519 399 F N 0.572 120.569 119.950 0.079 0.000 2.850 399 F HA 0.275 4.799 4.527 -0.005 0.000 0.306 399 F C -0.501 175.506 175.800 0.345 0.000 1.162 399 F CA -1.306 56.820 58.000 0.210 0.000 1.327 399 F CB 0.893 40.064 39.000 0.284 0.000 0.953 399 F HN 0.092 nan 8.300 nan 0.000 0.507 400 P HA -0.001 nan 4.420 nan 0.000 0.217 400 P C 2.031 179.499 177.300 0.280 0.000 1.154 400 P CA 1.213 64.473 63.100 0.266 0.000 0.841 400 P CB 0.088 31.861 31.700 0.122 0.000 0.790 401 G N 0.153 109.099 108.800 0.244 0.000 2.599 401 G HA2 -0.366 3.591 3.960 -0.005 0.000 0.219 401 G HA3 -0.366 3.591 3.960 -0.005 0.000 0.219 401 G C 1.585 176.675 174.900 0.316 0.000 1.193 401 G CA 1.242 46.487 45.100 0.242 0.000 0.778 401 G HN 0.136 nan 8.290 nan 0.000 0.589 402 Y N 1.218 121.652 120.300 0.223 0.000 2.029 402 Y HA -0.268 4.279 4.550 -0.005 0.000 0.269 402 Y C 2.548 178.513 175.900 0.108 0.000 1.201 402 Y CA 1.897 60.090 58.100 0.155 0.000 1.115 402 Y CB -1.088 37.447 38.460 0.126 0.000 0.945 402 Y HN 0.209 nan 8.280 nan 0.000 0.497 403 F N -0.639 119.302 119.950 -0.014 0.000 2.161 403 F HA -0.263 4.261 4.527 -0.005 0.000 0.300 403 F C 2.320 178.033 175.800 -0.144 0.000 1.089 403 F CA 1.538 59.432 58.000 -0.177 0.000 1.282 403 F CB -0.770 38.177 39.000 -0.089 0.000 1.010 403 F HN 0.063 nan 8.300 nan 0.000 0.485 404 L N -0.182 121.078 121.223 0.063 0.000 1.948 404 L HA -0.247 4.090 4.340 -0.005 0.000 0.212 404 L C 2.330 179.243 176.870 0.071 0.000 1.074 404 L CA 1.553 56.300 54.840 -0.154 0.000 0.753 404 L CB -0.920 40.796 42.059 -0.572 0.000 0.888 404 L HN 0.022 nan 8.230 nan 0.000 0.432 405 I N -0.731 120.048 120.570 0.348 0.000 2.191 405 I HA -0.396 3.771 4.170 -0.005 0.000 0.248 405 I C 2.367 178.814 176.117 0.552 0.000 1.061 405 I CA 1.598 63.302 61.300 0.673 0.000 1.329 405 I CB -0.655 37.611 38.000 0.444 0.000 1.024 405 I HN 0.093 nan 8.210 nan 0.000 0.423 406 V N 0.414 120.443 119.914 0.191 0.000 2.255 406 V HA -0.261 3.856 4.120 -0.005 0.000 0.243 406 V C 2.489 178.273 176.094 -0.517 0.000 1.038 406 V CA 2.084 64.276 62.300 -0.181 0.000 1.008 406 V CB -0.879 30.756 31.823 -0.313 0.000 0.645 406 V HN 0.552 nan 8.190 nan 0.000 0.449 407 Q N 1.052 120.720 119.800 -0.220 0.000 2.045 407 Q HA -0.328 4.009 4.340 -0.005 0.000 0.206 407 Q C 1.978 177.920 176.000 -0.096 0.000 0.991 407 Q CA 2.896 58.596 55.803 -0.172 0.000 0.851 407 Q CB -0.773 27.907 28.738 -0.096 0.000 0.911 407 Q HN 0.733 nan 8.270 nan 0.000 0.418 408 D N -0.235 120.223 120.400 0.098 0.000 2.137 408 D HA -0.251 4.386 4.640 -0.005 0.000 0.189 408 D C 2.175 178.644 176.300 0.283 0.000 0.998 408 D CA 2.609 56.789 54.000 0.301 0.000 0.839 408 D CB -0.835 40.352 40.800 0.646 0.000 0.962 408 D HN 0.590 nan 8.370 nan 0.000 0.446 409 Y N 0.064 120.585 120.300 0.368 0.000 2.207 409 Y HA -0.065 4.482 4.550 -0.005 0.000 0.287 409 Y C 2.278 178.326 175.900 0.247 0.000 1.156 409 Y CA 1.042 59.314 58.100 0.287 0.000 1.182 409 Y CB -0.943 37.799 38.460 0.470 0.000 0.979 409 Y HN 0.105 nan 8.280 nan 0.000 0.521 410 I N 0.999 121.509 120.570 -0.100 0.000 2.163 410 I HA -0.289 3.877 4.170 -0.005 0.000 0.240 410 I C 1.846 178.018 176.117 0.091 0.000 1.081 410 I CA 1.631 62.947 61.300 0.028 0.000 1.353 410 I CB -0.548 37.329 38.000 -0.204 0.000 1.054 410 I HN 0.265 nan 8.210 nan 0.000 0.407 411 N N -0.193 118.532 118.700 0.042 0.000 2.520 411 N HA -0.195 4.542 4.740 -0.005 0.000 0.185 411 N C 1.324 176.891 175.510 0.095 0.000 1.068 411 N CA 0.818 53.898 53.050 0.050 0.000 0.911 411 N CB -0.214 38.292 38.487 0.032 0.000 0.961 411 N HN 0.504 nan 8.380 nan 0.000 0.446 412 W N 1.712 122.953 121.300 -0.098 0.000 2.452 412 W HA 0.071 4.727 4.660 -0.006 0.000 0.313 412 W C 2.272 178.718 176.519 -0.122 0.000 1.176 412 W CA 1.736 58.941 57.345 -0.234 0.000 1.350 412 W CB -0.574 28.466 29.460 -0.700 0.000 1.148 412 W HN 0.004 nan 8.180 nan 0.000 0.498 413 A N 1.230 124.163 122.820 0.188 0.000 1.986 413 A HA -0.245 4.072 4.320 -0.005 0.000 0.220 413 A C 2.018 179.584 177.584 -0.030 0.000 1.171 413 A CA 1.984 54.079 52.037 0.096 0.000 0.640 413 A CB -0.777 18.484 19.000 0.434 0.000 0.811 413 A HN 0.454 nan 8.150 nan 0.000 0.451 414 R N -1.236 119.265 120.500 0.000 0.000 2.075 414 R HA -0.126 4.211 4.340 -0.005 0.000 0.230 414 R C 2.389 178.643 176.300 -0.076 0.000 1.140 414 R CA 1.389 57.476 56.100 -0.022 0.000 0.928 414 R CB -0.925 29.366 30.300 -0.014 0.000 0.834 414 R HN 0.513 nan 8.270 nan 0.000 0.429 415 G N -0.006 108.742 108.800 -0.088 0.000 2.625 415 G HA2 -0.186 3.770 3.960 -0.005 0.000 0.214 415 G HA3 -0.186 3.770 3.960 -0.005 0.000 0.214 415 G C 0.763 175.498 174.900 -0.275 0.000 1.132 415 G CA 0.453 45.481 45.100 -0.121 0.000 0.782 415 G HN 0.471 nan 8.290 nan 0.000 0.538 416 H N -0.473 118.292 119.070 -0.508 0.000 2.486 416 H HA 0.281 4.834 4.556 -0.005 0.000 0.284 416 H C 1.532 176.662 175.328 -0.331 0.000 1.103 416 H CA -0.040 55.661 56.048 -0.580 0.000 1.089 416 H CB 0.559 29.560 29.762 -1.268 0.000 1.603 416 H HN 0.337 nan 8.280 nan 0.000 0.557 417 G N 1.521 110.240 108.800 -0.134 0.000 2.298 417 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.287 417 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.287 417 G C -0.216 174.683 174.900 -0.003 0.000 1.075 417 G CA 0.272 45.336 45.100 -0.060 0.000 0.960 417 G HN 0.236 nan 8.290 nan 0.000 0.502 418 V N 0.516 120.443 119.914 0.021 0.000 2.385 418 V HA 0.439 4.556 4.120 -0.005 0.000 0.277 418 V C 0.822 177.005 176.094 0.148 0.000 1.012 418 V CA -0.477 61.890 62.300 0.113 0.000 0.832 418 V CB 1.408 33.331 31.823 0.166 0.000 1.028 418 V HN 0.482 nan 8.190 nan 0.000 0.436 419 S N 3.070 118.841 115.700 0.118 0.000 2.558 419 S HA 0.232 4.699 4.470 -0.005 0.000 0.293 419 S C 0.052 174.695 174.600 0.070 0.000 1.292 419 S CA 0.139 58.387 58.200 0.080 0.000 1.063 419 S CB 0.682 63.913 63.200 0.052 0.000 0.831 419 S HN 0.498 nan 8.310 nan 0.000 0.499 420 V N 3.732 123.630 119.914 -0.026 0.000 2.444 420 V HA 0.511 4.628 4.120 -0.005 0.000 0.294 420 V C 0.887 176.856 176.094 -0.209 0.000 1.022 420 V CA -0.751 61.436 62.300 -0.188 0.000 0.850 420 V CB 1.548 33.262 31.823 -0.182 0.000 0.992 420 V HN 0.972 nan 8.190 nan 0.000 0.426 421 G N 5.249 113.874 108.800 -0.292 0.000 2.544 421 G HA2 0.304 4.261 3.960 -0.005 0.000 0.242 421 G HA3 0.304 4.261 3.960 -0.005 0.000 0.242 421 G C -0.907 173.862 174.900 -0.217 0.000 1.247 421 G CA -0.782 44.157 45.100 -0.270 0.000 0.840 421 G HN 0.601 nan 8.290 nan 0.000 0.578 422 P HA -0.016 nan 4.420 nan 0.000 0.222 422 P C 0.974 178.219 177.300 -0.092 0.000 1.142 422 P CA 1.686 64.722 63.100 -0.106 0.000 0.788 422 P CB 0.018 31.662 31.700 -0.093 0.000 0.767 423 G N -0.270 108.470 108.800 -0.100 0.000 2.354 423 G HA2 0.219 4.176 3.960 -0.005 0.000 0.582 423 G HA3 0.219 4.176 3.960 -0.005 0.000 0.582 423 G C -1.551 173.395 174.900 0.077 0.000 1.316 423 G CA -0.659 44.402 45.100 -0.066 0.000 0.995 423 G HN 0.522 nan 8.290 nan 0.000 0.573 424 R N -0.820 119.720 120.500 0.067 0.000 2.707 424 R HA 0.847 5.183 4.340 -0.005 0.000 0.272 424 R C 0.695 176.954 176.300 -0.068 0.000 1.011 424 R CA 0.327 56.503 56.100 0.127 0.000 0.893 424 R CB 1.370 31.783 30.300 0.188 0.000 1.233 424 R HN 2.691 nan 8.270 nan 0.000 0.464 425 G N 1.017 109.687 108.800 -0.218 0.000 2.601 425 G HA2 -0.380 3.577 3.960 -0.005 0.000 0.252 425 G HA3 -0.380 3.577 3.960 -0.005 0.000 0.252 425 G C 0.774 175.635 174.900 -0.064 0.000 1.294 425 G CA 0.419 45.398 45.100 -0.202 0.000 0.912 425 G HN 1.407 nan 8.290 nan 0.000 0.574 426 S N -0.225 115.467 115.700 -0.014 0.000 2.387 426 S HA -0.019 4.448 4.470 -0.005 0.000 0.230 426 S C 2.795 177.411 174.600 0.026 0.000 1.035 426 S CA 2.817 61.055 58.200 0.063 0.000 1.014 426 S CB -0.925 62.364 63.200 0.148 0.000 0.836 426 S HN 2.363 nan 8.310 nan 0.000 0.466 427 A N 2.805 125.597 122.820 -0.045 0.000 1.929 427 A HA -0.116 4.201 4.320 -0.005 0.000 0.221 427 A C 2.643 179.904 177.584 -0.538 0.000 1.211 427 A CA 2.873 54.565 52.037 -0.575 0.000 0.657 427 A CB -1.824 17.007 19.000 -0.282 0.000 0.827 427 A HN 1.226 nan 8.150 nan 0.000 0.462 428 A N -1.072 121.602 122.820 -0.242 0.000 1.958 428 A HA -0.014 4.303 4.320 -0.005 0.000 0.221 428 A C 2.365 179.859 177.584 -0.150 0.000 1.178 428 A CA 2.252 54.191 52.037 -0.164 0.000 0.642 428 A CB -1.370 17.572 19.000 -0.098 0.000 0.816 428 A HN 1.056 nan 8.150 nan 0.000 0.453 429 G N -1.254 107.469 108.800 -0.129 0.000 2.650 429 G HA2 0.189 4.146 3.960 -0.005 0.000 0.214 429 G HA3 0.189 4.146 3.960 -0.005 0.000 0.214 429 G C 0.838 175.772 174.900 0.057 0.000 1.136 429 G CA 0.819 45.902 45.100 -0.028 0.000 0.789 429 G HN 0.604 nan 8.290 nan 0.000 0.536 430 S N 0.017 115.705 115.700 -0.020 0.000 2.528 430 S HA 0.231 4.698 4.470 -0.005 0.000 0.277 430 S C 1.348 176.015 174.600 0.110 0.000 1.297 430 S CA -0.754 57.578 58.200 0.219 0.000 1.052 430 S CB 1.165 64.470 63.200 0.174 0.000 0.917 430 S HN 0.108 nan 8.310 nan 0.000 0.492 431 L N 6.941 128.228 121.223 0.107 0.000 2.056 431 L HA 0.063 4.400 4.340 -0.005 0.000 0.207 431 L C 2.198 179.064 176.870 -0.006 0.000 1.078 431 L CA 1.703 56.577 54.840 0.056 0.000 0.749 431 L CB -0.748 41.308 42.059 -0.006 0.000 0.901 431 L HN 0.658 nan 8.230 nan 0.000 0.433 432 V N 0.344 120.202 119.914 -0.094 0.000 2.255 432 V HA -0.358 3.758 4.120 -0.005 0.000 0.247 432 V C 2.845 178.865 176.094 -0.122 0.000 1.051 432 V CA 1.807 63.992 62.300 -0.191 0.000 1.018 432 V CB -1.355 30.265 31.823 -0.338 0.000 0.641 432 V HN 0.635 nan 8.190 nan 0.000 0.445 433 A N -0.917 121.889 122.820 -0.023 0.000 1.927 433 A HA -0.334 3.983 4.320 -0.005 0.000 0.220 433 A C 2.176 179.754 177.584 -0.010 0.000 1.185 433 A CA 2.609 54.658 52.037 0.019 0.000 0.639 433 A CB -0.801 18.155 19.000 -0.074 0.000 0.820 433 A HN 0.736 nan 8.150 nan 0.000 0.451 434 Y N -0.048 120.176 120.300 -0.127 0.000 2.475 434 Y HA 0.301 4.848 4.550 -0.005 0.000 0.289 434 Y C 2.408 178.215 175.900 -0.156 0.000 1.121 434 Y CA 0.418 58.436 58.100 -0.136 0.000 1.257 434 Y CB -0.467 37.919 38.460 -0.122 0.000 1.026 434 Y HN 0.280 nan 8.280 nan 0.000 0.555 435 A N -0.324 122.300 122.820 -0.326 0.000 1.968 435 A HA -0.033 4.283 4.320 -0.005 0.000 0.217 435 A C 1.658 179.034 177.584 -0.347 0.000 1.169 435 A CA 1.799 53.587 52.037 -0.415 0.000 0.638 435 A CB -0.922 17.916 19.000 -0.270 0.000 0.812 435 A HN 0.246 nan 8.150 nan 0.000 0.446 436 V N -1.606 118.156 119.914 -0.254 0.000 3.342 436 V HA 0.441 4.558 4.120 -0.005 0.000 0.322 436 V C 1.375 177.364 176.094 -0.175 0.000 1.370 436 V CA 0.181 62.357 62.300 -0.208 0.000 1.170 436 V CB -1.075 30.638 31.823 -0.182 0.000 1.101 436 V HN 1.026 nan 8.190 nan 0.000 0.442 437 G N 1.049 109.731 108.800 -0.197 0.000 2.249 437 G HA2 -0.284 3.672 3.960 -0.005 0.000 0.273 437 G HA3 -0.284 3.672 3.960 -0.005 0.000 0.273 437 G C 0.535 175.361 174.900 -0.123 0.000 1.036 437 G CA 0.957 45.968 45.100 -0.149 0.000 0.824 437 G HN 0.526 nan 8.290 nan 0.000 0.504 438 I N -0.496 120.003 120.570 -0.119 0.000 2.260 438 I HA 0.032 4.199 4.170 -0.005 0.000 0.237 438 I C 1.856 177.897 176.117 -0.126 0.000 1.075 438 I CA 1.121 62.333 61.300 -0.147 0.000 1.376 438 I CB -0.494 37.423 38.000 -0.139 0.000 1.107 438 I HN 0.195 nan 8.210 nan 0.000 0.420 439 T N 1.726 116.235 114.554 -0.074 0.000 2.899 439 T HA 0.073 4.420 4.350 -0.005 0.000 0.295 439 T C 0.347 175.099 174.700 0.086 0.000 1.033 439 T CA -0.100 61.983 62.100 -0.028 0.000 1.084 439 T CB 0.415 69.273 68.868 -0.016 0.000 0.979 439 T HN 0.272 nan 8.240 nan 0.000 0.532 440 N N 2.479 121.215 118.700 0.060 0.000 2.672 440 N HA 0.397 5.134 4.740 -0.005 0.000 0.295 440 N C -1.390 174.131 175.510 0.018 0.000 1.924 440 N CA -0.025 53.111 53.050 0.143 0.000 0.851 440 N CB 0.383 38.898 38.487 0.048 0.000 1.281 440 N HN 0.511 nan 8.380 nan 0.000 0.494 441 I N 0.175 120.603 120.570 -0.237 0.000 2.722 441 I HA 0.156 4.323 4.170 -0.005 0.000 0.292 441 I C -1.361 174.204 176.117 -0.920 0.000 1.267 441 I CA -0.694 60.400 61.300 -0.344 0.000 1.036 441 I CB 2.109 40.023 38.000 -0.144 0.000 1.281 441 I HN 0.024 nan 8.210 nan 0.000 0.423 442 D N 9.434 129.383 120.400 -0.752 0.000 2.349 442 D HA 0.132 4.768 4.640 -0.005 0.000 0.266 442 D C -1.630 174.406 176.300 -0.441 0.000 1.293 442 D CA -1.863 51.649 54.000 -0.813 0.000 0.926 442 D CB 1.206 41.800 40.800 -0.343 0.000 1.090 442 D HN 0.277 nan 8.370 nan 0.000 0.502 443 P HA -0.088 nan 4.420 nan 0.000 0.233 443 P C 0.934 178.120 177.300 -0.189 0.000 1.167 443 P CA 0.584 63.566 63.100 -0.197 0.000 0.770 443 P CB 0.169 31.791 31.700 -0.131 0.000 0.837 444 L N -4.310 116.687 121.223 -0.377 0.000 2.731 444 L HA 0.434 4.771 4.340 -0.005 0.000 0.240 444 L C 2.336 178.884 176.870 -0.537 0.000 1.120 444 L CA 0.297 54.777 54.840 -0.600 0.000 0.913 444 L CB -0.947 40.227 42.059 -1.476 0.000 1.213 444 L HN -0.324 nan 8.230 nan 0.000 0.515 445 R N -0.097 120.107 120.500 -0.494 0.000 2.153 445 R HA 0.197 4.533 4.340 -0.005 0.000 0.218 445 R C 0.005 175.926 176.300 -0.631 0.000 1.072 445 R CA 0.671 56.440 56.100 -0.552 0.000 0.990 445 R CB 0.112 29.994 30.300 -0.697 0.000 0.889 445 R HN 0.284 nan 8.270 nan 0.000 0.452 446 F N -2.259 117.623 119.950 -0.113 0.000 2.525 446 F HA 0.367 4.891 4.527 -0.005 0.000 0.346 446 F C 1.599 177.374 175.800 -0.042 0.000 1.072 446 F CA -0.984 56.971 58.000 -0.075 0.000 1.033 446 F CB 0.680 39.609 39.000 -0.118 0.000 1.324 446 F HN -0.182 nan 8.300 nan 0.000 0.491 447 G N 1.113 110.024 108.800 0.185 0.000 3.379 447 G HA2 0.245 4.202 3.960 -0.005 0.000 0.253 447 G HA3 0.245 4.202 3.960 -0.005 0.000 0.253 447 G C 0.093 175.043 174.900 0.085 0.000 1.262 447 G CA -0.196 44.982 45.100 0.130 0.000 0.959 447 G HN 0.232 nan 8.290 nan 0.000 0.524 448 L N 0.259 121.519 121.223 0.062 0.000 2.461 448 L HA 0.361 4.698 4.340 -0.005 0.000 0.272 448 L C 0.139 177.059 176.870 0.083 0.000 1.197 448 L CA -0.023 54.834 54.840 0.028 0.000 0.836 448 L CB 0.922 42.976 42.059 -0.009 0.000 1.105 448 L HN -0.015 nan 8.230 nan 0.000 0.477 449 L N 1.795 123.074 121.223 0.092 0.000 2.362 449 L HA 0.229 4.566 4.340 -0.005 0.000 0.275 449 L C 0.375 177.368 176.870 0.205 0.000 0.998 449 L CA -0.483 54.454 54.840 0.162 0.000 0.820 449 L CB 2.219 44.360 42.059 0.137 0.000 1.270 449 L HN 0.521 nan 8.230 nan 0.000 0.415 450 F N 1.790 121.824 119.950 0.140 0.000 2.206 450 F HA -0.084 4.440 4.527 -0.005 0.000 0.298 450 F C 1.807 177.726 175.800 0.198 0.000 1.090 450 F CA 1.410 59.516 58.000 0.176 0.000 1.323 450 F CB 0.341 39.438 39.000 0.163 0.000 1.028 450 F HN 0.559 nan 8.300 nan 0.000 0.492 451 E N 0.048 120.372 120.200 0.206 0.000 2.338 451 E HA -0.119 4.228 4.350 -0.005 0.000 0.197 451 E C 2.047 178.636 176.600 -0.017 0.000 1.007 451 E CA 0.483 56.931 56.400 0.081 0.000 0.849 451 E CB -0.326 29.501 29.700 0.212 0.000 0.774 451 E HN 0.313 nan 8.360 nan 0.000 0.506 452 R N -0.736 119.775 120.500 0.018 0.000 2.200 452 R HA 0.003 4.339 4.340 -0.005 0.000 0.208 452 R C 1.475 177.773 176.300 -0.003 0.000 1.033 452 R CA 0.443 56.547 56.100 0.006 0.000 1.000 452 R CB 0.012 30.330 30.300 0.030 0.000 0.906 452 R HN 0.259 nan 8.270 nan 0.000 0.462 453 F N 0.034 119.861 119.950 -0.205 0.000 2.317 453 F HA 0.228 4.752 4.527 -0.005 0.000 0.293 453 F C 0.198 175.828 175.800 -0.284 0.000 1.085 453 F CA 0.619 58.485 58.000 -0.224 0.000 1.390 453 F CB 0.430 39.305 39.000 -0.209 0.000 1.077 453 F HN -0.189 nan 8.300 nan 0.000 0.517 454 L N 1.928 122.768 121.223 -0.638 0.000 2.485 454 L HA 0.263 4.600 4.340 -0.005 0.000 0.260 454 L C -0.712 175.937 176.870 -0.368 0.000 0.998 454 L CA -0.628 53.837 54.840 -0.624 0.000 0.883 454 L CB 0.709 42.340 42.059 -0.714 0.000 1.196 454 L HN -0.034 nan 8.230 nan 0.000 0.443 455 N N 5.245 123.824 118.700 -0.202 0.000 2.452 455 N HA 0.127 4.864 4.740 -0.005 0.000 0.266 455 N C -1.604 173.893 175.510 -0.021 0.000 1.175 455 N CA -1.242 51.763 53.050 -0.076 0.000 0.945 455 N CB 1.603 40.064 38.487 -0.043 0.000 1.063 455 N HN 0.305 nan 8.380 nan 0.000 0.472 456 P HA -0.082 nan 4.420 nan 0.000 0.222 456 P C -0.198 177.149 177.300 0.079 0.000 1.147 456 P CA 1.277 64.430 63.100 0.088 0.000 0.790 456 P CB 0.369 32.169 31.700 0.166 0.000 0.780 457 E N 0.085 120.327 120.200 0.069 0.000 2.496 457 E HA 0.149 4.496 4.350 -0.005 0.000 0.200 457 E C 0.305 176.936 176.600 0.051 0.000 1.016 457 E CA -0.201 56.239 56.400 0.067 0.000 0.962 457 E CB 0.166 29.913 29.700 0.077 0.000 1.071 457 E HN 0.402 nan 8.360 nan 0.000 0.457 458 R N -1.653 118.872 120.500 0.042 0.000 2.579 458 R HA 0.323 4.660 4.340 -0.005 0.000 0.260 458 R C -1.279 175.049 176.300 0.048 0.000 1.103 458 R CA -0.765 55.359 56.100 0.041 0.000 0.942 458 R CB 0.726 31.044 30.300 0.029 0.000 1.251 458 R HN -0.176 nan 8.270 nan 0.000 0.450 459 V N 2.220 122.175 119.914 0.068 0.000 2.427 459 V HA 0.515 4.631 4.120 -0.005 0.000 0.268 459 V C -0.159 176.012 176.094 0.129 0.000 1.046 459 V CA 0.024 62.387 62.300 0.105 0.000 0.970 459 V CB 0.894 32.782 31.823 0.107 0.000 1.001 459 V HN 0.797 nan 8.190 nan 0.000 0.476 460 S N 5.473 121.249 115.700 0.127 0.000 2.592 460 S HA 0.454 4.921 4.470 -0.005 0.000 0.275 460 S C -0.711 173.878 174.600 -0.018 0.000 1.169 460 S CA -0.833 57.416 58.200 0.082 0.000 0.958 460 S CB 1.233 64.434 63.200 0.002 0.000 1.095 460 S HN 0.747 nan 8.310 nan 0.000 0.471 461 M N 7.124 126.736 119.600 0.019 0.000 2.504 461 M HA 0.216 4.693 4.480 -0.005 0.000 0.378 461 M C -2.143 173.931 176.300 -0.376 0.000 1.706 461 M CA -0.621 54.542 55.300 -0.228 0.000 1.036 461 M CB 0.162 32.726 32.600 -0.059 0.000 2.129 461 M HN 0.378 nan 8.290 nan 0.000 0.474 462 P HA 0.201 nan 4.420 nan 0.000 0.281 462 P C -1.320 175.856 177.300 -0.208 0.000 1.252 462 P CA -0.187 62.599 63.100 -0.523 0.000 0.778 462 P CB 0.709 31.877 31.700 -0.886 0.000 0.895 463 D N 2.853 123.203 120.400 -0.083 0.000 2.249 463 D HA 0.352 4.989 4.640 -0.005 0.000 0.246 463 D C 0.088 176.483 176.300 0.159 0.000 1.114 463 D CA -0.047 53.991 54.000 0.064 0.000 0.854 463 D CB 0.777 41.598 40.800 0.035 0.000 1.132 463 D HN 0.274 nan 8.370 nan 0.000 0.461 464 I N 3.286 123.972 120.570 0.194 0.000 2.371 464 I HA 0.142 4.309 4.170 -0.005 0.000 0.282 464 I C -0.275 175.899 176.117 0.094 0.000 1.031 464 I CA -0.762 60.593 61.300 0.092 0.000 1.180 464 I CB 0.905 38.845 38.000 -0.100 0.000 1.336 464 I HN 0.039 nan 8.210 nan 0.000 0.467 465 D N 4.599 125.039 120.400 0.067 0.000 2.253 465 D HA 0.567 5.204 4.640 -0.005 0.000 0.249 465 D C -0.132 176.163 176.300 -0.008 0.000 1.049 465 D CA -0.091 53.953 54.000 0.075 0.000 0.929 465 D CB 1.757 42.603 40.800 0.076 0.000 1.176 465 D HN 0.379 nan 8.370 nan 0.000 0.437 466 T N -0.801 113.729 114.554 -0.041 0.000 2.916 466 T HA 0.384 4.731 4.350 -0.005 0.000 0.305 466 T C -0.708 173.821 174.700 -0.284 0.000 1.119 466 T CA -1.039 60.921 62.100 -0.233 0.000 1.008 466 T CB 2.031 70.651 68.868 -0.413 0.000 1.129 466 T HN 0.051 nan 8.240 nan 0.000 0.480 467 D N 0.517 120.683 120.400 -0.389 0.000 2.294 467 D HA 0.684 5.321 4.640 -0.005 0.000 0.250 467 D C -0.814 175.101 176.300 -0.643 0.000 1.058 467 D CA -0.035 53.789 54.000 -0.293 0.000 0.950 467 D CB 1.050 41.719 40.800 -0.219 0.000 1.158 467 D HN 0.404 nan 8.370 nan 0.000 0.453 468 F N -0.520 119.439 119.950 0.015 0.000 2.619 468 F HA 0.112 4.636 4.527 -0.005 0.000 0.308 468 F C 0.457 176.276 175.800 0.032 0.000 1.097 468 F CA -1.029 56.992 58.000 0.035 0.000 0.953 468 F CB 1.700 40.758 39.000 0.096 0.000 1.287 468 F HN 0.024 nan 8.300 nan 0.000 0.446 469 S N 2.262 118.104 115.700 0.236 0.000 2.737 469 S HA -0.079 4.388 4.470 -0.005 0.000 0.315 469 S C 1.196 175.904 174.600 0.179 0.000 1.236 469 S CA 0.161 58.454 58.200 0.155 0.000 1.093 469 S CB -0.082 63.200 63.200 0.137 0.000 0.832 469 S HN 0.763 nan 8.310 nan 0.000 0.507 470 D N 5.416 125.900 120.400 0.140 0.000 2.144 470 D HA -0.215 4.422 4.640 -0.005 0.000 0.199 470 D C 1.774 178.146 176.300 0.119 0.000 0.984 470 D CA 0.888 54.970 54.000 0.136 0.000 0.834 470 D CB -0.219 40.649 40.800 0.114 0.000 0.955 470 D HN 0.611 nan 8.370 nan 0.000 0.465 471 R N 0.502 121.069 120.500 0.112 0.000 2.103 471 R HA -0.123 4.214 4.340 -0.005 0.000 0.242 471 R C 1.700 178.062 176.300 0.104 0.000 1.142 471 R CA 1.650 57.813 56.100 0.104 0.000 0.960 471 R CB 0.118 30.479 30.300 0.102 0.000 0.858 471 R HN 0.173 nan 8.270 nan 0.000 0.439 472 E N -0.706 119.564 120.200 0.116 0.000 2.481 472 E HA -0.042 4.305 4.350 -0.005 0.000 0.198 472 E C 1.395 178.058 176.600 0.105 0.000 1.027 472 E CA -0.089 56.381 56.400 0.117 0.000 0.900 472 E CB 0.243 30.019 29.700 0.126 0.000 0.993 472 E HN 0.321 nan 8.360 nan 0.000 0.482 473 R N 1.730 122.292 120.500 0.102 0.000 2.094 473 R HA -0.192 4.145 4.340 -0.005 0.000 0.239 473 R C 1.102 177.399 176.300 -0.005 0.000 1.137 473 R CA 2.051 58.174 56.100 0.038 0.000 0.943 473 R CB -0.043 30.329 30.300 0.121 0.000 0.850 473 R HN -0.033 nan 8.270 nan 0.000 0.433 474 D N 0.088 120.506 120.400 0.030 0.000 2.158 474 D HA -0.187 4.450 4.640 -0.005 0.000 0.197 474 D C 2.036 178.346 176.300 0.017 0.000 0.995 474 D CA 1.136 55.141 54.000 0.008 0.000 0.846 474 D CB -0.309 40.502 40.800 0.019 0.000 0.941 474 D HN 0.341 nan 8.370 nan 0.000 0.456 475 R N 0.306 120.850 120.500 0.074 0.000 2.105 475 R HA -0.093 4.244 4.340 -0.005 0.000 0.239 475 R C 2.336 178.732 176.300 0.161 0.000 1.135 475 R CA 0.620 56.808 56.100 0.147 0.000 0.967 475 R CB -0.129 30.312 30.300 0.235 0.000 0.861 475 R HN 0.105 nan 8.270 nan 0.000 0.442 476 V N 1.025 121.015 119.914 0.126 0.000 2.270 476 V HA -0.254 3.862 4.120 -0.005 0.000 0.245 476 V C 2.196 178.300 176.094 0.017 0.000 1.043 476 V CA 1.783 64.146 62.300 0.106 0.000 1.014 476 V CB -0.421 31.348 31.823 -0.090 0.000 0.645 476 V HN 0.235 nan 8.190 nan 0.000 0.447 477 I N 0.026 120.543 120.570 -0.088 0.000 2.143 477 I HA -0.372 3.795 4.170 -0.005 0.000 0.245 477 I C 2.680 178.692 176.117 -0.175 0.000 1.068 477 I CA 2.141 63.291 61.300 -0.250 0.000 1.326 477 I CB -0.372 37.470 38.000 -0.264 0.000 1.028 477 I HN 0.353 nan 8.210 nan 0.000 0.412 478 Q N -0.190 119.548 119.800 -0.103 0.000 2.124 478 Q HA -0.267 4.069 4.340 -0.005 0.000 0.202 478 Q C 2.084 177.980 176.000 -0.174 0.000 0.977 478 Q CA 1.778 57.520 55.803 -0.101 0.000 0.850 478 Q CB -0.554 28.166 28.738 -0.029 0.000 0.901 478 Q HN 0.608 nan 8.270 nan 0.000 0.429 479 Y N -0.380 119.701 120.300 -0.365 0.000 2.097 479 Y HA -0.246 4.301 4.550 -0.005 0.000 0.282 479 Y C 1.915 177.545 175.900 -0.451 0.000 1.152 479 Y CA 2.026 59.748 58.100 -0.630 0.000 1.136 479 Y CB -0.534 37.179 38.460 -1.245 0.000 0.975 479 Y HN 0.001 nan 8.280 nan 0.000 0.498 480 V N 1.367 121.102 119.914 -0.298 0.000 2.233 480 V HA -0.371 3.746 4.120 -0.005 0.000 0.247 480 V C 2.540 178.473 176.094 -0.269 0.000 1.050 480 V CA 2.334 64.489 62.300 -0.243 0.000 1.010 480 V CB -0.797 30.963 31.823 -0.105 0.000 0.637 480 V HN 0.379 nan 8.190 nan 0.000 0.444 481 R N 0.017 120.385 120.500 -0.221 0.000 2.136 481 R HA -0.275 4.062 4.340 -0.005 0.000 0.242 481 R C 2.284 178.461 176.300 -0.205 0.000 1.131 481 R CA 2.435 58.431 56.100 -0.174 0.000 0.937 481 R CB -0.590 29.622 30.300 -0.146 0.000 0.863 481 R HN 0.670 nan 8.270 nan 0.000 0.435 482 E N -0.393 119.643 120.200 -0.274 0.000 2.106 482 E HA -0.195 4.152 4.350 -0.005 0.000 0.192 482 E C 2.109 178.478 176.600 -0.384 0.000 0.984 482 E CA 0.894 57.127 56.400 -0.279 0.000 0.806 482 E CB -0.103 29.439 29.700 -0.263 0.000 0.750 482 E HN 0.137 nan 8.360 nan 0.000 0.458 483 R N 0.212 120.333 120.500 -0.632 0.000 2.090 483 R HA -0.099 4.238 4.340 -0.005 0.000 0.228 483 R C 1.245 177.097 176.300 -0.747 0.000 1.110 483 R CA 1.457 57.041 56.100 -0.860 0.000 0.973 483 R CB -0.155 29.273 30.300 -1.453 0.000 0.869 483 R HN 0.248 nan 8.270 nan 0.000 0.440 484 Y N -1.340 118.807 120.300 -0.255 0.000 2.458 484 Y HA 0.420 4.967 4.550 -0.005 0.000 0.254 484 Y C 0.439 176.263 175.900 -0.126 0.000 1.120 484 Y CA 0.067 58.067 58.100 -0.166 0.000 1.282 484 Y CB 1.400 39.787 38.460 -0.122 0.000 1.109 484 Y HN 0.269 nan 8.280 nan 0.000 0.526 485 G N 0.703 109.481 108.800 -0.036 0.000 2.653 485 G HA2 -0.133 3.824 3.960 -0.005 0.000 0.656 485 G HA3 -0.133 3.824 3.960 -0.005 0.000 0.656 485 G C -0.421 174.452 174.900 -0.045 0.000 1.419 485 G CA -0.732 44.345 45.100 -0.037 0.000 0.862 485 G HN -0.006 nan 8.290 nan 0.000 0.639 486 E N 0.401 120.570 120.200 -0.053 0.000 2.338 486 E HA -0.038 4.309 4.350 -0.005 0.000 0.197 486 E C 1.922 178.499 176.600 -0.038 0.000 1.007 486 E CA 1.846 58.216 56.400 -0.051 0.000 0.849 486 E CB 0.246 29.919 29.700 -0.044 0.000 0.774 486 E HN 0.603 nan 8.360 nan 0.000 0.506 487 D N -1.393 118.990 120.400 -0.028 0.000 2.369 487 D HA 0.018 4.655 4.640 -0.005 0.000 0.211 487 D C 0.809 177.097 176.300 -0.021 0.000 1.077 487 D CA 0.122 54.108 54.000 -0.023 0.000 0.842 487 D CB 0.100 40.890 40.800 -0.016 0.000 0.947 487 D HN 0.027 nan 8.370 nan 0.000 0.509 488 K N -0.279 120.110 120.400 -0.018 0.000 2.402 488 K HA 0.257 4.573 4.320 -0.005 0.000 0.204 488 K C -0.529 176.058 176.600 -0.023 0.000 1.056 488 K CA -0.027 56.254 56.287 -0.011 0.000 1.069 488 K CB 2.258 34.764 32.500 0.009 0.000 0.888 488 K HN -0.084 nan 8.250 nan 0.000 0.546 489 V N 1.297 121.188 119.914 -0.038 0.000 2.483 489 V HA 0.722 4.839 4.120 -0.005 0.000 0.297 489 V C -0.925 175.120 176.094 -0.082 0.000 1.027 489 V CA -0.894 61.368 62.300 -0.063 0.000 0.855 489 V CB 1.484 33.266 31.823 -0.067 0.000 0.995 489 V HN 0.162 nan 8.190 nan 0.000 0.424 490 A N 4.207 126.971 122.820 -0.093 0.000 2.594 490 A HA 0.819 5.136 4.320 -0.005 0.000 0.291 490 A C -1.117 176.402 177.584 -0.109 0.000 1.105 490 A CA -0.762 51.218 52.037 -0.094 0.000 0.694 490 A CB 1.813 20.769 19.000 -0.074 0.000 1.291 490 A HN 0.687 nan 8.150 nan 0.000 0.410 491 Q N 0.346 120.085 119.800 -0.102 0.000 2.230 491 Q HA 0.557 4.894 4.340 -0.005 0.000 0.248 491 Q C -0.708 175.252 176.000 -0.067 0.000 0.915 491 Q CA -0.288 55.462 55.803 -0.089 0.000 0.900 491 Q CB 1.612 30.301 28.738 -0.082 0.000 1.229 491 Q HN 0.636 nan 8.270 nan 0.000 0.439 492 I N 0.895 121.438 120.570 -0.045 0.000 2.638 492 I HA 0.195 4.362 4.170 -0.005 0.000 0.286 492 I C 0.907 176.964 176.117 -0.099 0.000 1.088 492 I CA -0.148 61.120 61.300 -0.052 0.000 1.397 492 I CB 0.806 38.781 38.000 -0.042 0.000 1.414 492 I HN 0.613 nan 8.210 nan 0.000 0.566 493 G N 3.160 111.862 108.800 -0.164 0.000 2.572 493 G HA2 0.555 4.512 3.960 -0.005 0.000 0.261 493 G HA3 0.555 4.512 3.960 -0.005 0.000 0.261 493 G C -0.696 173.896 174.900 -0.514 0.000 1.197 493 G CA -0.151 44.719 45.100 -0.383 0.000 0.870 493 G HN 0.562 nan 8.290 nan 0.000 0.548 494 T N 0.045 114.136 114.554 -0.772 0.000 2.952 494 T HA 0.485 4.832 4.350 -0.005 0.000 0.305 494 T C -1.281 172.914 174.700 -0.843 0.000 1.064 494 T CA -0.186 61.563 62.100 -0.585 0.000 1.008 494 T CB 1.257 70.036 68.868 -0.150 0.000 1.078 494 T HN 0.332 nan 8.240 nan 0.000 0.459 495 F N 1.291 121.247 119.950 0.010 0.000 2.500 495 F HA 0.539 5.062 4.527 -0.006 0.000 0.349 495 F C 1.078 176.897 175.800 0.032 0.000 1.127 495 F CA -1.017 56.985 58.000 0.005 0.000 0.998 495 F CB 1.316 40.324 39.000 0.014 0.000 1.237 495 F HN 0.763 nan 8.300 nan 0.000 0.439 496 G N 1.353 110.252 108.800 0.165 0.000 2.559 496 G HA2 0.314 4.271 3.960 -0.005 0.000 0.235 496 G HA3 0.314 4.271 3.960 -0.005 0.000 0.235 496 G C -0.288 174.676 174.900 0.106 0.000 1.266 496 G CA -0.394 44.777 45.100 0.117 0.000 0.847 496 G HN 0.540 nan 8.290 nan 0.000 0.583 497 S N 0.686 116.434 115.700 0.080 0.000 2.508 497 S HA 0.287 4.754 4.470 -0.005 0.000 0.284 497 S C 0.311 174.935 174.600 0.041 0.000 1.192 497 S CA -0.655 57.577 58.200 0.054 0.000 1.070 497 S CB 1.501 64.734 63.200 0.054 0.000 1.004 497 S HN 0.538 nan 8.310 nan 0.000 0.493 498 L N 3.026 124.263 121.223 0.023 0.000 2.499 498 L HA 0.228 4.565 4.340 -0.005 0.000 0.273 498 L C 0.387 177.269 176.870 0.021 0.000 1.195 498 L CA -0.263 54.589 54.840 0.019 0.000 0.882 498 L CB 0.323 42.384 42.059 0.004 0.000 1.133 498 L HN 0.799 nan 8.230 nan 0.000 0.483 499 A N 3.748 126.581 122.820 0.023 0.000 2.309 499 A HA 0.332 4.649 4.320 -0.005 0.000 0.298 499 A C 1.141 178.733 177.584 0.014 0.000 1.165 499 A CA -0.307 51.743 52.037 0.022 0.000 0.821 499 A CB 1.223 20.238 19.000 0.025 0.000 1.102 499 A HN 0.915 nan 8.150 nan 0.000 0.500 500 S N 1.382 117.089 115.700 0.013 0.000 2.372 500 S HA -0.207 4.259 4.470 -0.005 0.000 0.227 500 S C 2.035 176.636 174.600 0.002 0.000 1.044 500 S CA 2.058 60.261 58.200 0.006 0.000 1.050 500 S CB -0.309 62.895 63.200 0.006 0.000 0.901 500 S HN 0.780 nan 8.310 nan 0.000 0.447 501 K N 0.790 121.192 120.400 0.004 0.000 2.000 501 K HA -0.188 4.129 4.320 -0.005 0.000 0.218 501 K C 2.407 179.008 176.600 0.002 0.000 1.053 501 K CA 1.531 57.818 56.287 0.000 0.000 0.946 501 K CB -0.452 32.050 32.500 0.002 0.000 0.723 501 K HN 0.354 nan 8.250 nan 0.000 0.446 502 A N 0.941 123.766 122.820 0.009 0.000 1.902 502 A HA -0.145 4.172 4.320 -0.005 0.000 0.217 502 A C 2.291 179.883 177.584 0.012 0.000 1.181 502 A CA 1.973 54.018 52.037 0.014 0.000 0.623 502 A CB -0.778 18.235 19.000 0.022 0.000 0.818 502 A HN 0.460 nan 8.150 nan 0.000 0.443 503 A N -0.172 122.653 122.820 0.009 0.000 1.884 503 A HA -0.205 4.111 4.320 -0.005 0.000 0.219 503 A C 2.219 179.806 177.584 0.006 0.000 1.197 503 A CA 1.740 53.780 52.037 0.006 0.000 0.637 503 A CB -0.770 18.230 19.000 0.000 0.000 0.827 503 A HN 0.550 nan 8.150 nan 0.000 0.450 504 L N -0.924 120.298 121.223 -0.001 0.000 2.131 504 L HA -0.225 4.112 4.340 -0.005 0.000 0.210 504 L C 2.524 179.394 176.870 -0.000 0.000 1.092 504 L CA 1.929 56.765 54.840 -0.007 0.000 0.759 504 L CB -0.374 41.674 42.059 -0.018 0.000 0.903 504 L HN 0.478 nan 8.230 nan 0.000 0.435 505 K N -0.247 120.154 120.400 0.002 0.000 1.965 505 K HA -0.210 4.107 4.320 -0.005 0.000 0.214 505 K C 1.686 178.305 176.600 0.031 0.000 1.046 505 K CA 1.823 58.115 56.287 0.009 0.000 0.944 505 K CB -0.317 32.192 32.500 0.014 0.000 0.726 505 K HN 0.210 nan 8.250 nan 0.000 0.441 506 D N 0.592 121.011 120.400 0.032 0.000 2.190 506 D HA -0.141 4.496 4.640 -0.005 0.000 0.200 506 D C 1.887 178.213 176.300 0.045 0.000 0.992 506 D CA 0.829 54.850 54.000 0.036 0.000 0.854 506 D CB -0.191 40.624 40.800 0.025 0.000 0.936 506 D HN -0.045 nan 8.370 nan 0.000 0.462 507 V N 0.840 120.788 119.914 0.058 0.000 2.358 507 V HA -0.192 3.924 4.120 -0.005 0.000 0.246 507 V C 2.457 178.668 176.094 0.195 0.000 1.047 507 V CA 1.689 64.060 62.300 0.118 0.000 1.035 507 V CB -0.675 31.211 31.823 0.104 0.000 0.658 507 V HN 0.200 nan 8.190 nan 0.000 0.452 508 A N -0.230 122.662 122.820 0.119 0.000 1.933 508 A HA -0.200 4.116 4.320 -0.005 0.000 0.218 508 A C 2.354 180.007 177.584 0.115 0.000 1.175 508 A CA 1.517 53.624 52.037 0.117 0.000 0.628 508 A CB -0.478 18.547 19.000 0.042 0.000 0.814 508 A HN 0.483 nan 8.150 nan 0.000 0.444 509 R N -0.551 119.999 120.500 0.083 0.000 2.096 509 R HA -0.150 4.187 4.340 -0.005 0.000 0.240 509 R C 2.047 178.372 176.300 0.042 0.000 1.139 509 R CA 1.757 57.896 56.100 0.065 0.000 0.952 509 R CB -0.797 29.535 30.300 0.053 0.000 0.854 509 R HN 0.415 nan 8.270 nan 0.000 0.436 510 V N -0.135 119.793 119.914 0.022 0.000 2.332 510 V HA -0.249 3.868 4.120 -0.005 0.000 0.248 510 V C 1.516 177.529 176.094 -0.135 0.000 1.055 510 V CA 1.621 63.871 62.300 -0.083 0.000 1.038 510 V CB -0.556 31.172 31.823 -0.158 0.000 0.651 510 V HN 0.313 nan 8.190 nan 0.000 0.450 511 Y N 0.796 121.086 120.300 -0.017 0.000 2.488 511 Y HA 0.370 4.917 4.550 -0.005 0.000 0.319 511 Y C 1.656 177.551 175.900 -0.009 0.000 1.212 511 Y CA 0.426 58.516 58.100 -0.017 0.000 1.273 511 Y CB -0.512 37.935 38.460 -0.021 0.000 1.074 511 Y HN 0.372 nan 8.280 nan 0.000 0.503 512 G N 1.662 110.507 108.800 0.076 0.000 2.370 512 G HA2 -0.286 3.671 3.960 -0.005 0.000 0.295 512 G HA3 -0.286 3.671 3.960 -0.005 0.000 0.295 512 G C -0.406 174.536 174.900 0.069 0.000 1.045 512 G CA -0.011 45.122 45.100 0.055 0.000 1.199 512 G HN 0.390 nan 8.290 nan 0.000 0.513 513 I N 1.583 122.196 120.570 0.072 0.000 2.509 513 I HA 0.335 4.502 4.170 -0.005 0.000 0.293 513 I C -1.690 174.463 176.117 0.059 0.000 1.020 513 I CA -2.531 58.805 61.300 0.061 0.000 1.088 513 I CB 2.265 40.301 38.000 0.060 0.000 1.267 513 I HN 0.052 nan 8.210 nan 0.000 0.430 514 P HA -0.052 nan 4.420 nan 0.000 0.262 514 P C 0.685 178.032 177.300 0.079 0.000 1.199 514 P CA 0.294 63.432 63.100 0.063 0.000 0.763 514 P CB 0.372 32.098 31.700 0.043 0.000 0.790 515 H N 4.102 123.179 119.070 0.012 0.000 2.400 515 H HA -0.209 4.344 4.556 -0.004 0.000 0.295 515 H C 1.210 176.543 175.328 0.008 0.000 1.118 515 H CA 2.213 58.267 56.048 0.010 0.000 1.256 515 H CB 0.387 30.155 29.762 0.009 0.000 1.365 515 H HN 0.400 nan 8.280 nan 0.000 0.502 516 K N 0.460 120.867 120.400 0.012 0.000 1.973 516 K HA -0.112 4.205 4.320 -0.005 0.000 0.212 516 K C 2.459 179.010 176.600 -0.082 0.000 1.047 516 K CA 1.573 57.837 56.287 -0.039 0.000 0.937 516 K CB 0.002 32.520 32.500 0.030 0.000 0.721 516 K HN 0.272 nan 8.250 nan 0.000 0.440 517 K N 0.553 120.926 120.400 -0.044 0.000 2.280 517 K HA -0.104 4.213 4.320 -0.005 0.000 0.202 517 K C 2.164 178.724 176.600 -0.065 0.000 1.047 517 K CA 0.971 57.232 56.287 -0.043 0.000 0.942 517 K CB -0.144 32.343 32.500 -0.023 0.000 0.739 517 K HN 0.172 nan 8.250 nan 0.000 0.457 518 A N 2.148 124.913 122.820 -0.091 0.000 1.851 518 A HA -0.204 4.112 4.320 -0.005 0.000 0.216 518 A C 2.042 179.544 177.584 -0.136 0.000 1.195 518 A CA 1.430 53.401 52.037 -0.110 0.000 0.622 518 A CB -0.347 18.570 19.000 -0.137 0.000 0.831 518 A HN 0.181 nan 8.150 nan 0.000 0.444 519 E N -0.352 119.722 120.200 -0.211 0.000 2.268 519 E HA -0.143 4.204 4.350 -0.005 0.000 0.195 519 E C 1.759 178.303 176.600 -0.093 0.000 0.995 519 E CA 0.770 57.071 56.400 -0.165 0.000 0.836 519 E CB -0.184 29.392 29.700 -0.206 0.000 0.763 519 E HN 0.720 nan 8.360 nan 0.000 0.491 520 E N -0.060 120.093 120.200 -0.079 0.000 2.347 520 E HA -0.066 4.281 4.350 -0.005 0.000 0.196 520 E C 1.875 178.448 176.600 -0.045 0.000 1.008 520 E CA 0.182 56.552 56.400 -0.050 0.000 0.852 520 E CB 0.198 29.874 29.700 -0.039 0.000 0.783 520 E HN 0.213 nan 8.360 nan 0.000 0.505 521 L N -0.370 120.822 121.223 -0.052 0.000 2.249 521 L HA 0.057 4.394 4.340 -0.005 0.000 0.207 521 L C 2.394 179.239 176.870 -0.041 0.000 1.090 521 L CA 0.545 55.358 54.840 -0.044 0.000 0.802 521 L CB -0.091 41.940 42.059 -0.047 0.000 0.947 521 L HN 0.041 nan 8.230 nan 0.000 0.453 522 A N 0.152 122.944 122.820 -0.047 0.000 1.930 522 A HA -0.168 4.148 4.320 -0.005 0.000 0.217 522 A C 2.166 179.732 177.584 -0.029 0.000 1.175 522 A CA 1.374 53.388 52.037 -0.038 0.000 0.627 522 A CB -0.259 18.715 19.000 -0.044 0.000 0.815 522 A HN 0.276 nan 8.150 nan 0.000 0.443 523 K N -0.256 120.125 120.400 -0.031 0.000 2.525 523 K HA 0.169 4.486 4.320 -0.005 0.000 0.192 523 K C 1.380 177.967 176.600 -0.021 0.000 1.029 523 K CA 0.137 56.410 56.287 -0.025 0.000 1.029 523 K CB -0.197 32.288 32.500 -0.025 0.000 0.814 523 K HN 0.492 nan 8.250 nan 0.000 0.503 524 L N 1.022 122.231 121.223 -0.022 0.000 1.988 524 L HA -0.051 4.286 4.340 -0.005 0.000 0.207 524 L C 1.062 177.924 176.870 -0.015 0.000 1.071 524 L CA 0.682 55.511 54.840 -0.019 0.000 0.744 524 L CB -0.570 41.476 42.059 -0.021 0.000 0.893 524 L HN 0.090 nan 8.230 nan 0.000 0.433 525 I N 0.946 121.508 120.570 -0.014 0.000 2.906 525 I HA -0.047 4.120 4.170 -0.005 0.000 0.302 525 I C -1.966 174.147 176.117 -0.006 0.000 1.220 525 I CA -1.343 59.952 61.300 -0.009 0.000 1.441 525 I CB -0.651 37.344 38.000 -0.009 0.000 1.336 525 I HN -0.032 nan 8.210 nan 0.000 0.565 526 P HA 0.235 nan 4.420 nan 0.000 0.275 526 P C -0.765 176.540 177.300 0.007 0.000 1.266 526 P CA -0.338 62.764 63.100 0.003 0.000 0.793 526 P CB 0.659 32.364 31.700 0.009 0.000 1.074 527 V N 0.851 120.770 119.914 0.009 0.000 2.454 527 V HA 0.113 4.230 4.120 -0.005 0.000 0.267 527 V C 1.216 177.328 176.094 0.029 0.000 0.993 527 V CA -0.249 62.057 62.300 0.010 0.000 0.836 527 V CB 0.351 32.166 31.823 -0.012 0.000 1.055 527 V HN 0.635 nan 8.190 nan 0.000 0.452 528 Q N 2.583 122.422 119.800 0.064 0.000 2.096 528 Q HA 0.115 4.451 4.340 -0.005 0.000 0.197 528 Q C 0.085 176.227 176.000 0.235 0.000 0.964 528 Q CA 1.388 57.259 55.803 0.113 0.000 0.838 528 Q CB 0.518 29.314 28.738 0.097 0.000 0.906 528 Q HN 0.459 nan 8.270 nan 0.000 0.444 529 F N -0.425 119.525 119.950 0.000 0.000 2.839 529 F HA 0.451 4.975 4.527 -0.005 0.000 0.344 529 F C 0.676 176.480 175.800 0.006 0.000 1.242 529 F CA 0.112 58.114 58.000 0.002 0.000 1.091 529 F CB 1.583 40.586 39.000 0.004 0.000 1.374 529 F HN 0.269 nan 8.300 nan 0.000 0.553 530 G N 4.458 113.106 108.800 -0.253 0.000 4.843 530 G HA2 -0.341 3.616 3.960 -0.005 0.000 0.229 530 G HA3 -0.341 3.616 3.960 -0.005 0.000 0.229 530 G C 0.399 175.275 174.900 -0.040 0.000 1.384 530 G CA 0.911 45.920 45.100 -0.151 0.000 1.133 530 G HN 0.552 nan 8.290 nan 0.000 0.741 531 K N 2.092 122.507 120.400 0.024 0.000 2.118 531 K HA 0.502 4.819 4.320 -0.005 0.000 0.254 531 K C -2.334 174.288 176.600 0.037 0.000 0.961 531 K CA -1.761 54.546 56.287 0.032 0.000 0.876 531 K CB 1.857 34.387 32.500 0.050 0.000 1.077 531 K HN 0.175 nan 8.250 nan 0.000 0.440 532 P HA -0.040 nan 4.420 nan 0.000 0.267 532 P C -0.828 176.489 177.300 0.029 0.000 1.200 532 P CA 0.223 63.336 63.100 0.022 0.000 0.772 532 P CB 0.516 32.224 31.700 0.014 0.000 0.855 533 K N 3.286 123.701 120.400 0.025 0.000 2.355 533 K HA 0.177 4.494 4.320 -0.005 0.000 0.270 533 K C -2.018 174.592 176.600 0.017 0.000 1.003 533 K CA -1.288 55.014 56.287 0.025 0.000 0.957 533 K CB -0.496 32.017 32.500 0.020 0.000 0.939 533 K HN 0.368 nan 8.250 nan 0.000 0.482 534 P HA -0.074 nan 4.420 nan 0.000 0.266 534 P C 0.239 177.543 177.300 0.006 0.000 1.193 534 P CA 0.253 63.361 63.100 0.012 0.000 0.770 534 P CB 0.442 32.150 31.700 0.014 0.000 0.836 535 L N 1.345 122.569 121.223 0.001 0.000 2.610 535 L HA -0.107 4.229 4.340 -0.005 0.000 0.232 535 L C 2.136 179.003 176.870 -0.006 0.000 1.149 535 L CA 0.742 55.579 54.840 -0.005 0.000 0.872 535 L CB -0.346 41.707 42.059 -0.011 0.000 0.992 535 L HN 0.395 nan 8.230 nan 0.000 0.447 536 Q N 0.511 120.310 119.800 -0.001 0.000 2.049 536 Q HA -0.204 4.133 4.340 -0.005 0.000 0.198 536 Q C 1.861 177.860 176.000 -0.001 0.000 0.971 536 Q CA 1.782 57.584 55.803 -0.001 0.000 0.833 536 Q CB 0.193 28.934 28.738 0.004 0.000 0.896 536 Q HN 0.428 nan 8.270 nan 0.000 0.434 537 E N -0.180 120.020 120.200 0.001 0.000 2.170 537 E HA 0.181 4.528 4.350 -0.005 0.000 0.191 537 E C 0.401 176.999 176.600 -0.003 0.000 0.981 537 E CA 0.495 56.895 56.400 0.000 0.000 0.830 537 E CB -0.115 29.587 29.700 0.003 0.000 0.775 537 E HN 0.393 nan 8.360 nan 0.000 0.470 545 L N 2.645 123.861 121.223 -0.013 0.000 3.084 545 L HA 0.282 4.619 4.340 -0.005 0.000 0.238 545 L C 1.886 178.746 176.870 -0.017 0.000 1.327 545 L CA 0.018 54.850 54.840 -0.014 0.000 1.094 545 L CB -0.117 41.933 42.059 -0.015 0.000 1.477 545 L HN 0.080 nan 8.230 nan 0.000 0.514 546 R N 0.034 120.523 120.500 -0.017 0.000 2.237 546 R HA -0.074 4.263 4.340 -0.005 0.000 0.219 546 R C 1.775 178.062 176.300 -0.021 0.000 1.080 546 R CA 1.110 57.198 56.100 -0.020 0.000 0.995 546 R CB -0.300 29.989 30.300 -0.018 0.000 0.875 546 R HN 0.330 nan 8.270 nan 0.000 0.462 547 A N 1.657 124.466 122.820 -0.018 0.000 2.194 547 A HA -0.215 4.102 4.320 -0.005 0.000 0.220 547 A C 1.941 179.512 177.584 -0.021 0.000 1.162 547 A CA 1.653 53.679 52.037 -0.018 0.000 0.674 547 A CB -0.419 18.572 19.000 -0.015 0.000 0.789 547 A HN 0.521 nan 8.150 nan 0.000 0.470 548 E N -0.427 119.758 120.200 -0.024 0.000 2.268 548 E HA -0.112 4.235 4.350 -0.005 0.000 0.195 548 E C 1.752 178.332 176.600 -0.034 0.000 0.995 548 E CA 1.180 57.563 56.400 -0.027 0.000 0.836 548 E CB -0.364 29.319 29.700 -0.028 0.000 0.763 548 E HN 0.682 nan 8.360 nan 0.000 0.491 549 M N -0.198 119.381 119.600 -0.035 0.000 2.064 549 M HA -0.117 4.360 4.480 -0.005 0.000 0.260 549 M C 1.761 178.039 176.300 -0.038 0.000 1.073 549 M CA 1.692 56.966 55.300 -0.042 0.000 1.124 549 M CB -0.068 32.508 32.600 -0.041 0.000 1.326 549 M HN -0.039 nan 8.290 nan 0.000 0.410 550 E N 0.255 120.437 120.200 -0.030 0.000 2.401 550 E HA -0.139 4.208 4.350 -0.005 0.000 0.199 550 E C 1.676 178.262 176.600 -0.023 0.000 1.023 550 E CA 0.907 57.292 56.400 -0.025 0.000 0.859 550 E CB -0.104 29.584 29.700 -0.020 0.000 0.780 550 E HN 0.378 nan 8.360 nan 0.000 0.523 551 K N 0.010 120.396 120.400 -0.025 0.000 1.991 551 K HA -0.034 4.283 4.320 -0.005 0.000 0.207 551 K C 0.315 176.901 176.600 -0.023 0.000 1.045 551 K CA 0.984 57.259 56.287 -0.021 0.000 0.937 551 K CB 0.102 32.589 32.500 -0.021 0.000 0.720 551 K HN 0.003 nan 8.250 nan 0.000 0.438 552 D N -0.107 120.274 120.400 -0.031 0.000 2.375 552 D HA 0.099 4.736 4.640 -0.005 0.000 0.247 552 D C 0.019 176.293 176.300 -0.045 0.000 1.061 552 D CA -0.125 53.855 54.000 -0.033 0.000 0.834 552 D CB 1.630 42.409 40.800 -0.035 0.000 1.247 552 D HN -0.017 nan 8.370 nan 0.000 0.489 553 E N 1.751 121.928 120.200 -0.039 0.000 2.274 553 E HA -0.100 4.247 4.350 -0.005 0.000 0.194 553 E C 1.503 178.060 176.600 -0.072 0.000 0.996 553 E CA 0.350 56.722 56.400 -0.047 0.000 0.840 553 E CB 0.424 30.107 29.700 -0.029 0.000 0.772 553 E HN 0.297 nan 8.360 nan 0.000 0.491 554 R N 0.610 121.069 120.500 -0.069 0.000 2.082 554 R HA -0.125 4.212 4.340 -0.005 0.000 0.234 554 R C 2.357 178.533 176.300 -0.206 0.000 1.136 554 R CA 1.085 57.120 56.100 -0.108 0.000 0.935 554 R CB -0.652 29.618 30.300 -0.051 0.000 0.842 554 R HN 0.255 nan 8.270 nan 0.000 0.430 555 I N 0.384 120.866 120.570 -0.145 0.000 2.286 555 I HA -0.274 3.893 4.170 -0.005 0.000 0.248 555 I C 2.701 178.721 176.117 -0.162 0.000 1.115 555 I CA 0.984 62.193 61.300 -0.152 0.000 1.392 555 I CB -0.350 37.595 38.000 -0.092 0.000 1.065 555 I HN 0.172 nan 8.210 nan 0.000 0.418 556 R N 0.667 121.089 120.500 -0.130 0.000 2.168 556 R HA -0.290 4.047 4.340 -0.005 0.000 0.242 556 R C 2.385 178.597 176.300 -0.145 0.000 1.123 556 R CA 2.312 58.344 56.100 -0.112 0.000 0.928 556 R CB -0.521 29.728 30.300 -0.086 0.000 0.873 556 R HN 0.501 nan 8.270 nan 0.000 0.434 557 Q N -0.234 119.446 119.800 -0.200 0.000 2.002 557 Q HA -0.167 4.169 4.340 -0.005 0.000 0.204 557 Q C 2.259 178.093 176.000 -0.278 0.000 0.988 557 Q CA 1.946 57.611 55.803 -0.230 0.000 0.843 557 Q CB -0.309 28.262 28.738 -0.278 0.000 0.908 557 Q HN 0.206 nan 8.270 nan 0.000 0.420 558 V N 1.427 121.072 119.914 -0.448 0.000 2.277 558 V HA -0.337 3.780 4.120 -0.005 0.000 0.255 558 V C 2.202 178.201 176.094 -0.159 0.000 1.074 558 V CA 2.065 64.154 62.300 -0.351 0.000 1.058 558 V CB -0.635 30.998 31.823 -0.317 0.000 0.656 558 V HN 0.353 nan 8.190 nan 0.000 0.449 559 I N -0.788 119.701 120.570 -0.136 0.000 2.202 559 I HA -0.208 3.959 4.170 -0.005 0.000 0.242 559 I C 2.528 178.605 176.117 -0.068 0.000 1.091 559 I CA 1.579 62.828 61.300 -0.084 0.000 1.368 559 I CB -0.354 37.602 38.000 -0.074 0.000 1.058 559 I HN 0.362 nan 8.210 nan 0.000 0.410 560 E N 0.354 120.509 120.200 -0.076 0.000 2.017 560 E HA -0.199 4.148 4.350 -0.005 0.000 0.193 560 E C 2.314 178.885 176.600 -0.049 0.000 0.997 560 E CA 1.535 57.900 56.400 -0.058 0.000 0.804 560 E CB -0.164 29.500 29.700 -0.060 0.000 0.757 560 E HN 0.180 nan 8.360 nan 0.000 0.448 561 V N 1.411 121.294 119.914 -0.053 0.000 2.278 561 V HA -0.364 3.753 4.120 -0.005 0.000 0.251 561 V C 2.298 178.379 176.094 -0.021 0.000 1.062 561 V CA 2.075 64.359 62.300 -0.026 0.000 1.038 561 V CB -0.804 31.028 31.823 0.015 0.000 0.646 561 V HN 0.402 nan 8.190 nan 0.000 0.447 562 A N 0.367 123.172 122.820 -0.025 0.000 1.940 562 A HA -0.260 4.057 4.320 -0.005 0.000 0.219 562 A C 2.220 179.793 177.584 -0.018 0.000 1.176 562 A CA 2.403 54.429 52.037 -0.018 0.000 0.631 562 A CB -0.482 18.506 19.000 -0.020 0.000 0.814 562 A HN 0.729 nan 8.150 nan 0.000 0.446 563 M N -2.706 116.880 119.600 -0.022 0.000 2.447 563 M HA 0.201 4.677 4.480 -0.005 0.000 0.264 563 M C 1.826 178.116 176.300 -0.016 0.000 1.095 563 M CA 1.694 56.984 55.300 -0.017 0.000 1.125 563 M CB -0.125 32.464 32.600 -0.018 0.000 1.389 563 M HN 0.143 nan 8.290 nan 0.000 0.459 564 R N 1.289 121.776 120.500 -0.022 0.000 2.236 564 R HA 0.233 4.570 4.340 -0.005 0.000 0.208 564 R C 1.498 177.786 176.300 -0.020 0.000 1.036 564 R CA 0.958 57.044 56.100 -0.022 0.000 1.001 564 R CB -0.177 30.105 30.300 -0.030 0.000 0.896 564 R HN 0.526 nan 8.270 nan 0.000 0.464 565 L N -0.810 120.400 121.223 -0.021 0.000 2.638 565 L HA 0.203 4.539 4.340 -0.005 0.000 0.232 565 L C 1.826 178.684 176.870 -0.019 0.000 1.099 565 L CA 0.080 54.905 54.840 -0.024 0.000 0.883 565 L CB -0.201 41.840 42.059 -0.030 0.000 1.136 565 L HN 0.276 nan 8.230 nan 0.000 0.492 566 E N 1.645 121.838 120.200 -0.012 0.000 2.095 566 E HA -0.278 4.069 4.350 -0.005 0.000 0.212 566 E C 1.891 178.487 176.600 -0.006 0.000 1.044 566 E CA 2.001 58.398 56.400 -0.005 0.000 0.857 566 E CB -0.174 29.526 29.700 -0.001 0.000 0.764 566 E HN 0.446 nan 8.360 nan 0.000 0.462 567 G N 0.292 109.087 108.800 -0.008 0.000 2.848 567 G HA2 0.037 3.994 3.960 -0.005 0.000 0.208 567 G HA3 0.037 3.994 3.960 -0.005 0.000 0.208 567 G C 0.752 175.627 174.900 -0.043 0.000 1.152 567 G CA -0.170 44.923 45.100 -0.011 0.000 0.789 567 G HN 0.078 nan 8.290 nan 0.000 0.531 568 L N -0.016 121.175 121.223 -0.053 0.000 2.416 568 L HA 0.221 4.558 4.340 -0.005 0.000 0.212 568 L C 0.220 177.036 176.870 -0.090 0.000 1.200 568 L CA -0.258 54.527 54.840 -0.092 0.000 0.841 568 L CB 0.295 42.312 42.059 -0.069 0.000 1.299 568 L HN 0.030 nan 8.230 nan 0.000 0.538 569 N N -0.607 118.027 118.700 -0.110 0.000 2.265 569 N HA 0.394 5.130 4.740 -0.005 0.000 0.300 569 N C -0.243 175.255 175.510 -0.020 0.000 1.148 569 N CA -0.758 52.248 53.050 -0.072 0.000 0.772 569 N CB 1.935 40.328 38.487 -0.157 0.000 1.434 569 N HN 0.326 nan 8.380 nan 0.000 0.481 570 R N 0.325 120.850 120.500 0.041 0.000 1.121 570 R HA 0.342 4.679 4.340 -0.005 0.000 0.083 570 R C 0.474 176.815 176.300 0.068 0.000 1.153 570 R CA 0.293 56.443 56.100 0.084 0.000 2.054 570 R CB -0.527 29.846 30.300 0.122 0.000 0.854 570 R HN 0.598 nan 8.270 nan 0.000 0.703 571 H N -1.742 117.410 119.070 0.136 0.000 2.896 571 H HA 0.557 5.110 4.556 -0.005 0.000 0.318 571 H C -0.934 174.503 175.328 0.183 0.000 1.409 571 H CA -0.777 55.372 56.048 0.168 0.000 1.328 571 H CB 1.875 31.718 29.762 0.134 0.000 1.940 571 H HN 0.425 nan 8.280 nan 0.000 0.665 572 A N 1.563 124.577 122.820 0.324 0.000 2.582 572 A HA 0.366 4.683 4.320 -0.005 0.000 0.336 572 A C -0.191 177.375 177.584 -0.029 0.000 1.445 572 A CA -0.367 51.725 52.037 0.093 0.000 0.997 572 A CB -0.173 18.911 19.000 0.140 0.000 1.148 572 A HN 0.447 nan 8.150 nan 0.000 0.514 573 S N 0.645 116.299 115.700 -0.078 0.000 2.601 573 S HA 0.408 4.875 4.470 -0.005 0.000 0.271 573 S C 0.602 175.128 174.600 -0.124 0.000 1.305 573 S CA -0.550 57.610 58.200 -0.067 0.000 1.022 573 S CB 1.207 64.389 63.200 -0.030 0.000 0.940 573 S HN 0.541 nan 8.310 nan 0.000 0.525 574 V N 2.496 122.363 119.914 -0.080 0.000 2.811 574 V HA 0.094 4.210 4.120 -0.005 0.000 0.302 574 V C 0.374 176.455 176.094 -0.021 0.000 1.063 574 V CA -0.294 61.966 62.300 -0.067 0.000 1.088 574 V CB 0.074 31.868 31.823 -0.049 0.000 0.982 574 V HN 0.797 nan 8.190 nan 0.000 0.485 575 H N 2.443 121.456 119.070 -0.094 0.000 2.652 575 H HA 0.427 4.980 4.556 -0.005 0.000 0.349 575 H C 0.987 176.307 175.328 -0.013 0.000 1.099 575 H CA 0.457 56.475 56.048 -0.050 0.000 1.417 575 H CB 1.474 31.212 29.762 -0.041 0.000 1.457 575 H HN 0.767 nan 8.280 nan 0.000 0.568 576 A N 4.344 126.951 122.820 -0.356 0.000 1.873 576 A HA -0.228 4.089 4.320 -0.005 0.000 0.218 576 A C 2.245 179.814 177.584 -0.025 0.000 1.193 576 A CA 2.313 54.246 52.037 -0.174 0.000 0.629 576 A CB -1.165 17.719 19.000 -0.193 0.000 0.826 576 A HN 0.800 nan 8.150 nan 0.000 0.447 577 A N -0.764 122.075 122.820 0.032 0.000 1.956 577 A HA 0.449 4.766 4.320 -0.005 0.000 0.212 577 A C 1.669 179.420 177.584 0.278 0.000 1.188 577 A CA 0.807 52.992 52.037 0.248 0.000 0.675 577 A CB -1.220 17.962 19.000 0.303 0.000 0.845 577 A HN 1.092 nan 8.150 nan 0.000 0.455 578 G N 0.041 109.043 108.800 0.337 0.000 2.150 578 G HA2 0.385 4.342 3.960 -0.005 0.000 0.250 578 G HA3 0.385 4.342 3.960 -0.005 0.000 0.250 578 G C -0.498 174.420 174.900 0.030 0.000 1.179 578 G CA 0.435 45.628 45.100 0.156 0.000 0.934 578 G HN 0.389 nan 8.290 nan 0.000 0.453 579 V N 2.864 122.771 119.914 -0.012 0.000 3.007 579 V HA 0.566 4.683 4.120 -0.005 0.000 0.311 579 V C -0.450 175.600 176.094 -0.073 0.000 1.120 579 V CA -0.669 61.544 62.300 -0.146 0.000 0.980 579 V CB 2.548 34.100 31.823 -0.452 0.000 1.033 579 V HN 0.593 nan 8.190 nan 0.000 0.429 580 V N 4.802 124.661 119.914 -0.092 0.000 2.735 580 V HA 0.589 4.706 4.120 -0.005 0.000 0.310 580 V C -0.799 175.259 176.094 -0.061 0.000 1.061 580 V CA -0.447 61.827 62.300 -0.044 0.000 0.913 580 V CB 2.086 33.894 31.823 -0.025 0.000 1.005 580 V HN 0.681 nan 8.190 nan 0.000 0.428 581 I N 4.202 124.748 120.570 -0.039 0.000 2.437 581 I HA 0.626 4.793 4.170 -0.005 0.000 0.279 581 I C 0.445 176.537 176.117 -0.043 0.000 1.028 581 I CA -0.388 60.875 61.300 -0.062 0.000 1.142 581 I CB 1.605 39.531 38.000 -0.124 0.000 1.266 581 I HN 0.665 nan 8.210 nan 0.000 0.461 582 A N 4.099 126.904 122.820 -0.026 0.000 2.287 582 A HA 0.750 5.067 4.320 -0.005 0.000 0.273 582 A C 1.066 178.645 177.584 -0.007 0.000 1.091 582 A CA 0.297 52.331 52.037 -0.005 0.000 0.817 582 A CB 0.851 19.855 19.000 0.007 0.000 1.069 582 A HN 0.842 nan 8.150 nan 0.000 0.492 583 A N 0.001 122.828 122.820 0.012 0.000 2.014 583 A HA 0.294 4.611 4.320 -0.005 0.000 0.210 583 A C 0.819 178.418 177.584 0.025 0.000 1.188 583 A CA 0.657 52.705 52.037 0.018 0.000 0.731 583 A CB -0.104 18.915 19.000 0.032 0.000 0.858 583 A HN 0.823 nan 8.150 nan 0.000 0.464 584 E N -0.048 120.169 120.200 0.028 0.000 2.232 584 E HA 0.410 4.757 4.350 -0.005 0.000 0.264 584 E C -2.696 173.917 176.600 0.021 0.000 0.973 584 E CA -2.616 53.801 56.400 0.029 0.000 0.849 584 E CB 0.961 30.685 29.700 0.039 0.000 1.198 584 E HN 0.018 nan 8.360 nan 0.000 0.407 585 P HA -0.079 nan 4.420 nan 0.000 0.262 585 P C 0.271 177.571 177.300 -0.000 0.000 1.182 585 P CA 0.505 63.607 63.100 0.004 0.000 0.761 585 P CB 0.466 32.167 31.700 0.002 0.000 0.795 586 L N 2.351 123.567 121.223 -0.012 0.000 1.970 586 L HA -0.228 4.109 4.340 -0.005 0.000 0.212 586 L C 2.177 179.024 176.870 -0.038 0.000 1.071 586 L CA 2.123 56.952 54.840 -0.018 0.000 0.751 586 L CB -1.297 40.742 42.059 -0.033 0.000 0.889 586 L HN 0.429 nan 8.230 nan 0.000 0.432 587 T N -1.152 113.365 114.554 -0.061 0.000 2.795 587 T HA -0.267 4.080 4.350 -0.005 0.000 0.266 587 T C 1.055 175.691 174.700 -0.107 0.000 1.056 587 T CA 1.730 63.769 62.100 -0.101 0.000 1.141 587 T CB -0.435 68.378 68.868 -0.091 0.000 0.840 587 T HN 0.278 nan 8.240 nan 0.000 0.493 588 D N -0.254 120.115 120.400 -0.052 0.000 2.324 588 D HA 0.321 4.958 4.640 -0.005 0.000 0.235 588 D C 1.112 177.431 176.300 0.032 0.000 1.095 588 D CA 0.200 54.185 54.000 -0.024 0.000 0.871 588 D CB 0.342 41.151 40.800 0.014 0.000 0.906 588 D HN 0.310 nan 8.370 nan 0.000 0.522 589 L N -1.940 119.306 121.223 0.038 0.000 3.760 589 L HA 0.119 4.456 4.340 -0.005 0.000 0.405 589 L C -1.077 175.921 176.870 0.214 0.000 0.943 589 L CA 0.194 55.142 54.840 0.181 0.000 1.739 589 L CB 0.981 43.154 42.059 0.191 0.000 2.459 589 L HN -0.274 nan 8.230 nan 0.000 0.586 590 V N 2.132 122.077 119.914 0.051 0.000 2.569 590 V HA 0.511 4.628 4.120 -0.005 0.000 0.301 590 V C -2.408 173.539 176.094 -0.245 0.000 1.044 590 V CA -1.246 61.029 62.300 -0.041 0.000 0.874 590 V CB 2.053 33.922 31.823 0.076 0.000 1.002 590 V HN -0.056 nan 8.190 nan 0.000 0.424 591 P HA 0.559 nan 4.420 nan 0.000 0.276 591 P C -1.076 176.070 177.300 -0.257 0.000 1.261 591 P CA -0.343 62.541 63.100 -0.361 0.000 0.800 591 P CB 1.081 32.519 31.700 -0.437 0.000 1.066 592 L N 0.083 121.196 121.223 -0.183 0.000 2.277 592 L HA 0.678 5.015 4.340 -0.005 0.000 0.254 592 L C 0.131 176.899 176.870 -0.170 0.000 1.044 592 L CA -0.671 54.083 54.840 -0.143 0.000 0.842 592 L CB 1.490 43.489 42.059 -0.099 0.000 1.422 592 L HN 0.264 nan 8.230 nan 0.000 0.422 593 M N 0.324 119.824 119.600 -0.168 0.000 2.520 593 M HA 0.462 4.939 4.480 -0.005 0.000 0.280 593 M C -1.312 174.925 176.300 -0.104 0.000 1.232 593 M CA -0.488 54.672 55.300 -0.234 0.000 0.892 593 M CB 3.227 35.622 32.600 -0.343 0.000 1.728 593 M HN 0.416 nan 8.290 nan 0.000 0.475 594 R N 1.570 122.036 120.500 -0.058 0.000 2.437 594 R HA 0.315 4.652 4.340 -0.005 0.000 0.310 594 R C -1.164 175.100 176.300 -0.061 0.000 0.955 594 R CA -0.608 55.467 56.100 -0.043 0.000 0.851 594 R CB 1.210 31.508 30.300 -0.003 0.000 1.161 594 R HN 0.736 nan 8.270 nan 0.000 0.446 595 D N 2.092 122.460 120.400 -0.054 0.000 2.411 595 D HA -0.074 4.562 4.640 -0.005 0.000 0.251 595 D C 0.669 176.954 176.300 -0.025 0.000 1.201 595 D CA -0.281 53.692 54.000 -0.045 0.000 0.996 595 D CB 0.818 41.593 40.800 -0.041 0.000 1.101 595 D HN 0.494 nan 8.370 nan 0.000 0.504 596 Q N -0.740 119.052 119.800 -0.014 0.000 2.268 596 Q HA -0.222 4.115 4.340 -0.005 0.000 0.210 596 Q C 0.201 176.208 176.000 0.013 0.000 0.988 596 Q CA 1.685 57.492 55.803 0.006 0.000 0.883 596 Q CB 0.035 28.778 28.738 0.009 0.000 0.911 596 Q HN 0.589 nan 8.270 nan 0.000 0.430 597 E N -1.224 118.979 120.200 0.004 0.000 2.830 597 E HA 0.301 4.648 4.350 -0.005 0.000 0.225 597 E C -0.001 176.601 176.600 0.004 0.000 1.109 597 E CA 0.113 56.517 56.400 0.008 0.000 1.392 597 E CB 0.625 30.328 29.700 0.006 0.000 1.349 597 E HN 0.345 nan 8.360 nan 0.000 0.433 598 G N 2.523 111.326 108.800 0.005 0.000 2.395 598 G HA2 -0.366 3.591 3.960 -0.005 0.000 0.300 598 G HA3 -0.366 3.591 3.960 -0.005 0.000 0.300 598 G C -0.178 174.714 174.900 -0.012 0.000 0.998 598 G CA 0.118 45.220 45.100 0.003 0.000 1.046 598 G HN 0.298 nan 8.290 nan 0.000 0.513 599 R N 0.718 121.203 120.500 -0.025 0.000 2.265 599 R HA 0.377 4.713 4.340 -0.005 0.000 0.319 599 R C -2.355 173.915 176.300 -0.049 0.000 1.006 599 R CA -1.975 54.101 56.100 -0.040 0.000 0.880 599 R CB 1.578 31.850 30.300 -0.046 0.000 1.077 599 R HN 0.120 nan 8.270 nan 0.000 0.454 600 P HA 0.019 nan 4.420 nan 0.000 0.269 600 P C -0.560 176.695 177.300 -0.075 0.000 1.252 600 P CA 0.119 63.183 63.100 -0.060 0.000 0.780 600 P CB 0.789 32.454 31.700 -0.059 0.000 0.829 601 V N 4.366 124.230 119.914 -0.084 0.000 2.628 601 V HA 0.334 4.451 4.120 -0.005 0.000 0.306 601 V C 0.614 176.647 176.094 -0.100 0.000 1.045 601 V CA -0.385 61.859 62.300 -0.095 0.000 0.905 601 V CB 2.271 34.031 31.823 -0.106 0.000 0.997 601 V HN 0.403 nan 8.190 nan 0.000 0.436 602 T N 3.184 117.686 114.554 -0.088 0.000 2.889 602 T HA 0.182 4.529 4.350 -0.005 0.000 0.291 602 T C 0.948 175.620 174.700 -0.046 0.000 0.995 602 T CA -0.212 61.842 62.100 -0.077 0.000 1.092 602 T CB 1.267 70.113 68.868 -0.036 0.000 0.954 602 T HN 0.726 nan 8.240 nan 0.000 0.506 603 Q N 1.223 120.992 119.800 -0.052 0.000 2.331 603 Q HA 0.049 4.385 4.340 -0.005 0.000 0.203 603 Q C -0.200 175.997 176.000 0.330 0.000 0.944 603 Q CA 0.738 56.648 55.803 0.178 0.000 0.892 603 Q CB 0.216 29.023 28.738 0.116 0.000 0.983 603 Q HN 0.696 nan 8.270 nan 0.000 0.482 604 Y N 1.912 122.329 120.300 0.196 0.000 2.304 604 Y HA 0.051 4.597 4.550 -0.005 0.000 0.328 604 Y C 0.518 176.499 175.900 0.136 0.000 1.123 604 Y CA -1.511 56.693 58.100 0.173 0.000 1.218 604 Y CB 0.622 39.140 38.460 0.098 0.000 1.207 604 Y HN 0.167 nan 8.280 nan 0.000 0.495 605 D N 0.762 121.370 120.400 0.346 0.000 2.377 605 D HA -0.010 4.627 4.640 -0.005 0.000 0.245 605 D C 1.243 177.585 176.300 0.071 0.000 1.196 605 D CA -0.464 53.633 54.000 0.161 0.000 0.962 605 D CB 0.734 41.672 40.800 0.229 0.000 1.127 605 D HN 0.406 nan 8.370 nan 0.000 0.471 606 M N 0.982 120.569 119.600 -0.021 0.000 3.283 606 M HA -0.262 4.215 4.480 -0.005 0.000 0.272 606 M C 2.130 178.428 176.300 -0.003 0.000 1.023 606 M CA 2.616 57.887 55.300 -0.049 0.000 1.040 606 M CB -1.922 30.611 32.600 -0.111 0.000 1.271 606 M HN 0.814 nan 8.290 nan 0.000 0.549 607 G N -1.219 107.585 108.800 0.008 0.000 2.480 607 G HA2 -0.091 3.865 3.960 -0.005 0.000 0.216 607 G HA3 -0.091 3.865 3.960 -0.005 0.000 0.216 607 G C 1.579 176.485 174.900 0.010 0.000 1.200 607 G CA 2.160 47.267 45.100 0.012 0.000 0.782 607 G HN 0.713 nan 8.290 nan 0.000 0.554 608 A N -0.049 122.782 122.820 0.019 0.000 1.915 608 A HA -0.086 4.231 4.320 -0.005 0.000 0.220 608 A C 2.646 180.216 177.584 -0.022 0.000 1.198 608 A CA 2.345 54.364 52.037 -0.029 0.000 0.647 608 A CB -0.904 18.076 19.000 -0.033 0.000 0.825 608 A HN 0.331 nan 8.150 nan 0.000 0.456 609 V N -0.233 119.716 119.914 0.058 0.000 2.220 609 V HA -0.282 3.835 4.120 -0.005 0.000 0.246 609 V C 2.428 178.541 176.094 0.031 0.000 1.049 609 V CA 2.302 64.650 62.300 0.080 0.000 1.003 609 V CB -0.843 31.032 31.823 0.086 0.000 0.634 609 V HN 0.652 nan 8.190 nan 0.000 0.444 610 E N -0.389 119.822 120.200 0.018 0.000 2.273 610 E HA -0.242 4.105 4.350 -0.005 0.000 0.198 610 E C 2.142 178.739 176.600 -0.005 0.000 1.002 610 E CA 1.206 57.611 56.400 0.009 0.000 0.828 610 E CB -0.189 29.515 29.700 0.005 0.000 0.747 610 E HN 0.610 nan 8.360 nan 0.000 0.491 611 A N 0.436 123.245 122.820 -0.019 0.000 2.016 611 A HA -0.034 4.282 4.320 -0.005 0.000 0.217 611 A C 1.985 179.534 177.584 -0.059 0.000 1.162 611 A CA 0.426 52.440 52.037 -0.039 0.000 0.662 611 A CB -0.170 18.804 19.000 -0.043 0.000 0.812 611 A HN 0.152 nan 8.150 nan 0.000 0.450 612 L N -0.686 120.507 121.223 -0.050 0.000 2.552 612 L HA 0.120 4.456 4.340 -0.005 0.000 0.227 612 L C 1.326 178.171 176.870 -0.041 0.000 1.146 612 L CA 0.517 55.328 54.840 -0.048 0.000 0.858 612 L CB -0.420 41.637 42.059 -0.004 0.000 0.969 612 L HN 0.571 nan 8.230 nan 0.000 0.451 613 G N 1.241 110.021 108.800 -0.033 0.000 2.417 613 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.291 613 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.291 613 G C -0.515 174.400 174.900 0.024 0.000 1.094 613 G CA -0.236 44.848 45.100 -0.026 0.000 1.146 613 G HN 0.186 nan 8.290 nan 0.000 0.519 614 L N -0.036 121.208 121.223 0.034 0.000 2.333 614 L HA 0.702 5.039 4.340 -0.005 0.000 0.269 614 L C 0.582 177.465 176.870 0.022 0.000 1.010 614 L CA -1.571 53.291 54.840 0.036 0.000 0.818 614 L CB 1.728 43.809 42.059 0.038 0.000 1.306 614 L HN 0.297 nan 8.230 nan 0.000 0.430 615 L N 3.559 124.788 121.223 0.009 0.000 2.500 615 L HA 0.253 4.590 4.340 -0.005 0.000 0.272 615 L C -0.228 176.654 176.870 0.020 0.000 1.149 615 L CA 0.635 55.462 54.840 -0.021 0.000 0.897 615 L CB -0.185 41.869 42.059 -0.009 0.000 1.178 615 L HN 0.527 nan 8.230 nan 0.000 0.473 616 K N 6.947 127.364 120.400 0.029 0.000 2.328 616 K HA 0.768 5.085 4.320 -0.005 0.000 0.246 616 K C -1.625 175.063 176.600 0.147 0.000 0.955 616 K CA -0.716 55.612 56.287 0.068 0.000 0.817 616 K CB 1.467 33.992 32.500 0.041 0.000 1.208 616 K HN 0.846 nan 8.250 nan 0.000 0.432 617 M N 1.824 121.544 119.600 0.200 0.000 2.471 617 M HA 0.267 4.744 4.480 -0.005 0.000 0.284 617 M C -1.684 174.841 176.300 0.376 0.000 1.203 617 M CA -1.019 54.477 55.300 0.326 0.000 0.915 617 M CB 1.843 34.751 32.600 0.513 0.000 1.734 617 M HN 0.366 nan 8.290 nan 0.000 0.485 618 D N 1.973 122.592 120.400 0.365 0.000 2.249 618 D HA 0.488 5.125 4.640 -0.005 0.000 0.246 618 D C -1.272 175.366 176.300 0.563 0.000 1.114 618 D CA 0.257 54.493 54.000 0.393 0.000 0.854 618 D CB 0.856 41.814 40.800 0.263 0.000 1.132 618 D HN 0.332 nan 8.370 nan 0.000 0.461 619 F N 2.693 122.787 119.950 0.239 0.000 2.389 619 F HA 0.275 4.799 4.527 -0.005 0.000 0.327 619 F C -0.105 175.876 175.800 0.302 0.000 1.204 619 F CA -0.826 57.389 58.000 0.357 0.000 1.209 619 F CB 0.010 39.122 39.000 0.186 0.000 1.460 619 F HN 0.078 nan 8.300 nan 0.000 0.537 620 L N 1.240 122.702 121.223 0.399 0.000 2.483 620 L HA 0.311 4.648 4.340 -0.005 0.000 0.276 620 L C 1.132 178.177 176.870 0.292 0.000 1.213 620 L CA 0.451 55.458 54.840 0.279 0.000 0.843 620 L CB 0.268 42.457 42.059 0.218 0.000 1.107 620 L HN 0.531 nan 8.230 nan 0.000 0.487 621 G N 3.259 112.183 108.800 0.208 0.000 2.377 621 G HA2 0.552 4.508 3.960 -0.005 0.000 0.299 621 G HA3 0.552 4.508 3.960 -0.005 0.000 0.299 621 G C -1.180 173.805 174.900 0.141 0.000 1.150 621 G CA -0.413 44.796 45.100 0.182 0.000 0.847 621 G HN 0.542 nan 8.290 nan 0.000 0.501 622 L N 2.972 124.262 121.223 0.112 0.000 2.504 622 L HA 0.345 4.682 4.340 -0.005 0.000 0.265 622 L C 1.392 178.278 176.870 0.027 0.000 0.975 622 L CA -1.034 53.841 54.840 0.058 0.000 0.864 622 L CB 1.614 43.664 42.059 -0.015 0.000 1.212 622 L HN 0.549 nan 8.230 nan 0.000 0.416 623 R N 0.859 121.390 120.500 0.052 0.000 2.112 623 R HA -0.169 4.168 4.340 -0.005 0.000 0.242 623 R C 1.456 177.772 176.300 0.027 0.000 1.137 623 R CA 2.238 58.372 56.100 0.057 0.000 0.944 623 R CB -0.604 29.738 30.300 0.070 0.000 0.857 623 R HN 0.684 nan 8.270 nan 0.000 0.435 624 T N 2.032 116.546 114.554 -0.066 0.000 2.680 624 T HA -0.188 4.158 4.350 -0.005 0.000 0.268 624 T C 1.816 176.460 174.700 -0.093 0.000 1.033 624 T CA 1.330 63.339 62.100 -0.153 0.000 1.152 624 T CB -0.216 68.309 68.868 -0.572 0.000 0.859 624 T HN 0.002 nan 8.240 nan 0.000 0.452 625 L N 0.994 122.138 121.223 -0.131 0.000 1.994 625 L HA -0.067 4.269 4.340 -0.005 0.000 0.208 625 L C 2.868 179.739 176.870 0.002 0.000 1.071 625 L CA 1.852 56.638 54.840 -0.092 0.000 0.745 625 L CB -1.664 40.345 42.059 -0.083 0.000 0.892 625 L HN 0.258 nan 8.230 nan 0.000 0.431 626 T N -0.690 113.893 114.554 0.048 0.000 2.759 626 T HA -0.265 4.082 4.350 -0.005 0.000 0.269 626 T C 1.723 176.468 174.700 0.075 0.000 1.042 626 T CA 1.652 63.795 62.100 0.072 0.000 1.140 626 T CB -0.533 68.391 68.868 0.093 0.000 0.864 626 T HN 0.265 nan 8.240 nan 0.000 0.455 627 F N 1.545 121.466 119.950 -0.048 0.000 2.234 627 F HA 0.049 4.572 4.527 -0.006 0.000 0.299 627 F C 1.814 177.580 175.800 -0.057 0.000 1.087 627 F CA 0.926 58.880 58.000 -0.077 0.000 1.340 627 F CB -0.362 38.570 39.000 -0.113 0.000 1.031 627 F HN 0.058 nan 8.300 nan 0.000 0.500 628 L N -0.217 120.974 121.223 -0.054 0.000 2.201 628 L HA -0.163 4.174 4.340 -0.005 0.000 0.212 628 L C 1.914 178.813 176.870 0.048 0.000 1.105 628 L CA 1.034 55.830 54.840 -0.073 0.000 0.775 628 L CB -0.817 41.110 42.059 -0.219 0.000 0.913 628 L HN 0.092 nan 8.230 nan 0.000 0.440 629 D N -0.002 120.402 120.400 0.006 0.000 2.085 629 D HA -0.150 4.487 4.640 -0.005 0.000 0.199 629 D C 2.185 178.454 176.300 -0.051 0.000 0.981 629 D CA 0.979 54.991 54.000 0.020 0.000 0.834 629 D CB -0.076 40.741 40.800 0.028 0.000 0.992 629 D HN 0.175 nan 8.370 nan 0.000 0.457 630 E N 0.711 120.847 120.200 -0.106 0.000 2.153 630 E HA -0.116 4.231 4.350 -0.005 0.000 0.194 630 E C 2.003 178.477 176.600 -0.210 0.000 0.988 630 E CA 0.711 57.032 56.400 -0.131 0.000 0.811 630 E CB -0.140 29.493 29.700 -0.112 0.000 0.746 630 E HN 0.185 nan 8.360 nan 0.000 0.466 631 A N 2.137 124.744 122.820 -0.356 0.000 1.841 631 A HA -0.240 4.076 4.320 -0.005 0.000 0.216 631 A C 2.229 179.712 177.584 -0.168 0.000 1.199 631 A CA 1.943 53.784 52.037 -0.326 0.000 0.621 631 A CB -0.723 18.031 19.000 -0.410 0.000 0.835 631 A HN 0.160 nan 8.150 nan 0.000 0.445 632 R N -0.185 120.252 120.500 -0.106 0.000 2.154 632 R HA -0.217 4.120 4.340 -0.005 0.000 0.248 632 R C 2.372 178.593 176.300 -0.131 0.000 1.155 632 R CA 1.988 58.007 56.100 -0.135 0.000 0.979 632 R CB -0.394 29.820 30.300 -0.142 0.000 0.869 632 R HN 0.621 nan 8.270 nan 0.000 0.452 633 R N 0.441 120.882 120.500 -0.099 0.000 2.073 633 R HA -0.060 4.277 4.340 -0.005 0.000 0.229 633 R C 2.341 178.593 176.300 -0.080 0.000 1.120 633 R CA 1.466 57.521 56.100 -0.075 0.000 0.967 633 R CB -0.249 30.025 30.300 -0.043 0.000 0.862 633 R HN 0.290 nan 8.270 nan 0.000 0.436 634 I N 0.375 120.889 120.570 -0.094 0.000 2.315 634 I HA -0.215 3.952 4.170 -0.005 0.000 0.248 634 I C 2.399 178.447 176.117 -0.115 0.000 1.117 634 I CA 0.662 61.912 61.300 -0.084 0.000 1.404 634 I CB -0.141 37.807 38.000 -0.087 0.000 1.071 634 I HN 0.033 nan 8.210 nan 0.000 0.419 635 V N 1.038 120.848 119.914 -0.174 0.000 2.343 635 V HA -0.298 3.819 4.120 -0.005 0.000 0.247 635 V C 2.600 178.548 176.094 -0.243 0.000 1.051 635 V CA 1.856 63.986 62.300 -0.283 0.000 1.036 635 V CB -0.488 31.092 31.823 -0.405 0.000 0.654 635 V HN 0.383 nan 8.190 nan 0.000 0.451 636 K N -0.545 119.747 120.400 -0.180 0.000 2.209 636 K HA -0.230 4.086 4.320 -0.005 0.000 0.204 636 K C 2.094 178.635 176.600 -0.098 0.000 1.048 636 K CA 1.883 58.089 56.287 -0.135 0.000 0.940 636 K CB 0.016 32.451 32.500 -0.108 0.000 0.729 636 K HN 0.619 nan 8.250 nan 0.000 0.451 637 E N -0.540 119.609 120.200 -0.085 0.000 2.102 637 E HA -0.079 4.268 4.350 -0.005 0.000 0.190 637 E C 1.876 178.446 176.600 -0.050 0.000 0.971 637 E CA 0.380 56.749 56.400 -0.051 0.000 0.821 637 E CB 0.118 29.801 29.700 -0.029 0.000 0.777 637 E HN 0.112 nan 8.360 nan 0.000 0.460 638 S N 0.718 116.377 115.700 -0.068 0.000 2.349 638 S HA -0.123 4.343 4.470 -0.005 0.000 0.216 638 S C 1.519 176.088 174.600 -0.051 0.000 1.033 638 S CA 1.731 59.899 58.200 -0.053 0.000 1.021 638 S CB -0.014 63.147 63.200 -0.066 0.000 0.968 638 S HN 0.253 nan 8.310 nan 0.000 0.426 639 K N -0.340 120.007 120.400 -0.087 0.000 2.438 639 K HA 0.367 4.683 4.320 -0.005 0.000 0.205 639 K C 0.690 177.253 176.600 -0.061 0.000 1.033 639 K CA 0.485 56.738 56.287 -0.056 0.000 1.089 639 K CB 0.340 32.830 32.500 -0.018 0.000 0.857 639 K HN 0.467 nan 8.250 nan 0.000 0.522 640 G N 1.674 110.426 108.800 -0.080 0.000 2.333 640 G HA2 -0.209 3.747 3.960 -0.005 0.000 0.296 640 G HA3 -0.209 3.747 3.960 -0.005 0.000 0.296 640 G C -0.306 174.550 174.900 -0.073 0.000 1.059 640 G CA 0.079 45.139 45.100 -0.066 0.000 1.050 640 G HN 0.171 nan 8.290 nan 0.000 0.508 641 V N 0.263 120.106 119.914 -0.118 0.000 2.483 641 V HA 0.433 4.550 4.120 -0.005 0.000 0.297 641 V C -0.031 175.984 176.094 -0.133 0.000 1.027 641 V CA -1.376 60.856 62.300 -0.113 0.000 0.855 641 V CB 1.970 33.704 31.823 -0.148 0.000 0.995 641 V HN 0.332 nan 8.190 nan 0.000 0.424 642 E N 4.480 124.622 120.200 -0.096 0.000 2.104 642 E HA 0.250 4.597 4.350 -0.005 0.000 0.278 642 E C -0.435 176.084 176.600 -0.135 0.000 1.127 642 E CA -0.049 56.282 56.400 -0.114 0.000 0.897 642 E CB 1.312 30.961 29.700 -0.085 0.000 1.043 642 E HN 0.522 nan 8.360 nan 0.000 0.410 643 L N 3.770 124.865 121.223 -0.214 0.000 2.401 643 L HA 0.066 4.402 4.340 -0.005 0.000 0.283 643 L C 0.429 177.039 176.870 -0.434 0.000 1.151 643 L CA -0.219 54.440 54.840 -0.302 0.000 0.942 643 L CB 0.205 42.016 42.059 -0.413 0.000 1.283 643 L HN 0.223 nan 8.230 nan 0.000 0.442 644 D N 2.491 122.748 120.400 -0.238 0.000 2.563 644 D HA 0.032 4.668 4.640 -0.005 0.000 0.222 644 D C 1.084 177.329 176.300 -0.091 0.000 1.145 644 D CA -0.171 53.729 54.000 -0.166 0.000 1.001 644 D CB 0.246 40.996 40.800 -0.084 0.000 1.049 644 D HN 0.335 nan 8.370 nan 0.000 0.515 645 Y N 0.460 120.761 120.300 0.003 0.000 2.283 645 Y HA -0.213 4.334 4.550 -0.005 0.000 0.285 645 Y C 1.460 177.355 175.900 -0.009 0.000 1.176 645 Y CA 0.725 58.828 58.100 0.005 0.000 1.229 645 Y CB 0.240 38.706 38.460 0.010 0.000 0.975 645 Y HN 0.285 nan 8.280 nan 0.000 0.537 646 D N -0.294 120.181 120.400 0.127 0.000 2.352 646 D HA 0.046 4.682 4.640 -0.005 0.000 0.236 646 D C 0.856 177.175 176.300 0.032 0.000 1.148 646 D CA 0.460 54.501 54.000 0.069 0.000 0.844 646 D CB 0.071 40.898 40.800 0.044 0.000 0.933 646 D HN 0.364 nan 8.370 nan 0.000 0.507 647 R N 0.031 120.545 120.500 0.023 0.000 2.508 647 R HA 0.228 4.565 4.340 -0.005 0.000 0.420 647 R C -0.495 175.795 176.300 -0.018 0.000 0.866 647 R CA -0.172 55.926 56.100 -0.003 0.000 1.103 647 R CB 0.683 30.974 30.300 -0.014 0.000 1.657 647 R HN 0.027 nan 8.270 nan 0.000 0.562 648 L N 2.738 123.947 121.223 -0.024 0.000 2.334 648 L HA 0.461 4.798 4.340 -0.005 0.000 0.277 648 L C -1.828 175.005 176.870 -0.061 0.000 1.075 648 L CA -1.935 52.850 54.840 -0.090 0.000 0.804 648 L CB 0.903 42.844 42.059 -0.197 0.000 1.174 648 L HN -0.109 nan 8.230 nan 0.000 0.438 649 P HA 0.052 nan 4.420 nan 0.000 0.268 649 P C -0.216 177.110 177.300 0.043 0.000 1.205 649 P CA -0.040 63.061 63.100 0.002 0.000 0.771 649 P CB 0.657 32.378 31.700 0.036 0.000 0.858 650 L N 1.459 122.665 121.223 -0.028 0.000 2.872 650 L HA 0.220 4.557 4.340 -0.005 0.000 0.245 650 L C 0.734 177.684 176.870 0.134 0.000 1.211 650 L CA 0.120 54.786 54.840 -0.289 0.000 1.013 650 L CB -0.332 41.535 42.059 -0.319 0.000 1.326 650 L HN 0.334 nan 8.230 nan 0.000 0.525 651 D N -2.051 118.523 120.400 0.291 0.000 2.563 651 D HA 0.012 4.648 4.640 -0.005 0.000 0.237 651 D C 0.105 176.660 176.300 0.425 0.000 1.282 651 D CA -0.263 53.981 54.000 0.407 0.000 0.816 651 D CB 0.193 41.124 40.800 0.218 0.000 1.066 651 D HN 0.089 nan 8.370 nan 0.000 0.501 652 D N 2.800 123.443 120.400 0.406 0.000 2.363 652 D HA 0.038 4.674 4.640 -0.005 0.000 0.263 652 D C -0.991 175.484 176.300 0.292 0.000 1.258 652 D CA -1.424 52.758 54.000 0.303 0.000 0.907 652 D CB 1.639 42.607 40.800 0.279 0.000 1.107 652 D HN -0.102 nan 8.370 nan 0.000 0.495 653 P HA -0.226 nan 4.420 nan 0.000 0.212 653 P C 0.939 178.346 177.300 0.177 0.000 1.178 653 P CA 1.336 64.598 63.100 0.270 0.000 0.915 653 P CB 0.143 31.953 31.700 0.184 0.000 0.788 654 K N -0.952 119.507 120.400 0.099 0.000 2.362 654 K HA -0.088 4.229 4.320 -0.005 0.000 0.202 654 K C 2.029 178.571 176.600 -0.097 0.000 1.045 654 K CA 1.412 57.670 56.287 -0.047 0.000 0.936 654 K CB -0.499 31.857 32.500 -0.240 0.000 0.747 654 K HN 0.231 nan 8.250 nan 0.000 0.467 655 T N 0.418 114.924 114.554 -0.081 0.000 2.735 655 T HA -0.043 4.303 4.350 -0.005 0.000 0.256 655 T C 1.518 176.083 174.700 -0.225 0.000 1.042 655 T CA 1.090 63.034 62.100 -0.261 0.000 1.147 655 T CB -0.263 68.263 68.868 -0.571 0.000 0.865 655 T HN 0.133 nan 8.240 nan 0.000 0.421 656 F N 1.592 121.583 119.950 0.068 0.000 2.102 656 F HA -0.039 4.485 4.527 -0.005 0.000 0.298 656 F C 2.574 178.399 175.800 0.041 0.000 1.105 656 F CA 0.949 58.999 58.000 0.084 0.000 1.239 656 F CB -0.450 38.635 39.000 0.142 0.000 0.991 656 F HN 0.170 nan 8.300 nan 0.000 0.474 657 E N 0.484 120.802 120.200 0.196 0.000 2.219 657 E HA -0.260 4.087 4.350 -0.005 0.000 0.198 657 E C 2.046 178.667 176.600 0.035 0.000 0.998 657 E CA 1.188 57.648 56.400 0.100 0.000 0.818 657 E CB -0.275 29.461 29.700 0.059 0.000 0.741 657 E HN 0.439 nan 8.360 nan 0.000 0.477 658 L N 0.354 121.570 121.223 -0.011 0.000 1.993 658 L HA -0.162 4.175 4.340 -0.005 0.000 0.206 658 L C 2.127 178.983 176.870 -0.023 0.000 1.074 658 L CA 1.162 55.968 54.840 -0.055 0.000 0.746 658 L CB -0.172 41.811 42.059 -0.126 0.000 0.896 658 L HN 0.096 nan 8.230 nan 0.000 0.435 659 L N -0.436 120.786 121.223 -0.001 0.000 2.089 659 L HA -0.282 4.055 4.340 -0.005 0.000 0.213 659 L C 2.539 179.432 176.870 0.039 0.000 1.079 659 L CA 1.498 56.354 54.840 0.026 0.000 0.758 659 L CB -0.795 41.318 42.059 0.089 0.000 0.891 659 L HN 0.277 nan 8.230 nan 0.000 0.433 660 S N -0.821 114.921 115.700 0.070 0.000 2.387 660 S HA -0.089 4.378 4.470 -0.005 0.000 0.226 660 S C 1.974 176.595 174.600 0.034 0.000 1.026 660 S CA 0.861 59.099 58.200 0.062 0.000 0.972 660 S CB -0.162 63.096 63.200 0.098 0.000 0.814 660 S HN 0.344 nan 8.310 nan 0.000 0.477 661 R N 0.558 121.070 120.500 0.019 0.000 2.339 661 R HA 0.062 4.399 4.340 -0.005 0.000 0.199 661 R C 1.098 177.392 176.300 -0.010 0.000 1.018 661 R CA 0.432 56.533 56.100 0.002 0.000 1.036 661 R CB -0.287 30.006 30.300 -0.011 0.000 0.899 661 R HN 0.452 nan 8.270 nan 0.000 0.473 662 G N 1.758 110.549 108.800 -0.014 0.000 2.298 662 G HA2 -0.273 3.684 3.960 -0.005 0.000 0.287 662 G HA3 -0.273 3.684 3.960 -0.005 0.000 0.287 662 G C -0.200 174.677 174.900 -0.038 0.000 1.075 662 G CA 0.121 45.204 45.100 -0.027 0.000 0.960 662 G HN 0.479 nan 8.290 nan 0.000 0.502 663 E N 0.083 120.253 120.200 -0.049 0.000 2.411 663 E HA 0.128 4.474 4.350 -0.005 0.000 0.228 663 E C 1.958 178.513 176.600 -0.075 0.000 1.169 663 E CA 0.373 56.735 56.400 -0.064 0.000 1.421 663 E CB -0.023 29.627 29.700 -0.083 0.000 1.333 663 E HN 0.598 nan 8.360 nan 0.000 0.434 664 T N -1.428 113.092 114.554 -0.057 0.000 2.929 664 T HA -0.213 4.134 4.350 -0.005 0.000 0.271 664 T C 1.531 176.212 174.700 -0.031 0.000 1.085 664 T CA 0.722 62.792 62.100 -0.050 0.000 1.125 664 T CB -0.148 68.688 68.868 -0.052 0.000 0.874 664 T HN 0.175 nan 8.240 nan 0.000 0.494 665 K N 1.524 121.909 120.400 -0.024 0.000 2.163 665 K HA -0.241 4.076 4.320 -0.005 0.000 0.222 665 K C 2.277 178.887 176.600 0.018 0.000 0.990 665 K CA 2.140 58.427 56.287 0.000 0.000 0.959 665 K CB -1.334 31.169 32.500 0.007 0.000 0.882 665 K HN 0.524 nan 8.250 nan 0.000 0.472 666 G N 0.445 109.288 108.800 0.072 0.000 3.088 666 G HA2 0.215 4.172 3.960 -0.005 0.000 0.217 666 G HA3 0.215 4.172 3.960 -0.005 0.000 0.217 666 G C -0.124 174.843 174.900 0.111 0.000 1.159 666 G CA -0.326 44.838 45.100 0.106 0.000 0.760 666 G HN 0.073 nan 8.290 nan 0.000 0.550 667 V N 2.135 122.101 119.914 0.088 0.000 2.385 667 V HA 0.280 4.396 4.120 -0.005 0.000 0.269 667 V C 0.271 176.434 176.094 0.114 0.000 1.043 667 V CA -1.375 60.988 62.300 0.105 0.000 0.906 667 V CB 0.450 32.302 31.823 0.048 0.000 0.995 667 V HN 0.275 nan 8.190 nan 0.000 0.467 668 F N 4.827 124.768 119.950 -0.014 0.000 2.547 668 F HA -0.102 4.422 4.527 -0.006 0.000 0.386 668 F C 1.381 177.192 175.800 0.019 0.000 1.031 668 F CA 1.634 59.632 58.000 -0.003 0.000 1.255 668 F CB -0.125 38.880 39.000 0.009 0.000 0.947 668 F HN 0.885 nan 8.300 nan 0.000 0.574 669 Q N 1.573 121.013 119.800 -0.599 0.000 3.303 669 Q HA -0.316 4.021 4.340 -0.005 0.000 0.206 669 Q C 0.295 176.118 176.000 -0.295 0.000 2.771 669 Q CA 1.913 57.314 55.803 -0.671 0.000 0.261 669 Q CB -1.230 26.968 28.738 -0.901 0.000 0.203 669 Q HN 0.735 nan 8.270 nan 0.000 0.468 670 L N 0.388 121.486 121.223 -0.208 0.000 2.583 670 L HA 0.347 4.684 4.340 -0.005 0.000 0.239 670 L C 0.611 177.407 176.870 -0.124 0.000 1.347 670 L CA 0.640 55.379 54.840 -0.169 0.000 1.246 670 L CB 0.320 42.293 42.059 -0.143 0.000 1.496 670 L HN 0.176 nan 8.230 nan 0.000 0.413 671 E N -0.646 119.489 120.200 -0.109 0.000 2.447 671 E HA 0.155 4.502 4.350 -0.005 0.000 0.204 671 E C 0.252 176.813 176.600 -0.064 0.000 0.977 671 E CA -0.145 56.215 56.400 -0.065 0.000 0.950 671 E CB 0.538 30.217 29.700 -0.034 0.000 0.975 671 E HN 0.647 nan 8.360 nan 0.000 0.496 672 S N 0.866 116.514 115.700 -0.087 0.000 2.561 672 S HA -0.040 4.427 4.470 -0.005 0.000 0.294 672 S C 1.408 175.975 174.600 -0.056 0.000 1.294 672 S CA 0.266 58.430 58.200 -0.060 0.000 1.055 672 S CB 0.954 64.118 63.200 -0.060 0.000 0.819 672 S HN 0.429 nan 8.310 nan 0.000 0.503 673 G N 3.104 111.892 108.800 -0.019 0.000 2.672 673 G HA2 -0.257 3.700 3.960 -0.005 0.000 0.218 673 G HA3 -0.257 3.700 3.960 -0.005 0.000 0.218 673 G C 1.467 176.353 174.900 -0.023 0.000 1.238 673 G CA 0.991 46.083 45.100 -0.014 0.000 0.791 673 G HN 0.831 nan 8.290 nan 0.000 0.606 674 G N 0.343 109.152 108.800 0.014 0.000 2.414 674 G HA2 -0.141 3.816 3.960 -0.005 0.000 0.215 674 G HA3 -0.141 3.816 3.960 -0.005 0.000 0.215 674 G C 1.825 176.650 174.900 -0.125 0.000 1.188 674 G CA 1.658 46.784 45.100 0.044 0.000 0.783 674 G HN 0.475 nan 8.290 nan 0.000 0.537 675 M N 1.071 120.431 119.600 -0.399 0.000 2.143 675 M HA -0.104 4.373 4.480 -0.005 0.000 0.258 675 M C 2.359 178.408 176.300 -0.419 0.000 1.071 675 M CA 2.364 57.142 55.300 -0.870 0.000 1.088 675 M CB -1.009 31.079 32.600 -0.853 0.000 1.360 675 M HN 0.151 nan 8.290 nan 0.000 0.404 676 T N 0.714 115.126 114.554 -0.237 0.000 2.607 676 T HA -0.190 4.157 4.350 -0.005 0.000 0.267 676 T C 1.776 176.405 174.700 -0.119 0.000 1.049 676 T CA 2.264 64.277 62.100 -0.145 0.000 1.162 676 T CB -0.811 68.002 68.868 -0.091 0.000 0.863 676 T HN 0.663 nan 8.240 nan 0.000 0.424 677 A N 0.968 123.729 122.820 -0.097 0.000 1.903 677 A HA -0.217 4.100 4.320 -0.005 0.000 0.219 677 A C 2.538 180.082 177.584 -0.067 0.000 1.191 677 A CA 2.666 54.665 52.037 -0.063 0.000 0.638 677 A CB -1.512 17.463 19.000 -0.041 0.000 0.823 677 A HN 0.542 nan 8.150 nan 0.000 0.451 678 T N 0.033 114.528 114.554 -0.099 0.000 2.597 678 T HA -0.208 4.139 4.350 -0.005 0.000 0.267 678 T C 1.904 176.549 174.700 -0.091 0.000 1.053 678 T CA 2.180 64.228 62.100 -0.086 0.000 1.165 678 T CB -0.875 67.916 68.868 -0.128 0.000 0.863 678 T HN 0.243 nan 8.240 nan 0.000 0.427 679 V N 1.606 121.448 119.914 -0.121 0.000 2.250 679 V HA -0.249 3.868 4.120 -0.005 0.000 0.250 679 V C 2.532 178.596 176.094 -0.050 0.000 1.060 679 V CA 1.765 64.013 62.300 -0.087 0.000 1.030 679 V CB -0.707 31.067 31.823 -0.080 0.000 0.643 679 V HN 0.389 nan 8.190 nan 0.000 0.445 680 R N 0.219 120.696 120.500 -0.038 0.000 2.316 680 R HA -0.146 4.191 4.340 -0.005 0.000 0.232 680 R C 2.117 178.426 176.300 0.015 0.000 1.137 680 R CA 1.320 57.415 56.100 -0.008 0.000 1.012 680 R CB -0.476 29.817 30.300 -0.011 0.000 0.859 680 R HN 0.673 nan 8.270 nan 0.000 0.474 681 G N -0.460 108.338 108.800 -0.003 0.000 2.724 681 G HA2 -0.096 3.861 3.960 -0.005 0.000 0.205 681 G HA3 -0.096 3.861 3.960 -0.005 0.000 0.205 681 G C 1.142 176.007 174.900 -0.058 0.000 1.112 681 G CA -0.311 44.803 45.100 0.022 0.000 0.793 681 G HN 0.141 nan 8.290 nan 0.000 0.526 682 L N 0.392 121.544 121.223 -0.118 0.000 2.131 682 L HA 0.294 4.631 4.340 -0.005 0.000 0.206 682 L C 0.895 177.599 176.870 -0.277 0.000 1.087 682 L CA 0.891 55.585 54.840 -0.244 0.000 0.767 682 L CB -0.231 41.718 42.059 -0.183 0.000 0.917 682 L HN 0.031 nan 8.230 nan 0.000 0.441 683 K N 0.343 120.684 120.400 -0.098 0.000 3.689 683 K HA -0.137 4.180 4.320 -0.005 0.000 0.276 683 K C -2.208 174.378 176.600 -0.022 0.000 0.932 683 K CA 0.633 56.922 56.287 0.004 0.000 0.758 683 K CB -2.018 30.554 32.500 0.120 0.000 1.500 683 K HN 0.386 nan 8.250 nan 0.000 0.448 684 P HA 0.093 nan 4.420 nan 0.000 0.276 684 P C 0.258 177.513 177.300 -0.075 0.000 1.230 684 P CA -0.059 62.996 63.100 -0.075 0.000 0.776 684 P CB 0.702 32.405 31.700 0.005 0.000 0.888 685 R N 2.032 122.453 120.500 -0.132 0.000 2.225 685 R HA 0.121 4.458 4.340 -0.005 0.000 0.194 685 R C 0.781 176.443 176.300 -1.065 0.000 0.957 685 R CA 0.440 56.325 56.100 -0.359 0.000 1.042 685 R CB 0.249 30.532 30.300 -0.029 0.000 1.004 685 R HN 0.599 nan 8.270 nan 0.000 0.509 686 R N -0.750 119.275 120.500 -0.790 0.000 2.808 686 R HA 0.235 4.572 4.340 -0.005 0.000 0.272 686 R C 0.353 176.534 176.300 -0.197 0.000 0.995 686 R CA -0.829 54.906 56.100 -0.609 0.000 0.917 686 R CB 0.815 31.035 30.300 -0.133 0.000 1.217 686 R HN -0.212 nan 8.270 nan 0.000 0.471 687 L N 1.403 122.735 121.223 0.181 0.000 2.034 687 L HA -0.245 4.092 4.340 -0.005 0.000 0.217 687 L C 1.470 178.424 176.870 0.139 0.000 1.077 687 L CA 2.095 57.089 54.840 0.255 0.000 0.769 687 L CB -0.454 41.678 42.059 0.121 0.000 0.890 687 L HN 0.810 nan 8.230 nan 0.000 0.435 688 E N -0.295 119.984 120.200 0.133 0.000 2.448 688 E HA -0.209 4.138 4.350 -0.005 0.000 0.203 688 E C 1.637 178.361 176.600 0.206 0.000 1.046 688 E CA 1.160 57.656 56.400 0.160 0.000 0.871 688 E CB -0.272 29.543 29.700 0.192 0.000 0.790 688 E HN 0.618 nan 8.360 nan 0.000 0.545 689 D N -0.565 119.943 120.400 0.179 0.000 2.269 689 D HA 0.044 4.681 4.640 -0.005 0.000 0.220 689 D C 1.964 178.324 176.300 0.101 0.000 0.962 689 D CA 0.411 54.528 54.000 0.194 0.000 0.884 689 D CB -0.043 40.855 40.800 0.163 0.000 1.023 689 D HN 0.193 nan 8.370 nan 0.000 0.484 690 I N 1.540 122.190 120.570 0.134 0.000 2.208 690 I HA -0.252 3.914 4.170 -0.005 0.000 0.245 690 I C 2.436 178.599 176.117 0.077 0.000 1.097 690 I CA 0.898 62.269 61.300 0.118 0.000 1.363 690 I CB -0.276 37.845 38.000 0.201 0.000 1.051 690 I HN -0.036 nan 8.210 nan 0.000 0.413 691 I N 0.974 121.598 120.570 0.090 0.000 2.163 691 I HA -0.298 3.869 4.170 -0.005 0.000 0.243 691 I C 2.726 178.962 176.117 0.199 0.000 1.085 691 I CA 1.632 62.993 61.300 0.102 0.000 1.347 691 I CB -0.631 37.394 38.000 0.042 0.000 1.044 691 I HN 0.201 nan 8.210 nan 0.000 0.408 692 A N 0.280 123.197 122.820 0.161 0.000 2.067 692 A HA -0.060 4.256 4.320 -0.005 0.000 0.217 692 A C 2.131 179.592 177.584 -0.204 0.000 1.156 692 A CA 0.753 52.782 52.037 -0.013 0.000 0.683 692 A CB -0.383 18.534 19.000 -0.140 0.000 0.808 692 A HN 0.305 nan 8.150 nan 0.000 0.455 693 L N -0.049 121.076 121.223 -0.164 0.000 1.961 693 L HA -0.080 4.257 4.340 -0.005 0.000 0.209 693 L C 2.428 179.256 176.870 -0.069 0.000 1.075 693 L CA 1.975 56.715 54.840 -0.168 0.000 0.749 693 L CB -1.028 40.957 42.059 -0.123 0.000 0.890 693 L HN 0.158 nan 8.230 nan 0.000 0.433 694 V N -0.274 119.621 119.914 -0.032 0.000 2.280 694 V HA -0.428 3.689 4.120 -0.005 0.000 0.258 694 V C 2.619 178.709 176.094 -0.007 0.000 1.081 694 V CA 2.234 64.527 62.300 -0.012 0.000 1.070 694 V CB -1.054 30.772 31.823 0.004 0.000 0.666 694 V HN 0.567 nan 8.190 nan 0.000 0.450 695 S N -0.733 115.000 115.700 0.056 0.000 2.368 695 S HA -0.021 4.445 4.470 -0.005 0.000 0.224 695 S C 1.783 176.310 174.600 -0.122 0.000 1.029 695 S CA 1.371 59.600 58.200 0.050 0.000 0.988 695 S CB -0.231 63.209 63.200 0.400 0.000 0.838 695 S HN 0.499 nan 8.310 nan 0.000 0.462 696 L N -0.525 120.655 121.223 -0.072 0.000 2.341 696 L HA 0.120 4.456 4.340 -0.005 0.000 0.214 696 L C 0.520 177.353 176.870 -0.061 0.000 1.115 696 L CA 0.419 55.219 54.840 -0.068 0.000 0.820 696 L CB -0.153 41.863 42.059 -0.072 0.000 0.944 696 L HN 0.310 nan 8.230 nan 0.000 0.452 697 Y N 3.365 123.574 120.300 -0.152 0.000 2.620 697 Y HA 0.202 4.749 4.550 -0.006 0.000 0.352 697 Y C 0.390 176.204 175.900 -0.143 0.000 1.140 697 Y CA -0.437 57.583 58.100 -0.135 0.000 1.529 697 Y CB -0.424 37.963 38.460 -0.122 0.000 1.321 697 Y HN 0.124 nan 8.280 nan 0.000 0.501 698 R N 4.772 125.048 120.500 -0.373 0.000 2.824 698 R HA 0.323 4.660 4.340 -0.005 0.000 0.267 698 R C -3.522 172.616 176.300 -0.271 0.000 1.035 698 R CA -1.904 54.012 56.100 -0.307 0.000 0.887 698 R CB 0.514 30.708 30.300 -0.176 0.000 1.262 698 R HN 0.184 nan 8.270 nan 0.000 0.487 699 P HA 0.018 nan 4.420 nan 0.000 0.262 699 P C 0.608 177.826 177.300 -0.136 0.000 1.182 699 P CA 1.777 64.779 63.100 -0.163 0.000 0.761 699 P CB 0.911 32.565 31.700 -0.077 0.000 0.795 700 G N 4.499 113.156 108.800 -0.239 0.000 3.662 700 G HA2 -0.194 3.763 3.960 -0.005 0.000 0.251 700 G HA3 -0.194 3.763 3.960 -0.005 0.000 0.251 700 G C -1.697 172.876 174.900 -0.546 0.000 1.815 700 G CA 0.124 44.957 45.100 -0.445 0.000 1.373 700 G HN 0.330 nan 8.290 nan 0.000 0.571 701 P HA -0.133 nan 4.420 nan 0.000 0.216 701 P C 2.007 179.174 177.300 -0.222 0.000 1.157 701 P CA 2.471 65.433 63.100 -0.229 0.000 0.880 701 P CB -0.222 31.441 31.700 -0.062 0.000 0.791 702 M N 0.673 120.136 119.600 -0.229 0.000 2.799 702 M HA -0.412 4.065 4.480 -0.005 0.000 0.262 702 M C 1.873 178.068 176.300 -0.174 0.000 0.925 702 M CA 2.917 58.084 55.300 -0.221 0.000 0.990 702 M CB -1.381 31.042 32.600 -0.295 0.000 1.434 702 M HN 0.123 nan 8.290 nan 0.000 0.472 703 E N -1.848 118.196 120.200 -0.261 0.000 2.187 703 E HA -0.289 4.058 4.350 -0.005 0.000 0.199 703 E C 1.461 177.953 176.600 -0.181 0.000 1.004 703 E CA 1.851 58.100 56.400 -0.252 0.000 0.813 703 E CB -0.997 28.495 29.700 -0.345 0.000 0.736 703 E HN 0.778 nan 8.360 nan 0.000 0.468 704 H N 0.016 119.065 119.070 -0.036 0.000 2.567 704 H HA 0.095 4.648 4.556 -0.005 0.000 0.276 704 H C 1.782 177.158 175.328 0.080 0.000 1.016 704 H CA 0.734 56.809 56.048 0.044 0.000 1.186 704 H CB -0.050 29.768 29.762 0.094 0.000 1.351 704 H HN 0.354 nan 8.280 nan 0.000 0.605 705 I N 0.704 121.341 120.570 0.112 0.000 2.277 705 I HA -0.097 4.070 4.170 -0.005 0.000 0.243 705 I C -0.503 175.687 176.117 0.120 0.000 1.094 705 I CA 0.362 61.724 61.300 0.103 0.000 1.393 705 I CB -0.880 37.149 38.000 0.048 0.000 1.078 705 I HN 0.124 nan 8.210 nan 0.000 0.417 706 P HA -0.167 nan 4.420 nan 0.000 0.215 706 P C 1.544 178.890 177.300 0.078 0.000 1.157 706 P CA 1.913 65.048 63.100 0.059 0.000 0.874 706 P CB -0.280 31.439 31.700 0.032 0.000 0.790 707 T N -1.999 112.618 114.554 0.106 0.000 2.652 707 T HA -0.267 4.079 4.350 -0.005 0.000 0.267 707 T C 1.667 176.427 174.700 0.099 0.000 1.039 707 T CA 1.380 63.541 62.100 0.102 0.000 1.153 707 T CB -1.585 67.370 68.868 0.145 0.000 0.863 707 T HN 0.037 nan 8.240 nan 0.000 0.428 708 Y N 1.788 122.116 120.300 0.046 0.000 2.102 708 Y HA -0.228 4.319 4.550 -0.005 0.000 0.280 708 Y C 2.184 178.042 175.900 -0.070 0.000 1.178 708 Y CA 1.256 59.380 58.100 0.040 0.000 1.146 708 Y CB -0.517 37.984 38.460 0.067 0.000 0.968 708 Y HN 0.178 nan 8.280 nan 0.000 0.504 709 I N -0.557 120.068 120.570 0.092 0.000 2.163 709 I HA -0.318 3.849 4.170 -0.005 0.000 0.240 709 I C 2.485 178.535 176.117 -0.112 0.000 1.081 709 I CA 1.545 62.808 61.300 -0.062 0.000 1.353 709 I CB -0.428 37.543 38.000 -0.048 0.000 1.054 709 I HN 0.085 nan 8.210 nan 0.000 0.407 710 R N 0.246 120.723 120.500 -0.038 0.000 2.152 710 R HA -0.107 4.230 4.340 -0.005 0.000 0.232 710 R C 2.415 178.662 176.300 -0.088 0.000 1.117 710 R CA 1.064 57.157 56.100 -0.013 0.000 0.981 710 R CB -0.153 30.151 30.300 0.006 0.000 0.870 710 R HN 0.318 nan 8.270 nan 0.000 0.451 711 R N -1.388 119.003 120.500 -0.183 0.000 2.093 711 R HA -0.094 4.243 4.340 -0.005 0.000 0.224 711 R C 2.046 177.968 176.300 -0.631 0.000 1.101 711 R CA 1.319 57.236 56.100 -0.304 0.000 0.979 711 R CB -0.202 29.951 30.300 -0.245 0.000 0.877 711 R HN 0.328 nan 8.270 nan 0.000 0.441 712 H N -0.528 117.980 119.070 -0.936 0.000 2.326 712 H HA -0.069 4.484 4.556 -0.005 0.000 0.301 712 H C 1.602 176.667 175.328 -0.439 0.000 1.081 712 H CA 1.516 56.890 56.048 -1.124 0.000 1.334 712 H CB 0.118 29.380 29.762 -0.834 0.000 1.385 712 H HN 0.171 nan 8.280 nan 0.000 0.504 713 H N 0.117 119.123 119.070 -0.108 0.000 2.568 713 H HA 0.042 4.595 4.556 -0.005 0.000 0.281 713 H C 0.883 176.141 175.328 -0.117 0.000 1.028 713 H CA 0.906 56.922 56.048 -0.053 0.000 1.199 713 H CB -0.778 28.974 29.762 -0.017 0.000 1.352 713 H HN 0.663 nan 8.280 nan 0.000 0.605 714 G N 1.357 110.109 108.800 -0.080 0.000 2.392 714 G HA2 -0.280 3.677 3.960 -0.005 0.000 0.290 714 G HA3 -0.280 3.677 3.960 -0.005 0.000 0.290 714 G C 0.415 175.292 174.900 -0.037 0.000 1.032 714 G CA 0.477 45.527 45.100 -0.082 0.000 1.269 714 G HN 0.551 nan 8.290 nan 0.000 0.511 715 Q N -0.941 118.837 119.800 -0.035 0.000 2.081 715 Q HA 0.188 4.524 4.340 -0.005 0.000 0.220 715 Q C 0.406 176.389 176.000 -0.028 0.000 0.775 715 Q CA 0.226 56.016 55.803 -0.022 0.000 0.983 715 Q CB 1.345 30.080 28.738 -0.004 0.000 1.188 715 Q HN 0.741 nan 8.270 nan 0.000 0.458 716 E N 1.394 121.568 120.200 -0.044 0.000 2.278 716 E HA 0.345 4.692 4.350 -0.005 0.000 0.272 716 E C -2.702 173.866 176.600 -0.054 0.000 0.890 716 E CA -2.070 54.304 56.400 -0.043 0.000 0.770 716 E CB 1.765 31.442 29.700 -0.038 0.000 1.212 716 E HN -0.173 nan 8.360 nan 0.000 0.415 717 P HA 0.009 nan 4.420 nan 0.000 0.269 717 P C -0.948 176.299 177.300 -0.088 0.000 1.217 717 P CA -0.356 62.709 63.100 -0.059 0.000 0.783 717 P CB 0.571 32.238 31.700 -0.055 0.000 0.898 718 V N 1.522 121.369 119.914 -0.113 0.000 2.259 718 V HA 0.286 4.403 4.120 -0.005 0.000 0.267 718 V C 0.467 176.329 176.094 -0.385 0.000 1.051 718 V CA -0.303 61.874 62.300 -0.205 0.000 0.830 718 V CB 0.121 31.863 31.823 -0.135 0.000 1.080 718 V HN 0.668 nan 8.190 nan 0.000 0.467 719 S N 3.869 119.338 115.700 -0.385 0.000 2.593 719 S HA 0.663 5.130 4.470 -0.005 0.000 0.297 719 S C -0.556 173.787 174.600 -0.429 0.000 1.112 719 S CA -0.502 57.495 58.200 -0.339 0.000 1.043 719 S CB 1.362 64.475 63.200 -0.143 0.000 1.054 719 S HN 0.524 nan 8.310 nan 0.000 0.516 720 Y N 1.097 121.412 120.300 0.026 0.000 2.698 720 Y HA 0.441 4.987 4.550 -0.005 0.000 0.261 720 Y C 1.694 177.593 175.900 -0.002 0.000 1.104 720 Y CA -0.511 57.622 58.100 0.055 0.000 1.145 720 Y CB 0.117 38.642 38.460 0.107 0.000 1.191 720 Y HN 0.885 nan 8.280 nan 0.000 0.564 721 A N -0.076 122.769 122.820 0.041 0.000 2.172 721 A HA -0.128 4.189 4.320 -0.005 0.000 0.216 721 A C 1.807 179.328 177.584 -0.104 0.000 1.154 721 A CA 1.246 53.275 52.037 -0.013 0.000 0.701 721 A CB -0.165 18.817 19.000 -0.030 0.000 0.789 721 A HN 0.535 nan 8.150 nan 0.000 0.465 722 E N -1.446 118.587 120.200 -0.278 0.000 2.299 722 E HA 0.007 4.354 4.350 -0.005 0.000 0.193 722 E C -0.715 175.401 176.600 -0.808 0.000 0.998 722 E CA 0.445 56.463 56.400 -0.636 0.000 0.851 722 E CB 0.049 29.149 29.700 -1.001 0.000 0.795 722 E HN 0.759 nan 8.360 nan 0.000 0.492 723 F N -0.159 119.880 119.950 0.148 0.000 2.646 723 F HA 0.255 4.779 4.527 -0.005 0.000 0.336 723 F C -1.982 173.900 175.800 0.135 0.000 1.437 723 F CA -1.899 56.192 58.000 0.151 0.000 1.142 723 F CB 1.129 40.219 39.000 0.151 0.000 1.530 723 F HN -0.132 nan 8.300 nan 0.000 0.591 724 P HA -0.235 nan 4.420 nan 0.000 0.216 724 P C 1.294 178.616 177.300 0.036 0.000 1.153 724 P CA 1.869 65.016 63.100 0.078 0.000 0.858 724 P CB 0.142 31.836 31.700 -0.010 0.000 0.789 725 H N -0.536 118.621 119.070 0.144 0.000 2.462 725 H HA 0.148 4.701 4.556 -0.005 0.000 0.292 725 H C 1.872 177.302 175.328 0.170 0.000 1.049 725 H CA 1.328 57.455 56.048 0.131 0.000 1.334 725 H CB -0.156 29.679 29.762 0.123 0.000 1.404 725 H HN 0.146 nan 8.280 nan 0.000 0.544 726 A N 0.811 123.819 122.820 0.314 0.000 2.169 726 A HA -0.063 4.254 4.320 -0.005 0.000 0.212 726 A C 2.227 179.912 177.584 0.168 0.000 1.153 726 A CA 0.409 52.610 52.037 0.272 0.000 0.756 726 A CB -0.079 19.037 19.000 0.195 0.000 0.813 726 A HN 0.388 nan 8.150 nan 0.000 0.471 727 E N 1.517 121.775 120.200 0.096 0.000 2.058 727 E HA -0.269 4.078 4.350 -0.005 0.000 0.194 727 E C 1.718 178.244 176.600 -0.123 0.000 0.997 727 E CA 1.663 58.023 56.400 -0.067 0.000 0.801 727 E CB -0.192 29.515 29.700 0.011 0.000 0.746 727 E HN 0.733 nan 8.360 nan 0.000 0.450 728 K N -0.847 119.487 120.400 -0.109 0.000 2.589 728 K HA -0.168 4.149 4.320 -0.005 0.000 0.195 728 K C 0.781 177.128 176.600 -0.421 0.000 1.040 728 K CA 1.210 57.345 56.287 -0.253 0.000 0.950 728 K CB -0.119 32.205 32.500 -0.293 0.000 0.781 728 K HN 0.328 nan 8.250 nan 0.000 0.486 729 Y N 0.092 120.339 120.300 -0.089 0.000 2.638 729 Y HA 0.183 4.730 4.550 -0.005 0.000 0.275 729 Y C 1.988 177.810 175.900 -0.131 0.000 1.122 729 Y CA -0.428 57.618 58.100 -0.089 0.000 1.266 729 Y CB 0.332 38.753 38.460 -0.066 0.000 1.317 729 Y HN -0.168 nan 8.280 nan 0.000 0.501 730 L N -0.310 120.874 121.223 -0.065 0.000 2.007 730 L HA -0.138 4.198 4.340 -0.005 0.000 0.205 730 L C 2.379 179.074 176.870 -0.291 0.000 1.073 730 L CA 1.187 55.892 54.840 -0.224 0.000 0.744 730 L CB -0.644 41.166 42.059 -0.415 0.000 0.898 730 L HN 0.060 nan 8.230 nan 0.000 0.435 731 R N -0.013 120.218 120.500 -0.448 0.000 2.196 731 R HA -0.254 4.082 4.340 -0.005 0.000 0.244 731 R C -0.003 176.256 176.300 -0.069 0.000 1.121 731 R CA 2.672 58.634 56.100 -0.230 0.000 0.930 731 R CB -2.036 28.203 30.300 -0.101 0.000 0.890 731 R HN 0.308 nan 8.270 nan 0.000 0.435 732 P HA -0.175 nan 4.420 nan 0.000 0.215 732 P C 1.316 178.619 177.300 0.005 0.000 1.157 732 P CA 1.527 64.613 63.100 -0.023 0.000 0.874 732 P CB -0.107 31.576 31.700 -0.028 0.000 0.790 733 I N -2.135 118.436 120.570 0.003 0.000 2.252 733 I HA -0.192 3.975 4.170 -0.005 0.000 0.245 733 I C 1.924 178.067 176.117 0.043 0.000 1.102 733 I CA 1.441 62.761 61.300 0.033 0.000 1.385 733 I CB -0.397 37.620 38.000 0.027 0.000 1.064 733 I HN -0.121 nan 8.210 nan 0.000 0.414 734 L N -0.921 120.320 121.223 0.030 0.000 2.590 734 L HA 0.094 4.431 4.340 -0.005 0.000 0.227 734 L C 1.531 178.456 176.870 0.091 0.000 1.099 734 L CA 0.230 55.111 54.840 0.068 0.000 0.872 734 L CB -0.174 41.950 42.059 0.108 0.000 1.088 734 L HN 0.017 nan 8.230 nan 0.000 0.479 735 D N 1.009 121.460 120.400 0.084 0.000 2.117 735 D HA -0.243 4.394 4.640 -0.005 0.000 0.197 735 D C 1.957 178.192 176.300 -0.108 0.000 0.987 735 D CA 1.317 55.337 54.000 0.033 0.000 0.829 735 D CB 0.168 40.992 40.800 0.039 0.000 0.961 735 D HN 0.474 nan 8.370 nan 0.000 0.460 736 E N -0.903 119.259 120.200 -0.062 0.000 2.510 736 E HA -0.126 4.221 4.350 -0.005 0.000 0.202 736 E C 0.757 177.276 176.600 -0.135 0.000 1.072 736 E CA 1.055 57.400 56.400 -0.092 0.000 0.883 736 E CB -0.058 29.661 29.700 0.031 0.000 0.818 736 E HN -0.006 nan 8.360 nan 0.000 0.548 737 T N -0.910 113.569 114.554 -0.124 0.000 3.442 737 T HA 0.120 4.467 4.350 -0.005 0.000 0.295 737 T C -0.837 173.842 174.700 -0.035 0.000 1.007 737 T CA -0.415 61.685 62.100 -0.001 0.000 0.962 737 T CB -0.502 68.403 68.868 0.063 0.000 1.187 737 T HN 0.372 nan 8.240 nan 0.000 0.490 738 Y N -0.015 120.219 120.300 -0.111 0.000 4.317 738 Y HA -0.322 4.224 4.550 -0.005 0.000 0.212 738 Y C 1.443 177.280 175.900 -0.105 0.000 1.080 738 Y CA 1.195 59.183 58.100 -0.186 0.000 1.735 738 Y CB -1.789 36.425 38.460 -0.410 0.000 1.567 738 Y HN 0.610 nan 8.280 nan 0.000 0.619 739 G N -0.536 108.300 108.800 0.061 0.000 2.154 739 G HA2 -0.212 3.745 3.960 -0.005 0.000 0.186 739 G HA3 -0.212 3.745 3.960 -0.005 0.000 0.186 739 G C -0.228 174.687 174.900 0.025 0.000 1.000 739 G CA -0.222 44.921 45.100 0.072 0.000 0.664 739 G HN 0.412 nan 8.290 nan 0.000 0.513 740 I N 0.869 121.444 120.570 0.009 0.000 2.382 740 I HA 0.341 4.508 4.170 -0.005 0.000 0.286 740 I C -2.431 173.575 176.117 -0.183 0.000 1.002 740 I CA -2.651 58.593 61.300 -0.092 0.000 1.135 740 I CB 2.278 40.314 38.000 0.060 0.000 1.288 740 I HN -0.217 nan 8.210 nan 0.000 0.448 741 P HA 0.041 nan 4.420 nan 0.000 0.263 741 P C 0.591 177.829 177.300 -0.104 0.000 1.345 741 P CA 0.266 63.177 63.100 -0.315 0.000 1.119 741 P CB 0.463 31.802 31.700 -0.603 0.000 1.363 742 V N 2.792 122.618 119.914 -0.145 0.000 2.581 742 V HA 0.010 4.127 4.120 -0.005 0.000 0.240 742 V C 0.627 176.697 176.094 -0.040 0.000 1.054 742 V CA 0.890 63.094 62.300 -0.160 0.000 1.076 742 V CB -0.585 30.955 31.823 -0.472 0.000 0.748 742 V HN 0.305 nan 8.190 nan 0.000 0.474 743 Y N 0.552 120.933 120.300 0.135 0.000 2.310 743 Y HA 0.230 4.777 4.550 -0.005 0.000 0.326 743 Y C 1.604 177.559 175.900 0.093 0.000 1.151 743 Y CA -0.445 57.729 58.100 0.123 0.000 1.195 743 Y CB 0.882 39.393 38.460 0.084 0.000 1.210 743 Y HN 0.061 nan 8.280 nan 0.000 0.483 744 Q N 1.424 121.376 119.800 0.253 0.000 2.096 744 Q HA -0.228 4.109 4.340 -0.005 0.000 0.204 744 Q C 1.419 177.490 176.000 0.118 0.000 0.982 744 Q CA 1.995 57.886 55.803 0.146 0.000 0.850 744 Q CB -0.027 28.772 28.738 0.101 0.000 0.901 744 Q HN 0.775 nan 8.270 nan 0.000 0.422 745 E N 0.898 121.176 120.200 0.129 0.000 2.097 745 E HA -0.228 4.118 4.350 -0.005 0.000 0.196 745 E C 1.941 178.614 176.600 0.122 0.000 1.000 745 E CA 1.317 57.782 56.400 0.109 0.000 0.804 745 E CB -0.124 29.632 29.700 0.092 0.000 0.740 745 E HN 0.357 nan 8.360 nan 0.000 0.454 746 Q N -0.074 119.824 119.800 0.162 0.000 2.112 746 Q HA -0.198 4.139 4.340 -0.005 0.000 0.206 746 Q C 2.273 178.314 176.000 0.069 0.000 0.987 746 Q CA 1.245 57.121 55.803 0.122 0.000 0.858 746 Q CB -0.264 28.546 28.738 0.120 0.000 0.905 746 Q HN 0.342 nan 8.270 nan 0.000 0.420 747 I N 0.300 120.909 120.570 0.066 0.000 2.090 747 I HA -0.333 3.834 4.170 -0.005 0.000 0.236 747 I C 2.423 178.572 176.117 0.052 0.000 1.064 747 I CA 1.257 62.581 61.300 0.040 0.000 1.324 747 I CB -0.170 37.852 38.000 0.035 0.000 1.044 747 I HN 0.248 nan 8.210 nan 0.000 0.399 748 M N -0.406 119.226 119.600 0.053 0.000 2.113 748 M HA -0.384 4.093 4.480 -0.005 0.000 0.255 748 M C 2.376 178.721 176.300 0.075 0.000 1.073 748 M CA 2.058 57.388 55.300 0.052 0.000 1.091 748 M CB -0.813 31.818 32.600 0.051 0.000 1.309 748 M HN 0.297 nan 8.290 nan 0.000 0.407 749 Q N 0.221 120.069 119.800 0.078 0.000 2.045 749 Q HA -0.211 4.126 4.340 -0.005 0.000 0.206 749 Q C 2.046 178.085 176.000 0.064 0.000 0.991 749 Q CA 1.869 57.718 55.803 0.078 0.000 0.851 749 Q CB -0.419 28.369 28.738 0.082 0.000 0.911 749 Q HN 0.564 nan 8.270 nan 0.000 0.418 750 I N 0.553 121.156 120.570 0.056 0.000 2.087 750 I HA -0.384 3.782 4.170 -0.005 0.000 0.240 750 I C 2.457 178.608 176.117 0.057 0.000 1.054 750 I CA 1.399 62.723 61.300 0.040 0.000 1.311 750 I CB -0.492 37.523 38.000 0.026 0.000 1.024 750 I HN 0.238 nan 8.210 nan 0.000 0.402 751 A N -0.539 122.374 122.820 0.154 0.000 1.877 751 A HA -0.261 4.056 4.320 -0.005 0.000 0.216 751 A C 2.467 180.163 177.584 0.188 0.000 1.186 751 A CA 2.221 54.421 52.037 0.273 0.000 0.620 751 A CB -1.011 18.251 19.000 0.437 0.000 0.822 751 A HN 0.418 nan 8.150 nan 0.000 0.443 752 S N -0.972 114.827 115.700 0.164 0.000 2.392 752 S HA -0.257 4.210 4.470 -0.005 0.000 0.232 752 S C 2.158 176.765 174.600 0.011 0.000 1.041 752 S CA 2.024 60.302 58.200 0.129 0.000 1.026 752 S CB -0.310 62.952 63.200 0.104 0.000 0.845 752 S HN 0.691 nan 8.310 nan 0.000 0.465 753 Q N -0.650 119.120 119.800 -0.050 0.000 2.178 753 Q HA 0.081 4.417 4.340 -0.005 0.000 0.195 753 Q C 2.385 178.092 176.000 -0.489 0.000 0.960 753 Q CA 1.134 56.846 55.803 -0.153 0.000 0.843 753 Q CB -0.251 28.479 28.738 -0.012 0.000 0.927 753 Q HN 0.439 nan 8.270 nan 0.000 0.487 754 V N 1.167 120.774 119.914 -0.512 0.000 2.307 754 V HA -0.198 3.919 4.120 -0.005 0.000 0.245 754 V C 2.191 177.917 176.094 -0.613 0.000 1.045 754 V CA 1.998 63.890 62.300 -0.681 0.000 1.024 754 V CB -0.697 30.880 31.823 -0.410 0.000 0.651 754 V HN 0.353 nan 8.190 nan 0.000 0.449 755 A N -0.981 121.478 122.820 -0.603 0.000 1.975 755 A HA 0.332 4.649 4.320 -0.005 0.000 0.215 755 A C 2.022 179.295 177.584 -0.518 0.000 1.170 755 A CA 1.391 52.986 52.037 -0.736 0.000 0.656 755 A CB -0.339 18.107 19.000 -0.924 0.000 0.821 755 A HN 1.280 nan 8.150 nan 0.000 0.449 756 G N -2.695 105.902 108.800 -0.339 0.000 2.144 756 G HA2 -0.254 3.703 3.960 -0.005 0.000 0.218 756 G HA3 -0.254 3.703 3.960 -0.005 0.000 0.218 756 G C 0.024 174.848 174.900 -0.126 0.000 0.988 756 G CA -0.002 44.969 45.100 -0.214 0.000 0.659 756 G HN 0.453 nan 8.290 nan 0.000 0.522 757 Y N 1.410 121.666 120.300 -0.074 0.000 2.597 757 Y HA 0.310 4.857 4.550 -0.005 0.000 0.336 757 Y C 1.468 177.373 175.900 0.009 0.000 1.216 757 Y CA 0.644 58.739 58.100 -0.008 0.000 1.463 757 Y CB 0.826 39.300 38.460 0.025 0.000 1.303 757 Y HN 0.226 nan 8.280 nan 0.000 0.576 758 S N 4.216 120.063 115.700 0.245 0.000 2.516 758 S HA -0.028 4.439 4.470 -0.005 0.000 0.282 758 S C 1.128 175.821 174.600 0.156 0.000 1.286 758 S CA -0.895 57.402 58.200 0.161 0.000 1.066 758 S CB 0.317 63.606 63.200 0.147 0.000 0.884 758 S HN 0.708 nan 8.310 nan 0.000 0.491 759 L N 6.654 127.959 121.223 0.137 0.000 2.064 759 L HA -0.095 4.242 4.340 -0.005 0.000 0.216 759 L C 2.366 179.300 176.870 0.107 0.000 1.077 759 L CA 2.587 57.504 54.840 0.128 0.000 0.766 759 L CB -1.909 40.242 42.059 0.153 0.000 0.890 759 L HN 0.978 nan 8.230 nan 0.000 0.435 760 G N -1.051 107.829 108.800 0.134 0.000 2.586 760 G HA2 -0.325 3.631 3.960 -0.005 0.000 0.218 760 G HA3 -0.325 3.631 3.960 -0.005 0.000 0.218 760 G C 1.397 176.316 174.900 0.032 0.000 1.216 760 G CA 0.885 46.043 45.100 0.097 0.000 0.786 760 G HN 0.555 nan 8.290 nan 0.000 0.583 761 E N 0.736 120.959 120.200 0.038 0.000 2.097 761 E HA -0.167 4.180 4.350 -0.005 0.000 0.196 761 E C 2.941 179.377 176.600 -0.273 0.000 1.000 761 E CA 0.803 57.170 56.400 -0.055 0.000 0.804 761 E CB -0.294 29.453 29.700 0.078 0.000 0.740 761 E HN 0.428 nan 8.360 nan 0.000 0.454 762 A N 1.775 124.466 122.820 -0.215 0.000 1.873 762 A HA -0.333 3.984 4.320 -0.005 0.000 0.218 762 A C 1.934 179.415 177.584 -0.172 0.000 1.193 762 A CA 2.187 54.076 52.037 -0.246 0.000 0.629 762 A CB -0.848 18.137 19.000 -0.025 0.000 0.826 762 A HN 0.313 nan 8.150 nan 0.000 0.447 763 D N -0.359 119.992 120.400 -0.081 0.000 2.127 763 D HA -0.203 4.434 4.640 -0.005 0.000 0.190 763 D C 1.782 178.027 176.300 -0.093 0.000 1.000 763 D CA 1.872 55.837 54.000 -0.059 0.000 0.839 763 D CB -0.303 40.480 40.800 -0.028 0.000 0.955 763 D HN 0.404 nan 8.370 nan 0.000 0.446 764 L N -0.466 120.696 121.223 -0.101 0.000 2.051 764 L HA -0.219 4.118 4.340 -0.005 0.000 0.214 764 L C 2.497 179.266 176.870 -0.167 0.000 1.076 764 L CA 0.733 55.516 54.840 -0.096 0.000 0.758 764 L CB -0.537 41.492 42.059 -0.050 0.000 0.890 764 L HN 0.243 nan 8.230 nan 0.000 0.433 765 L N -0.170 120.905 121.223 -0.246 0.000 1.955 765 L HA -0.264 4.073 4.340 -0.005 0.000 0.213 765 L C 2.811 179.560 176.870 -0.202 0.000 1.072 765 L CA 1.820 56.487 54.840 -0.287 0.000 0.755 765 L CB -0.621 41.284 42.059 -0.257 0.000 0.888 765 L HN 0.146 nan 8.230 nan 0.000 0.432 766 R N -0.670 119.746 120.500 -0.139 0.000 2.119 766 R HA -0.238 4.099 4.340 -0.005 0.000 0.246 766 R C 2.526 178.770 176.300 -0.093 0.000 1.146 766 R CA 1.946 57.988 56.100 -0.098 0.000 0.962 766 R CB -0.339 29.930 30.300 -0.052 0.000 0.863 766 R HN 0.367 nan 8.270 nan 0.000 0.442 767 R N -0.169 120.276 120.500 -0.091 0.000 2.080 767 R HA -0.134 4.203 4.340 -0.005 0.000 0.236 767 R C 2.056 178.305 176.300 -0.085 0.000 1.137 767 R CA 1.795 57.851 56.100 -0.073 0.000 0.943 767 R CB -0.345 29.918 30.300 -0.061 0.000 0.846 767 R HN 0.312 nan 8.270 nan 0.000 0.431 768 A N 0.369 123.116 122.820 -0.123 0.000 2.066 768 A HA -0.088 4.229 4.320 -0.005 0.000 0.218 768 A C 2.051 179.568 177.584 -0.111 0.000 1.157 768 A CA 1.110 53.073 52.037 -0.123 0.000 0.670 768 A CB -0.250 18.626 19.000 -0.207 0.000 0.804 768 A HN 0.351 nan 8.150 nan 0.000 0.453 769 M N -0.815 118.707 119.600 -0.130 0.000 2.419 769 M HA 0.046 4.523 4.480 -0.005 0.000 0.264 769 M C 2.124 178.366 176.300 -0.096 0.000 1.082 769 M CA 0.943 56.176 55.300 -0.112 0.000 1.119 769 M CB -0.212 32.295 32.600 -0.155 0.000 1.398 769 M HN 0.427 nan 8.290 nan 0.000 0.453 770 G N 0.797 109.543 108.800 -0.089 0.000 2.394 770 G HA2 -0.131 3.826 3.960 -0.005 0.000 0.215 770 G HA3 -0.131 3.826 3.960 -0.005 0.000 0.215 770 G C 1.659 176.516 174.900 -0.073 0.000 1.165 770 G CA 0.385 45.435 45.100 -0.083 0.000 0.784 770 G HN 0.340 nan 8.290 nan 0.000 0.535 771 K N 0.196 120.561 120.400 -0.058 0.000 2.439 771 K HA 0.037 4.354 4.320 -0.005 0.000 0.197 771 K C 0.533 177.112 176.600 -0.035 0.000 1.041 771 K CA 0.060 56.322 56.287 -0.042 0.000 0.970 771 K CB -0.004 32.480 32.500 -0.027 0.000 0.773 771 K HN 0.153 nan 8.250 nan 0.000 0.479 772 K N 0.999 121.375 120.400 -0.040 0.000 3.078 772 K HA -0.207 4.110 4.320 -0.005 0.000 0.261 772 K C -0.411 176.186 176.600 -0.004 0.000 0.947 772 K CA 0.316 56.587 56.287 -0.027 0.000 0.702 772 K CB -0.984 31.491 32.500 -0.041 0.000 1.318 772 K HN 0.188 nan 8.250 nan 0.000 0.473 773 R N 1.395 121.900 120.500 0.009 0.000 2.853 773 R HA 0.002 4.338 4.340 -0.005 0.000 0.238 773 R C 1.583 177.904 176.300 0.036 0.000 1.538 773 R CA 0.027 56.141 56.100 0.023 0.000 1.166 773 R CB -0.033 30.288 30.300 0.036 0.000 1.201 773 R HN 0.143 nan 8.270 nan 0.000 0.606 774 V N 2.247 122.176 119.914 0.024 0.000 2.408 774 V HA -0.449 3.668 4.120 -0.005 0.000 0.232 774 V C 1.511 177.629 176.094 0.041 0.000 1.032 774 V CA 2.479 64.795 62.300 0.027 0.000 1.099 774 V CB -0.436 31.398 31.823 0.018 0.000 0.912 774 V HN 0.747 nan 8.190 nan 0.000 0.483 775 E N -1.505 118.719 120.200 0.039 0.000 2.498 775 E HA 0.022 4.369 4.350 -0.005 0.000 0.203 775 E C 1.999 178.631 176.600 0.054 0.000 1.013 775 E CA 0.081 56.505 56.400 0.040 0.000 0.927 775 E CB 0.261 29.976 29.700 0.026 0.000 1.012 775 E HN 0.661 nan 8.360 nan 0.000 0.482 776 E N 0.830 121.073 120.200 0.072 0.000 2.427 776 E HA -0.085 4.262 4.350 -0.005 0.000 0.196 776 E C 1.672 178.388 176.600 0.192 0.000 1.028 776 E CA 0.395 56.859 56.400 0.107 0.000 0.864 776 E CB 0.246 30.011 29.700 0.109 0.000 0.813 776 E HN 0.220 nan 8.360 nan 0.000 0.514 777 M N 0.141 119.841 119.600 0.167 0.000 2.156 777 M HA -0.116 4.360 4.480 -0.005 0.000 0.264 777 M C 1.995 178.394 176.300 0.165 0.000 1.067 777 M CA 1.289 56.722 55.300 0.221 0.000 1.131 777 M CB -0.642 32.065 32.600 0.178 0.000 1.368 777 M HN 0.113 nan 8.290 nan 0.000 0.416 778 Q N -0.115 119.730 119.800 0.074 0.000 2.508 778 Q HA -0.145 4.191 4.340 -0.005 0.000 0.214 778 Q C 1.702 177.688 176.000 -0.023 0.000 0.979 778 Q CA 0.879 56.681 55.803 -0.002 0.000 0.911 778 Q CB 0.051 28.789 28.738 -0.001 0.000 0.969 778 Q HN 0.500 nan 8.270 nan 0.000 0.504 779 K N -0.814 119.591 120.400 0.008 0.000 2.137 779 K HA -0.048 4.269 4.320 -0.005 0.000 0.202 779 K C 1.780 178.322 176.600 -0.097 0.000 1.052 779 K CA 0.666 56.917 56.287 -0.060 0.000 0.961 779 K CB 0.085 32.529 32.500 -0.093 0.000 0.741 779 K HN 0.312 nan 8.250 nan 0.000 0.452 780 H N 0.707 119.805 119.070 0.047 0.000 2.333 780 H HA 0.036 4.589 4.556 -0.005 0.000 0.302 780 H C 2.180 177.479 175.328 -0.047 0.000 1.075 780 H CA 1.060 57.184 56.048 0.127 0.000 1.348 780 H CB 0.108 30.031 29.762 0.269 0.000 1.393 780 H HN 0.112 nan 8.280 nan 0.000 0.509 781 R N 0.622 120.939 120.500 -0.305 0.000 2.162 781 R HA -0.200 4.137 4.340 -0.005 0.000 0.245 781 R C 2.337 178.480 176.300 -0.262 0.000 1.129 781 R CA 1.725 57.371 56.100 -0.756 0.000 0.940 781 R CB -0.152 29.779 30.300 -0.616 0.000 0.875 781 R HN 0.354 nan 8.270 nan 0.000 0.437 782 E N 0.537 120.655 120.200 -0.136 0.000 2.012 782 E HA -0.246 4.101 4.350 -0.005 0.000 0.197 782 E C 1.939 178.518 176.600 -0.034 0.000 1.007 782 E CA 1.514 57.872 56.400 -0.070 0.000 0.816 782 E CB -0.185 29.479 29.700 -0.061 0.000 0.762 782 E HN 0.074 nan 8.360 nan 0.000 0.451 783 R N -0.098 120.390 120.500 -0.021 0.000 2.139 783 R HA -0.171 4.166 4.340 -0.005 0.000 0.243 783 R C 2.264 178.520 176.300 -0.074 0.000 1.145 783 R CA 1.472 57.551 56.100 -0.036 0.000 0.976 783 R CB -0.946 29.361 30.300 0.011 0.000 0.866 783 R HN 0.212 nan 8.270 nan 0.000 0.449 784 F N -0.386 119.492 119.950 -0.120 0.000 1.990 784 F HA -0.194 4.330 4.527 -0.005 0.000 0.294 784 F C 2.111 177.836 175.800 -0.125 0.000 1.177 784 F CA 2.095 60.033 58.000 -0.103 0.000 1.167 784 F CB -0.801 38.198 39.000 -0.001 0.000 0.971 784 F HN -0.151 nan 8.300 nan 0.000 0.483 785 V N 1.226 121.263 119.914 0.205 0.000 2.250 785 V HA -0.425 3.692 4.120 -0.005 0.000 0.253 785 V C 2.538 178.599 176.094 -0.055 0.000 1.065 785 V CA 2.539 64.888 62.300 0.082 0.000 1.039 785 V CB -0.910 30.953 31.823 0.066 0.000 0.647 785 V HN 0.403 nan 8.190 nan 0.000 0.446 786 R N -0.006 120.454 120.500 -0.067 0.000 2.133 786 R HA -0.196 4.141 4.340 -0.005 0.000 0.247 786 R C 2.221 178.442 176.300 -0.132 0.000 1.151 786 R CA 1.999 58.046 56.100 -0.088 0.000 0.971 786 R CB -0.626 29.626 30.300 -0.080 0.000 0.866 786 R HN 0.599 nan 8.270 nan 0.000 0.447 787 G N -0.840 107.835 108.800 -0.208 0.000 2.426 787 G HA2 -0.092 3.865 3.960 -0.005 0.000 0.214 787 G HA3 -0.092 3.865 3.960 -0.005 0.000 0.214 787 G C 1.464 176.202 174.900 -0.269 0.000 1.156 787 G CA 0.430 45.375 45.100 -0.258 0.000 0.802 787 G HN 0.434 nan 8.290 nan 0.000 0.534 788 A N 0.998 123.629 122.820 -0.316 0.000 1.908 788 A HA -0.040 4.277 4.320 -0.005 0.000 0.218 788 A C 2.238 179.732 177.584 -0.150 0.000 1.181 788 A CA 2.008 53.877 52.037 -0.280 0.000 0.627 788 A CB -0.377 18.478 19.000 -0.241 0.000 0.818 788 A HN 0.341 nan 8.150 nan 0.000 0.445 789 K N -0.798 119.536 120.400 -0.109 0.000 1.978 789 K HA -0.210 4.107 4.320 -0.005 0.000 0.214 789 K C 2.041 178.596 176.600 -0.076 0.000 1.049 789 K CA 1.774 58.014 56.287 -0.078 0.000 0.939 789 K CB -0.252 32.210 32.500 -0.063 0.000 0.721 789 K HN 0.616 nan 8.250 nan 0.000 0.441 790 E N 0.062 120.210 120.200 -0.086 0.000 2.393 790 E HA -0.198 4.149 4.350 -0.005 0.000 0.201 790 E C 1.672 178.237 176.600 -0.058 0.000 1.025 790 E CA 0.945 57.303 56.400 -0.070 0.000 0.856 790 E CB 0.294 29.945 29.700 -0.082 0.000 0.771 790 E HN 0.157 nan 8.360 nan 0.000 0.526 791 R N -2.248 118.207 120.500 -0.075 0.000 2.191 791 R HA 0.239 4.576 4.340 -0.005 0.000 0.196 791 R C 1.445 177.777 176.300 0.053 0.000 0.991 791 R CA 1.011 57.090 56.100 -0.034 0.000 1.075 791 R CB 1.002 31.209 30.300 -0.156 0.000 1.040 791 R HN 0.232 nan 8.270 nan 0.000 0.526 792 G N 0.766 109.576 108.800 0.016 0.000 4.166 792 G HA2 -0.045 3.912 3.960 -0.005 0.000 0.115 792 G HA3 -0.045 3.912 3.960 -0.005 0.000 0.115 792 G C -0.224 174.653 174.900 -0.038 0.000 1.297 792 G CA -0.002 45.138 45.100 0.066 0.000 1.045 792 G HN 0.091 nan 8.290 nan 0.000 0.346 793 V N 1.181 121.097 119.914 0.002 0.000 2.752 793 V HA 0.413 4.529 4.120 -0.005 0.000 0.306 793 V C -1.730 174.313 176.094 -0.084 0.000 1.099 793 V CA -0.279 62.006 62.300 -0.026 0.000 1.240 793 V CB 0.804 32.687 31.823 0.100 0.000 0.887 793 V HN 0.383 nan 8.190 nan 0.000 0.499 794 P HA 0.201 nan 4.420 nan 0.000 0.227 794 P C 0.561 177.857 177.300 -0.006 0.000 1.801 794 P CA 0.512 63.559 63.100 -0.088 0.000 0.971 794 P CB 0.020 31.641 31.700 -0.132 0.000 1.653 795 E N 0.034 120.253 120.200 0.032 0.000 4.908 795 E HA -0.404 3.943 4.350 -0.005 0.000 0.164 795 E C 1.193 177.849 176.600 0.093 0.000 1.196 795 E CA 1.642 58.081 56.400 0.065 0.000 2.347 795 E CB -2.021 27.700 29.700 0.034 0.000 1.786 795 E HN 0.158 nan 8.360 nan 0.000 0.456 796 E N 1.531 121.780 120.200 0.082 0.000 2.085 796 E HA -0.195 4.152 4.350 -0.005 0.000 0.194 796 E C 1.787 178.482 176.600 0.158 0.000 0.994 796 E CA 2.423 58.884 56.400 0.100 0.000 0.801 796 E CB -0.207 29.541 29.700 0.081 0.000 0.743 796 E HN 0.696 nan 8.360 nan 0.000 0.453 797 E N -0.123 120.192 120.200 0.192 0.000 2.046 797 E HA -0.087 4.259 4.350 -0.005 0.000 0.190 797 E C 2.091 178.877 176.600 0.310 0.000 0.982 797 E CA 0.872 57.459 56.400 0.312 0.000 0.800 797 E CB -0.293 29.609 29.700 0.338 0.000 0.756 797 E HN 0.386 nan 8.360 nan 0.000 0.449 798 A N 2.214 125.179 122.820 0.240 0.000 1.859 798 A HA -0.310 4.007 4.320 -0.005 0.000 0.218 798 A C 1.906 179.645 177.584 0.260 0.000 1.209 798 A CA 2.050 54.266 52.037 0.299 0.000 0.639 798 A CB -0.878 18.279 19.000 0.262 0.000 0.835 798 A HN 0.171 nan 8.150 nan 0.000 0.450 799 N N -0.540 118.267 118.700 0.178 0.000 2.021 799 N HA -0.211 4.526 4.740 -0.005 0.000 0.198 799 N C 1.852 177.465 175.510 0.172 0.000 1.041 799 N CA 1.870 54.996 53.050 0.127 0.000 0.862 799 N CB -0.519 38.022 38.487 0.091 0.000 1.048 799 N HN 0.566 nan 8.380 nan 0.000 0.427 800 R N 0.247 120.873 120.500 0.210 0.000 2.152 800 R HA -0.041 4.296 4.340 -0.005 0.000 0.232 800 R C 2.149 178.629 176.300 0.299 0.000 1.117 800 R CA 0.562 56.819 56.100 0.261 0.000 0.981 800 R CB -0.246 30.232 30.300 0.297 0.000 0.870 800 R HN 0.154 nan 8.270 nan 0.000 0.451 801 L N -0.385 120.973 121.223 0.226 0.000 2.027 801 L HA -0.086 4.250 4.340 -0.005 0.000 0.206 801 L C 1.835 178.643 176.870 -0.104 0.000 1.074 801 L CA 1.592 56.373 54.840 -0.099 0.000 0.745 801 L CB -0.518 41.461 42.059 -0.134 0.000 0.898 801 L HN 0.103 nan 8.230 nan 0.000 0.433 802 F N 0.393 120.155 119.950 -0.314 0.000 2.134 802 F HA -0.236 4.288 4.527 -0.005 0.000 0.299 802 F C 2.242 177.906 175.800 -0.227 0.000 1.097 802 F CA 1.911 59.575 58.000 -0.560 0.000 1.264 802 F CB -0.344 38.202 39.000 -0.757 0.000 1.001 802 F HN 0.191 nan 8.300 nan 0.000 0.479 803 D N 0.161 120.618 120.400 0.096 0.000 2.133 803 D HA -0.275 4.362 4.640 -0.005 0.000 0.195 803 D C 2.379 178.699 176.300 0.034 0.000 0.997 803 D CA 1.596 55.641 54.000 0.074 0.000 0.840 803 D CB -0.405 40.480 40.800 0.141 0.000 0.947 803 D HN 0.336 nan 8.370 nan 0.000 0.452 804 M N 0.201 119.850 119.600 0.081 0.000 2.159 804 M HA -0.141 4.336 4.480 -0.005 0.000 0.263 804 M C 2.062 178.446 176.300 0.140 0.000 1.063 804 M CA 0.905 56.318 55.300 0.189 0.000 1.110 804 M CB 0.017 32.727 32.600 0.183 0.000 1.374 804 M HN 0.023 nan 8.290 nan 0.000 0.411 805 L N 0.051 121.209 121.223 -0.107 0.000 1.988 805 L HA -0.220 4.117 4.340 -0.005 0.000 0.207 805 L C 2.321 179.086 176.870 -0.175 0.000 1.071 805 L CA 2.012 56.751 54.840 -0.169 0.000 0.744 805 L CB -1.256 40.593 42.059 -0.350 0.000 0.893 805 L HN 0.416 nan 8.230 nan 0.000 0.433 806 E N 0.773 120.759 120.200 -0.357 0.000 2.331 806 E HA -0.186 4.160 4.350 -0.005 0.000 0.199 806 E C 1.954 178.497 176.600 -0.094 0.000 1.008 806 E CA 1.090 57.337 56.400 -0.255 0.000 0.843 806 E CB -0.116 29.413 29.700 -0.284 0.000 0.761 806 E HN 0.444 nan 8.360 nan 0.000 0.507 807 A N 0.730 123.536 122.820 -0.024 0.000 1.898 807 A HA 0.056 4.373 4.320 -0.005 0.000 0.214 807 A C 1.694 179.265 177.584 -0.022 0.000 1.183 807 A CA 0.677 52.704 52.037 -0.016 0.000 0.622 807 A CB -0.518 18.473 19.000 -0.016 0.000 0.824 807 A HN 0.296 nan 8.150 nan 0.000 0.444 808 F N -0.244 119.728 119.950 0.036 0.000 2.473 808 F HA 0.188 4.712 4.527 -0.005 0.000 0.294 808 F C 2.590 178.429 175.800 0.066 0.000 1.103 808 F CA 0.618 58.662 58.000 0.073 0.000 1.442 808 F CB 0.006 39.012 39.000 0.011 0.000 1.097 808 F HN 0.240 nan 8.300 nan 0.000 0.547 809 A N -0.108 122.800 122.820 0.146 0.000 2.015 809 A HA -0.160 4.157 4.320 -0.005 0.000 0.219 809 A C 2.021 179.607 177.584 0.003 0.000 1.163 809 A CA 1.480 53.551 52.037 0.057 0.000 0.646 809 A CB -0.586 18.394 19.000 -0.034 0.000 0.806 809 A HN 0.273 nan 8.150 nan 0.000 0.448 810 N N -1.650 117.004 118.700 -0.077 0.000 2.396 810 N HA -0.064 4.673 4.740 -0.005 0.000 0.180 810 N C 0.931 176.226 175.510 -0.359 0.000 1.028 810 N CA 1.238 54.124 53.050 -0.274 0.000 0.893 810 N CB -0.224 37.988 38.487 -0.458 0.000 0.967 810 N HN 0.727 nan 8.380 nan 0.000 0.440 811 Y N -0.420 119.906 120.300 0.043 0.000 2.581 811 Y HA 0.314 4.861 4.550 -0.005 0.000 0.271 811 Y C 1.708 177.677 175.900 0.115 0.000 1.100 811 Y CA -0.301 57.832 58.100 0.056 0.000 1.281 811 Y CB -0.231 38.254 38.460 0.041 0.000 1.237 811 Y HN -0.155 nan 8.280 nan 0.000 0.514 812 G N 0.881 109.858 108.800 0.295 0.000 2.670 812 G HA2 0.026 3.982 3.960 -0.005 0.000 0.233 812 G HA3 0.026 3.982 3.960 -0.005 0.000 0.233 812 G C -0.959 174.162 174.900 0.368 0.000 1.251 812 G CA 0.082 45.355 45.100 0.289 0.000 0.849 812 G HN 0.071 nan 8.290 nan 0.000 0.588 813 F N -0.158 119.898 119.950 0.177 0.000 2.594 813 F HA 0.425 4.949 4.527 -0.005 0.000 0.335 813 F C 0.344 176.268 175.800 0.207 0.000 1.058 813 F CA -1.950 56.164 58.000 0.190 0.000 0.981 813 F CB 1.824 40.949 39.000 0.209 0.000 1.289 813 F HN 0.502 nan 8.300 nan 0.000 0.490 814 N N 3.179 121.530 118.700 -0.582 0.000 2.415 814 N HA 0.074 4.810 4.740 -0.005 0.000 0.246 814 N C 0.776 175.993 175.510 -0.488 0.000 1.078 814 N CA -0.041 52.742 53.050 -0.444 0.000 0.942 814 N CB 0.695 38.934 38.487 -0.414 0.000 1.140 814 N HN 0.688 nan 8.380 nan 0.000 0.501 815 K N 2.270 122.486 120.400 -0.306 0.000 2.057 815 K HA -0.114 4.203 4.320 -0.005 0.000 0.206 815 K C 1.532 177.924 176.600 -0.348 0.000 1.050 815 K CA 1.109 57.074 56.287 -0.536 0.000 0.935 815 K CB 0.087 32.102 32.500 -0.809 0.000 0.715 815 K HN 0.504 nan 8.250 nan 0.000 0.439 816 S N 0.201 115.771 115.700 -0.216 0.000 2.401 816 S HA -0.291 4.176 4.470 -0.005 0.000 0.236 816 S C 1.801 176.343 174.600 -0.097 0.000 1.058 816 S CA 1.909 60.030 58.200 -0.132 0.000 1.151 816 S CB -0.897 62.254 63.200 -0.081 0.000 1.049 816 S HN 0.544 nan 8.310 nan 0.000 0.432 817 H N 1.173 120.097 119.070 -0.242 0.000 2.293 817 H HA -0.065 4.487 4.556 -0.005 0.000 0.300 817 H C 2.414 177.643 175.328 -0.165 0.000 1.082 817 H CA 1.127 57.048 56.048 -0.211 0.000 1.308 817 H CB -0.353 29.219 29.762 -0.317 0.000 1.375 817 H HN 0.398 nan 8.280 nan 0.000 0.495 818 A N 1.487 124.110 122.820 -0.329 0.000 1.869 818 A HA -0.268 4.049 4.320 -0.005 0.000 0.218 818 A C 2.655 180.145 177.584 -0.156 0.000 1.203 818 A CA 2.398 54.307 52.037 -0.213 0.000 0.638 818 A CB -1.453 17.517 19.000 -0.050 0.000 0.831 818 A HN 0.634 nan 8.150 nan 0.000 0.450 819 A N -0.571 122.100 122.820 -0.248 0.000 1.933 819 A HA 0.146 4.462 4.320 -0.005 0.000 0.218 819 A C 2.527 179.985 177.584 -0.209 0.000 1.175 819 A CA 2.361 54.199 52.037 -0.331 0.000 0.628 819 A CB -1.163 17.512 19.000 -0.542 0.000 0.814 819 A HN 1.238 nan 8.150 nan 0.000 0.444 820 A N -0.894 121.875 122.820 -0.086 0.000 1.849 820 A HA -0.179 4.137 4.320 -0.005 0.000 0.217 820 A C 2.100 179.749 177.584 0.109 0.000 1.202 820 A CA 1.909 53.962 52.037 0.028 0.000 0.629 820 A CB -1.083 18.018 19.000 0.168 0.000 0.834 820 A HN 0.556 nan 8.150 nan 0.000 0.447 821 Y N 1.063 121.363 120.300 0.000 0.000 2.145 821 Y HA -0.191 4.356 4.550 -0.006 0.000 0.286 821 Y C 3.106 179.102 175.900 0.160 0.000 1.145 821 Y CA 1.175 59.360 58.100 0.142 0.000 1.148 821 Y CB -0.879 37.684 38.460 0.172 0.000 0.981 821 Y HN 0.332 nan 8.280 nan 0.000 0.507 822 S N 0.535 116.352 115.700 0.196 0.000 2.390 822 S HA -0.325 4.142 4.470 -0.005 0.000 0.234 822 S C 2.160 176.841 174.600 0.135 0.000 1.063 822 S CA 1.762 60.037 58.200 0.125 0.000 1.108 822 S CB -1.115 62.090 63.200 0.010 0.000 0.975 822 S HN 0.478 nan 8.310 nan 0.000 0.442 823 L N 0.919 122.164 121.223 0.037 0.000 2.064 823 L HA -0.230 4.106 4.340 -0.005 0.000 0.216 823 L C 2.269 179.196 176.870 0.095 0.000 1.077 823 L CA 1.560 56.416 54.840 0.028 0.000 0.766 823 L CB -0.326 41.705 42.059 -0.047 0.000 0.890 823 L HN 0.359 nan 8.230 nan 0.000 0.435 824 L N -1.606 119.651 121.223 0.057 0.000 2.027 824 L HA -0.221 4.116 4.340 -0.005 0.000 0.206 824 L C 2.636 179.593 176.870 0.144 0.000 1.074 824 L CA 1.400 56.225 54.840 -0.025 0.000 0.745 824 L CB -0.547 41.337 42.059 -0.292 0.000 0.898 824 L HN 0.226 nan 8.230 nan 0.000 0.433 825 S N -0.814 115.106 115.700 0.366 0.000 2.368 825 S HA -0.297 4.169 4.470 -0.005 0.000 0.226 825 S C 1.803 176.531 174.600 0.214 0.000 1.044 825 S CA 1.816 60.216 58.200 0.333 0.000 1.062 825 S CB -0.592 62.761 63.200 0.254 0.000 0.931 825 S HN 0.376 nan 8.310 nan 0.000 0.440 826 Y N 2.213 122.562 120.300 0.082 0.000 2.030 826 Y HA -0.310 4.237 4.550 -0.005 0.000 0.274 826 Y C 2.592 178.525 175.900 0.054 0.000 1.153 826 Y CA 2.161 60.275 58.100 0.024 0.000 1.115 826 Y CB -0.737 37.725 38.460 0.003 0.000 0.969 826 Y HN 0.273 nan 8.280 nan 0.000 0.488 827 Q N -0.867 119.067 119.800 0.223 0.000 2.118 827 Q HA -0.266 4.071 4.340 -0.005 0.000 0.211 827 Q C 2.089 178.163 176.000 0.123 0.000 0.998 827 Q CA 2.678 58.553 55.803 0.120 0.000 0.872 827 Q CB -0.478 28.211 28.738 -0.083 0.000 0.925 827 Q HN 0.538 nan 8.270 nan 0.000 0.414 828 T N 0.739 115.366 114.554 0.122 0.000 2.643 828 T HA -0.158 4.189 4.350 -0.005 0.000 0.264 828 T C 1.928 176.740 174.700 0.187 0.000 1.045 828 T CA 1.321 63.567 62.100 0.244 0.000 1.155 828 T CB -0.484 68.533 68.868 0.249 0.000 0.863 828 T HN 0.444 nan 8.240 nan 0.000 0.420 829 A N 0.925 123.767 122.820 0.037 0.000 1.892 829 A HA -0.184 4.133 4.320 -0.005 0.000 0.218 829 A C 2.099 179.588 177.584 -0.158 0.000 1.188 829 A CA 2.086 54.057 52.037 -0.110 0.000 0.631 829 A CB -1.319 17.591 19.000 -0.150 0.000 0.822 829 A HN 0.581 nan 8.150 nan 0.000 0.447 830 Y N 0.782 120.893 120.300 -0.315 0.000 2.069 830 Y HA -0.281 4.266 4.550 -0.005 0.000 0.278 830 Y C 2.400 178.280 175.900 -0.033 0.000 1.175 830 Y CA 2.148 60.100 58.100 -0.246 0.000 1.134 830 Y CB -0.646 37.635 38.460 -0.299 0.000 0.965 830 Y HN 0.077 nan 8.280 nan 0.000 0.498 831 V N 0.841 120.801 119.914 0.077 0.000 2.255 831 V HA -0.360 3.757 4.120 -0.005 0.000 0.247 831 V C 2.437 178.510 176.094 -0.035 0.000 1.051 831 V CA 2.481 64.867 62.300 0.143 0.000 1.018 831 V CB -0.863 31.220 31.823 0.433 0.000 0.641 831 V HN 0.423 nan 8.190 nan 0.000 0.445 832 K N 0.242 120.452 120.400 -0.318 0.000 2.160 832 K HA -0.216 4.101 4.320 -0.005 0.000 0.206 832 K C 2.015 178.310 176.600 -0.508 0.000 1.047 832 K CA 1.744 57.467 56.287 -0.940 0.000 0.930 832 K CB -0.291 31.346 32.500 -1.438 0.000 0.720 832 K HN 0.453 nan 8.250 nan 0.000 0.450 833 A N 0.110 122.691 122.820 -0.399 0.000 1.874 833 A HA -0.093 4.224 4.320 -0.005 0.000 0.214 833 A C 1.867 179.158 177.584 -0.488 0.000 1.189 833 A CA 1.131 52.931 52.037 -0.395 0.000 0.615 833 A CB -0.551 18.233 19.000 -0.359 0.000 0.830 833 A HN 0.389 nan 8.150 nan 0.000 0.443 834 H N -3.147 115.591 119.070 -0.553 0.000 2.520 834 H HA 0.133 4.686 4.556 -0.005 0.000 0.279 834 H C -0.313 174.490 175.328 -0.876 0.000 0.990 834 H CA 0.851 56.436 56.048 -0.771 0.000 1.288 834 H CB 0.295 29.392 29.762 -1.108 0.000 1.446 834 H HN 0.574 nan 8.280 nan 0.000 0.538 835 Y N 0.942 121.187 120.300 -0.091 0.000 2.511 835 Y HA 0.205 4.752 4.550 -0.005 0.000 0.356 835 Y C -1.792 174.110 175.900 0.003 0.000 1.002 835 Y CA -1.834 56.246 58.100 -0.034 0.000 1.127 835 Y CB 1.298 39.752 38.460 -0.010 0.000 1.137 835 Y HN 0.093 nan 8.280 nan 0.000 0.652 836 P HA -0.111 nan 4.420 nan 0.000 0.225 836 P C 1.224 178.597 177.300 0.122 0.000 1.156 836 P CA 1.004 64.114 63.100 0.016 0.000 0.787 836 P CB 0.662 32.316 31.700 -0.077 0.000 0.802 837 V N 2.255 122.233 119.914 0.107 0.000 2.273 837 V HA -0.169 3.948 4.120 -0.005 0.000 0.242 837 V C 2.861 179.008 176.094 0.088 0.000 1.035 837 V CA 1.993 64.343 62.300 0.083 0.000 1.013 837 V CB -1.321 30.537 31.823 0.058 0.000 0.652 837 V HN 0.146 nan 8.190 nan 0.000 0.452 838 E N 0.662 120.918 120.200 0.095 0.000 2.085 838 E HA -0.294 4.053 4.350 -0.005 0.000 0.194 838 E C 2.181 178.805 176.600 0.040 0.000 0.994 838 E CA 1.693 58.115 56.400 0.037 0.000 0.801 838 E CB -0.938 28.764 29.700 0.004 0.000 0.743 838 E HN 0.510 nan 8.360 nan 0.000 0.453 839 F N 1.867 121.813 119.950 -0.007 0.000 2.037 839 F HA -0.347 4.177 4.527 -0.005 0.000 0.296 839 F C 2.738 178.551 175.800 0.022 0.000 1.132 839 F CA 2.753 60.772 58.000 0.031 0.000 1.211 839 F CB -0.451 38.597 39.000 0.080 0.000 0.951 839 F HN 0.013 nan 8.300 nan 0.000 0.503 840 M N 0.433 120.110 119.600 0.129 0.000 2.144 840 M HA -0.156 4.321 4.480 -0.005 0.000 0.260 840 M C 2.135 178.307 176.300 -0.213 0.000 1.067 840 M CA 2.033 57.293 55.300 -0.067 0.000 1.095 840 M CB -0.707 31.897 32.600 0.007 0.000 1.365 840 M HN 0.305 nan 8.290 nan 0.000 0.406 841 A N -0.367 122.347 122.820 -0.177 0.000 1.858 841 A HA -0.007 4.310 4.320 -0.005 0.000 0.216 841 A C 2.368 179.750 177.584 -0.337 0.000 1.190 841 A CA 2.045 53.916 52.037 -0.276 0.000 0.617 841 A CB -1.511 17.413 19.000 -0.127 0.000 0.827 841 A HN 0.618 nan 8.150 nan 0.000 0.443 842 A N -0.387 122.269 122.820 -0.273 0.000 1.948 842 A HA -0.136 4.181 4.320 -0.005 0.000 0.220 842 A C 2.209 179.699 177.584 -0.158 0.000 1.177 842 A CA 1.689 53.533 52.037 -0.322 0.000 0.636 842 A CB -0.667 17.951 19.000 -0.636 0.000 0.815 842 A HN 0.494 nan 8.150 nan 0.000 0.449 843 L N -0.988 120.182 121.223 -0.089 0.000 1.970 843 L HA -0.222 4.115 4.340 -0.005 0.000 0.212 843 L C 2.684 179.545 176.870 -0.014 0.000 1.071 843 L CA 1.597 56.376 54.840 -0.100 0.000 0.751 843 L CB -0.549 41.113 42.059 -0.661 0.000 0.889 843 L HN 0.408 nan 8.230 nan 0.000 0.432 844 L N -1.025 120.065 121.223 -0.222 0.000 1.990 844 L HA -0.303 4.033 4.340 -0.005 0.000 0.213 844 L C 2.869 179.424 176.870 -0.525 0.000 1.072 844 L CA 1.702 56.312 54.840 -0.384 0.000 0.755 844 L CB -0.680 40.777 42.059 -1.003 0.000 0.889 844 L HN 0.328 nan 8.230 nan 0.000 0.432 845 S N -0.437 114.858 115.700 -0.675 0.000 2.368 845 S HA -0.225 4.242 4.470 -0.005 0.000 0.226 845 S C 2.002 176.599 174.600 -0.006 0.000 1.044 845 S CA 1.926 60.027 58.200 -0.165 0.000 1.062 845 S CB -0.395 62.780 63.200 -0.042 0.000 0.931 845 S HN 0.189 nan 8.310 nan 0.000 0.440 846 V N 1.891 121.813 119.914 0.014 0.000 2.332 846 V HA -0.113 4.004 4.120 -0.005 0.000 0.248 846 V C 1.721 177.866 176.094 0.086 0.000 1.055 846 V CA 2.130 64.482 62.300 0.086 0.000 1.038 846 V CB -0.569 31.357 31.823 0.173 0.000 0.651 846 V HN 0.609 nan 8.190 nan 0.000 0.450 847 E N -0.047 120.204 120.200 0.085 0.000 2.499 847 E HA 0.058 4.404 4.350 -0.005 0.000 0.207 847 E C 1.625 178.237 176.600 0.020 0.000 1.034 847 E CA -0.280 56.150 56.400 0.050 0.000 1.098 847 E CB 0.003 29.701 29.700 -0.004 0.000 1.148 847 E HN 0.654 nan 8.360 nan 0.000 0.447 848 R N 0.378 120.886 120.500 0.014 0.000 2.341 848 R HA -0.101 4.236 4.340 -0.005 0.000 0.213 848 R C 0.600 176.885 176.300 -0.026 0.000 1.082 848 R CA 0.978 57.112 56.100 0.058 0.000 1.017 848 R CB -0.246 30.159 30.300 0.175 0.000 0.860 848 R HN 0.144 nan 8.270 nan 0.000 0.473 849 H N 0.390 119.514 119.070 0.091 0.000 2.568 849 H HA 0.233 4.786 4.556 -0.005 0.000 0.302 849 H C -0.734 174.612 175.328 0.031 0.000 1.065 849 H CA -0.192 55.892 56.048 0.061 0.000 1.140 849 H CB 0.144 29.940 29.762 0.057 0.000 1.474 849 H HN 0.247 nan 8.280 nan 0.000 0.545 850 D N -0.093 120.370 120.400 0.106 0.000 2.375 850 D HA 0.101 4.738 4.640 -0.005 0.000 0.259 850 D C 0.710 177.024 176.300 0.023 0.000 1.235 850 D CA -0.129 53.894 54.000 0.038 0.000 0.924 850 D CB 1.019 41.805 40.800 -0.024 0.000 1.143 850 D HN -0.018 nan 8.370 nan 0.000 0.529 851 S N 1.953 117.678 115.700 0.042 0.000 2.389 851 S HA -0.230 4.237 4.470 -0.005 0.000 0.231 851 S C 1.182 175.797 174.600 0.025 0.000 1.052 851 S CA 1.367 59.589 58.200 0.037 0.000 1.053 851 S CB 0.139 63.353 63.200 0.022 0.000 0.886 851 S HN 0.541 nan 8.310 nan 0.000 0.456 852 D N 0.800 121.202 120.400 0.003 0.000 2.077 852 D HA -0.013 4.624 4.640 -0.005 0.000 0.196 852 D C 2.162 178.426 176.300 -0.061 0.000 0.986 852 D CA 0.908 54.901 54.000 -0.011 0.000 0.829 852 D CB -0.195 40.594 40.800 -0.017 0.000 0.983 852 D HN 0.171 nan 8.370 nan 0.000 0.453 853 K N 0.586 120.903 120.400 -0.138 0.000 2.063 853 K HA -0.094 4.223 4.320 -0.005 0.000 0.208 853 K C 2.228 178.614 176.600 -0.357 0.000 1.048 853 K CA 0.556 56.638 56.287 -0.342 0.000 0.928 853 K CB -0.644 31.578 32.500 -0.464 0.000 0.713 853 K HN 0.094 nan 8.250 nan 0.000 0.442 854 V N 1.646 121.468 119.914 -0.153 0.000 2.255 854 V HA -0.304 3.813 4.120 -0.005 0.000 0.247 854 V C 2.559 178.697 176.094 0.073 0.000 1.051 854 V CA 2.113 64.416 62.300 0.004 0.000 1.018 854 V CB -1.002 30.908 31.823 0.145 0.000 0.641 854 V HN 0.338 nan 8.190 nan 0.000 0.445 855 A N -0.353 122.514 122.820 0.079 0.000 1.884 855 A HA -0.361 3.956 4.320 -0.005 0.000 0.219 855 A C 2.286 179.928 177.584 0.097 0.000 1.197 855 A CA 2.534 54.639 52.037 0.114 0.000 0.637 855 A CB -0.728 18.339 19.000 0.113 0.000 0.827 855 A HN 0.674 nan 8.150 nan 0.000 0.450 856 E N -1.120 119.105 120.200 0.042 0.000 2.013 856 E HA -0.249 4.098 4.350 -0.005 0.000 0.202 856 E C 1.942 178.644 176.600 0.171 0.000 1.018 856 E CA 1.721 58.159 56.400 0.063 0.000 0.834 856 E CB -0.447 29.250 29.700 -0.006 0.000 0.770 856 E HN 0.776 nan 8.360 nan 0.000 0.459 857 Y N 0.284 120.590 120.300 0.010 0.000 2.139 857 Y HA -0.273 4.274 4.550 -0.004 0.000 0.282 857 Y C 2.575 178.471 175.900 -0.007 0.000 1.179 857 Y CA 0.642 58.732 58.100 -0.017 0.000 1.161 857 Y CB -0.147 38.272 38.460 -0.069 0.000 0.970 857 Y HN 0.186 nan 8.280 nan 0.000 0.511 858 I N 0.509 121.190 120.570 0.184 0.000 2.091 858 I HA -0.407 3.760 4.170 -0.005 0.000 0.239 858 I C 2.681 178.863 176.117 0.109 0.000 1.061 858 I CA 2.015 63.392 61.300 0.127 0.000 1.317 858 I CB -0.368 37.724 38.000 0.153 0.000 1.031 858 I HN 0.240 nan 8.210 nan 0.000 0.401 859 R N 0.633 121.200 120.500 0.112 0.000 2.120 859 R HA -0.193 4.144 4.340 -0.005 0.000 0.234 859 R C 1.596 177.940 176.300 0.072 0.000 1.123 859 R CA 1.897 58.047 56.100 0.085 0.000 0.975 859 R CB -0.655 29.690 30.300 0.075 0.000 0.866 859 R HN 0.308 nan 8.270 nan 0.000 0.446 860 D N 1.447 121.900 120.400 0.088 0.000 2.084 860 D HA -0.099 4.538 4.640 -0.005 0.000 0.194 860 D C 2.004 178.331 176.300 0.045 0.000 0.990 860 D CA 1.985 56.025 54.000 0.067 0.000 0.826 860 D CB -0.332 40.516 40.800 0.079 0.000 0.971 860 D HN 0.440 nan 8.370 nan 0.000 0.453 861 A N 1.007 123.854 122.820 0.045 0.000 2.015 861 A HA -0.131 4.186 4.320 -0.005 0.000 0.219 861 A C 2.128 179.732 177.584 0.034 0.000 1.163 861 A CA 0.872 52.928 52.037 0.031 0.000 0.646 861 A CB -0.143 18.868 19.000 0.019 0.000 0.806 861 A HN -0.001 nan 8.150 nan 0.000 0.448 862 R N 0.069 120.596 120.500 0.045 0.000 2.070 862 R HA -0.059 4.278 4.340 -0.005 0.000 0.232 862 R C 1.736 178.055 176.300 0.032 0.000 1.138 862 R CA 1.458 57.584 56.100 0.044 0.000 0.936 862 R CB -1.287 29.045 30.300 0.055 0.000 0.839 862 R HN 0.426 nan 8.270 nan 0.000 0.429 863 A N 0.847 123.685 122.820 0.031 0.000 2.728 863 A HA 0.160 4.476 4.320 -0.005 0.000 0.258 863 A C 0.912 178.506 177.584 0.017 0.000 1.454 863 A CA 0.078 52.128 52.037 0.022 0.000 1.146 863 A CB -0.354 18.658 19.000 0.021 0.000 0.985 863 A HN 0.182 nan 8.150 nan 0.000 0.603 864 L N -1.806 119.426 121.223 0.015 0.000 3.298 864 L HA 0.415 4.752 4.340 -0.005 0.000 0.296 864 L C 1.301 178.173 176.870 0.004 0.000 1.237 864 L CA 1.191 56.035 54.840 0.007 0.000 1.038 864 L CB 0.390 42.454 42.059 0.008 0.000 1.423 864 L HN 0.664 nan 8.230 nan 0.000 0.605 865 G N 0.292 109.097 108.800 0.008 0.000 2.225 865 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.254 865 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.254 865 G C 0.436 175.343 174.900 0.011 0.000 0.988 865 G CA 0.326 45.430 45.100 0.007 0.000 0.625 865 G HN 0.286 nan 8.290 nan 0.000 0.527 866 I N 3.101 123.680 120.570 0.015 0.000 2.342 866 I HA 0.387 4.554 4.170 -0.005 0.000 0.291 866 I C -1.831 174.302 176.117 0.026 0.000 1.010 866 I CA -2.268 59.044 61.300 0.019 0.000 1.308 866 I CB 1.404 39.416 38.000 0.020 0.000 1.400 866 I HN -0.063 nan 8.210 nan 0.000 0.488 867 P HA 0.288 nan 4.420 nan 0.000 0.284 867 P C -0.799 176.526 177.300 0.042 0.000 1.258 867 P CA -0.405 62.718 63.100 0.038 0.000 0.824 867 P CB 1.804 33.526 31.700 0.037 0.000 1.038 868 V N 3.655 123.604 119.914 0.057 0.000 2.487 868 V HA 0.364 4.480 4.120 -0.005 0.000 0.298 868 V C 0.215 176.375 176.094 0.110 0.000 1.028 868 V CA -0.562 61.774 62.300 0.059 0.000 0.860 868 V CB 1.358 33.216 31.823 0.059 0.000 0.991 868 V HN 0.384 nan 8.190 nan 0.000 0.427 869 L N 6.662 127.957 121.223 0.119 0.000 2.334 869 L HA 0.569 4.905 4.340 -0.005 0.000 0.276 869 L C -2.348 174.709 176.870 0.312 0.000 1.014 869 L CA -1.993 52.945 54.840 0.164 0.000 0.815 869 L CB 2.356 44.477 42.059 0.104 0.000 1.268 869 L HN 0.394 nan 8.230 nan 0.000 0.428 870 P HA 0.019 nan 4.420 nan 0.000 0.270 870 P C -2.450 174.937 177.300 0.146 0.000 1.221 870 P CA -0.628 62.578 63.100 0.177 0.000 0.788 870 P CB -0.321 31.414 31.700 0.058 0.000 0.904 871 P HA 0.054 nan 4.420 nan 0.000 0.274 871 P C -0.791 176.526 177.300 0.028 0.000 1.260 871 P CA 0.631 63.752 63.100 0.036 0.000 0.793 871 P CB 0.550 32.217 31.700 -0.056 0.000 1.048 872 D N -0.365 120.059 120.400 0.040 0.000 2.354 872 D HA 0.061 4.698 4.640 -0.005 0.000 0.230 872 D C 1.136 177.486 176.300 0.084 0.000 1.361 872 D CA -0.349 53.673 54.000 0.037 0.000 0.992 872 D CB 1.385 42.200 40.800 0.025 0.000 1.409 872 D HN 0.053 nan 8.370 nan 0.000 0.573 873 V N 1.977 121.957 119.914 0.110 0.000 2.511 873 V HA -0.253 3.864 4.120 -0.005 0.000 0.257 873 V C 1.637 177.951 176.094 0.367 0.000 1.088 873 V CA 1.446 63.895 62.300 0.248 0.000 1.098 873 V CB -0.463 31.471 31.823 0.184 0.000 0.674 873 V HN 0.403 nan 8.190 nan 0.000 0.470 874 N N 0.662 119.505 118.700 0.239 0.000 2.182 874 N HA 0.021 4.758 4.740 -0.005 0.000 0.186 874 N C 2.121 177.685 175.510 0.090 0.000 1.036 874 N CA 1.721 54.872 53.050 0.168 0.000 0.850 874 N CB -0.149 38.386 38.487 0.079 0.000 1.010 874 N HN 0.484 nan 8.380 nan 0.000 0.432 875 R N 0.178 120.716 120.500 0.063 0.000 2.189 875 R HA 0.247 4.584 4.340 -0.005 0.000 0.203 875 R C 0.518 176.852 176.300 0.058 0.000 1.012 875 R CA -0.030 56.098 56.100 0.046 0.000 1.015 875 R CB 0.165 30.481 30.300 0.028 0.000 0.938 875 R HN -0.033 nan 8.270 nan 0.000 0.472 876 S N 0.105 115.849 115.700 0.073 0.000 2.558 876 S HA 0.207 4.674 4.470 -0.005 0.000 0.288 876 S C 0.418 175.070 174.600 0.086 0.000 1.318 876 S CA -0.148 58.096 58.200 0.074 0.000 1.056 876 S CB 1.158 64.402 63.200 0.073 0.000 0.853 876 S HN 0.399 nan 8.310 nan 0.000 0.505 877 G N 1.100 109.949 108.800 0.081 0.000 2.532 877 G HA2 0.428 4.385 3.960 -0.005 0.000 0.291 877 G HA3 0.428 4.385 3.960 -0.005 0.000 0.291 877 G C 0.405 175.393 174.900 0.146 0.000 1.349 877 G CA -0.564 44.603 45.100 0.113 0.000 1.038 877 G HN 0.616 nan 8.290 nan 0.000 0.518 878 F N -0.307 119.664 119.950 0.035 0.000 2.051 878 F HA 0.024 4.548 4.527 -0.005 0.000 0.296 878 F C 1.203 177.015 175.800 0.020 0.000 1.122 878 F CA 1.609 59.629 58.000 0.033 0.000 1.201 878 F CB 0.067 39.087 39.000 0.034 0.000 0.978 878 F HN 0.308 nan 8.300 nan 0.000 0.472 879 D N -1.363 119.007 120.400 -0.049 0.000 2.539 879 D HA 0.127 4.764 4.640 -0.005 0.000 0.280 879 D C -0.713 175.546 176.300 -0.068 0.000 1.208 879 D CA -0.513 53.402 54.000 -0.141 0.000 1.088 879 D CB 0.540 41.375 40.800 0.059 0.000 1.149 879 D HN -0.127 nan 8.370 nan 0.000 0.596 880 F N 1.017 120.934 119.950 -0.054 0.000 2.629 880 F HA 0.038 4.561 4.527 -0.006 0.000 0.377 880 F C 1.213 176.985 175.800 -0.047 0.000 1.101 880 F CA 0.828 58.781 58.000 -0.078 0.000 1.301 880 F CB 0.388 39.312 39.000 -0.128 0.000 1.062 880 F HN -0.068 nan 8.300 nan 0.000 0.583 881 K N 1.923 122.403 120.400 0.134 0.000 2.426 881 K HA 0.646 4.963 4.320 -0.005 0.000 0.251 881 K C -1.769 174.867 176.600 0.060 0.000 0.941 881 K CA -0.799 55.535 56.287 0.078 0.000 0.808 881 K CB 1.932 34.467 32.500 0.059 0.000 1.265 881 K HN 0.335 nan 8.250 nan 0.000 0.432 882 V N 3.932 123.867 119.914 0.035 0.000 2.304 882 V HA 0.264 4.381 4.120 -0.005 0.000 0.269 882 V C -0.558 175.549 176.094 0.021 0.000 1.036 882 V CA -0.826 61.489 62.300 0.025 0.000 0.840 882 V CB 1.131 32.962 31.823 0.013 0.000 1.036 882 V HN 0.449 nan 8.190 nan 0.000 0.466 883 V N 5.489 125.419 119.914 0.026 0.000 2.350 883 V HA 0.712 4.828 4.120 -0.005 0.000 0.276 883 V C 1.259 177.366 176.094 0.020 0.000 1.028 883 V CA 0.920 63.233 62.300 0.022 0.000 0.860 883 V CB 0.545 32.383 31.823 0.024 0.000 0.990 883 V HN 1.088 nan 8.190 nan 0.000 0.453 884 G N 5.144 113.955 108.800 0.017 0.000 3.099 884 G HA2 -0.270 3.687 3.960 -0.005 0.000 0.331 884 G HA3 -0.270 3.687 3.960 -0.005 0.000 0.331 884 G C 0.480 175.394 174.900 0.022 0.000 1.216 884 G CA 0.688 45.798 45.100 0.018 0.000 0.977 884 G HN 0.622 nan 8.290 nan 0.000 0.600 885 E N 2.442 122.655 120.200 0.022 0.000 3.191 885 E HA 0.301 4.647 4.350 -0.005 0.000 0.192 885 E C -0.133 176.481 176.600 0.024 0.000 0.972 885 E CA 0.207 56.622 56.400 0.024 0.000 1.266 885 E CB 0.672 30.383 29.700 0.020 0.000 1.076 885 E HN 0.766 nan 8.360 nan 0.000 0.462 886 E N 0.244 120.459 120.200 0.025 0.000 2.343 886 E HA 0.499 4.845 4.350 -0.005 0.000 0.270 886 E C -0.216 176.402 176.600 0.029 0.000 0.895 886 E CA -0.788 55.628 56.400 0.027 0.000 0.767 886 E CB 2.474 32.192 29.700 0.029 0.000 1.248 886 E HN -0.016 nan 8.360 nan 0.000 0.440 887 I N 2.836 123.422 120.570 0.026 0.000 2.301 887 I HA 0.150 4.316 4.170 -0.005 0.000 0.292 887 I C -0.779 175.358 176.117 0.034 0.000 1.046 887 I CA -0.584 60.733 61.300 0.028 0.000 1.282 887 I CB 0.395 38.394 38.000 -0.000 0.000 1.409 887 I HN 0.226 nan 8.210 nan 0.000 0.484 888 L N 7.831 129.084 121.223 0.049 0.000 2.307 888 L HA 0.522 4.859 4.340 -0.005 0.000 0.284 888 L C -0.473 176.408 176.870 0.019 0.000 1.023 888 L CA 0.006 54.877 54.840 0.052 0.000 0.810 888 L CB 1.061 43.154 42.059 0.057 0.000 1.231 888 L HN 0.249 nan 8.230 nan 0.000 0.423 889 F N 2.128 122.048 119.950 -0.050 0.000 2.514 889 F HA 0.425 4.949 4.527 -0.005 0.000 0.309 889 F C 1.387 177.023 175.800 -0.274 0.000 1.279 889 F CA 1.242 59.070 58.000 -0.287 0.000 1.304 889 F CB 0.527 39.371 39.000 -0.260 0.000 1.223 889 F HN 0.619 nan 8.300 nan 0.000 0.563 890 G N -0.102 108.645 108.800 -0.088 0.000 2.667 890 G HA2 0.492 4.449 3.960 -0.005 0.000 0.310 890 G HA3 0.492 4.449 3.960 -0.005 0.000 0.310 890 G C 0.016 174.836 174.900 -0.133 0.000 1.259 890 G CA -0.757 44.259 45.100 -0.139 0.000 1.019 890 G HN 0.599 nan 8.290 nan 0.000 0.496 891 L N 0.280 121.428 121.223 -0.125 0.000 2.354 891 L HA 0.033 4.370 4.340 -0.005 0.000 0.212 891 L C 3.083 179.864 176.870 -0.149 0.000 1.091 891 L CA 1.091 55.885 54.840 -0.077 0.000 0.828 891 L CB -0.236 41.854 42.059 0.052 0.000 0.973 891 L HN 0.635 nan 8.230 nan 0.000 0.461 892 S N 1.256 116.746 115.700 -0.351 0.000 2.392 892 S HA -0.257 4.210 4.470 -0.005 0.000 0.232 892 S C 2.030 176.485 174.600 -0.241 0.000 1.041 892 S CA 1.179 59.124 58.200 -0.426 0.000 1.026 892 S CB -0.551 61.980 63.200 -1.114 0.000 0.845 892 S HN 0.372 nan 8.310 nan 0.000 0.465 893 A N 0.961 123.624 122.820 -0.263 0.000 2.239 893 A HA 0.409 4.725 4.320 -0.005 0.000 0.209 893 A C 0.819 178.277 177.584 -0.209 0.000 1.171 893 A CA 0.212 52.119 52.037 -0.216 0.000 0.768 893 A CB -0.507 18.345 19.000 -0.247 0.000 0.790 893 A HN 0.419 nan 8.150 nan 0.000 0.478 894 V N 1.064 120.874 119.914 -0.174 0.000 2.488 894 V HA 0.097 4.213 4.120 -0.005 0.000 0.277 894 V C 1.186 177.234 176.094 -0.075 0.000 1.046 894 V CA -0.472 61.745 62.300 -0.137 0.000 0.986 894 V CB 1.203 32.959 31.823 -0.111 0.000 0.989 894 V HN 0.289 nan 8.190 nan 0.000 0.475 895 K N 2.937 123.295 120.400 -0.071 0.000 2.217 895 K HA -0.017 4.300 4.320 -0.005 0.000 0.202 895 K C 1.237 177.828 176.600 -0.015 0.000 1.051 895 K CA 1.009 57.273 56.287 -0.038 0.000 0.952 895 K CB 0.055 32.529 32.500 -0.042 0.000 0.736 895 K HN 0.570 nan 8.250 nan 0.000 0.453 896 N N -0.052 118.639 118.700 -0.015 0.000 2.322 896 N HA -0.005 4.732 4.740 -0.005 0.000 0.181 896 N C -0.205 175.311 175.510 0.009 0.000 1.088 896 N CA 0.044 53.093 53.050 -0.001 0.000 0.885 896 N CB 0.646 39.130 38.487 -0.004 0.000 1.013 896 N HN -0.176 nan 8.380 nan 0.000 0.472 897 V N 2.021 121.940 119.914 0.010 0.000 2.450 897 V HA 0.152 4.269 4.120 -0.005 0.000 0.281 897 V C 1.472 177.594 176.094 0.046 0.000 1.019 897 V CA -0.378 61.940 62.300 0.030 0.000 1.062 897 V CB 0.128 31.971 31.823 0.033 0.000 0.979 897 V HN 0.165 nan 8.190 nan 0.000 0.477 898 G N 3.632 112.462 108.800 0.051 0.000 2.794 898 G HA2 -0.001 3.956 3.960 -0.005 0.000 0.249 898 G HA3 -0.001 3.956 3.960 -0.005 0.000 0.249 898 G C 0.703 175.661 174.900 0.097 0.000 1.236 898 G CA 0.049 45.185 45.100 0.062 0.000 0.880 898 G HN 0.849 nan 8.290 nan 0.000 0.586 899 E N -0.363 119.902 120.200 0.108 0.000 2.140 899 E HA -0.046 4.301 4.350 -0.005 0.000 0.191 899 E C 2.653 179.326 176.600 0.121 0.000 0.973 899 E CA 0.290 56.789 56.400 0.165 0.000 0.829 899 E CB -0.041 29.757 29.700 0.163 0.000 0.781 899 E HN 0.591 nan 8.360 nan 0.000 0.466 900 M N 0.376 120.016 119.600 0.068 0.000 2.080 900 M HA -0.152 4.324 4.480 -0.005 0.000 0.260 900 M C 2.503 178.835 176.300 0.052 0.000 1.068 900 M CA 1.624 56.947 55.300 0.038 0.000 1.109 900 M CB -0.355 32.260 32.600 0.024 0.000 1.342 900 M HN 0.147 nan 8.290 nan 0.000 0.405 901 A N 0.451 123.310 122.820 0.064 0.000 1.972 901 A HA 0.026 4.342 4.320 -0.005 0.000 0.219 901 A C 2.403 180.052 177.584 0.109 0.000 1.169 901 A CA 1.811 53.889 52.037 0.068 0.000 0.635 901 A CB -0.758 18.277 19.000 0.057 0.000 0.810 901 A HN 0.508 nan 8.150 nan 0.000 0.446 902 A N -0.148 122.765 122.820 0.156 0.000 1.841 902 A HA -0.094 4.222 4.320 -0.005 0.000 0.214 902 A C 2.199 179.913 177.584 0.218 0.000 1.195 902 A CA 1.542 53.715 52.037 0.227 0.000 0.611 902 A CB -0.504 18.705 19.000 0.349 0.000 0.835 902 A HN 0.462 nan 8.150 nan 0.000 0.443 903 R N -0.385 120.206 120.500 0.151 0.000 2.103 903 R HA -0.145 4.192 4.340 -0.005 0.000 0.242 903 R C 2.426 178.757 176.300 0.051 0.000 1.142 903 R CA 1.461 57.582 56.100 0.034 0.000 0.960 903 R CB -0.545 29.693 30.300 -0.103 0.000 0.858 903 R HN 0.548 nan 8.270 nan 0.000 0.439 904 A N 1.082 123.934 122.820 0.053 0.000 1.859 904 A HA -0.237 4.079 4.320 -0.005 0.000 0.217 904 A C 2.126 179.757 177.584 0.079 0.000 1.198 904 A CA 1.801 53.864 52.037 0.045 0.000 0.629 904 A CB -0.783 18.235 19.000 0.029 0.000 0.830 904 A HN 0.261 nan 8.150 nan 0.000 0.446 905 I N -0.322 120.320 120.570 0.121 0.000 2.091 905 I HA -0.380 3.787 4.170 -0.005 0.000 0.240 905 I C 2.520 178.782 176.117 0.242 0.000 1.046 905 I CA 1.928 63.358 61.300 0.217 0.000 1.306 905 I CB -0.492 37.682 38.000 0.291 0.000 1.018 905 I HN 0.371 nan 8.210 nan 0.000 0.404 906 L N -0.072 121.263 121.223 0.186 0.000 1.971 906 L HA -0.256 4.080 4.340 -0.005 0.000 0.215 906 L C 2.707 179.616 176.870 0.064 0.000 1.072 906 L CA 1.467 56.388 54.840 0.134 0.000 0.758 906 L CB -0.870 41.263 42.059 0.124 0.000 0.889 906 L HN 0.271 nan 8.230 nan 0.000 0.433 907 E N 0.021 120.247 120.200 0.045 0.000 2.077 907 E HA -0.262 4.085 4.350 -0.005 0.000 0.193 907 E C 2.045 178.645 176.600 0.000 0.000 0.989 907 E CA 1.334 57.741 56.400 0.011 0.000 0.800 907 E CB -0.291 29.410 29.700 0.002 0.000 0.746 907 E HN 0.441 nan 8.360 nan 0.000 0.452 908 E N 1.147 121.361 120.200 0.023 0.000 2.409 908 E HA -0.131 4.216 4.350 -0.005 0.000 0.198 908 E C 1.796 178.360 176.600 -0.059 0.000 1.024 908 E CA 0.671 57.081 56.400 0.016 0.000 0.861 908 E CB -0.032 29.702 29.700 0.058 0.000 0.788 908 E HN 0.025 nan 8.360 nan 0.000 0.521 909 R N -0.019 120.417 120.500 -0.107 0.000 2.334 909 R HA 0.086 4.423 4.340 -0.005 0.000 0.216 909 R C 0.488 176.674 176.300 -0.190 0.000 0.905 909 R CA 0.403 56.295 56.100 -0.347 0.000 1.064 909 R CB 0.372 30.469 30.300 -0.340 0.000 1.046 909 R HN 0.119 nan 8.270 nan 0.000 0.508 910 E N 0.036 120.180 120.200 -0.094 0.000 2.601 910 E HA 0.018 4.365 4.350 -0.005 0.000 0.219 910 E C 1.035 177.606 176.600 -0.048 0.000 0.964 910 E CA -0.011 56.353 56.400 -0.061 0.000 1.050 910 E CB 1.021 30.702 29.700 -0.031 0.000 1.068 910 E HN 0.388 nan 8.360 nan 0.000 0.496 911 R N -0.070 120.399 120.500 -0.051 0.000 2.164 911 R HA 0.192 4.529 4.340 -0.005 0.000 0.198 911 R C 1.111 177.388 176.300 -0.039 0.000 1.028 911 R CA 0.559 56.638 56.100 -0.035 0.000 1.083 911 R CB -0.134 30.152 30.300 -0.023 0.000 1.026 911 R HN -0.072 nan 8.270 nan 0.000 0.514 912 G N 1.034 109.803 108.800 -0.053 0.000 2.322 912 G HA2 0.516 4.473 3.960 -0.005 0.000 0.309 912 G HA3 0.516 4.473 3.960 -0.005 0.000 0.309 912 G C 0.006 174.837 174.900 -0.116 0.000 1.121 912 G CA -0.277 44.789 45.100 -0.056 0.000 0.886 912 G HN 0.360 nan 8.290 nan 0.000 0.447 913 G N 2.246 110.992 108.800 -0.090 0.000 2.527 913 G HA2 0.393 4.350 3.960 -0.005 0.000 0.279 913 G HA3 0.393 4.350 3.960 -0.005 0.000 0.279 913 G C -2.063 172.726 174.900 -0.184 0.000 1.374 913 G CA -0.870 44.164 45.100 -0.111 0.000 1.053 913 G HN 0.538 nan 8.290 nan 0.000 0.539 914 P HA -0.115 nan 4.420 nan 0.000 0.263 914 P C -0.255 177.019 177.300 -0.042 0.000 1.145 914 P CA 0.895 63.930 63.100 -0.108 0.000 0.755 914 P CB 0.003 31.691 31.700 -0.020 0.000 0.746 915 F N 2.878 122.944 119.950 0.193 0.000 2.538 915 F HA 0.018 4.542 4.527 -0.005 0.000 0.371 915 F C 1.865 177.851 175.800 0.310 0.000 1.087 915 F CA 0.281 58.463 58.000 0.304 0.000 1.250 915 F CB 0.519 39.816 39.000 0.494 0.000 1.110 915 F HN 0.261 nan 8.300 nan 0.000 0.570 916 K N 1.042 121.740 120.400 0.497 0.000 2.335 916 K HA 0.118 4.435 4.320 -0.005 0.000 0.195 916 K C 0.158 177.028 176.600 0.449 0.000 1.058 916 K CA 0.526 57.029 56.287 0.360 0.000 0.988 916 K CB 0.470 33.100 32.500 0.217 0.000 0.880 916 K HN 0.676 nan 8.250 nan 0.000 0.513 917 S N -0.941 115.005 115.700 0.410 0.000 2.588 917 S HA 0.195 4.662 4.470 -0.005 0.000 0.269 917 S C 0.394 174.770 174.600 -0.374 0.000 1.157 917 S CA -0.790 57.491 58.200 0.136 0.000 0.824 917 S CB 0.861 64.100 63.200 0.065 0.000 1.126 917 S HN -0.064 nan 8.310 nan 0.000 0.464 918 L N 2.217 122.985 121.223 -0.758 0.000 2.187 918 L HA 0.201 4.538 4.340 -0.005 0.000 0.213 918 L C 2.076 178.839 176.870 -0.180 0.000 1.100 918 L CA 2.704 57.146 54.840 -0.663 0.000 0.765 918 L CB -1.273 40.447 42.059 -0.565 0.000 0.904 918 L HN 1.006 nan 8.230 nan 0.000 0.437 919 G N -0.829 107.903 108.800 -0.114 0.000 2.524 919 G HA2 -0.378 3.579 3.960 -0.005 0.000 0.215 919 G HA3 -0.378 3.579 3.960 -0.005 0.000 0.215 919 G C 1.282 176.312 174.900 0.217 0.000 1.239 919 G CA 0.784 45.920 45.100 0.060 0.000 0.798 919 G HN 0.456 nan 8.290 nan 0.000 0.557 920 D N -0.770 119.740 120.400 0.183 0.000 2.332 920 D HA -0.161 4.475 4.640 -0.005 0.000 0.209 920 D C 1.865 178.331 176.300 0.277 0.000 0.988 920 D CA 0.646 54.794 54.000 0.246 0.000 0.912 920 D CB -0.210 40.752 40.800 0.270 0.000 0.899 920 D HN 0.235 nan 8.370 nan 0.000 0.477 921 F N 0.031 119.956 119.950 -0.040 0.000 2.123 921 F HA 0.135 4.658 4.527 -0.006 0.000 0.289 921 F C 2.009 177.739 175.800 -0.116 0.000 1.099 921 F CA 0.809 58.652 58.000 -0.261 0.000 1.234 921 F CB -0.274 38.388 39.000 -0.563 0.000 1.034 921 F HN -0.081 nan 8.300 nan 0.000 0.479 922 L N 0.797 122.056 121.223 0.060 0.000 2.362 922 L HA -0.158 4.179 4.340 -0.005 0.000 0.219 922 L C 2.295 179.154 176.870 -0.018 0.000 1.134 922 L CA 1.316 56.163 54.840 0.012 0.000 0.807 922 L CB -0.603 41.534 42.059 0.130 0.000 0.927 922 L HN 0.226 nan 8.230 nan 0.000 0.447 923 K N -0.467 119.951 120.400 0.030 0.000 2.314 923 K HA -0.007 4.310 4.320 -0.005 0.000 0.198 923 K C 1.941 178.519 176.600 -0.037 0.000 1.045 923 K CA 0.335 56.602 56.287 -0.033 0.000 0.988 923 K CB 0.056 32.544 32.500 -0.020 0.000 0.783 923 K HN 0.198 nan 8.250 nan 0.000 0.484 924 R N 0.551 121.039 120.500 -0.020 0.000 2.173 924 R HA 0.234 4.571 4.340 -0.005 0.000 0.208 924 R C 0.318 176.567 176.300 -0.085 0.000 1.035 924 R CA 0.349 56.446 56.100 -0.005 0.000 1.004 924 R CB 0.163 30.535 30.300 0.120 0.000 0.917 924 R HN 0.143 nan 8.270 nan 0.000 0.462 925 L N 3.375 124.469 121.223 -0.216 0.000 2.366 925 L HA 0.375 4.712 4.340 -0.005 0.000 0.266 925 L C -2.292 174.458 176.870 -0.200 0.000 1.010 925 L CA -2.141 52.538 54.840 -0.268 0.000 0.879 925 L CB 1.685 43.414 42.059 -0.549 0.000 1.228 925 L HN -0.146 nan 8.230 nan 0.000 0.439 926 P HA 0.009 nan 4.420 nan 0.000 0.273 926 P C 0.433 177.689 177.300 -0.074 0.000 1.250 926 P CA -0.255 62.791 63.100 -0.089 0.000 0.793 926 P CB 1.208 32.865 31.700 -0.071 0.000 1.011 927 E N -0.129 120.040 120.200 -0.051 0.000 2.160 927 E HA -0.219 4.128 4.350 -0.005 0.000 0.195 927 E C 1.777 178.359 176.600 -0.030 0.000 0.991 927 E CA 1.008 57.388 56.400 -0.033 0.000 0.810 927 E CB -0.012 29.675 29.700 -0.022 0.000 0.742 927 E HN 0.325 nan 8.360 nan 0.000 0.466 928 Q N -0.265 119.515 119.800 -0.034 0.000 2.197 928 Q HA -0.192 4.144 4.340 -0.005 0.000 0.211 928 Q C 2.154 178.139 176.000 -0.025 0.000 0.993 928 Q CA 1.456 57.242 55.803 -0.028 0.000 0.883 928 Q CB -0.115 28.604 28.738 -0.032 0.000 0.916 928 Q HN 0.291 nan 8.270 nan 0.000 0.418 929 V N -0.739 119.155 119.914 -0.033 0.000 2.806 929 V HA 0.010 4.127 4.120 -0.005 0.000 0.239 929 V C 0.728 176.810 176.094 -0.021 0.000 1.113 929 V CA 0.463 62.746 62.300 -0.029 0.000 1.137 929 V CB 0.927 32.724 31.823 -0.043 0.000 0.865 929 V HN -0.066 nan 8.190 nan 0.000 0.482 930 V N 3.342 123.236 119.914 -0.034 0.000 2.293 930 V HA 0.336 4.453 4.120 -0.005 0.000 0.275 930 V C -0.121 175.970 176.094 -0.005 0.000 1.021 930 V CA -1.010 61.283 62.300 -0.011 0.000 0.815 930 V CB 0.437 32.249 31.823 -0.018 0.000 1.025 930 V HN 0.762 nan 8.190 nan 0.000 0.448 931 N N 3.289 121.990 118.700 0.002 0.000 2.340 931 N HA 0.066 4.803 4.740 -0.005 0.000 0.236 931 N C 1.130 176.643 175.510 0.005 0.000 1.296 931 N CA -0.330 52.721 53.050 0.001 0.000 0.896 931 N CB 0.896 39.384 38.487 0.002 0.000 1.127 931 N HN 0.528 nan 8.380 nan 0.000 0.442 932 K N 0.444 120.846 120.400 0.002 0.000 2.020 932 K HA -0.311 4.006 4.320 -0.005 0.000 0.212 932 K C 2.042 178.639 176.600 -0.005 0.000 1.050 932 K CA 1.565 57.852 56.287 -0.000 0.000 0.929 932 K CB -0.175 32.323 32.500 -0.003 0.000 0.714 932 K HN 0.609 nan 8.250 nan 0.000 0.443 933 R N 0.491 120.988 120.500 -0.004 0.000 2.112 933 R HA -0.215 4.122 4.340 -0.005 0.000 0.242 933 R C 2.098 178.393 176.300 -0.007 0.000 1.137 933 R CA 2.052 58.148 56.100 -0.007 0.000 0.944 933 R CB -0.769 29.531 30.300 -0.001 0.000 0.857 933 R HN 0.370 nan 8.270 nan 0.000 0.435 934 A N 0.590 123.412 122.820 0.003 0.000 1.873 934 A HA -0.201 4.116 4.320 -0.005 0.000 0.218 934 A C 2.293 179.883 177.584 0.011 0.000 1.193 934 A CA 1.963 54.007 52.037 0.012 0.000 0.629 934 A CB -0.882 18.133 19.000 0.026 0.000 0.826 934 A HN 0.399 nan 8.150 nan 0.000 0.447 935 L N -0.805 120.429 121.223 0.018 0.000 2.013 935 L HA -0.284 4.053 4.340 -0.005 0.000 0.212 935 L C 2.657 179.503 176.870 -0.039 0.000 1.073 935 L CA 2.040 56.889 54.840 0.014 0.000 0.753 935 L CB -0.771 41.302 42.059 0.025 0.000 0.890 935 L HN 0.501 nan 8.230 nan 0.000 0.432 936 E N -0.273 119.897 120.200 -0.049 0.000 2.033 936 E HA -0.223 4.124 4.350 -0.005 0.000 0.199 936 E C 2.315 178.852 176.600 -0.105 0.000 1.011 936 E CA 1.781 58.127 56.400 -0.089 0.000 0.815 936 E CB -0.157 29.495 29.700 -0.080 0.000 0.755 936 E HN 0.366 nan 8.360 nan 0.000 0.451 937 S N 0.861 116.519 115.700 -0.071 0.000 2.368 937 S HA -0.148 4.319 4.470 -0.005 0.000 0.225 937 S C 1.888 176.442 174.600 -0.077 0.000 1.030 937 S CA 0.663 58.822 58.200 -0.069 0.000 0.999 937 S CB -0.244 62.930 63.200 -0.045 0.000 0.844 937 S HN 0.103 nan 8.310 nan 0.000 0.459 938 L N 1.627 122.813 121.223 -0.062 0.000 2.127 938 L HA -0.060 4.277 4.340 -0.005 0.000 0.211 938 L C 2.095 178.910 176.870 -0.092 0.000 1.089 938 L CA 1.399 56.201 54.840 -0.064 0.000 0.757 938 L CB -0.633 41.408 42.059 -0.030 0.000 0.899 938 L HN 0.150 nan 8.230 nan 0.000 0.434 939 V N -1.200 118.650 119.914 -0.107 0.000 2.346 939 V HA -0.211 3.906 4.120 -0.005 0.000 0.244 939 V C 2.408 178.437 176.094 -0.108 0.000 1.037 939 V CA 1.362 63.595 62.300 -0.112 0.000 1.029 939 V CB -0.507 31.238 31.823 -0.129 0.000 0.663 939 V HN 0.364 nan 8.190 nan 0.000 0.454 940 K N 0.477 120.795 120.400 -0.138 0.000 2.173 940 K HA -0.225 4.091 4.320 -0.005 0.000 0.207 940 K C 2.159 178.723 176.600 -0.060 0.000 1.046 940 K CA 1.605 57.818 56.287 -0.123 0.000 0.929 940 K CB -0.355 32.069 32.500 -0.127 0.000 0.720 940 K HN 0.506 nan 8.250 nan 0.000 0.453 941 A N -0.060 122.710 122.820 -0.083 0.000 1.970 941 A HA 0.079 4.395 4.320 -0.005 0.000 0.216 941 A C 1.593 179.127 177.584 -0.082 0.000 1.170 941 A CA 1.394 53.368 52.037 -0.105 0.000 0.645 941 A CB -0.221 18.695 19.000 -0.140 0.000 0.816 941 A HN 0.431 nan 8.150 nan 0.000 0.447 942 G N -2.539 106.225 108.800 -0.061 0.000 2.138 942 G HA2 0.060 4.017 3.960 -0.005 0.000 0.193 942 G HA3 0.060 4.017 3.960 -0.005 0.000 0.193 942 G C 0.980 175.859 174.900 -0.034 0.000 0.998 942 G CA 0.870 45.948 45.100 -0.036 0.000 0.668 942 G HN 1.296 nan 8.290 nan 0.000 0.516 943 A N -0.499 122.293 122.820 -0.047 0.000 1.968 943 A HA 0.455 4.772 4.320 -0.005 0.000 0.217 943 A C 2.027 179.599 177.584 -0.021 0.000 1.169 943 A CA 1.652 53.670 52.037 -0.032 0.000 0.638 943 A CB -0.133 18.846 19.000 -0.036 0.000 0.812 943 A HN 0.874 nan 8.150 nan 0.000 0.446 944 L N -0.218 120.991 121.223 -0.023 0.000 2.653 944 L HA 0.098 4.435 4.340 -0.005 0.000 0.231 944 L C 0.966 177.914 176.870 0.131 0.000 1.153 944 L CA -0.080 54.816 54.840 0.094 0.000 0.933 944 L CB 0.094 42.114 42.059 -0.065 0.000 1.175 944 L HN 0.148 nan 8.230 nan 0.000 0.473 945 D N 1.197 121.602 120.400 0.009 0.000 2.190 945 D HA -0.194 4.443 4.640 -0.005 0.000 0.200 945 D C 2.196 178.449 176.300 -0.077 0.000 0.992 945 D CA 1.333 55.323 54.000 -0.016 0.000 0.854 945 D CB 0.179 40.964 40.800 -0.025 0.000 0.936 945 D HN 0.337 nan 8.370 nan 0.000 0.462 946 A N -0.879 121.808 122.820 -0.221 0.000 2.285 946 A HA -0.146 4.171 4.320 -0.005 0.000 0.214 946 A C 1.384 178.586 177.584 -0.636 0.000 1.188 946 A CA 0.850 52.608 52.037 -0.465 0.000 0.707 946 A CB -0.777 17.843 19.000 -0.634 0.000 0.771 946 A HN 0.256 nan 8.150 nan 0.000 0.488 947 F N -2.295 117.621 119.950 -0.056 0.000 2.727 947 F HA 0.451 4.974 4.527 -0.006 0.000 0.302 947 F C 1.504 177.274 175.800 -0.049 0.000 1.107 947 F CA 0.597 58.563 58.000 -0.056 0.000 1.277 947 F CB 0.602 39.549 39.000 -0.088 0.000 1.079 947 F HN 0.411 nan 8.300 nan 0.000 0.594 948 G N -0.071 108.782 108.800 0.087 0.000 2.366 948 G HA2 -0.040 3.916 3.960 -0.005 0.000 0.190 948 G HA3 -0.040 3.916 3.960 -0.005 0.000 0.190 948 G C -1.828 173.087 174.900 0.025 0.000 1.299 948 G CA -0.909 44.216 45.100 0.042 0.000 1.056 948 G HN -0.042 nan 8.290 nan 0.000 0.468 949 D N 0.148 120.557 120.400 0.015 0.000 2.350 949 D HA 0.504 5.141 4.640 -0.005 0.000 0.249 949 D C 1.800 178.100 176.300 0.000 0.000 1.119 949 D CA -0.217 53.788 54.000 0.007 0.000 0.886 949 D CB 0.900 41.703 40.800 0.005 0.000 1.195 949 D HN 0.439 nan 8.370 nan 0.000 0.437 950 R N 2.895 123.394 120.500 -0.003 0.000 2.062 950 R HA -0.106 4.231 4.340 -0.005 0.000 0.231 950 R C 1.997 178.273 176.300 -0.041 0.000 1.136 950 R CA 1.260 57.347 56.100 -0.023 0.000 0.948 950 R CB -0.555 29.734 30.300 -0.018 0.000 0.845 950 R HN 0.549 nan 8.270 nan 0.000 0.430 951 A N 1.338 124.146 122.820 -0.020 0.000 1.940 951 A HA -0.212 4.105 4.320 -0.005 0.000 0.219 951 A C 2.191 179.757 177.584 -0.030 0.000 1.176 951 A CA 1.447 53.471 52.037 -0.022 0.000 0.631 951 A CB -0.476 18.533 19.000 0.014 0.000 0.814 951 A HN 0.225 nan 8.150 nan 0.000 0.446 952 R N -0.845 119.641 120.500 -0.022 0.000 2.081 952 R HA -0.075 4.261 4.340 -0.005 0.000 0.235 952 R C 2.058 178.333 176.300 -0.042 0.000 1.131 952 R CA 1.527 57.612 56.100 -0.026 0.000 0.960 952 R CB -0.438 29.851 30.300 -0.018 0.000 0.856 952 R HN 0.547 nan 8.270 nan 0.000 0.436 953 L N 0.433 121.626 121.223 -0.049 0.000 1.970 953 L HA -0.257 4.080 4.340 -0.005 0.000 0.212 953 L C 2.394 179.215 176.870 -0.081 0.000 1.071 953 L CA 1.519 56.316 54.840 -0.071 0.000 0.751 953 L CB -0.585 41.429 42.059 -0.074 0.000 0.889 953 L HN 0.220 nan 8.230 nan 0.000 0.432 954 L N -0.525 120.643 121.223 -0.091 0.000 2.021 954 L HA -0.308 4.029 4.340 -0.005 0.000 0.215 954 L C 2.770 179.598 176.870 -0.070 0.000 1.074 954 L CA 1.575 56.353 54.840 -0.103 0.000 0.760 954 L CB -0.770 41.201 42.059 -0.147 0.000 0.889 954 L HN 0.345 nan 8.230 nan 0.000 0.433 955 A N -1.383 121.406 122.820 -0.053 0.000 1.968 955 A HA -0.131 4.186 4.320 -0.005 0.000 0.217 955 A C 2.431 179.995 177.584 -0.033 0.000 1.169 955 A CA 1.665 53.682 52.037 -0.034 0.000 0.638 955 A CB -0.403 18.583 19.000 -0.023 0.000 0.812 955 A HN 0.377 nan 8.150 nan 0.000 0.446 956 S N -0.012 115.662 115.700 -0.043 0.000 2.423 956 S HA -0.043 4.424 4.470 -0.005 0.000 0.231 956 S C 1.738 176.315 174.600 -0.037 0.000 1.014 956 S CA 0.955 59.128 58.200 -0.045 0.000 0.965 956 S CB -0.440 62.722 63.200 -0.064 0.000 0.785 956 S HN 0.525 nan 8.310 nan 0.000 0.495 957 L N 1.423 122.622 121.223 -0.040 0.000 1.978 957 L HA -0.213 4.123 4.340 -0.005 0.000 0.218 957 L C 2.886 179.758 176.870 0.003 0.000 1.075 957 L CA 1.592 56.417 54.840 -0.025 0.000 0.767 957 L CB -0.584 41.454 42.059 -0.035 0.000 0.890 957 L HN 0.301 nan 8.230 nan 0.000 0.434 958 E N 0.192 120.392 120.200 -0.000 0.000 2.023 958 E HA -0.207 4.140 4.350 -0.005 0.000 0.196 958 E C -0.297 176.321 176.600 0.030 0.000 1.003 958 E CA 1.898 58.306 56.400 0.012 0.000 0.809 958 E CB -1.217 28.486 29.700 0.005 0.000 0.755 958 E HN 0.325 nan 8.360 nan 0.000 0.449 959 P HA -0.070 nan 4.420 nan 0.000 0.225 959 P C 1.393 178.742 177.300 0.082 0.000 1.148 959 P CA 0.854 63.980 63.100 0.042 0.000 0.779 959 P CB -0.062 31.647 31.700 0.015 0.000 0.780 960 L N -1.984 119.284 121.223 0.075 0.000 2.307 960 L HA 0.017 4.354 4.340 -0.005 0.000 0.211 960 L C 2.177 179.192 176.870 0.241 0.000 1.099 960 L CA 0.725 55.655 54.840 0.149 0.000 0.816 960 L CB -0.453 41.637 42.059 0.053 0.000 0.952 960 L HN -0.090 nan 8.230 nan 0.000 0.455 961 L N -1.088 120.213 121.223 0.130 0.000 2.109 961 L HA -0.127 4.210 4.340 -0.005 0.000 0.207 961 L C 2.670 179.586 176.870 0.078 0.000 1.086 961 L CA 0.957 55.852 54.840 0.091 0.000 0.760 961 L CB -0.364 41.722 42.059 0.045 0.000 0.910 961 L HN 0.138 nan 8.230 nan 0.000 0.437 962 R N -0.948 119.605 120.500 0.089 0.000 2.127 962 R HA -0.243 4.094 4.340 -0.005 0.000 0.238 962 R C 2.069 178.435 176.300 0.110 0.000 1.134 962 R CA 2.048 58.194 56.100 0.076 0.000 0.975 962 R CB -0.387 29.957 30.300 0.074 0.000 0.865 962 R HN 0.452 nan 8.270 nan 0.000 0.447 963 W N 0.880 122.173 121.300 -0.012 0.000 2.408 963 W HA -0.087 4.570 4.660 -0.006 0.000 0.311 963 W C 2.193 178.706 176.519 -0.010 0.000 1.190 963 W CA 1.497 58.836 57.345 -0.010 0.000 1.321 963 W CB -0.552 28.901 29.460 -0.012 0.000 1.143 963 W HN 0.044 nan 8.180 nan 0.000 0.501 964 A N 1.306 124.072 122.820 -0.089 0.000 1.859 964 A HA -0.187 4.130 4.320 -0.005 0.000 0.217 964 A C 2.170 179.550 177.584 -0.340 0.000 1.198 964 A CA 3.216 55.031 52.037 -0.370 0.000 0.629 964 A CB -1.746 17.226 19.000 -0.047 0.000 0.830 964 A HN 0.566 nan 8.150 nan 0.000 0.446 965 A N -0.628 122.091 122.820 -0.168 0.000 1.948 965 A HA -0.223 4.094 4.320 -0.005 0.000 0.220 965 A C 1.922 179.411 177.584 -0.159 0.000 1.177 965 A CA 1.852 53.809 52.037 -0.133 0.000 0.636 965 A CB -0.591 18.367 19.000 -0.070 0.000 0.815 965 A HN 0.691 nan 8.150 nan 0.000 0.449 966 E N -0.981 119.107 120.200 -0.186 0.000 2.152 966 E HA -0.100 4.247 4.350 -0.005 0.000 0.192 966 E C 2.006 178.466 176.600 -0.234 0.000 0.983 966 E CA 1.324 57.623 56.400 -0.169 0.000 0.818 966 E CB -0.231 29.399 29.700 -0.115 0.000 0.758 966 E HN 0.663 nan 8.360 nan 0.000 0.467 967 T N 0.897 115.203 114.554 -0.413 0.000 2.708 967 T HA -0.153 4.194 4.350 -0.005 0.000 0.266 967 T C 1.847 176.407 174.700 -0.233 0.000 1.037 967 T CA 1.048 62.899 62.100 -0.415 0.000 1.146 967 T CB -0.136 68.309 68.868 -0.705 0.000 0.865 967 T HN 0.108 nan 8.240 nan 0.000 0.435 968 R N 0.666 121.041 120.500 -0.209 0.000 2.092 968 R HA 0.001 4.337 4.340 -0.005 0.000 0.231 968 R C 2.611 178.854 176.300 -0.094 0.000 1.119 968 R CA 0.969 56.991 56.100 -0.130 0.000 0.970 968 R CB -0.131 30.099 30.300 -0.116 0.000 0.864 968 R HN 0.509 nan 8.270 nan 0.000 0.440 969 E N 0.304 120.446 120.200 -0.097 0.000 2.118 969 E HA -0.220 4.127 4.350 -0.005 0.000 0.195 969 E C 2.020 178.587 176.600 -0.054 0.000 0.992 969 E CA 1.229 57.589 56.400 -0.067 0.000 0.804 969 E CB 0.095 29.758 29.700 -0.062 0.000 0.741 969 E HN 0.315 nan 8.360 nan 0.000 0.458 970 R N -0.540 119.922 120.500 -0.063 0.000 2.073 970 R HA -0.056 4.281 4.340 -0.005 0.000 0.229 970 R C 2.507 178.789 176.300 -0.029 0.000 1.120 970 R CA 1.030 57.108 56.100 -0.036 0.000 0.967 970 R CB -0.429 29.854 30.300 -0.029 0.000 0.862 970 R HN 0.148 nan 8.270 nan 0.000 0.436 971 G N 1.175 109.947 108.800 -0.047 0.000 2.422 971 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.218 971 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.218 971 G C 1.335 176.218 174.900 -0.029 0.000 1.146 971 G CA 0.236 45.315 45.100 -0.034 0.000 0.769 971 G HN 0.238 nan 8.290 nan 0.000 0.547 972 R N 0.124 120.602 120.500 -0.036 0.000 2.391 972 R HA 0.246 4.583 4.340 -0.005 0.000 0.249 972 R C 1.100 177.384 176.300 -0.027 0.000 0.957 972 R CA 0.151 56.233 56.100 -0.030 0.000 1.093 972 R CB 0.326 30.605 30.300 -0.034 0.000 1.156 972 R HN 0.234 nan 8.270 nan 0.000 0.526 973 S N -0.062 115.622 115.700 -0.025 0.000 2.651 973 S HA 0.307 4.774 4.470 -0.005 0.000 0.246 973 S C 0.619 175.203 174.600 -0.027 0.000 1.039 973 S CA 0.223 58.408 58.200 -0.025 0.000 1.013 973 S CB 0.227 63.413 63.200 -0.024 0.000 0.861 973 S HN 0.631 nan 8.310 nan 0.000 0.485 974 G N 1.781 110.567 108.800 -0.024 0.000 2.520 974 G HA2 -0.193 3.764 3.960 -0.005 0.000 0.248 974 G HA3 -0.193 3.764 3.960 -0.005 0.000 0.248 974 G C -0.430 174.463 174.900 -0.012 0.000 1.161 974 G CA -0.538 44.547 45.100 -0.025 0.000 0.946 974 G HN 1.305 nan 8.290 nan 0.000 0.565 975 L N -1.103 120.108 121.223 -0.021 0.000 3.052 975 L HA -0.204 4.133 4.340 -0.005 0.000 0.540 975 L C 1.896 178.820 176.870 0.090 0.000 1.001 975 L CA 0.458 55.315 54.840 0.029 0.000 1.287 975 L CB -1.380 40.712 42.059 0.055 0.000 1.312 975 L HN 0.933 nan 8.230 nan 0.000 0.637 976 V N 2.190 122.197 119.914 0.155 0.000 2.222 976 V HA -0.085 4.032 4.120 -0.005 0.000 0.240 976 V C 1.756 177.916 176.094 0.111 0.000 1.040 976 V CA 2.415 64.795 62.300 0.133 0.000 0.988 976 V CB -0.410 31.510 31.823 0.161 0.000 0.633 976 V HN 1.073 nan 8.190 nan 0.000 0.452 977 G N -2.671 106.206 108.800 0.128 0.000 3.912 977 G HA2 0.210 4.166 3.960 -0.005 0.000 0.203 977 G HA3 0.210 4.166 3.960 -0.005 0.000 0.203 977 G C 0.782 175.698 174.900 0.026 0.000 1.112 977 G CA 0.028 45.168 45.100 0.067 0.000 0.871 977 G HN 0.285 nan 8.290 nan 0.000 0.549 978 L N -0.559 120.647 121.223 -0.028 0.000 2.433 978 L HA 0.343 4.680 4.340 -0.005 0.000 0.200 978 L C 1.974 178.712 176.870 -0.220 0.000 1.059 978 L CA 0.402 55.123 54.840 -0.198 0.000 0.835 978 L CB -0.027 41.782 42.059 -0.416 0.000 1.076 978 L HN 0.146 nan 8.230 nan 0.000 0.481 979 F N 0.063 120.026 119.950 0.022 0.000 2.699 979 F HA 0.054 4.577 4.527 -0.005 0.000 0.298 979 F C 1.944 177.753 175.800 0.015 0.000 1.154 979 F CA 0.647 58.658 58.000 0.019 0.000 1.457 979 F CB -0.435 38.571 39.000 0.011 0.000 1.106 979 F HN -0.000 nan 8.300 nan 0.000 0.585 980 A N -0.665 122.256 122.820 0.169 0.000 2.470 980 A HA 0.304 4.621 4.320 -0.005 0.000 0.251 980 A C 0.236 177.850 177.584 0.051 0.000 1.245 980 A CA -0.049 52.043 52.037 0.093 0.000 0.932 980 A CB 0.012 19.059 19.000 0.079 0.000 1.037 980 A HN 0.241 nan 8.150 nan 0.000 0.522 981 E N -0.673 119.572 120.200 0.076 0.000 2.294 981 E HA 0.244 4.590 4.350 -0.005 0.000 0.272 981 E C -1.288 175.406 176.600 0.156 0.000 0.896 981 E CA -0.271 56.206 56.400 0.129 0.000 0.802 981 E CB 2.280 32.059 29.700 0.131 0.000 1.267 981 E HN -0.044 nan 8.360 nan 0.000 0.406 982 V N 4.008 124.074 119.914 0.254 0.000 3.140 982 V HA 0.050 4.167 4.120 -0.005 0.000 0.379 982 V C 0.162 176.367 176.094 0.185 0.000 1.296 982 V CA 0.242 62.662 62.300 0.200 0.000 1.351 982 V CB -0.806 31.135 31.823 0.195 0.000 1.311 982 V HN 0.746 nan 8.190 nan 0.000 0.508 983 E N 2.289 122.612 120.200 0.206 0.000 2.032 983 E HA -0.233 4.114 4.350 -0.005 0.000 0.352 983 E C 0.416 176.910 176.600 -0.176 0.000 0.649 983 E CA 0.830 57.307 56.400 0.130 0.000 1.307 983 E CB 0.063 29.805 29.700 0.070 0.000 0.491 983 E HN 0.920 nan 8.360 nan 0.000 0.414 984 E N 4.221 124.022 120.200 -0.665 0.000 1.886 984 E HA -0.182 4.164 4.350 -0.005 0.000 0.334 984 E C -1.971 174.289 176.600 -0.566 0.000 0.614 984 E CA -0.126 55.562 56.400 -1.186 0.000 1.244 984 E CB -0.548 28.484 29.700 -1.114 0.000 0.539 984 E HN 0.183 nan 8.360 nan 0.000 0.399 985 P HA 0.045 nan 4.420 nan 0.000 0.267 985 P C -2.064 175.099 177.300 -0.229 0.000 1.200 985 P CA -1.048 61.899 63.100 -0.256 0.000 0.772 985 P CB -0.226 31.358 31.700 -0.194 0.000 0.855 986 P HA -0.064 nan 4.420 nan 0.000 0.266 986 P C 0.251 177.483 177.300 -0.113 0.000 1.180 986 P CA -0.124 62.908 63.100 -0.113 0.000 0.765 986 P CB 0.218 31.875 31.700 -0.072 0.000 0.806 987 L N 3.022 124.186 121.223 -0.098 0.000 2.667 987 L HA -0.119 4.218 4.340 -0.005 0.000 0.296 987 L C 0.569 177.400 176.870 -0.064 0.000 1.252 987 L CA 0.772 55.562 54.840 -0.083 0.000 0.891 987 L CB -0.039 41.985 42.059 -0.058 0.000 1.141 987 L HN 0.130 nan 8.230 nan 0.000 0.501 988 V N 4.644 124.522 119.914 -0.060 0.000 3.237 988 V HA 0.054 4.171 4.120 -0.005 0.000 0.305 988 V C 0.534 176.610 176.094 -0.032 0.000 1.096 988 V CA -0.394 61.880 62.300 -0.043 0.000 1.130 988 V CB 0.815 32.615 31.823 -0.037 0.000 1.048 988 V HN 0.763 nan 8.190 nan 0.000 0.484 989 E N 1.220 121.407 120.200 -0.023 0.000 2.202 989 E HA 0.760 5.107 4.350 -0.005 0.000 0.272 989 E C -0.603 175.992 176.600 -0.010 0.000 0.951 989 E CA -0.516 55.875 56.400 -0.016 0.000 0.813 989 E CB 1.987 31.679 29.700 -0.013 0.000 1.151 989 E HN 0.855 nan 8.360 nan 0.000 0.398 990 A N 1.606 124.423 122.820 -0.006 0.000 2.583 990 A HA 0.324 4.641 4.320 -0.005 0.000 0.298 990 A C -0.661 176.925 177.584 0.005 0.000 1.055 990 A CA -0.687 51.350 52.037 0.000 0.000 0.714 990 A CB 1.618 20.618 19.000 0.000 0.000 1.277 990 A HN 0.422 nan 8.150 nan 0.000 0.406 991 S N 1.611 117.317 115.700 0.009 0.000 2.558 991 S HA 0.407 4.874 4.470 -0.005 0.000 0.288 991 S C -1.847 172.764 174.600 0.018 0.000 1.318 991 S CA -0.373 57.835 58.200 0.013 0.000 1.056 991 S CB -0.262 62.947 63.200 0.015 0.000 0.853 991 S HN 0.503 nan 8.310 nan 0.000 0.505 992 P HA 0.083 nan 4.420 nan 0.000 0.269 992 P C -0.859 176.463 177.300 0.035 0.000 1.211 992 P CA -0.071 63.044 63.100 0.024 0.000 0.781 992 P CB 0.272 31.984 31.700 0.020 0.000 0.877 993 L N 2.734 123.984 121.223 0.046 0.000 2.342 993 L HA 0.129 4.466 4.340 -0.005 0.000 0.285 993 L C 0.790 177.691 176.870 0.052 0.000 1.095 993 L CA -0.625 54.255 54.840 0.067 0.000 0.843 993 L CB -0.226 41.894 42.059 0.101 0.000 1.201 993 L HN 0.467 nan 8.230 nan 0.000 0.445 994 D N 2.918 123.344 120.400 0.043 0.000 2.472 994 D HA -0.075 4.562 4.640 -0.005 0.000 0.237 994 D C 0.718 177.033 176.300 0.025 0.000 1.141 994 D CA -0.170 53.849 54.000 0.030 0.000 0.875 994 D CB 1.134 41.951 40.800 0.029 0.000 1.192 994 D HN 0.517 nan 8.370 nan 0.000 0.450 995 E N 0.986 121.192 120.200 0.011 0.000 2.068 995 E HA -0.239 4.108 4.350 -0.005 0.000 0.207 995 E C 2.074 178.663 176.600 -0.018 0.000 1.032 995 E CA 1.616 58.013 56.400 -0.005 0.000 0.839 995 E CB -0.167 29.516 29.700 -0.028 0.000 0.758 995 E HN 0.600 nan 8.360 nan 0.000 0.457 996 I N 0.516 121.066 120.570 -0.033 0.000 2.145 996 I HA -0.322 3.845 4.170 -0.005 0.000 0.244 996 I C 2.712 178.807 176.117 -0.036 0.000 1.075 996 I CA 1.448 62.722 61.300 -0.043 0.000 1.332 996 I CB -0.569 37.431 38.000 -0.000 0.000 1.033 996 I HN 0.130 nan 8.210 nan 0.000 0.410 997 T N 0.268 114.804 114.554 -0.029 0.000 2.867 997 T HA -0.159 4.187 4.350 -0.005 0.000 0.268 997 T C 1.821 176.490 174.700 -0.053 0.000 1.057 997 T CA 1.182 63.236 62.100 -0.077 0.000 1.136 997 T CB -0.109 68.743 68.868 -0.027 0.000 0.874 997 T HN 0.280 nan 8.240 nan 0.000 0.466 998 M N 0.116 119.744 119.600 0.047 0.000 2.156 998 M HA 0.029 4.505 4.480 -0.005 0.000 0.264 998 M C 1.945 178.318 176.300 0.122 0.000 1.067 998 M CA 1.466 56.842 55.300 0.128 0.000 1.131 998 M CB -0.250 32.405 32.600 0.091 0.000 1.368 998 M HN 0.258 nan 8.290 nan 0.000 0.416 999 L N -0.348 120.921 121.223 0.077 0.000 2.056 999 L HA -0.200 4.137 4.340 -0.005 0.000 0.207 999 L C 2.652 179.646 176.870 0.206 0.000 1.078 999 L CA 1.270 56.196 54.840 0.143 0.000 0.749 999 L CB -0.789 41.293 42.059 0.038 0.000 0.901 999 L HN 0.342 nan 8.230 nan 0.000 0.433 1000 R N -0.546 120.002 120.500 0.080 0.000 2.119 1000 R HA -0.242 4.095 4.340 -0.005 0.000 0.246 1000 R C 2.321 178.579 176.300 -0.069 0.000 1.146 1000 R CA 1.985 58.078 56.100 -0.013 0.000 0.962 1000 R CB -0.415 29.776 30.300 -0.182 0.000 0.863 1000 R HN 0.312 nan 8.270 nan 0.000 0.442 1001 Y N 0.411 120.722 120.300 0.018 0.000 2.133 1001 Y HA -0.180 4.367 4.550 -0.005 0.000 0.287 1001 Y C 2.451 178.322 175.900 -0.049 0.000 1.134 1001 Y CA 1.373 59.463 58.100 -0.018 0.000 1.133 1001 Y CB -0.050 38.403 38.460 -0.012 0.000 0.987 1001 Y HN 0.190 nan 8.280 nan 0.000 0.502 1002 E N 0.469 120.749 120.200 0.134 0.000 2.108 1002 E HA -0.333 4.014 4.350 -0.005 0.000 0.203 1002 E C 2.107 178.654 176.600 -0.088 0.000 1.022 1002 E CA 1.691 58.105 56.400 0.023 0.000 0.823 1002 E CB -0.275 29.460 29.700 0.059 0.000 0.744 1002 E HN 0.369 nan 8.360 nan 0.000 0.456 1003 K N 1.085 121.370 120.400 -0.192 0.000 2.062 1003 K HA -0.169 4.148 4.320 -0.005 0.000 0.205 1003 K C 2.059 178.536 176.600 -0.204 0.000 1.051 1003 K CA 0.992 57.058 56.287 -0.369 0.000 0.941 1003 K CB -0.029 31.965 32.500 -0.843 0.000 0.719 1003 K HN 0.056 nan 8.250 nan 0.000 0.440 1004 E N -0.316 119.817 120.200 -0.113 0.000 2.267 1004 E HA -0.176 4.171 4.350 -0.005 0.000 0.197 1004 E C 1.327 177.906 176.600 -0.035 0.000 0.998 1004 E CA 1.061 57.435 56.400 -0.043 0.000 0.830 1004 E CB 0.071 29.793 29.700 0.038 0.000 0.751 1004 E HN 0.427 nan 8.360 nan 0.000 0.491 1005 A N -0.354 122.437 122.820 -0.048 0.000 2.085 1005 A HA 0.184 4.501 4.320 -0.005 0.000 0.208 1005 A C 1.602 179.113 177.584 -0.122 0.000 1.191 1005 A CA 0.017 52.014 52.037 -0.066 0.000 0.799 1005 A CB 0.459 19.426 19.000 -0.054 0.000 0.877 1005 A HN 0.233 nan 8.150 nan 0.000 0.473 1006 L N -1.856 119.273 121.223 -0.158 0.000 3.298 1006 L HA 0.316 4.653 4.340 -0.005 0.000 0.296 1006 L C 1.536 178.307 176.870 -0.166 0.000 1.237 1006 L CA 0.511 55.219 54.840 -0.220 0.000 1.038 1006 L CB 0.793 42.653 42.059 -0.332 0.000 1.423 1006 L HN 0.526 nan 8.230 nan 0.000 0.605 1007 G N 1.655 110.372 108.800 -0.137 0.000 2.562 1007 G HA2 -0.372 3.585 3.960 -0.005 0.000 0.241 1007 G HA3 -0.372 3.585 3.960 -0.005 0.000 0.241 1007 G C 0.358 175.169 174.900 -0.148 0.000 1.120 1007 G CA 0.898 45.934 45.100 -0.107 0.000 0.673 1007 G HN 0.416 nan 8.290 nan 0.000 0.519 1008 I N -2.985 117.501 120.570 -0.140 0.000 3.067 1008 I HA 0.817 4.984 4.170 -0.005 0.000 0.312 1008 I C -0.126 175.883 176.117 -0.180 0.000 1.073 1008 I CA -2.169 59.060 61.300 -0.119 0.000 1.016 1008 I CB 1.274 39.317 38.000 0.071 0.000 1.227 1008 I HN 0.004 nan 8.210 nan 0.000 0.456 1009 Y N 2.254 122.571 120.300 0.029 0.000 2.299 1009 Y HA 0.650 5.196 4.550 -0.006 0.000 0.326 1009 Y C 0.049 175.993 175.900 0.074 0.000 1.164 1009 Y CA -0.622 57.489 58.100 0.018 0.000 1.234 1009 Y CB 1.469 39.916 38.460 -0.022 0.000 1.219 1009 Y HN 0.274 nan 8.280 nan 0.000 0.497 1010 V N 1.776 121.823 119.914 0.221 0.000 2.769 1010 V HA 0.388 4.505 4.120 -0.005 0.000 0.312 1010 V C 0.085 176.272 176.094 0.154 0.000 1.061 1010 V CA -1.047 61.370 62.300 0.195 0.000 0.931 1010 V CB 1.701 33.631 31.823 0.177 0.000 1.010 1010 V HN 0.887 nan 8.190 nan 0.000 0.433 1011 S N 2.413 118.192 115.700 0.132 0.000 3.797 1011 S HA 0.014 4.481 4.470 -0.005 0.000 0.374 1011 S C 0.260 174.904 174.600 0.073 0.000 0.970 1011 S CA 1.128 59.383 58.200 0.091 0.000 1.177 1011 S CB -1.190 62.057 63.200 0.077 0.000 0.891 1011 S HN 2.822 nan 8.310 nan 0.000 0.491 1012 G N 0.511 109.356 108.800 0.075 0.000 2.342 1012 G HA2 0.313 4.270 3.960 -0.005 0.000 0.220 1012 G HA3 0.313 4.270 3.960 -0.005 0.000 0.220 1012 G C -0.706 174.218 174.900 0.039 0.000 1.243 1012 G CA 0.330 45.454 45.100 0.040 0.000 1.083 1012 G HN 2.065 nan 8.290 nan 0.000 0.500 1013 H N -0.617 118.329 119.070 -0.207 0.000 3.120 1013 H HA 0.435 4.988 4.556 -0.005 0.000 0.314 1013 H C -2.208 172.886 175.328 -0.391 0.000 1.151 1013 H CA -0.326 55.469 56.048 -0.420 0.000 1.404 1013 H CB 1.762 31.347 29.762 -0.295 0.000 2.031 1013 H HN 0.324 nan 8.280 nan 0.000 0.513 1014 P HA -0.222 nan 4.420 nan 0.000 0.217 1014 P C 1.479 178.619 177.300 -0.267 0.000 1.158 1014 P CA 1.415 64.319 63.100 -0.327 0.000 0.887 1014 P CB 0.172 31.669 31.700 -0.338 0.000 0.792 1015 V N -0.857 119.095 119.914 0.062 0.000 2.867 1015 V HA -0.168 3.949 4.120 -0.005 0.000 0.260 1015 V C 2.064 178.062 176.094 -0.160 0.000 1.099 1015 V CA 1.304 63.568 62.300 -0.059 0.000 1.122 1015 V CB -1.008 30.807 31.823 -0.014 0.000 0.708 1015 V HN 0.074 nan 8.190 nan 0.000 0.490 1016 L N -0.850 120.284 121.223 -0.150 0.000 2.291 1016 L HA -0.066 4.271 4.340 -0.005 0.000 0.214 1016 L C 2.626 179.399 176.870 -0.162 0.000 1.120 1016 L CA 1.113 55.873 54.840 -0.134 0.000 0.799 1016 L CB -0.526 41.479 42.059 -0.090 0.000 0.925 1016 L HN 0.262 nan 8.230 nan 0.000 0.446 1017 R N 0.389 120.712 120.500 -0.296 0.000 2.062 1017 R HA -0.099 4.238 4.340 -0.005 0.000 0.226 1017 R C -0.012 176.173 176.300 -0.192 0.000 1.125 1017 R CA 0.868 56.800 56.100 -0.279 0.000 0.966 1017 R CB 0.119 30.209 30.300 -0.350 0.000 0.861 1017 R HN 0.273 nan 8.270 nan 0.000 0.433 1018 Y N -0.858 119.440 120.300 -0.003 0.000 2.593 1018 Y HA 0.450 4.996 4.550 -0.006 0.000 0.331 1018 Y C -2.206 173.682 175.900 -0.020 0.000 0.986 1018 Y CA -3.644 54.453 58.100 -0.005 0.000 1.262 1018 Y CB 0.800 39.258 38.460 -0.002 0.000 1.098 1018 Y HN -0.020 nan 8.280 nan 0.000 0.506 1019 P HA -0.028 nan 4.420 nan 0.000 0.222 1019 P C 1.922 179.216 177.300 -0.011 0.000 1.153 1019 P CA 1.534 64.641 63.100 0.012 0.000 0.798 1019 P CB 0.292 31.990 31.700 -0.004 0.000 0.796 1020 G N 0.909 109.724 108.800 0.025 0.000 2.663 1020 G HA2 -0.324 3.632 3.960 -0.005 0.000 0.222 1020 G HA3 -0.324 3.632 3.960 -0.005 0.000 0.222 1020 G C 1.477 176.340 174.900 -0.062 0.000 1.146 1020 G CA 1.082 46.170 45.100 -0.020 0.000 0.764 1020 G HN 0.270 nan 8.290 nan 0.000 0.608 1021 L N -0.564 120.650 121.223 -0.016 0.000 2.093 1021 L HA -0.038 4.299 4.340 -0.005 0.000 0.208 1021 L C 3.253 180.068 176.870 -0.093 0.000 1.085 1021 L CA 0.772 55.586 54.840 -0.044 0.000 0.755 1021 L CB -0.359 41.721 42.059 0.035 0.000 0.904 1021 L HN 0.135 nan 8.230 nan 0.000 0.435 1022 R N 0.483 120.929 120.500 -0.091 0.000 2.097 1022 R HA -0.177 4.160 4.340 -0.005 0.000 0.236 1022 R C 1.988 178.181 176.300 -0.177 0.000 1.135 1022 R CA 1.531 57.552 56.100 -0.133 0.000 0.934 1022 R CB -0.686 29.528 30.300 -0.143 0.000 0.846 1022 R HN 0.462 nan 8.270 nan 0.000 0.431 1023 E N 0.243 120.319 120.200 -0.206 0.000 2.338 1023 E HA -0.079 4.268 4.350 -0.005 0.000 0.197 1023 E C 1.986 178.430 176.600 -0.259 0.000 1.007 1023 E CA 0.604 56.852 56.400 -0.253 0.000 0.849 1023 E CB -0.044 29.481 29.700 -0.290 0.000 0.774 1023 E HN 0.141 nan 8.360 nan 0.000 0.506 1024 V N 1.033 120.793 119.914 -0.257 0.000 2.949 1024 V HA 0.131 4.247 4.120 -0.005 0.000 0.245 1024 V C 1.062 176.986 176.094 -0.283 0.000 1.086 1024 V CA 0.543 62.656 62.300 -0.313 0.000 1.097 1024 V CB 0.006 31.586 31.823 -0.404 0.000 0.762 1024 V HN 0.152 nan 8.190 nan 0.000 0.470 1025 A N 0.583 123.263 122.820 -0.233 0.000 2.531 1025 A HA 0.183 4.499 4.320 -0.005 0.000 0.236 1025 A C 1.601 179.063 177.584 -0.203 0.000 1.062 1025 A CA 0.744 52.665 52.037 -0.193 0.000 0.760 1025 A CB 0.232 19.140 19.000 -0.152 0.000 0.995 1025 A HN 0.545 nan 8.150 nan 0.000 0.501 1026 S N 0.242 115.818 115.700 -0.207 0.000 2.436 1026 S HA 0.060 4.527 4.470 -0.005 0.000 0.228 1026 S C 0.722 175.054 174.600 -0.447 0.000 1.014 1026 S CA 0.653 58.675 58.200 -0.296 0.000 0.950 1026 S CB -0.585 62.464 63.200 -0.251 0.000 0.784 1026 S HN 0.749 nan 8.310 nan 0.000 0.504 1027 C N -0.493 118.611 119.300 -0.328 0.000 3.336 1027 C HA 0.798 5.254 4.460 -0.005 0.000 0.352 1027 C C 0.260 175.145 174.990 -0.175 0.000 1.567 1027 C CA -0.782 58.054 59.018 -0.304 0.000 1.328 1027 C CB 1.455 29.028 27.740 -0.279 0.000 1.922 1027 C HN 0.419 nan 8.230 nan 0.000 0.439 1028 T N 0.018 114.495 114.554 -0.129 0.000 2.952 1028 T HA 0.439 4.786 4.350 -0.005 0.000 0.286 1028 T C 1.207 175.872 174.700 -0.058 0.000 1.024 1028 T CA -0.517 61.530 62.100 -0.089 0.000 1.029 1028 T CB 0.438 69.259 68.868 -0.078 0.000 1.094 1028 T HN 0.431 nan 8.240 nan 0.000 0.515 1029 I N 1.473 122.017 120.570 -0.043 0.000 2.264 1029 I HA -0.093 4.074 4.170 -0.005 0.000 0.248 1029 I C 2.366 178.478 176.117 -0.008 0.000 1.111 1029 I CA 1.522 62.810 61.300 -0.020 0.000 1.382 1029 I CB -1.168 36.823 38.000 -0.014 0.000 1.060 1029 I HN 0.759 nan 8.210 nan 0.000 0.418 1030 E N 1.919 122.112 120.200 -0.011 0.000 2.021 1030 E HA -0.252 4.095 4.350 -0.005 0.000 0.200 1030 E C 2.007 178.616 176.600 0.014 0.000 1.015 1030 E CA 1.967 58.368 56.400 0.002 0.000 0.824 1030 E CB -0.231 29.469 29.700 -0.001 0.000 0.762 1030 E HN 0.493 nan 8.360 nan 0.000 0.454 1031 E N 0.642 120.848 120.200 0.011 0.000 2.268 1031 E HA -0.129 4.218 4.350 -0.005 0.000 0.195 1031 E C 2.170 178.815 176.600 0.076 0.000 0.995 1031 E CA 0.419 56.843 56.400 0.039 0.000 0.836 1031 E CB -0.212 29.501 29.700 0.022 0.000 0.763 1031 E HN 0.288 nan 8.360 nan 0.000 0.491 1032 L N 1.435 122.689 121.223 0.052 0.000 1.991 1032 L HA -0.340 3.997 4.340 -0.005 0.000 0.221 1032 L C 2.553 179.492 176.870 0.114 0.000 1.079 1032 L CA 2.398 57.290 54.840 0.086 0.000 0.778 1032 L CB -0.748 41.338 42.059 0.045 0.000 0.893 1032 L HN 0.295 nan 8.230 nan 0.000 0.437 1033 S N -1.114 114.628 115.700 0.069 0.000 2.372 1033 S HA -0.340 4.127 4.470 -0.005 0.000 0.227 1033 S C 1.775 176.411 174.600 0.061 0.000 1.044 1033 S CA 2.024 60.255 58.200 0.053 0.000 1.050 1033 S CB -0.565 62.654 63.200 0.033 0.000 0.901 1033 S HN 0.618 nan 8.310 nan 0.000 0.447 1034 E N -0.413 119.833 120.200 0.077 0.000 2.250 1034 E HA 0.116 4.463 4.350 -0.005 0.000 0.192 1034 E C 1.647 178.306 176.600 0.099 0.000 0.986 1034 E CA 0.270 56.711 56.400 0.067 0.000 0.849 1034 E CB -0.146 29.589 29.700 0.059 0.000 0.797 1034 E HN 0.639 nan 8.360 nan 0.000 0.482 1035 F N 0.124 120.073 119.950 -0.002 0.000 2.113 1035 F HA -0.145 4.378 4.527 -0.005 0.000 0.297 1035 F C 1.798 177.596 175.800 -0.005 0.000 1.103 1035 F CA 1.090 59.088 58.000 -0.003 0.000 1.248 1035 F CB -0.241 38.755 39.000 -0.007 0.000 0.999 1035 F HN -0.139 nan 8.300 nan 0.000 0.475 1036 V N 1.035 120.978 119.914 0.050 0.000 2.273 1036 V HA -0.214 3.903 4.120 -0.005 0.000 0.242 1036 V C 2.479 178.516 176.094 -0.096 0.000 1.035 1036 V CA 1.989 64.263 62.300 -0.043 0.000 1.013 1036 V CB -0.577 31.309 31.823 0.104 0.000 0.652 1036 V HN 0.239 nan 8.190 nan 0.000 0.452 1037 R N 0.230 120.704 120.500 -0.044 0.000 2.159 1037 R HA -0.211 4.126 4.340 -0.005 0.000 0.252 1037 R C 1.468 177.721 176.300 -0.078 0.000 1.144 1037 R CA 1.610 57.682 56.100 -0.046 0.000 0.961 1037 R CB -0.289 29.994 30.300 -0.029 0.000 0.877 1037 R HN 0.449 nan 8.270 nan 0.000 0.444 1038 E N 0.999 121.131 120.200 -0.113 0.000 1.924 1038 E HA 0.082 4.429 4.350 -0.005 0.000 0.261 1038 E C -0.546 175.933 176.600 -0.203 0.000 1.088 1038 E CA -0.027 56.295 56.400 -0.130 0.000 0.909 1038 E CB 0.416 30.049 29.700 -0.112 0.000 1.112 1038 E HN 0.020 nan 8.360 nan 0.000 0.425 1039 L N 4.564 125.690 121.223 -0.162 0.000 3.252 1039 L HA 0.407 4.744 4.340 -0.005 0.000 0.223 1039 L C -2.075 174.739 176.870 -0.093 0.000 1.687 1039 L CA -0.215 54.524 54.840 -0.167 0.000 2.100 1039 L CB 0.021 41.946 42.059 -0.223 0.000 2.021 1039 L HN 0.407 nan 8.230 nan 0.000 0.631 1040 P HA 0.501 nan 4.420 nan 0.000 0.339 1040 P C -1.087 176.194 177.300 -0.033 0.000 1.267 1040 P CA -0.202 62.873 63.100 -0.041 0.000 0.801 1040 P CB 0.213 31.897 31.700 -0.026 0.000 1.860 1041 G N -0.452 108.336 108.800 -0.020 0.000 2.335 1041 G HA2 0.462 4.418 3.960 -0.005 0.000 0.314 1041 G HA3 0.462 4.418 3.960 -0.005 0.000 0.314 1041 G C -0.836 174.061 174.900 -0.005 0.000 1.129 1041 G CA -0.613 44.479 45.100 -0.014 0.000 0.912 1041 G HN 0.466 nan 8.290 nan 0.000 0.443 1042 K N 1.324 121.722 120.400 -0.002 0.000 4.387 1042 K HA -0.147 4.170 4.320 -0.005 0.000 0.290 1042 K C -2.457 174.153 176.600 0.016 0.000 0.936 1042 K CA 0.166 56.458 56.287 0.009 0.000 0.890 1042 K CB -0.831 31.676 32.500 0.011 0.000 1.617 1042 K HN 0.443 nan 8.250 nan 0.000 0.437 1043 P HA 0.223 nan 4.420 nan 0.000 0.278 1043 P C -0.745 176.587 177.300 0.053 0.000 1.258 1043 P CA -0.519 62.600 63.100 0.032 0.000 0.811 1043 P CB 0.859 32.573 31.700 0.023 0.000 1.063 1044 K N 0.116 120.557 120.400 0.068 0.000 2.203 1044 K HA 0.751 5.068 4.320 -0.005 0.000 0.251 1044 K C -0.989 175.677 176.600 0.110 0.000 0.944 1044 K CA -0.893 55.444 56.287 0.084 0.000 0.829 1044 K CB 1.972 34.523 32.500 0.084 0.000 1.125 1044 K HN 0.139 nan 8.250 nan 0.000 0.430 1045 V N 2.501 122.484 119.914 0.115 0.000 3.242 1045 V HA 0.465 4.582 4.120 -0.005 0.000 0.298 1045 V C -1.980 174.177 176.094 0.105 0.000 1.352 1045 V CA -1.029 61.344 62.300 0.122 0.000 1.052 1045 V CB 2.189 34.098 31.823 0.144 0.000 1.101 1045 V HN 0.676 nan 8.190 nan 0.000 0.446 1046 L N 2.407 123.674 121.223 0.074 0.000 2.313 1046 L HA 0.888 5.225 4.340 -0.005 0.000 0.283 1046 L C -1.361 175.513 176.870 0.007 0.000 1.013 1046 L CA -0.402 54.480 54.840 0.069 0.000 0.816 1046 L CB 1.505 43.601 42.059 0.061 0.000 1.236 1046 L HN 0.460 nan 8.230 nan 0.000 0.419 1047 L N 3.373 124.621 121.223 0.041 0.000 2.381 1047 L HA 0.731 5.068 4.340 -0.005 0.000 0.268 1047 L C -0.256 176.639 176.870 0.042 0.000 0.997 1047 L CA -0.349 54.501 54.840 0.017 0.000 0.818 1047 L CB 2.545 44.620 42.059 0.027 0.000 1.310 1047 L HN 0.901 nan 8.230 nan 0.000 0.416 1048 S N 0.919 116.626 115.700 0.012 0.000 2.672 1048 S HA 0.962 5.429 4.470 -0.005 0.000 0.291 1048 S C -0.524 174.097 174.600 0.036 0.000 1.145 1048 S CA -0.251 57.967 58.200 0.030 0.000 1.013 1048 S CB 1.980 65.169 63.200 -0.017 0.000 1.017 1048 S HN 0.935 nan 8.310 nan 0.000 0.487 1049 G N 1.640 110.492 108.800 0.088 0.000 2.578 1049 G HA2 0.568 4.525 3.960 -0.005 0.000 0.302 1049 G HA3 0.568 4.525 3.960 -0.005 0.000 0.302 1049 G C -1.781 173.218 174.900 0.166 0.000 1.243 1049 G CA -0.833 44.331 45.100 0.107 0.000 0.843 1049 G HN 0.722 nan 8.290 nan 0.000 0.486 1050 M N 0.528 120.253 119.600 0.208 0.000 2.423 1050 M HA 0.693 5.170 4.480 -0.005 0.000 0.335 1050 M C -0.195 176.228 176.300 0.204 0.000 1.177 1050 M CA -0.807 54.612 55.300 0.198 0.000 1.038 1050 M CB 1.863 34.574 32.600 0.185 0.000 1.641 1050 M HN 0.312 nan 8.290 nan 0.000 0.455 1051 V N 3.123 123.146 119.914 0.181 0.000 2.617 1051 V HA 0.446 4.563 4.120 -0.005 0.000 0.298 1051 V C -0.146 176.048 176.094 0.167 0.000 1.048 1051 V CA -0.424 62.005 62.300 0.216 0.000 0.964 1051 V CB 1.473 33.381 31.823 0.142 0.000 1.004 1051 V HN 0.887 nan 8.190 nan 0.000 0.466 1052 E N 1.732 122.040 120.200 0.179 0.000 3.625 1052 E HA 0.372 4.719 4.350 -0.005 0.000 0.166 1052 E C -0.931 175.730 176.600 0.102 0.000 0.978 1052 E CA -0.075 56.394 56.400 0.116 0.000 1.429 1052 E CB 1.072 30.831 29.700 0.098 0.000 1.100 1052 E HN 0.739 nan 8.360 nan 0.000 0.428 1053 E N -0.421 119.854 120.200 0.126 0.000 2.388 1053 E HA 0.309 4.656 4.350 -0.005 0.000 0.280 1053 E C -1.032 175.624 176.600 0.094 0.000 1.019 1053 E CA -0.546 55.919 56.400 0.107 0.000 0.806 1053 E CB 1.836 31.613 29.700 0.129 0.000 1.246 1053 E HN -0.067 nan 8.360 nan 0.000 0.443 1068 F N -0.016 119.933 119.950 -0.002 0.000 2.595 1068 F HA 0.295 4.820 4.527 -0.004 0.000 0.359 1068 F C 0.163 175.970 175.800 0.012 0.000 1.147 1068 F CA 0.284 58.286 58.000 0.005 0.000 1.341 1068 F CB 0.618 39.620 39.000 0.003 0.000 1.104 1068 F HN -0.225 nan 8.300 nan 0.000 0.603 1069 T N 6.011 120.565 114.554 -0.000 0.000 2.771 1069 T HA 0.475 4.822 4.350 -0.005 0.000 0.281 1069 T C -0.855 173.862 174.700 0.029 0.000 0.982 1069 T CA -0.456 61.596 62.100 -0.080 0.000 0.978 1069 T CB 1.074 69.936 68.868 -0.010 0.000 0.930 1069 T HN 0.655 nan 8.240 nan 0.000 0.447 1070 L N 4.383 125.578 121.223 -0.047 0.000 2.296 1070 L HA 0.664 5.000 4.340 -0.005 0.000 0.286 1070 L C -0.138 176.780 176.870 0.080 0.000 1.023 1070 L CA -0.103 54.785 54.840 0.080 0.000 0.812 1070 L CB 1.396 43.495 42.059 0.067 0.000 1.223 1070 L HN 0.690 nan 8.230 nan 0.000 0.421 1071 S N 1.850 117.636 115.700 0.144 0.000 2.502 1071 S HA 0.708 5.175 4.470 -0.005 0.000 0.304 1071 S C -0.840 173.844 174.600 0.140 0.000 1.097 1071 S CA -1.008 57.291 58.200 0.164 0.000 1.045 1071 S CB 1.658 65.013 63.200 0.258 0.000 1.019 1071 S HN 0.535 nan 8.310 nan 0.000 0.481 1072 D N 1.120 121.520 120.400 -0.001 0.000 2.529 1072 D HA 0.210 4.847 4.640 -0.005 0.000 0.273 1072 D C 1.243 177.271 176.300 -0.453 0.000 1.197 1072 D CA -0.658 53.210 54.000 -0.220 0.000 1.070 1072 D CB 0.426 41.139 40.800 -0.144 0.000 1.134 1072 D HN 0.758 nan 8.370 nan 0.000 0.590 1073 E N -0.732 119.100 120.200 -0.614 0.000 2.526 1073 E HA -0.067 4.280 4.350 -0.005 0.000 0.198 1073 E C 0.004 176.529 176.600 -0.125 0.000 1.091 1073 E CA 0.685 56.850 56.400 -0.392 0.000 0.880 1073 E CB -0.441 29.081 29.700 -0.297 0.000 0.873 1073 E HN 0.375 nan 8.360 nan 0.000 0.527 1074 T N -2.227 112.266 114.554 -0.103 0.000 3.087 1074 T HA 0.483 4.830 4.350 -0.005 0.000 0.283 1074 T C 0.495 175.191 174.700 -0.006 0.000 0.956 1074 T CA -0.076 62.001 62.100 -0.038 0.000 0.894 1074 T CB 1.245 70.083 68.868 -0.050 0.000 1.160 1074 T HN 0.375 nan 8.240 nan 0.000 0.532 1075 G N 0.544 109.349 108.800 0.007 0.000 2.321 1075 G HA2 0.606 4.563 3.960 -0.005 0.000 0.296 1075 G HA3 0.606 4.563 3.960 -0.005 0.000 0.296 1075 G C -2.208 172.715 174.900 0.040 0.000 1.287 1075 G CA -0.208 44.907 45.100 0.024 0.000 0.846 1075 G HN 0.581 nan 8.290 nan 0.000 0.508 1076 A N -0.458 122.377 122.820 0.026 0.000 2.398 1076 A HA 0.843 5.160 4.320 -0.005 0.000 0.301 1076 A C -1.168 176.410 177.584 -0.011 0.000 1.041 1076 A CA -0.434 51.616 52.037 0.022 0.000 0.711 1076 A CB 1.391 20.410 19.000 0.030 0.000 1.240 1076 A HN 1.022 nan 8.150 nan 0.000 0.420 1077 L N 2.127 123.327 121.223 -0.038 0.000 2.438 1077 L HA 0.381 4.718 4.340 -0.005 0.000 0.270 1077 L C -0.479 176.305 176.870 -0.144 0.000 0.972 1077 L CA -0.825 53.969 54.840 -0.077 0.000 0.831 1077 L CB 2.098 44.111 42.059 -0.077 0.000 1.273 1077 L HN 0.708 nan 8.230 nan 0.000 0.405 1078 E N 2.858 122.982 120.200 -0.127 0.000 2.417 1078 E HA 0.201 4.547 4.350 -0.005 0.000 0.261 1078 E C -0.716 175.744 176.600 -0.234 0.000 1.000 1078 E CA 0.246 56.547 56.400 -0.166 0.000 0.919 1078 E CB 1.908 31.550 29.700 -0.097 0.000 0.955 1078 E HN 0.276 nan 8.360 nan 0.000 0.455 1079 V N 4.042 123.715 119.914 -0.402 0.000 2.752 1079 V HA 0.411 4.527 4.120 -0.005 0.000 0.302 1079 V C -0.877 174.970 176.094 -0.412 0.000 1.133 1079 V CA -0.552 61.482 62.300 -0.443 0.000 0.919 1079 V CB 1.921 33.407 31.823 -0.562 0.000 1.026 1079 V HN 0.380 nan 8.190 nan 0.000 0.429 1095 E N 2.497 122.705 120.200 0.013 0.000 2.414 1095 E HA -0.067 4.280 4.350 -0.005 0.000 0.263 1095 E C -0.725 175.892 176.600 0.027 0.000 1.000 1095 E CA 1.101 57.518 56.400 0.028 0.000 0.914 1095 E CB 0.255 29.967 29.700 0.020 0.000 0.948 1095 E HN 0.498 nan 8.360 nan 0.000 0.444 1096 D N 2.380 122.809 120.400 0.050 0.000 2.708 1096 D HA -0.223 4.414 4.640 -0.005 0.000 0.236 1096 D C -0.623 175.709 176.300 0.052 0.000 1.146 1096 D CA 0.756 54.789 54.000 0.055 0.000 0.662 1096 D CB -0.849 39.973 40.800 0.036 0.000 1.059 1096 D HN 0.350 nan 8.370 nan 0.000 0.428 1097 I N 0.723 121.323 120.570 0.050 0.000 2.465 1097 I HA 0.328 4.495 4.170 -0.005 0.000 0.291 1097 I C -2.103 174.055 176.117 0.067 0.000 1.014 1097 I CA -1.834 59.491 61.300 0.043 0.000 1.093 1097 I CB 2.287 40.288 38.000 0.002 0.000 1.267 1097 I HN -0.237 nan 8.210 nan 0.000 0.431 1098 P HA 0.441 nan 4.420 nan 0.000 0.278 1098 P C -1.111 176.232 177.300 0.072 0.000 1.238 1098 P CA -0.230 62.947 63.100 0.127 0.000 0.794 1098 P CB 1.522 33.364 31.700 0.237 0.000 0.955 1099 L N 1.457 122.734 121.223 0.089 0.000 2.303 1099 L HA 0.579 4.916 4.340 -0.005 0.000 0.256 1099 L C -0.509 176.432 176.870 0.118 0.000 1.034 1099 L CA -1.294 53.595 54.840 0.082 0.000 0.832 1099 L CB 2.032 44.107 42.059 0.027 0.000 1.403 1099 L HN 0.217 nan 8.230 nan 0.000 0.419 1100 L N 1.055 122.381 121.223 0.172 0.000 2.346 1100 L HA 0.763 5.100 4.340 -0.005 0.000 0.276 1100 L C -1.154 175.879 176.870 0.271 0.000 1.006 1100 L CA -0.408 54.553 54.840 0.202 0.000 0.817 1100 L CB 2.029 44.208 42.059 0.200 0.000 1.272 1100 L HN 0.237 nan 8.230 nan 0.000 0.421 1101 V N 5.804 125.850 119.914 0.219 0.000 2.483 1101 V HA 0.419 4.536 4.120 -0.005 0.000 0.297 1101 V C -0.306 175.905 176.094 0.196 0.000 1.027 1101 V CA -0.619 61.783 62.300 0.170 0.000 0.855 1101 V CB 1.657 33.596 31.823 0.194 0.000 0.995 1101 V HN 0.631 nan 8.190 nan 0.000 0.424 1102 L N 4.597 125.923 121.223 0.170 0.000 2.259 1102 L HA 0.807 5.144 4.340 -0.005 0.000 0.288 1102 L C 0.234 177.165 176.870 0.103 0.000 1.051 1102 L CA -0.055 54.906 54.840 0.202 0.000 0.824 1102 L CB 1.106 43.370 42.059 0.341 0.000 1.206 1102 L HN 0.875 nan 8.230 nan 0.000 0.429 1103 A N 4.134 127.015 122.820 0.101 0.000 2.449 1103 A HA 0.491 4.808 4.320 -0.005 0.000 0.302 1103 A C -0.902 176.723 177.584 0.068 0.000 1.048 1103 A CA -0.626 51.455 52.037 0.073 0.000 0.708 1103 A CB 1.811 20.851 19.000 0.066 0.000 1.274 1103 A HN 0.644 nan 8.150 nan 0.000 0.410 1104 E N 0.894 121.127 120.200 0.055 0.000 2.313 1104 E HA 0.585 4.932 4.350 -0.005 0.000 0.272 1104 E C -1.018 175.606 176.600 0.041 0.000 1.038 1104 E CA -0.284 56.146 56.400 0.050 0.000 0.863 1104 E CB 1.160 30.886 29.700 0.044 0.000 1.060 1104 E HN 0.448 nan 8.360 nan 0.000 0.402 1105 V N 2.506 122.444 119.914 0.040 0.000 3.102 1105 V HA 0.426 4.543 4.120 -0.005 0.000 0.312 1105 V C -0.624 175.485 176.094 0.026 0.000 1.135 1105 V CA -0.818 61.502 62.300 0.033 0.000 1.022 1105 V CB 2.109 33.958 31.823 0.044 0.000 1.056 1105 V HN 0.779 nan 8.190 nan 0.000 0.436 1113 V N 3.686 123.586 119.914 -0.023 0.000 2.525 1113 V HA 0.454 4.571 4.120 -0.005 0.000 0.299 1113 V C -0.447 175.633 176.094 -0.023 0.000 1.034 1113 V CA -0.725 61.566 62.300 -0.015 0.000 0.863 1113 V CB 1.744 33.555 31.823 -0.019 0.000 0.999 1113 V HN 0.582 nan 8.190 nan 0.000 0.423 1114 L N 4.267 125.491 121.223 0.001 0.000 2.296 1114 L HA 0.757 5.094 4.340 -0.005 0.000 0.286 1114 L C 0.692 177.579 176.870 0.028 0.000 1.023 1114 L CA -0.495 54.349 54.840 0.008 0.000 0.812 1114 L CB 1.693 43.760 42.059 0.014 0.000 1.223 1114 L HN 0.753 nan 8.230 nan 0.000 0.421 1115 A N 2.927 125.775 122.820 0.047 0.000 2.425 1115 A HA 0.254 4.570 4.320 -0.005 0.000 0.249 1115 A C 0.575 178.181 177.584 0.037 0.000 1.084 1115 A CA 0.061 52.140 52.037 0.071 0.000 0.781 1115 A CB 0.759 19.854 19.000 0.159 0.000 1.019 1115 A HN 0.922 nan 8.150 nan 0.000 0.490 1116 Q N 0.117 119.927 119.800 0.016 0.000 2.548 1116 Q HA 0.391 4.728 4.340 -0.005 0.000 0.230 1116 Q C 0.306 176.257 176.000 -0.081 0.000 0.899 1116 Q CA 0.907 56.704 55.803 -0.010 0.000 0.936 1116 Q CB 0.618 29.368 28.738 0.019 0.000 1.114 1116 Q HN 0.921 nan 8.270 nan 0.000 0.606 1117 A N 0.273 122.996 122.820 -0.161 0.000 2.572 1117 A HA 0.677 4.994 4.320 -0.005 0.000 0.295 1117 A C -1.297 175.895 177.584 -0.652 0.000 1.072 1117 A CA -0.496 51.291 52.037 -0.416 0.000 0.691 1117 A CB 1.860 20.573 19.000 -0.477 0.000 1.291 1117 A HN -0.009 nan 8.150 nan 0.000 0.404 1118 V N 0.342 119.750 119.914 -0.843 0.000 2.925 1118 V HA 0.676 4.793 4.120 -0.005 0.000 0.311 1118 V C -1.162 174.480 176.094 -0.752 0.000 1.104 1118 V CA -0.685 61.231 62.300 -0.640 0.000 0.954 1118 V CB 1.930 33.555 31.823 -0.329 0.000 1.022 1118 V HN 0.879 nan 8.190 nan 0.000 0.427 1119 W N 0.974 122.308 121.300 0.056 0.000 2.936 1119 W HA 0.553 5.211 4.660 -0.002 0.000 0.338 1119 W C 0.044 176.580 176.519 0.027 0.000 1.121 1119 W CA -0.644 56.742 57.345 0.067 0.000 1.209 1119 W CB 2.290 31.857 29.460 0.178 0.000 1.420 1119 W HN 0.641 nan 8.180 nan 0.000 0.516 1120 T N -0.007 114.684 114.554 0.229 0.000 2.910 1120 T HA 0.122 4.469 4.350 -0.005 0.000 0.293 1120 T C 1.064 175.819 174.700 0.092 0.000 1.015 1120 T CA -0.672 61.490 62.100 0.103 0.000 1.094 1120 T CB 1.615 70.511 68.868 0.047 0.000 0.968 1120 T HN 0.364 nan 8.240 nan 0.000 0.521 1121 L N 1.574 122.803 121.223 0.009 0.000 1.991 1121 L HA -0.206 4.130 4.340 -0.005 0.000 0.221 1121 L C 2.288 179.131 176.870 -0.045 0.000 1.079 1121 L CA 2.031 56.834 54.840 -0.062 0.000 0.778 1121 L CB -0.871 41.061 42.059 -0.212 0.000 0.893 1121 L HN 0.835 nan 8.230 nan 0.000 0.437 1122 E N -0.869 119.304 120.200 -0.044 0.000 2.347 1122 E HA -0.159 4.188 4.350 -0.005 0.000 0.196 1122 E C 2.039 178.641 176.600 0.004 0.000 1.008 1122 E CA 0.899 57.280 56.400 -0.032 0.000 0.852 1122 E CB -0.032 29.647 29.700 -0.036 0.000 0.783 1122 E HN 0.641 nan 8.360 nan 0.000 0.505 1123 E N -0.147 120.078 120.200 0.042 0.000 2.158 1123 E HA -0.092 4.255 4.350 -0.005 0.000 0.191 1123 E C 1.864 178.496 176.600 0.053 0.000 0.982 1123 E CA 0.623 57.062 56.400 0.064 0.000 0.823 1123 E CB 0.369 30.156 29.700 0.146 0.000 0.766 1123 E HN 0.113 nan 8.360 nan 0.000 0.468 1124 V N 1.157 121.122 119.914 0.086 0.000 2.488 1124 V HA -0.153 3.964 4.120 -0.005 0.000 0.246 1124 V C 2.071 178.193 176.094 0.045 0.000 1.046 1124 V CA 1.063 63.427 62.300 0.107 0.000 1.053 1124 V CB -0.192 31.692 31.823 0.102 0.000 0.679 1124 V HN 0.260 nan 8.190 nan 0.000 0.458 1125 L N -0.395 120.833 121.223 0.008 0.000 2.610 1125 L HA 0.015 4.352 4.340 -0.005 0.000 0.232 1125 L C 2.215 179.080 176.870 -0.007 0.000 1.149 1125 L CA 0.833 55.668 54.840 -0.007 0.000 0.872 1125 L CB -0.214 41.829 42.059 -0.027 0.000 0.992 1125 L HN 0.412 nan 8.230 nan 0.000 0.447 1126 E N 0.269 120.464 120.200 -0.008 0.000 2.162 1126 E HA 0.135 4.482 4.350 -0.005 0.000 0.193 1126 E C 1.002 177.583 176.600 -0.031 0.000 0.953 1126 E CA 0.100 56.490 56.400 -0.017 0.000 0.849 1126 E CB 0.287 29.977 29.700 -0.017 0.000 0.810 1126 E HN 0.359 nan 8.360 nan 0.000 0.470 1127 A N 3.610 126.399 122.820 -0.050 0.000 2.546 1127 A HA 0.094 4.411 4.320 -0.005 0.000 0.243 1127 A C -2.124 175.432 177.584 -0.047 0.000 1.063 1127 A CA -0.977 51.004 52.037 -0.092 0.000 0.757 1127 A CB -0.391 18.488 19.000 -0.201 0.000 0.991 1127 A HN 0.021 nan 8.150 nan 0.000 0.503 1128 P HA 0.079 nan 4.420 nan 0.000 0.267 1128 P C -0.360 176.940 177.300 -0.001 0.000 1.201 1128 P CA 0.273 63.361 63.100 -0.019 0.000 0.775 1128 P CB 0.494 32.182 31.700 -0.020 0.000 0.854 1129 K N 0.521 120.925 120.400 0.007 0.000 2.106 1129 K HA 0.734 5.051 4.320 -0.005 0.000 0.246 1129 K C -0.115 176.501 176.600 0.027 0.000 0.987 1129 K CA -0.669 55.624 56.287 0.011 0.000 0.904 1129 K CB 1.424 33.929 32.500 0.009 0.000 1.071 1129 K HN 0.571 nan 8.250 nan 0.000 0.453 1130 A N 0.932 123.765 122.820 0.022 0.000 2.532 1130 A HA 0.667 4.984 4.320 -0.005 0.000 0.290 1130 A C -1.891 175.728 177.584 0.059 0.000 1.143 1130 A CA -0.693 51.384 52.037 0.065 0.000 0.728 1130 A CB 1.078 20.154 19.000 0.127 0.000 1.317 1130 A HN 0.512 nan 8.150 nan 0.000 0.414 1131 L N 0.275 121.568 121.223 0.116 0.000 2.307 1131 L HA 0.645 4.982 4.340 -0.005 0.000 0.284 1131 L C -0.184 176.780 176.870 0.155 0.000 1.023 1131 L CA 0.074 54.978 54.840 0.107 0.000 0.810 1131 L CB 1.374 43.483 42.059 0.083 0.000 1.231 1131 L HN 0.761 nan 8.230 nan 0.000 0.423 1132 E N 3.946 124.224 120.200 0.130 0.000 2.185 1132 E HA 0.454 4.801 4.350 -0.005 0.000 0.261 1132 E C -1.556 175.144 176.600 0.166 0.000 0.879 1132 E CA -0.734 55.759 56.400 0.154 0.000 0.756 1132 E CB 1.619 31.367 29.700 0.080 0.000 1.152 1132 E HN 0.507 nan 8.360 nan 0.000 0.416 1133 V N 3.973 123.966 119.914 0.131 0.000 2.509 1133 V HA 0.215 4.331 4.120 -0.005 0.000 0.284 1133 V C 0.220 176.402 176.094 0.148 0.000 1.047 1133 V CA -0.425 61.938 62.300 0.105 0.000 0.952 1133 V CB 1.410 33.235 31.823 0.003 0.000 0.988 1133 V HN 0.695 nan 8.190 nan 0.000 0.469 1134 E N 2.717 123.027 120.200 0.183 0.000 2.174 1134 E HA 0.567 4.914 4.350 -0.005 0.000 0.282 1134 E C -1.321 175.384 176.600 0.175 0.000 0.992 1134 E CA -0.360 56.148 56.400 0.180 0.000 0.803 1134 E CB 2.013 31.841 29.700 0.214 0.000 1.090 1134 E HN 0.527 nan 8.360 nan 0.000 0.396 1135 V N 2.389 122.394 119.914 0.152 0.000 2.656 1135 V HA 0.247 4.364 4.120 -0.005 0.000 0.307 1135 V C -0.143 176.026 176.094 0.124 0.000 1.051 1135 V CA -1.118 61.276 62.300 0.156 0.000 0.893 1135 V CB 2.053 33.956 31.823 0.134 0.000 0.999 1135 V HN 0.591 nan 8.190 nan 0.000 0.426 1136 D N 0.363 120.828 120.400 0.109 0.000 2.354 1136 D HA 0.214 4.851 4.640 -0.005 0.000 0.247 1136 D C 0.883 177.244 176.300 0.103 0.000 1.138 1136 D CA -0.058 53.997 54.000 0.092 0.000 0.958 1136 D CB 1.181 42.017 40.800 0.060 0.000 1.144 1136 D HN 0.773 nan 8.370 nan 0.000 0.458 1137 H N 0.867 119.941 119.070 0.007 0.000 2.457 1137 H HA 0.134 4.686 4.556 -0.005 0.000 0.294 1137 H C 0.131 175.453 175.328 -0.011 0.000 1.064 1137 H CA 1.216 57.258 56.048 -0.010 0.000 1.330 1137 H CB 0.104 29.845 29.762 -0.035 0.000 1.395 1137 H HN 0.255 nan 8.280 nan 0.000 0.541 1138 A N 1.486 124.268 122.820 -0.064 0.000 2.990 1138 A HA 0.439 4.756 4.320 -0.005 0.000 0.282 1138 A C -0.564 176.974 177.584 -0.077 0.000 1.688 1138 A CA -0.442 51.532 52.037 -0.105 0.000 1.391 1138 A CB -1.411 17.565 19.000 -0.041 0.000 1.112 1138 A HN 0.456 nan 8.150 nan 0.000 0.588 1139 L N -0.605 120.553 121.223 -0.107 0.000 2.323 1139 L HA 0.878 5.214 4.340 -0.005 0.000 0.265 1139 L C -0.465 176.362 176.870 -0.071 0.000 1.012 1139 L CA -0.832 53.977 54.840 -0.052 0.000 0.820 1139 L CB 0.748 42.799 42.059 -0.013 0.000 1.334 1139 L HN 0.268 nan 8.230 nan 0.000 0.427 1140 L N 0.293 121.493 121.223 -0.038 0.000 2.440 1140 L HA 0.418 4.755 4.340 -0.005 0.000 0.262 1140 L C 0.994 177.841 176.870 -0.038 0.000 1.072 1140 L CA -0.353 54.464 54.840 -0.040 0.000 0.798 1140 L CB 1.010 43.054 42.059 -0.024 0.000 1.307 1140 L HN 0.895 nan 8.230 nan 0.000 0.475 1141 D N -0.121 120.258 120.400 -0.035 0.000 2.117 1141 D HA -0.159 4.477 4.640 -0.005 0.000 0.198 1141 D C 0.907 177.195 176.300 -0.021 0.000 0.982 1141 D CA 1.405 55.387 54.000 -0.030 0.000 0.828 1141 D CB 0.321 41.105 40.800 -0.026 0.000 0.967 1141 D HN 0.470 nan 8.370 nan 0.000 0.464 1142 E N -0.419 119.773 120.200 -0.014 0.000 2.303 1142 E HA 0.114 4.461 4.350 -0.005 0.000 0.211 1142 E C 0.817 177.422 176.600 0.008 0.000 1.223 1142 E CA 0.010 56.407 56.400 -0.005 0.000 1.344 1142 E CB 0.380 30.077 29.700 -0.005 0.000 1.299 1142 E HN 0.245 nan 8.360 nan 0.000 0.441 1143 K N -0.994 119.411 120.400 0.010 0.000 2.658 1143 K HA 0.146 4.463 4.320 -0.005 0.000 0.202 1143 K C 0.708 177.317 176.600 0.015 0.000 1.563 1143 K CA 0.056 56.366 56.287 0.038 0.000 1.129 1143 K CB 1.422 33.962 32.500 0.068 0.000 1.507 1143 K HN 0.101 nan 8.250 nan 0.000 0.581 1147 R N -0.596 119.912 120.500 0.013 0.000 2.056 1147 R HA -0.018 4.319 4.340 -0.005 0.000 0.227 1147 R C 2.046 178.355 176.300 0.014 0.000 1.149 1147 R CA 1.805 57.930 56.100 0.041 0.000 0.937 1147 R CB -0.207 30.154 30.300 0.101 0.000 0.835 1147 R HN 0.570 nan 8.270 nan 0.000 0.430 1148 L N 1.846 123.051 121.223 -0.030 0.000 1.994 1148 L HA -0.186 4.151 4.340 -0.005 0.000 0.208 1148 L C 2.100 178.919 176.870 -0.084 0.000 1.071 1148 L CA 1.846 56.600 54.840 -0.143 0.000 0.745 1148 L CB -0.288 41.626 42.059 -0.243 0.000 0.892 1148 L HN 0.047 nan 8.230 nan 0.000 0.431 1149 K N -0.732 119.632 120.400 -0.060 0.000 2.173 1149 K HA -0.220 4.097 4.320 -0.005 0.000 0.207 1149 K C 2.249 178.825 176.600 -0.038 0.000 1.046 1149 K CA 1.753 58.012 56.287 -0.047 0.000 0.929 1149 K CB -0.307 32.168 32.500 -0.041 0.000 0.720 1149 K HN 0.636 nan 8.250 nan 0.000 0.453 1150 S N 0.758 116.439 115.700 -0.032 0.000 2.406 1150 S HA -0.023 4.443 4.470 -0.005 0.000 0.224 1150 S C 2.008 176.586 174.600 -0.038 0.000 1.030 1150 S CA 0.351 58.531 58.200 -0.034 0.000 0.958 1150 S CB -0.330 62.856 63.200 -0.024 0.000 0.811 1150 S HN 0.203 nan 8.310 nan 0.000 0.489 1151 L N 0.838 122.053 121.223 -0.012 0.000 2.127 1151 L HA -0.024 4.312 4.340 -0.005 0.000 0.211 1151 L C 2.483 179.396 176.870 0.072 0.000 1.089 1151 L CA 1.095 55.956 54.840 0.035 0.000 0.757 1151 L CB -0.530 41.552 42.059 0.039 0.000 0.899 1151 L HN 0.363 nan 8.230 nan 0.000 0.434 1152 L N -1.182 120.052 121.223 0.018 0.000 2.162 1152 L HA -0.097 4.240 4.340 -0.005 0.000 0.205 1152 L C 2.040 178.910 176.870 -0.001 0.000 1.086 1152 L CA 0.575 55.438 54.840 0.038 0.000 0.778 1152 L CB -0.544 41.515 42.059 0.000 0.000 0.928 1152 L HN 0.189 nan 8.230 nan 0.000 0.446 1153 D N 0.687 121.061 120.400 -0.043 0.000 2.149 1153 D HA -0.188 4.449 4.640 -0.005 0.000 0.198 1153 D C 1.934 178.160 176.300 -0.124 0.000 0.990 1153 D CA 1.171 55.133 54.000 -0.064 0.000 0.839 1153 D CB 0.037 40.802 40.800 -0.058 0.000 0.948 1153 D HN 0.353 nan 8.370 nan 0.000 0.460 1154 E N -0.499 119.558 120.200 -0.239 0.000 2.418 1154 E HA -0.073 4.274 4.350 -0.005 0.000 0.197 1154 E C 0.077 176.270 176.600 -0.679 0.000 1.026 1154 E CA 0.561 56.682 56.400 -0.464 0.000 0.862 1154 E CB 0.169 29.532 29.700 -0.561 0.000 0.799 1154 E HN 0.494 nan 8.360 nan 0.000 0.518 1155 H N -0.121 118.945 119.070 -0.007 0.000 2.439 1155 H HA 0.222 4.775 4.556 -0.005 0.000 0.228 1155 H C -2.468 172.858 175.328 -0.004 0.000 1.423 1155 H CA -1.878 54.168 56.048 -0.004 0.000 1.386 1155 H CB 0.340 30.100 29.762 -0.003 0.000 1.641 1155 H HN 0.097 nan 8.280 nan 0.000 0.508 1156 P HA 0.350 nan 4.420 nan 0.000 0.274 1156 P C 0.564 177.889 177.300 0.042 0.000 1.256 1156 P CA 0.235 63.356 63.100 0.036 0.000 0.795 1156 P CB 2.138 33.843 31.700 0.007 0.000 1.038 1157 G N -0.568 108.251 108.800 0.031 0.000 2.725 1157 G HA2 0.263 4.220 3.960 -0.005 0.000 0.098 1157 G HA3 0.263 4.220 3.960 -0.005 0.000 0.098 1157 G C -0.139 174.774 174.900 0.022 0.000 1.188 1157 G CA 0.231 45.348 45.100 0.028 0.000 1.237 1157 G HN 0.471 nan 8.290 nan 0.000 0.596 1158 S N -0.447 115.268 115.700 0.024 0.000 2.733 1158 S HA 0.427 4.894 4.470 -0.005 0.000 0.247 1158 S C 0.375 174.993 174.600 0.031 0.000 1.043 1158 S CA -0.278 57.935 58.200 0.022 0.000 1.066 1158 S CB 0.107 63.317 63.200 0.016 0.000 1.045 1158 S HN 0.404 nan 8.310 nan 0.000 0.586 1159 L N 2.714 123.961 121.223 0.040 0.000 2.305 1159 L HA 0.516 4.853 4.340 -0.005 0.000 0.281 1159 L C -2.712 174.202 176.870 0.073 0.000 1.085 1159 L CA -2.257 52.619 54.840 0.061 0.000 0.813 1159 L CB 0.298 42.396 42.059 0.064 0.000 1.157 1159 L HN -0.081 nan 8.230 nan 0.000 0.436 1160 P HA 0.190 nan 4.420 nan 0.000 0.274 1160 P C -0.762 176.621 177.300 0.138 0.000 1.246 1160 P CA -0.352 62.797 63.100 0.081 0.000 0.795 1160 P CB 1.067 32.820 31.700 0.087 0.000 1.006 1161 V N 2.094 122.030 119.914 0.037 0.000 2.628 1161 V HA 0.405 4.521 4.120 -0.005 0.000 0.306 1161 V C -0.782 175.325 176.094 0.022 0.000 1.045 1161 V CA -0.288 62.075 62.300 0.106 0.000 0.905 1161 V CB 1.009 32.865 31.823 0.054 0.000 0.997 1161 V HN 0.398 nan 8.190 nan 0.000 0.436 1162 Y N 4.112 124.436 120.300 0.041 0.000 2.524 1162 Y HA 0.731 5.278 4.550 -0.005 0.000 0.344 1162 Y C -0.236 175.705 175.900 0.068 0.000 1.012 1162 Y CA -1.026 57.107 58.100 0.056 0.000 1.068 1162 Y CB 1.914 40.396 38.460 0.037 0.000 1.249 1162 Y HN 0.354 nan 8.280 nan 0.000 0.468 1163 L N 3.388 124.762 121.223 0.251 0.000 2.372 1163 L HA 0.537 4.874 4.340 -0.005 0.000 0.274 1163 L C -0.432 176.570 176.870 0.220 0.000 0.988 1163 L CA -0.734 54.229 54.840 0.205 0.000 0.833 1163 L CB 1.527 43.691 42.059 0.175 0.000 1.236 1163 L HN 0.488 nan 8.230 nan 0.000 0.410 1164 R N 2.877 123.477 120.500 0.167 0.000 2.248 1164 R HA 0.331 4.668 4.340 -0.005 0.000 0.337 1164 R C -0.871 175.520 176.300 0.151 0.000 1.085 1164 R CA -0.384 55.797 56.100 0.135 0.000 0.934 1164 R CB 1.149 31.500 30.300 0.085 0.000 1.034 1164 R HN 0.285 nan 8.270 nan 0.000 0.465 1165 V N 6.539 126.567 119.914 0.189 0.000 2.294 1165 V HA 0.164 4.280 4.120 -0.005 0.000 0.272 1165 V C 0.502 176.675 176.094 0.133 0.000 1.027 1165 V CA -0.584 61.825 62.300 0.182 0.000 0.823 1165 V CB 1.155 33.129 31.823 0.252 0.000 1.030 1165 V HN 0.620 nan 8.190 nan 0.000 0.457 1166 L N 5.780 127.061 121.223 0.097 0.000 2.536 1166 L HA 0.307 4.643 4.340 -0.005 0.000 0.282 1166 L C 1.329 178.200 176.870 0.002 0.000 1.174 1166 L CA 0.192 55.061 54.840 0.049 0.000 0.989 1166 L CB -0.351 41.737 42.059 0.048 0.000 1.311 1166 L HN 0.713 nan 8.230 nan 0.000 0.455 1167 G N 3.100 111.870 108.800 -0.051 0.000 2.634 1167 G HA2 0.269 4.226 3.960 -0.005 0.000 0.255 1167 G HA3 0.269 4.226 3.960 -0.005 0.000 0.255 1167 G C -1.595 173.080 174.900 -0.376 0.000 1.205 1167 G CA -0.891 44.071 45.100 -0.230 0.000 0.884 1167 G HN 0.412 nan 8.290 nan 0.000 0.549 1168 P HA 0.032 nan 4.420 nan 0.000 0.216 1168 P C 0.176 177.240 177.300 -0.393 0.000 1.153 1168 P CA 0.983 63.704 63.100 -0.632 0.000 0.844 1168 P CB 0.072 31.222 31.700 -0.918 0.000 0.787 1169 F N -1.876 118.039 119.950 -0.059 0.000 2.660 1169 F HA 0.802 5.325 4.527 -0.006 0.000 0.352 1169 F C 0.492 176.289 175.800 -0.005 0.000 1.257 1169 F CA -0.863 57.123 58.000 -0.024 0.000 1.200 1169 F CB 0.736 39.725 39.000 -0.018 0.000 1.473 1169 F HN 0.102 nan 8.300 nan 0.000 0.561 1170 G N 0.944 109.812 108.800 0.113 0.000 2.408 1170 G HA2 0.239 4.196 3.960 -0.005 0.000 0.682 1170 G HA3 0.239 4.196 3.960 -0.005 0.000 0.682 1170 G C -1.944 172.981 174.900 0.042 0.000 1.303 1170 G CA -0.749 44.410 45.100 0.099 0.000 0.966 1170 G HN 0.880 nan 8.290 nan 0.000 0.560 1171 E N -0.570 119.664 120.200 0.057 0.000 2.347 1171 E HA 0.621 4.968 4.350 -0.005 0.000 0.285 1171 E C -0.656 175.973 176.600 0.048 0.000 0.925 1171 E CA -0.263 56.164 56.400 0.044 0.000 0.779 1171 E CB 1.559 31.272 29.700 0.022 0.000 1.233 1171 E HN 1.894 nan 8.360 nan 0.000 0.414 1172 A N 4.234 127.087 122.820 0.055 0.000 2.413 1172 A HA 0.655 4.972 4.320 -0.005 0.000 0.307 1172 A C -1.323 176.243 177.584 -0.030 0.000 1.087 1172 A CA -0.709 51.319 52.037 -0.016 0.000 0.750 1172 A CB 1.288 20.220 19.000 -0.113 0.000 1.296 1172 A HN 0.591 nan 8.150 nan 0.000 0.423 1173 L N 2.019 123.187 121.223 -0.091 0.000 2.314 1173 L HA 0.350 4.687 4.340 -0.005 0.000 0.275 1173 L C -1.262 175.563 176.870 -0.076 0.000 1.068 1173 L CA -0.064 54.776 54.840 -0.000 0.000 0.894 1173 L CB -0.165 41.924 42.059 0.050 0.000 1.275 1173 L HN 0.640 nan 8.230 nan 0.000 0.432 1174 F N 2.851 122.838 119.950 0.061 0.000 2.434 1174 F HA 0.305 4.829 4.527 -0.005 0.000 0.358 1174 F C 1.031 176.808 175.800 -0.037 0.000 1.136 1174 F CA -0.329 57.682 58.000 0.018 0.000 1.157 1174 F CB 0.639 39.648 39.000 0.016 0.000 1.167 1174 F HN 0.427 nan 8.300 nan 0.000 0.539 1175 A N 5.167 127.982 122.820 -0.009 0.000 2.354 1175 A HA 0.345 4.662 4.320 -0.005 0.000 0.281 1175 A C 0.851 178.353 177.584 -0.137 0.000 1.174 1175 A CA -0.600 51.260 52.037 -0.294 0.000 0.828 1175 A CB 0.161 18.847 19.000 -0.525 0.000 1.099 1175 A HN 0.846 nan 8.150 nan 0.000 0.516 1176 L N 3.064 124.209 121.223 -0.129 0.000 2.258 1176 L HA -0.210 4.127 4.340 -0.005 0.000 0.249 1176 L C 1.740 178.591 176.870 -0.032 0.000 1.084 1176 L CA 2.426 57.237 54.840 -0.049 0.000 0.851 1176 L CB -0.413 41.616 42.059 -0.051 0.000 0.940 1176 L HN 0.993 nan 8.230 nan 0.000 0.425 1177 R N -3.459 117.016 120.500 -0.042 0.000 3.013 1177 R HA 0.100 4.437 4.340 -0.005 0.000 0.091 1177 R C 1.474 177.758 176.300 -0.027 0.000 0.490 1177 R CA 0.152 56.236 56.100 -0.025 0.000 0.287 1177 R CB -0.070 30.220 30.300 -0.017 0.000 0.283 1177 R HN 0.343 nan 8.270 nan 0.000 0.316 1178 E N 1.160 121.348 120.200 -0.020 0.000 2.011 1178 E HA 0.032 4.379 4.350 -0.005 0.000 0.191 1178 E C 0.300 176.890 176.600 -0.016 0.000 0.980 1178 E CA 0.731 57.121 56.400 -0.016 0.000 0.814 1178 E CB -0.121 29.570 29.700 -0.014 0.000 0.775 1178 E HN 0.046 nan 8.360 nan 0.000 0.454 1179 V N 2.474 122.379 119.914 -0.016 0.000 2.726 1179 V HA -0.127 3.989 4.120 -0.005 0.000 0.304 1179 V C 0.244 176.335 176.094 -0.005 0.000 1.115 1179 V CA 0.919 63.212 62.300 -0.011 0.000 1.264 1179 V CB -0.351 31.465 31.823 -0.013 0.000 0.867 1179 V HN 0.237 nan 8.190 nan 0.000 0.498 1180 R N 3.338 123.841 120.500 0.005 0.000 2.483 1180 R HA 0.588 4.925 4.340 -0.005 0.000 0.303 1180 R C -1.150 175.167 176.300 0.028 0.000 0.987 1180 R CA -0.760 55.350 56.100 0.017 0.000 0.881 1180 R CB 1.972 32.281 30.300 0.015 0.000 1.177 1180 R HN 0.515 nan 8.270 nan 0.000 0.451 1181 V N 1.192 121.130 119.914 0.040 0.000 2.953 1181 V HA 0.296 4.413 4.120 -0.005 0.000 0.304 1181 V C 1.174 177.297 176.094 0.048 0.000 1.073 1181 V CA 0.049 62.381 62.300 0.053 0.000 1.064 1181 V CB 1.690 33.547 31.823 0.056 0.000 1.047 1181 V HN 1.013 nan 8.190 nan 0.000 0.478 1182 G N 0.907 109.740 108.800 0.055 0.000 4.125 1182 G HA2 0.414 4.371 3.960 -0.005 0.000 0.301 1182 G HA3 0.414 4.371 3.960 -0.005 0.000 0.301 1182 G C 0.452 175.367 174.900 0.024 0.000 1.273 1182 G CA 0.316 45.440 45.100 0.040 0.000 1.095 1182 G HN 0.927 nan 8.290 nan 0.000 0.582 1183 E N -0.553 119.657 120.200 0.018 0.000 4.458 1183 E HA -0.335 4.012 4.350 -0.005 0.000 0.172 1183 E C 1.591 178.179 176.600 -0.019 0.000 1.192 1183 E CA 2.007 58.409 56.400 0.004 0.000 2.456 1183 E CB -0.982 28.722 29.700 0.006 0.000 1.755 1183 E HN 0.628 nan 8.360 nan 0.000 0.473 1184 E N 1.334 121.515 120.200 -0.031 0.000 2.333 1184 E HA -0.142 4.205 4.350 -0.005 0.000 0.200 1184 E C 1.854 178.376 176.600 -0.129 0.000 1.010 1184 E CA 1.283 57.643 56.400 -0.067 0.000 0.841 1184 E CB -0.182 29.478 29.700 -0.067 0.000 0.757 1184 E HN 0.497 nan 8.360 nan 0.000 0.508 1185 A N 1.392 124.137 122.820 -0.125 0.000 1.933 1185 A HA -0.164 4.153 4.320 -0.005 0.000 0.218 1185 A C 2.176 179.695 177.584 -0.109 0.000 1.175 1185 A CA 1.243 53.179 52.037 -0.168 0.000 0.628 1185 A CB -0.681 18.281 19.000 -0.063 0.000 0.814 1185 A HN 0.343 nan 8.150 nan 0.000 0.444 1186 L N -0.225 120.962 121.223 -0.060 0.000 1.990 1186 L HA -0.172 4.165 4.340 -0.005 0.000 0.213 1186 L C 2.473 179.313 176.870 -0.051 0.000 1.072 1186 L CA 2.227 57.042 54.840 -0.041 0.000 0.755 1186 L CB -0.716 41.327 42.059 -0.027 0.000 0.889 1186 L HN 0.366 nan 8.230 nan 0.000 0.432 1187 G N -0.336 108.428 108.800 -0.060 0.000 2.442 1187 G HA2 -0.245 3.712 3.960 -0.005 0.000 0.219 1187 G HA3 -0.245 3.712 3.960 -0.005 0.000 0.219 1187 G C 1.484 176.349 174.900 -0.058 0.000 1.141 1187 G CA 1.179 46.246 45.100 -0.055 0.000 0.763 1187 G HN 0.445 nan 8.290 nan 0.000 0.554 1188 L N -0.541 120.627 121.223 -0.092 0.000 2.509 1188 L HA 0.244 4.581 4.340 -0.005 0.000 0.222 1188 L C 2.289 179.141 176.870 -0.030 0.000 1.123 1188 L CA -0.222 54.569 54.840 -0.082 0.000 0.856 1188 L CB 0.089 42.044 42.059 -0.174 0.000 0.985 1188 L HN 0.154 nan 8.230 nan 0.000 0.456 1189 L N -0.299 120.907 121.223 -0.028 0.000 2.253 1189 L HA 0.035 4.371 4.340 -0.005 0.000 0.205 1189 L C 2.169 179.082 176.870 0.072 0.000 1.078 1189 L CA 1.503 56.356 54.840 0.021 0.000 0.805 1189 L CB -0.277 41.773 42.059 -0.015 0.000 0.963 1189 L HN 0.126 nan 8.230 nan 0.000 0.459 1190 E N -0.139 120.075 120.200 0.025 0.000 2.463 1190 E HA -0.054 4.292 4.350 -0.005 0.000 0.201 1190 E C 1.085 177.701 176.600 0.027 0.000 1.045 1190 E CA 0.602 57.014 56.400 0.020 0.000 0.872 1190 E CB -0.027 29.655 29.700 -0.029 0.000 0.797 1190 E HN 0.493 nan 8.360 nan 0.000 0.538 1191 A N 1.409 124.249 122.820 0.034 0.000 2.648 1191 A HA 0.153 4.470 4.320 -0.005 0.000 0.269 1191 A C -0.080 177.534 177.584 0.051 0.000 1.392 1191 A CA 0.276 52.329 52.037 0.027 0.000 1.019 1191 A CB -0.016 18.993 19.000 0.015 0.000 1.009 1191 A HN 0.062 nan 8.150 nan 0.000 0.565 1192 E N -2.742 117.498 120.200 0.067 0.000 2.439 1192 E HA 0.400 4.747 4.350 -0.005 0.000 0.279 1192 E C 0.636 177.175 176.600 -0.101 0.000 1.077 1192 E CA -0.263 56.145 56.400 0.013 0.000 0.849 1192 E CB 0.666 30.436 29.700 0.117 0.000 1.408 1192 E HN 0.171 nan 8.360 nan 0.000 0.457 1193 G N 0.705 109.325 108.800 -0.301 0.000 3.254 1193 G HA2 -0.081 3.875 3.960 -0.005 0.000 0.203 1193 G HA3 -0.081 3.875 3.960 -0.005 0.000 0.203 1193 G C -0.629 174.033 174.900 -0.397 0.000 1.228 1193 G CA 0.888 45.786 45.100 -0.337 0.000 1.202 1193 G HN 0.200 nan 8.290 nan 0.000 0.504 1194 Y N -0.622 119.673 120.300 -0.009 0.000 2.335 1194 Y HA 0.440 4.987 4.550 -0.005 0.000 0.338 1194 Y C 0.879 176.766 175.900 -0.021 0.000 0.977 1194 Y CA -1.229 56.868 58.100 -0.003 0.000 1.114 1194 Y CB 1.440 39.902 38.460 0.004 0.000 1.182 1194 Y HN -0.111 nan 8.280 nan 0.000 0.463 1195 R N 2.175 122.753 120.500 0.130 0.000 2.438 1195 R HA 0.732 5.069 4.340 -0.005 0.000 0.287 1195 R C -0.658 175.652 176.300 0.018 0.000 1.077 1195 R CA -0.277 55.840 56.100 0.028 0.000 1.034 1195 R CB 0.779 31.108 30.300 0.048 0.000 0.993 1195 R HN 0.805 nan 8.270 nan 0.000 0.459 1196 A N 3.018 125.737 122.820 -0.167 0.000 2.587 1196 A HA 0.672 4.989 4.320 -0.005 0.000 0.293 1196 A C -1.854 175.509 177.584 -0.368 0.000 1.087 1196 A CA -0.601 51.367 52.037 -0.114 0.000 0.692 1196 A CB 1.319 20.299 19.000 -0.033 0.000 1.291 1196 A HN 0.649 nan 8.150 nan 0.000 0.407 1197 Y N -0.431 119.875 120.300 0.009 0.000 2.504 1197 Y HA 0.516 5.063 4.550 -0.005 0.000 0.344 1197 Y C -0.396 175.497 175.900 -0.012 0.000 1.023 1197 Y CA -0.588 57.509 58.100 -0.005 0.000 1.020 1197 Y CB 2.218 40.669 38.460 -0.016 0.000 1.282 1197 Y HN 0.534 nan 8.280 nan 0.000 0.454 1198 L N 4.902 126.210 121.223 0.140 0.000 2.422 1198 L HA 0.410 4.747 4.340 -0.005 0.000 0.256 1198 L C -0.304 176.601 176.870 0.059 0.000 1.202 1198 L CA -0.450 54.435 54.840 0.075 0.000 1.119 1198 L CB -0.509 41.576 42.059 0.043 0.000 1.383 1198 L HN 0.470 nan 8.230 nan 0.000 0.411 1199 V N 2.295 122.226 119.914 0.029 0.000 2.834 1199 V HA 0.639 4.756 4.120 -0.005 0.000 0.301 1199 V C -2.238 173.812 176.094 -0.073 0.000 1.066 1199 V CA -1.989 60.281 62.300 -0.050 0.000 1.052 1199 V CB 0.414 32.150 31.823 -0.145 0.000 1.021 1199 V HN 0.455 nan 8.190 nan 0.000 0.480 1200 P HA 0.103 nan 4.420 nan 0.000 0.267 1200 P C -0.786 176.464 177.300 -0.084 0.000 1.200 1200 P CA 0.189 63.261 63.100 -0.046 0.000 0.772 1200 P CB 0.229 31.912 31.700 -0.029 0.000 0.855 1201 D N 2.212 122.616 120.400 0.007 0.000 2.374 1201 D HA 0.026 4.662 4.640 -0.005 0.000 0.240 1201 D C 1.317 177.700 176.300 0.138 0.000 1.229 1201 D CA -0.058 53.961 54.000 0.031 0.000 0.895 1201 D CB -0.038 40.816 40.800 0.090 0.000 1.046 1201 D HN 0.202 nan 8.370 nan 0.000 0.498 1202 R N 3.092 123.590 120.500 -0.003 0.000 2.204 1202 R HA -0.211 4.126 4.340 -0.005 0.000 0.253 1202 R C 1.289 177.749 176.300 0.268 0.000 1.172 1202 R CA 1.465 57.599 56.100 0.057 0.000 0.994 1202 R CB 0.242 30.548 30.300 0.010 0.000 0.874 1202 R HN 0.558 nan 8.270 nan 0.000 0.462 1203 E N -0.110 120.248 120.200 0.264 0.000 1.997 1203 E HA -0.203 4.143 4.350 -0.005 0.000 0.201 1203 E C 2.007 178.682 176.600 0.125 0.000 1.011 1203 E CA 1.521 58.029 56.400 0.181 0.000 0.847 1203 E CB -0.637 29.139 29.700 0.126 0.000 0.787 1203 E HN 0.128 nan 8.360 nan 0.000 0.472 1204 V N 1.388 121.291 119.914 -0.018 0.000 2.310 1204 V HA -0.307 3.810 4.120 -0.005 0.000 0.263 1204 V C 1.406 177.305 176.094 -0.325 0.000 1.108 1204 V CA 1.899 64.036 62.300 -0.271 0.000 1.104 1204 V CB -0.742 30.742 31.823 -0.565 0.000 0.736 1204 V HN 0.073 nan 8.190 nan 0.000 0.456 1205 F N 0.000 119.811 119.950 -0.232 0.000 2.286 1205 F HA 0.000 4.523 4.527 -0.007 0.000 0.279 1205 F CA 0.000 57.833 58.000 -0.279 0.000 1.383 1205 F CB 0.000 38.689 39.000 -0.518 0.000 1.145 1205 F HN 0.000 nan 8.300 nan 0.000 0.574