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 2o5i_1_N DATA FIRST_RESID 2 DATA SEQUENCE KKEVRKVRIA LASPEKIRSW SYGEVEKPET INYRTLKPER DGLFDERIFG DATA SEQUENCE PIKDYECACG KYKRQRFEGK VCERCGVEVT KSIVRRYRMG HIELATPAAH DATA SEQUENCE IWFVKDVPSK IGTLLDLSAT ELEQVLYFSK YIVLDPKGAI LNGVPVEKRQ DATA SEQUENCE LLTDEEYREL RYGKQETYPL PPGVDALVKD GEEVVKGQEL APGVVSRLDG DATA SEQUENCE VALYRFXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRPMVQVD GGRFATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAL LDNGRRGAPV TNPGSDRPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKGIAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGLEFATPEE ALAAHERGEV ALNAPIKVAG RETSVGRLKY VFANPDEALL DATA SEQUENCE AVAHGIVDLQ DVVTVRYMGK RLETSPGRIL FARIVAEAVE DEKVAWELIQ DATA SEQUENCE LDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTF STTSGITIGI DATA SEQUENCE DDAVIPEEKK QYLEEADRKL LQIEQAYEMG FLTDRERYDQ ILQLWTETTE DATA SEQUENCE KVTQAVFKNF EENYPFNPLY VMAQSGARGN PQQIRQLCGL RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE THEIVVREAD CGTTNYISVP LFQPDEVTRS LRLRKRADIE AGLYGRVLAR DATA SEQUENCE EVEVLGVRLE EGRYLSMDDV HLLIKAAEAG EIQEVPVRSP LTCQTRYGVC DATA SEQUENCE QKCYGYDLSM ARPVSIGEAV GIVAAQSIGE PGTQLXXXXX XXXXXXXXXX DATA SEQUENCE XXXGLPRVIE LFEARRPKAK AVISEIDGVV RIEETEEKLS VFVESEGFSK DATA SEQUENCE EYKLPKEARL LVKDGDYVEA GQPLTRGAID PHQLLEAKGP EAVERYLVEE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMMKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAEG KTPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQKT LKAIEEARKE DATA SEQUENCE AVEA 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.614 176.600 0.023 0.000 0.988 2 K CA 0.000 56.301 56.287 0.023 0.000 0.838 2 K CB 0.000 32.514 32.500 0.024 0.000 1.064 3 K N 1.431 121.845 120.400 0.023 0.000 2.234 3 K HA -0.012 4.310 4.320 0.004 0.000 0.251 3 K C -0.067 176.546 176.600 0.022 0.000 1.011 3 K CA 0.146 56.447 56.287 0.023 0.000 0.889 3 K CB 0.581 33.096 32.500 0.023 0.000 1.011 3 K HN 0.108 nan 8.250 nan 0.000 0.505 4 E N 0.936 121.149 120.200 0.023 0.000 2.227 4 E HA 0.102 4.455 4.350 0.004 0.000 0.282 4 E C -1.025 175.585 176.600 0.017 0.000 1.015 4 E CA -0.644 55.767 56.400 0.019 0.000 0.823 4 E CB 0.952 30.667 29.700 0.025 0.000 1.081 4 E HN 0.219 nan 8.360 nan 0.000 0.396 5 V N 6.163 126.084 119.914 0.011 0.000 2.390 5 V HA 0.099 4.222 4.120 0.004 0.000 0.260 5 V C 0.990 177.087 176.094 0.005 0.000 1.043 5 V CA 0.017 62.323 62.300 0.010 0.000 1.047 5 V CB 0.332 32.158 31.823 0.005 0.000 1.066 5 V HN 0.703 nan 8.190 nan 0.000 0.481 6 R N 2.484 122.991 120.500 0.011 0.000 2.282 6 R HA 0.276 4.618 4.340 0.004 0.000 0.195 6 R C 0.135 176.435 176.300 -0.000 0.000 0.909 6 R CA 0.551 56.655 56.100 0.006 0.000 1.039 6 R CB 0.379 30.689 30.300 0.017 0.000 1.015 6 R HN 0.656 nan 8.270 nan 0.000 0.513 7 K N -0.268 120.140 120.400 0.013 0.000 2.553 7 K HA 0.385 4.707 4.320 0.004 0.000 0.250 7 K C -1.375 175.257 176.600 0.054 0.000 0.953 7 K CA -0.682 55.617 56.287 0.020 0.000 0.800 7 K CB 3.127 35.651 32.500 0.041 0.000 1.243 7 K HN -0.244 nan 8.250 nan 0.000 0.435 8 V N 1.945 121.893 119.914 0.056 0.000 2.732 8 V HA 0.577 4.699 4.120 0.004 0.000 0.310 8 V C -0.281 176.096 176.094 0.471 0.000 1.053 8 V CA -0.877 61.534 62.300 0.185 0.000 0.957 8 V CB 1.653 33.547 31.823 0.119 0.000 1.018 8 V HN 0.779 nan 8.190 nan 0.000 0.452 9 R N 2.744 123.553 120.500 0.516 0.000 2.518 9 R HA 0.524 4.866 4.340 0.004 0.000 0.287 9 R C -1.748 174.564 176.300 0.019 0.000 1.135 9 R CA -0.535 55.794 56.100 0.383 0.000 0.967 9 R CB 1.218 31.641 30.300 0.206 0.000 1.212 9 R HN 0.741 nan 8.270 nan 0.000 0.422 10 I N 3.897 124.156 120.570 -0.518 0.000 2.395 10 I HA 0.509 4.681 4.170 0.004 0.000 0.289 10 I C 0.140 176.128 176.117 -0.216 0.000 1.023 10 I CA -0.261 60.772 61.300 -0.444 0.000 1.350 10 I CB 1.633 39.162 38.000 -0.786 0.000 1.409 10 I HN 0.741 nan 8.210 nan 0.000 0.507 11 A N 6.659 129.453 122.820 -0.044 0.000 2.539 11 A HA 0.610 4.932 4.320 0.004 0.000 0.296 11 A C -0.713 176.958 177.584 0.144 0.000 1.073 11 A CA -0.633 51.431 52.037 0.045 0.000 0.700 11 A CB 1.370 20.421 19.000 0.084 0.000 1.296 11 A HN 0.664 nan 8.150 nan 0.000 0.405 12 L N 0.894 122.240 121.223 0.206 0.000 2.482 12 L HA 0.376 4.718 4.340 0.004 0.000 0.273 12 L C 0.791 177.852 176.870 0.317 0.000 1.228 12 L CA -0.097 54.931 54.840 0.314 0.000 0.827 12 L CB 0.931 43.235 42.059 0.409 0.000 1.099 12 L HN 0.888 nan 8.230 nan 0.000 0.494 13 A N 2.735 125.744 122.820 0.315 0.000 2.260 13 A HA 0.485 4.808 4.320 0.004 0.000 0.314 13 A C -0.155 177.404 177.584 -0.042 0.000 1.257 13 A CA -0.431 51.707 52.037 0.168 0.000 0.871 13 A CB 0.624 19.736 19.000 0.186 0.000 1.166 13 A HN 0.688 nan 8.150 nan 0.000 0.522 14 S N 4.246 119.745 115.700 -0.336 0.000 2.548 14 S HA 0.258 4.731 4.470 0.004 0.000 0.277 14 S C -1.719 172.570 174.600 -0.518 0.000 1.315 14 S CA -0.739 57.004 58.200 -0.761 0.000 1.050 14 S CB 0.977 63.683 63.200 -0.822 0.000 0.918 14 S HN 0.571 nan 8.310 nan 0.000 0.497 15 P HA -0.154 nan 4.420 nan 0.000 0.216 15 P C 0.850 177.938 177.300 -0.354 0.000 1.150 15 P CA 1.162 64.083 63.100 -0.299 0.000 0.843 15 P CB 0.129 31.717 31.700 -0.187 0.000 0.787 16 E N -0.538 119.433 120.200 -0.381 0.000 2.153 16 E HA -0.166 4.186 4.350 0.004 0.000 0.194 16 E C 1.926 178.287 176.600 -0.398 0.000 0.988 16 E CA 0.984 57.180 56.400 -0.340 0.000 0.811 16 E CB -0.558 28.966 29.700 -0.293 0.000 0.746 16 E HN 0.260 nan 8.360 nan 0.000 0.466 17 K N 0.625 120.748 120.400 -0.461 0.000 2.155 17 K HA -0.092 4.231 4.320 0.004 0.000 0.203 17 K C 1.751 177.711 176.600 -1.067 0.000 1.052 17 K CA 0.765 56.715 56.287 -0.560 0.000 0.948 17 K CB 0.076 32.344 32.500 -0.385 0.000 0.728 17 K HN 0.060 nan 8.250 nan 0.000 0.448 18 I N 1.905 121.899 120.570 -0.961 0.000 2.208 18 I HA -0.281 3.891 4.170 0.004 0.000 0.245 18 I C 2.111 177.805 176.117 -0.706 0.000 1.097 18 I CA 1.412 62.105 61.300 -1.012 0.000 1.363 18 I CB -1.035 36.662 38.000 -0.504 0.000 1.051 18 I HN 0.230 nan 8.210 nan 0.000 0.413 19 R N 0.093 120.228 120.500 -0.608 0.000 2.119 19 R HA 0.023 4.365 4.340 0.004 0.000 0.222 19 R C 2.353 178.376 176.300 -0.462 0.000 1.088 19 R CA 0.907 56.612 56.100 -0.658 0.000 0.984 19 R CB -0.926 29.042 30.300 -0.553 0.000 0.884 19 R HN 0.258 nan 8.270 nan 0.000 0.447 20 S N 0.364 115.825 115.700 -0.399 0.000 2.368 20 S HA -0.081 4.391 4.470 0.004 0.000 0.224 20 S C 1.422 175.993 174.600 -0.048 0.000 1.029 20 S CA 0.845 58.910 58.200 -0.225 0.000 0.988 20 S CB -0.090 63.005 63.200 -0.175 0.000 0.838 20 S HN 0.438 nan 8.310 nan 0.000 0.462 21 W N 2.388 123.646 121.300 -0.069 0.000 2.595 21 W HA 0.296 4.958 4.660 0.003 0.000 0.257 21 W C 1.335 177.891 176.519 0.062 0.000 1.267 21 W CA 0.175 57.526 57.345 0.011 0.000 1.300 21 W CB -1.948 27.532 29.460 0.033 0.000 1.120 21 W HN 0.364 nan 8.180 nan 0.000 0.618 22 S N 0.403 116.189 115.700 0.142 0.000 2.580 22 S HA 0.301 4.773 4.470 0.004 0.000 0.274 22 S C -1.109 173.517 174.600 0.043 0.000 1.329 22 S CA -0.100 58.169 58.200 0.115 0.000 1.036 22 S CB 0.900 64.064 63.200 -0.059 0.000 0.919 22 S HN 0.053 nan 8.310 nan 0.000 0.515 23 Y N 1.730 121.995 120.300 -0.060 0.000 2.326 23 Y HA 0.576 5.128 4.550 0.004 0.000 0.331 23 Y C 1.049 176.852 175.900 -0.160 0.000 0.962 23 Y CA 0.429 58.464 58.100 -0.110 0.000 1.167 23 Y CB 1.367 39.743 38.460 -0.140 0.000 1.148 23 Y HN 1.392 nan 8.280 nan 0.000 0.463 24 G N 2.850 111.663 108.800 0.022 0.000 2.915 24 G HA2 -0.237 3.725 3.960 0.004 0.000 0.337 24 G HA3 -0.237 3.725 3.960 0.004 0.000 0.337 24 G C -0.648 174.258 174.900 0.011 0.000 1.477 24 G CA -0.219 44.874 45.100 -0.012 0.000 0.916 24 G HN 0.747 nan 8.290 nan 0.000 0.550 25 E N -0.934 119.204 120.200 -0.104 0.000 2.218 25 E HA 0.490 4.843 4.350 0.004 0.000 0.263 25 E C -0.069 176.426 176.600 -0.174 0.000 0.879 25 E CA -0.988 55.224 56.400 -0.313 0.000 0.762 25 E CB 1.598 31.020 29.700 -0.462 0.000 1.166 25 E HN 0.619 nan 8.360 nan 0.000 0.415 26 V N 5.013 124.858 119.914 -0.115 0.000 2.421 26 V HA 0.033 4.156 4.120 0.004 0.000 0.271 26 V C 1.007 177.088 176.094 -0.022 0.000 1.031 26 V CA 0.500 62.801 62.300 0.001 0.000 1.032 26 V CB 0.679 32.562 31.823 0.100 0.000 1.009 26 V HN 0.865 nan 8.190 nan 0.000 0.477 27 E N 3.942 124.135 120.200 -0.011 0.000 2.526 27 E HA 0.248 4.601 4.350 0.004 0.000 0.208 27 E C 0.339 176.945 176.600 0.011 0.000 0.997 27 E CA -0.192 56.198 56.400 -0.016 0.000 0.961 27 E CB 0.606 30.287 29.700 -0.031 0.000 1.030 27 E HN 0.675 nan 8.360 nan 0.000 0.483 28 K N 1.015 121.434 120.400 0.033 0.000 2.523 28 K HA 0.274 4.596 4.320 0.004 0.000 0.257 28 K C -2.654 173.981 176.600 0.058 0.000 0.932 28 K CA -2.254 54.056 56.287 0.038 0.000 0.812 28 K CB 2.218 34.738 32.500 0.033 0.000 1.326 28 K HN -0.187 nan 8.250 nan 0.000 0.433 29 P HA 0.004 nan 4.420 nan 0.000 0.249 29 P C -1.072 176.263 177.300 0.059 0.000 1.686 29 P CA 0.204 63.342 63.100 0.063 0.000 0.873 29 P CB 0.203 31.931 31.700 0.047 0.000 1.828 30 E N 0.748 120.991 120.200 0.072 0.000 2.121 30 E HA 0.106 4.458 4.350 0.004 0.000 0.255 30 E C 1.329 177.983 176.600 0.089 0.000 0.906 30 E CA -0.072 56.364 56.400 0.061 0.000 0.745 30 E CB 1.414 31.145 29.700 0.053 0.000 1.155 30 E HN 0.259 nan 8.360 nan 0.000 0.424 31 T N 0.657 115.246 114.554 0.058 0.000 2.472 31 T HA -0.014 4.339 4.350 0.004 0.000 0.249 31 T C 1.029 175.674 174.700 -0.092 0.000 1.205 31 T CA 0.739 62.844 62.100 0.007 0.000 1.268 31 T CB 0.136 68.971 68.868 -0.056 0.000 0.872 31 T HN 0.373 nan 8.240 nan 0.000 0.393 32 I N 1.314 121.817 120.570 -0.112 0.000 2.649 32 I HA 0.273 4.445 4.170 0.004 0.000 0.289 32 I C -1.090 175.015 176.117 -0.020 0.000 1.222 32 I CA -0.819 60.437 61.300 -0.073 0.000 1.046 32 I CB 2.295 40.224 38.000 -0.118 0.000 1.272 32 I HN 0.403 nan 8.210 nan 0.000 0.425 33 N N 6.842 125.569 118.700 0.044 0.000 2.402 33 N HA 0.076 4.818 4.740 0.004 0.000 0.252 33 N C 1.173 176.828 175.510 0.242 0.000 1.118 33 N CA 0.053 53.197 53.050 0.157 0.000 0.945 33 N CB 0.589 39.174 38.487 0.163 0.000 1.147 33 N HN 0.682 nan 8.380 nan 0.000 0.495 34 Y N 3.649 123.869 120.300 -0.133 0.000 2.065 34 Y HA -0.454 4.099 4.550 0.004 0.000 0.251 34 Y C 1.849 177.692 175.900 -0.095 0.000 1.258 34 Y CA 1.296 59.296 58.100 -0.166 0.000 1.070 34 Y CB -0.739 37.614 38.460 -0.179 0.000 0.880 34 Y HN 0.425 nan 8.280 nan 0.000 0.509 35 R N 0.785 120.917 120.500 -0.613 0.000 2.191 35 R HA -0.189 4.153 4.340 0.004 0.000 0.248 35 R C 1.003 177.186 176.300 -0.194 0.000 1.127 35 R CA 2.164 57.967 56.100 -0.495 0.000 0.943 35 R CB -1.274 28.754 30.300 -0.453 0.000 0.891 35 R HN 0.631 nan 8.270 nan 0.000 0.439 36 T N -1.554 112.940 114.554 -0.101 0.000 2.791 36 T HA 0.384 4.737 4.350 0.004 0.000 0.288 36 T C 0.653 175.359 174.700 0.009 0.000 0.999 36 T CA -0.636 61.444 62.100 -0.033 0.000 0.952 36 T CB 1.463 70.320 68.868 -0.017 0.000 0.938 36 T HN 0.082 nan 8.240 nan 0.000 0.444 37 L N 2.241 123.486 121.223 0.036 0.000 2.885 37 L HA 0.072 4.415 4.340 0.004 0.000 0.258 37 L C 0.972 177.875 176.870 0.055 0.000 1.146 37 L CA 0.341 55.230 54.840 0.082 0.000 0.922 37 L CB -0.792 41.355 42.059 0.146 0.000 1.138 37 L HN 0.591 nan 8.230 nan 0.000 0.431 38 K N 0.247 120.670 120.400 0.038 0.000 2.118 38 K HA 0.343 4.665 4.320 0.004 0.000 0.264 38 K C -2.327 174.297 176.600 0.040 0.000 1.000 38 K CA -2.115 54.196 56.287 0.040 0.000 0.929 38 K CB 0.143 32.665 32.500 0.037 0.000 1.021 38 K HN -0.218 nan 8.250 nan 0.000 0.463 39 P HA -0.089 nan 4.420 nan 0.000 0.264 39 P C 0.041 177.389 177.300 0.079 0.000 1.193 39 P CA 0.307 63.462 63.100 0.092 0.000 0.763 39 P CB 0.713 32.510 31.700 0.162 0.000 0.810 40 E N 4.751 124.994 120.200 0.072 0.000 1.957 40 E HA -0.177 4.175 4.350 0.004 0.000 0.214 40 E C 1.102 177.744 176.600 0.070 0.000 0.922 40 E CA 1.540 57.978 56.400 0.064 0.000 0.977 40 E CB -0.012 29.721 29.700 0.055 0.000 0.841 40 E HN 0.417 nan 8.360 nan 0.000 0.583 41 R N -0.561 119.982 120.500 0.071 0.000 2.424 41 R HA 0.370 4.712 4.340 0.004 0.000 0.166 41 R C 1.519 177.866 176.300 0.079 0.000 1.347 41 R CA 0.388 56.526 56.100 0.064 0.000 1.274 41 R CB -1.104 29.226 30.300 0.049 0.000 1.949 41 R HN 0.186 nan 8.270 nan 0.000 0.537 42 D N -0.268 120.171 120.400 0.065 0.000 2.263 42 D HA 0.058 4.700 4.640 0.004 0.000 0.208 42 D C 0.895 177.260 176.300 0.108 0.000 0.971 42 D CA 1.501 55.542 54.000 0.068 0.000 0.867 42 D CB -0.623 40.198 40.800 0.036 0.000 0.929 42 D HN 0.602 nan 8.370 nan 0.000 0.492 43 G N 0.287 109.156 108.800 0.115 0.000 3.309 43 G HA2 -0.293 3.669 3.960 0.004 0.000 1.021 43 G HA3 -0.293 3.669 3.960 0.004 0.000 1.021 43 G C 1.103 176.135 174.900 0.220 0.000 1.224 43 G CA -0.014 45.174 45.100 0.148 0.000 1.537 43 G HN 0.332 nan 8.290 nan 0.000 0.889 44 L N -1.532 119.819 121.223 0.212 0.000 2.291 44 L HA 0.114 4.457 4.340 0.004 0.000 0.214 44 L C 2.081 178.875 176.870 -0.127 0.000 1.120 44 L CA 0.998 55.882 54.840 0.073 0.000 0.799 44 L CB -0.163 41.899 42.059 0.005 0.000 0.925 44 L HN 0.465 nan 8.230 nan 0.000 0.446 45 F N -1.464 118.477 119.950 -0.014 0.000 2.661 45 F HA 0.131 4.661 4.527 0.004 0.000 0.306 45 F C 0.829 176.713 175.800 0.140 0.000 1.094 45 F CA -1.014 56.955 58.000 -0.051 0.000 1.254 45 F CB 0.263 39.228 39.000 -0.059 0.000 1.040 45 F HN -0.069 nan 8.300 nan 0.000 0.562 46 D N 1.085 121.709 120.400 0.374 0.000 2.515 46 D HA -0.091 4.551 4.640 0.004 0.000 0.232 46 D C 0.967 177.443 176.300 0.294 0.000 1.157 46 D CA 0.761 54.924 54.000 0.272 0.000 0.871 46 D CB 0.905 41.817 40.800 0.187 0.000 1.200 46 D HN 0.212 nan 8.370 nan 0.000 0.466 47 E N 1.384 121.689 120.200 0.175 0.000 2.340 47 E HA 0.025 4.378 4.350 0.004 0.000 0.194 47 E C 1.697 178.340 176.600 0.071 0.000 0.996 47 E CA 0.069 56.553 56.400 0.140 0.000 0.869 47 E CB 0.087 29.843 29.700 0.094 0.000 0.835 47 E HN 0.377 nan 8.360 nan 0.000 0.493 48 R N 1.106 121.634 120.500 0.047 0.000 2.080 48 R HA -0.122 4.220 4.340 0.004 0.000 0.236 48 R C 1.978 178.258 176.300 -0.033 0.000 1.137 48 R CA 1.561 57.671 56.100 0.016 0.000 0.943 48 R CB -0.333 29.978 30.300 0.019 0.000 0.846 48 R HN 0.168 nan 8.270 nan 0.000 0.431 49 I N -0.312 120.173 120.570 -0.140 0.000 2.423 49 I HA -0.253 3.919 4.170 0.004 0.000 0.254 49 I C 1.255 176.916 176.117 -0.760 0.000 1.151 49 I CA 1.436 62.459 61.300 -0.461 0.000 1.421 49 I CB -0.061 37.526 38.000 -0.688 0.000 1.079 49 I HN 0.220 nan 8.210 nan 0.000 0.431 50 F N -0.699 119.222 119.950 -0.048 0.000 2.531 50 F HA 0.472 5.001 4.527 0.004 0.000 0.273 50 F C 1.033 176.731 175.800 -0.170 0.000 0.960 50 F CA 0.357 58.284 58.000 -0.121 0.000 1.207 50 F CB 0.308 39.232 39.000 -0.127 0.000 1.012 50 F HN -0.055 nan 8.300 nan 0.000 0.738 51 G N -0.506 108.330 108.800 0.061 0.000 2.347 51 G HA2 0.268 4.230 3.960 0.004 0.000 0.303 51 G HA3 0.268 4.230 3.960 0.004 0.000 0.303 51 G C -3.231 171.663 174.900 -0.009 0.000 1.481 51 G CA -1.188 43.890 45.100 -0.037 0.000 0.914 51 G HN -0.311 nan 8.290 nan 0.000 0.638 52 P HA 0.077 nan 4.420 nan 0.000 0.256 52 P C 1.057 178.350 177.300 -0.010 0.000 1.173 52 P CA -0.102 62.985 63.100 -0.021 0.000 0.768 52 P CB 0.586 32.255 31.700 -0.052 0.000 0.758 53 I N 3.288 123.870 120.570 0.021 0.000 2.614 53 I HA -0.109 4.064 4.170 0.004 0.000 0.258 53 I C 0.873 176.998 176.117 0.013 0.000 1.189 53 I CA 1.666 62.983 61.300 0.028 0.000 1.462 53 I CB -0.251 37.778 38.000 0.048 0.000 1.092 53 I HN 0.108 nan 8.210 nan 0.000 0.442 54 K N 0.215 120.623 120.400 0.013 0.000 2.238 54 K HA 0.248 4.570 4.320 0.004 0.000 0.239 54 K C 0.726 177.327 176.600 0.001 0.000 0.987 54 K CA -0.478 55.818 56.287 0.016 0.000 0.857 54 K CB 0.815 33.338 32.500 0.038 0.000 1.154 54 K HN -0.097 nan 8.250 nan 0.000 0.439 55 D N 0.646 121.054 120.400 0.013 0.000 2.330 55 D HA -0.229 4.413 4.640 0.004 0.000 0.228 55 D C 1.079 177.375 176.300 -0.006 0.000 1.136 55 D CA 2.047 56.049 54.000 0.004 0.000 0.983 55 D CB -0.318 40.516 40.800 0.057 0.000 1.403 55 D HN 0.616 nan 8.370 nan 0.000 0.524 56 Y N 0.251 120.566 120.300 0.025 0.000 2.462 56 Y HA 0.077 4.629 4.550 0.003 0.000 0.253 56 Y C 1.112 177.064 175.900 0.087 0.000 1.095 56 Y CA -0.303 57.822 58.100 0.043 0.000 1.283 56 Y CB 0.818 39.299 38.460 0.035 0.000 1.138 56 Y HN -0.016 nan 8.280 nan 0.000 0.522 57 E N 0.721 121.075 120.200 0.257 0.000 2.425 57 E HA 0.009 4.362 4.350 0.004 0.000 0.258 57 E C 0.066 176.757 176.600 0.151 0.000 1.151 57 E CA 0.174 56.696 56.400 0.203 0.000 0.958 57 E CB 0.951 30.735 29.700 0.139 0.000 0.968 57 E HN 0.359 nan 8.360 nan 0.000 0.451 58 C N 1.747 121.128 119.300 0.136 0.000 2.446 58 C HA 0.795 5.258 4.460 0.004 0.000 0.386 58 C C 1.850 176.882 174.990 0.071 0.000 2.622 58 C CA 0.286 59.360 59.018 0.093 0.000 1.823 58 C CB 0.143 27.937 27.740 0.090 0.000 2.233 58 C HN 0.910 nan 8.230 nan 0.000 0.404 59 A N 0.334 123.188 122.820 0.058 0.000 1.823 59 A HA -0.101 4.222 4.320 0.004 0.000 0.214 59 A C 2.233 179.846 177.584 0.047 0.000 1.227 59 A CA 2.777 54.843 52.037 0.048 0.000 0.616 59 A CB -1.658 17.367 19.000 0.043 0.000 0.874 59 A HN 1.540 nan 8.150 nan 0.000 0.455 60 C N -2.764 116.564 119.300 0.047 0.000 2.485 60 C HA 0.532 4.994 4.460 0.004 0.000 0.277 60 C C 1.874 176.890 174.990 0.044 0.000 1.376 60 C CA 0.232 59.274 59.018 0.040 0.000 1.759 60 C CB -0.562 27.199 27.740 0.035 0.000 1.970 60 C HN 1.911 nan 8.230 nan 0.000 0.509 61 G N 0.597 109.434 108.800 0.061 0.000 2.143 61 G HA2 -0.157 3.805 3.960 0.004 0.000 0.175 61 G HA3 -0.157 3.805 3.960 0.004 0.000 0.175 61 G C 0.751 175.681 174.900 0.050 0.000 1.004 61 G CA 0.247 45.386 45.100 0.064 0.000 0.671 61 G HN 0.316 nan 8.290 nan 0.000 0.512 62 K N -0.740 119.700 120.400 0.066 0.000 2.057 62 K HA 0.007 4.330 4.320 0.004 0.000 0.207 62 K C 0.293 176.804 176.600 -0.149 0.000 1.049 62 K CA 1.173 57.455 56.287 -0.008 0.000 0.931 62 K CB -0.120 32.436 32.500 0.093 0.000 0.714 62 K HN 0.525 nan 8.250 nan 0.000 0.440 63 Y N -0.234 119.938 120.300 -0.213 0.000 2.350 63 Y HA 0.276 4.828 4.550 0.004 0.000 0.338 63 Y C 0.775 176.678 175.900 0.005 0.000 0.961 63 Y CA -0.889 56.932 58.100 -0.465 0.000 1.100 63 Y CB 1.779 39.686 38.460 -0.922 0.000 1.179 63 Y HN -0.234 nan 8.280 nan 0.000 0.454 64 K N 0.956 121.621 120.400 0.442 0.000 2.477 64 K HA 0.288 4.610 4.320 0.004 0.000 0.208 64 K C 0.405 177.225 176.600 0.367 0.000 1.117 64 K CA 0.042 56.557 56.287 0.381 0.000 1.039 64 K CB 0.610 33.235 32.500 0.209 0.000 0.937 64 K HN 0.479 nan 8.250 nan 0.000 0.570 65 R N -0.763 119.963 120.500 0.377 0.000 3.328 65 R HA 0.297 4.639 4.340 0.004 0.000 0.232 65 R C 0.456 176.286 176.300 -0.784 0.000 1.606 65 R CA -0.345 55.613 56.100 -0.236 0.000 1.025 65 R CB 0.159 30.287 30.300 -0.288 0.000 1.701 65 R HN -0.140 nan 8.270 nan 0.000 0.526 66 Q N 0.346 119.559 119.800 -0.979 0.000 2.302 66 Q HA -0.007 4.336 4.340 0.004 0.000 0.202 66 Q C 1.523 177.059 176.000 -0.773 0.000 0.936 66 Q CA 0.950 56.079 55.803 -1.123 0.000 0.886 66 Q CB 0.144 28.361 28.738 -0.868 0.000 0.986 66 Q HN 0.421 nan 8.270 nan 0.000 0.487 67 R N 0.461 120.457 120.500 -0.841 0.000 2.119 67 R HA -0.181 4.162 4.340 0.004 0.000 0.246 67 R C 0.992 177.075 176.300 -0.362 0.000 1.146 67 R CA 2.159 57.928 56.100 -0.553 0.000 0.962 67 R CB -0.459 29.553 30.300 -0.480 0.000 0.863 67 R HN 0.281 nan 8.270 nan 0.000 0.442 68 F N 0.890 120.850 119.950 0.018 0.000 2.923 68 F HA 0.379 4.908 4.527 0.004 0.000 0.314 68 F C 1.148 176.990 175.800 0.071 0.000 1.196 68 F CA -0.907 57.137 58.000 0.074 0.000 1.320 68 F CB -0.382 38.728 39.000 0.184 0.000 0.953 68 F HN 0.034 nan 8.300 nan 0.000 0.505 69 E N 1.151 121.422 120.200 0.119 0.000 2.136 69 E HA -0.224 4.128 4.350 0.004 0.000 0.202 69 E C 1.566 178.321 176.600 0.259 0.000 1.019 69 E CA 1.924 58.494 56.400 0.284 0.000 0.819 69 E CB -0.866 28.968 29.700 0.222 0.000 0.739 69 E HN 0.545 nan 8.360 nan 0.000 0.458 70 G N 1.052 109.952 108.800 0.167 0.000 3.371 70 G HA2 0.098 4.060 3.960 0.004 0.000 0.248 70 G HA3 0.098 4.060 3.960 0.004 0.000 0.248 70 G C 0.237 175.180 174.900 0.072 0.000 1.161 70 G CA -0.473 44.692 45.100 0.109 0.000 0.796 70 G HN 0.075 nan 8.290 nan 0.000 0.539 71 K N -0.143 120.294 120.400 0.061 0.000 2.281 71 K HA 0.588 4.910 4.320 0.004 0.000 0.242 71 K C -1.241 175.253 176.600 -0.176 0.000 0.971 71 K CA -0.830 55.430 56.287 -0.044 0.000 0.834 71 K CB 3.036 35.513 32.500 -0.038 0.000 1.181 71 K HN -0.092 nan 8.250 nan 0.000 0.435 72 V N 1.206 120.999 119.914 -0.202 0.000 2.617 72 V HA 0.129 4.251 4.120 0.004 0.000 0.298 72 V C -0.329 175.533 176.094 -0.385 0.000 1.048 72 V CA -0.737 61.429 62.300 -0.224 0.000 0.964 72 V CB 1.475 33.240 31.823 -0.097 0.000 1.004 72 V HN 0.996 nan 8.190 nan 0.000 0.466 73 C N 5.210 124.302 119.300 -0.345 0.000 2.651 73 C HA 0.171 4.633 4.460 0.004 0.000 0.410 73 C C 1.803 176.766 174.990 -0.046 0.000 1.372 73 C CA 0.074 58.952 59.018 -0.234 0.000 1.707 73 C CB -0.383 27.331 27.740 -0.045 0.000 2.501 73 C HN 1.140 nan 8.230 nan 0.000 0.598 74 E N 2.417 122.650 120.200 0.055 0.000 2.130 74 E HA -0.221 4.132 4.350 0.004 0.000 0.196 74 E C 2.156 178.780 176.600 0.039 0.000 0.998 74 E CA 2.080 58.514 56.400 0.056 0.000 0.806 74 E CB 0.149 29.909 29.700 0.100 0.000 0.738 74 E HN 0.867 nan 8.360 nan 0.000 0.459 75 R N -1.184 119.347 120.500 0.051 0.000 2.128 75 R HA 0.214 4.556 4.340 0.004 0.000 0.211 75 R C 0.597 176.912 176.300 0.025 0.000 1.067 75 R CA 0.774 56.894 56.100 0.034 0.000 1.010 75 R CB -0.211 30.112 30.300 0.038 0.000 0.922 75 R HN 0.219 nan 8.270 nan 0.000 0.457 76 C N 0.722 120.038 119.300 0.026 0.000 2.441 76 C HA 0.748 5.210 4.460 0.004 0.000 0.318 76 C C 0.602 175.592 174.990 -0.000 0.000 1.222 76 C CA -0.849 58.179 59.018 0.018 0.000 1.474 76 C CB 1.195 28.952 27.740 0.028 0.000 2.125 76 C HN 0.452 nan 8.230 nan 0.000 0.479 77 G N 3.957 112.757 108.800 0.001 0.000 2.716 77 G HA2 0.497 4.459 3.960 0.004 0.000 0.296 77 G HA3 0.497 4.459 3.960 0.004 0.000 0.296 77 G C -0.430 174.468 174.900 -0.004 0.000 0.811 77 G CA -0.058 45.038 45.100 -0.007 0.000 1.758 77 G HN 1.140 nan 8.290 nan 0.000 0.512 78 V N 3.151 123.049 119.914 -0.027 0.000 2.385 78 V HA 0.234 4.357 4.120 0.004 0.000 0.277 78 V C 0.057 176.134 176.094 -0.029 0.000 1.012 78 V CA -1.026 61.265 62.300 -0.015 0.000 0.832 78 V CB 1.312 33.137 31.823 0.004 0.000 1.028 78 V HN 0.711 nan 8.190 nan 0.000 0.436 79 E N 3.398 123.587 120.200 -0.018 0.000 2.331 79 E HA 0.593 4.945 4.350 0.004 0.000 0.272 79 E C -1.431 175.156 176.600 -0.022 0.000 1.036 79 E CA -0.128 56.267 56.400 -0.009 0.000 0.864 79 E CB 1.969 31.674 29.700 0.008 0.000 1.035 79 E HN 0.454 nan 8.360 nan 0.000 0.408 80 V N 3.240 123.155 119.914 0.002 0.000 2.808 80 V HA 0.346 4.468 4.120 0.004 0.000 0.308 80 V C 0.074 175.958 176.094 -0.350 0.000 1.099 80 V CA -0.761 61.468 62.300 -0.118 0.000 0.920 80 V CB 2.030 33.830 31.823 -0.037 0.000 1.014 80 V HN 0.810 nan 8.190 nan 0.000 0.425 81 T N 1.622 115.885 114.554 -0.485 0.000 2.708 81 T HA 0.474 4.826 4.350 0.004 0.000 0.256 81 T C 0.131 174.434 174.700 -0.662 0.000 0.946 81 T CA -0.652 61.045 62.100 -0.672 0.000 1.039 81 T CB 1.227 69.885 68.868 -0.349 0.000 1.557 81 T HN 0.568 nan 8.240 nan 0.000 0.576 82 K N 0.755 120.888 120.400 -0.444 0.000 2.545 82 K HA 0.166 4.488 4.320 0.004 0.000 0.269 82 K C 1.421 177.872 176.600 -0.250 0.000 1.071 82 K CA 0.348 56.454 56.287 -0.301 0.000 0.919 82 K CB -0.027 32.364 32.500 -0.183 0.000 1.169 82 K HN 0.561 nan 8.250 nan 0.000 0.493 83 S N 0.606 116.203 115.700 -0.171 0.000 2.723 83 S HA -0.079 4.394 4.470 0.004 0.000 0.231 83 S C 1.679 176.149 174.600 -0.216 0.000 0.967 83 S CA 0.768 58.877 58.200 -0.152 0.000 0.958 83 S CB -1.192 61.955 63.200 -0.089 0.000 0.778 83 S HN 0.560 nan 8.310 nan 0.000 0.537 84 I N 0.120 120.508 120.570 -0.304 0.000 2.179 84 I HA -0.152 4.020 4.170 0.004 0.000 0.242 84 I C 2.216 177.968 176.117 -0.608 0.000 1.088 84 I CA 1.124 62.123 61.300 -0.502 0.000 1.357 84 I CB -1.208 36.419 38.000 -0.622 0.000 1.051 84 I HN 0.246 nan 8.210 nan 0.000 0.409 85 V N 0.069 119.717 119.914 -0.443 0.000 2.527 85 V HA -0.283 3.839 4.120 0.004 0.000 0.255 85 V C 2.783 178.726 176.094 -0.252 0.000 1.081 85 V CA 2.320 64.418 62.300 -0.338 0.000 1.092 85 V CB -1.495 30.179 31.823 -0.249 0.000 0.673 85 V HN 0.527 nan 8.190 nan 0.000 0.470 86 R N 1.642 122.020 120.500 -0.203 0.000 2.115 86 R HA -0.124 4.218 4.340 0.004 0.000 0.226 86 R C 2.457 178.721 176.300 -0.060 0.000 1.100 86 R CA 1.648 57.692 56.100 -0.095 0.000 0.980 86 R CB -0.060 30.201 30.300 -0.066 0.000 0.875 86 R HN 0.708 nan 8.270 nan 0.000 0.445 87 R N -1.665 118.766 120.500 -0.115 0.000 2.317 87 R HA 0.038 4.380 4.340 0.004 0.000 0.208 87 R C 0.674 177.097 176.300 0.204 0.000 0.914 87 R CA 0.878 56.969 56.100 -0.015 0.000 1.060 87 R CB -0.116 30.166 30.300 -0.030 0.000 1.015 87 R HN 0.338 nan 8.270 nan 0.000 0.498 88 Y N -0.362 119.902 120.300 -0.060 0.000 2.444 88 Y HA 0.381 4.933 4.550 0.004 0.000 0.252 88 Y C 0.598 176.474 175.900 -0.039 0.000 1.091 88 Y CA -1.081 56.987 58.100 -0.054 0.000 1.276 88 Y CB 0.622 39.045 38.460 -0.061 0.000 1.170 88 Y HN -0.108 nan 8.280 nan 0.000 0.517 89 R N 1.044 121.601 120.500 0.094 0.000 2.615 89 R HA 0.321 4.663 4.340 0.004 0.000 0.270 89 R C -0.251 176.163 176.300 0.190 0.000 1.081 89 R CA 0.042 56.156 56.100 0.024 0.000 1.154 89 R CB 0.762 30.862 30.300 -0.333 0.000 1.063 89 R HN -0.009 nan 8.270 nan 0.000 0.519 90 M N 0.448 120.191 119.600 0.238 0.000 2.598 90 M HA 0.408 4.890 4.480 0.004 0.000 0.317 90 M C 0.161 176.587 176.300 0.210 0.000 1.179 90 M CA -0.628 54.856 55.300 0.306 0.000 0.936 90 M CB 2.258 35.092 32.600 0.390 0.000 1.713 90 M HN 0.744 nan 8.290 nan 0.000 0.460 91 G N 0.899 109.837 108.800 0.230 0.000 2.498 91 G HA2 0.736 4.699 3.960 0.004 0.000 0.312 91 G HA3 0.736 4.699 3.960 0.004 0.000 0.312 91 G C -1.418 173.626 174.900 0.241 0.000 1.230 91 G CA -0.355 44.790 45.100 0.074 0.000 0.968 91 G HN 0.836 nan 8.290 nan 0.000 0.481 92 H N -0.655 118.420 119.070 0.008 0.000 2.690 92 H HA 0.628 5.186 4.556 0.004 0.000 0.368 92 H C -1.399 173.939 175.328 0.018 0.000 1.150 92 H CA -1.457 54.600 56.048 0.016 0.000 1.174 92 H CB 1.631 31.363 29.762 -0.050 0.000 1.684 92 H HN 0.326 nan 8.280 nan 0.000 0.538 93 I N 1.827 122.359 120.570 -0.064 0.000 2.362 93 I HA 0.085 4.258 4.170 0.004 0.000 0.289 93 I C 0.049 176.124 176.117 -0.070 0.000 0.994 93 I CA -0.714 60.522 61.300 -0.107 0.000 1.158 93 I CB 1.646 39.651 38.000 0.008 0.000 1.315 93 I HN 0.533 nan 8.210 nan 0.000 0.451 94 E N 7.132 127.272 120.200 -0.100 0.000 1.941 94 E HA 0.279 4.631 4.350 0.004 0.000 0.275 94 E C -0.664 175.921 176.600 -0.024 0.000 1.113 94 E CA -0.181 56.201 56.400 -0.030 0.000 0.878 94 E CB 0.328 30.015 29.700 -0.023 0.000 1.070 94 E HN 0.462 nan 8.360 nan 0.000 0.399 95 L N 3.219 124.433 121.223 -0.016 0.000 2.483 95 L HA 0.077 4.419 4.340 0.004 0.000 0.275 95 L C 1.357 178.218 176.870 -0.016 0.000 1.220 95 L CA 0.222 55.050 54.840 -0.020 0.000 0.833 95 L CB 0.652 42.696 42.059 -0.026 0.000 1.102 95 L HN 0.761 nan 8.230 nan 0.000 0.490 96 A N 2.422 125.231 122.820 -0.018 0.000 1.839 96 A HA -0.024 4.299 4.320 0.004 0.000 0.213 96 A C 0.856 178.434 177.584 -0.010 0.000 1.274 96 A CA 1.075 53.105 52.037 -0.013 0.000 0.608 96 A CB -0.425 18.567 19.000 -0.014 0.000 0.920 96 A HN 0.670 nan 8.150 nan 0.000 0.465 97 T N 2.015 116.561 114.554 -0.013 0.000 2.767 97 T HA 0.510 4.862 4.350 0.004 0.000 0.288 97 T C -2.472 172.216 174.700 -0.020 0.000 0.963 97 T CA -0.887 61.207 62.100 -0.010 0.000 1.019 97 T CB 1.174 70.037 68.868 -0.008 0.000 0.923 97 T HN 0.154 nan 8.240 nan 0.000 0.468 98 P HA 0.198 nan 4.420 nan 0.000 0.274 98 P C -1.118 176.149 177.300 -0.056 0.000 1.209 98 P CA 0.082 63.172 63.100 -0.016 0.000 0.790 98 P CB 0.391 32.099 31.700 0.013 0.000 0.834 99 A N 0.236 123.003 122.820 -0.087 0.000 2.606 99 A HA 0.772 5.094 4.320 0.004 0.000 0.293 99 A C -1.302 176.169 177.584 -0.187 0.000 1.082 99 A CA -0.154 51.776 52.037 -0.179 0.000 0.685 99 A CB 1.545 20.431 19.000 -0.189 0.000 1.284 99 A HN 0.543 nan 8.150 nan 0.000 0.408 100 A N 0.300 122.929 122.820 -0.318 0.000 2.350 100 A HA 0.719 5.041 4.320 0.004 0.000 0.318 100 A C -0.338 177.167 177.584 -0.132 0.000 1.132 100 A CA -0.578 51.347 52.037 -0.186 0.000 0.811 100 A CB 0.503 19.334 19.000 -0.281 0.000 1.313 100 A HN 0.938 nan 8.150 nan 0.000 0.454 101 H N 0.972 120.007 119.070 -0.058 0.000 3.004 101 H HA 0.048 4.606 4.556 0.004 0.000 0.316 101 H C 0.988 176.270 175.328 -0.076 0.000 1.014 101 H CA 1.079 57.040 56.048 -0.146 0.000 1.454 101 H CB 0.915 30.470 29.762 -0.346 0.000 1.472 101 H HN 0.638 nan 8.280 nan 0.000 0.571 102 I N 4.691 125.277 120.570 0.026 0.000 2.676 102 I HA -0.208 3.965 4.170 0.004 0.000 0.259 102 I C 1.257 177.563 176.117 0.316 0.000 1.194 102 I CA 0.349 61.748 61.300 0.166 0.000 1.473 102 I CB 0.010 38.092 38.000 0.135 0.000 1.096 102 I HN 0.573 nan 8.210 nan 0.000 0.443 103 W N 0.532 121.873 121.300 0.069 0.000 2.392 103 W HA -0.132 4.530 4.660 0.004 0.000 0.279 103 W C 1.950 178.456 176.519 -0.022 0.000 1.225 103 W CA 1.339 58.645 57.345 -0.064 0.000 1.233 103 W CB -0.645 28.637 29.460 -0.296 0.000 1.122 103 W HN 0.148 nan 8.180 nan 0.000 0.561 104 F N -2.393 117.772 119.950 0.358 0.000 2.656 104 F HA -0.014 4.516 4.527 0.004 0.000 0.291 104 F C 1.788 177.704 175.800 0.195 0.000 1.122 104 F CA 0.110 58.238 58.000 0.213 0.000 1.427 104 F CB -0.252 38.868 39.000 0.201 0.000 1.125 104 F HN -0.397 nan 8.300 nan 0.000 0.583 105 V N -1.045 119.106 119.914 0.395 0.000 2.949 105 V HA 0.011 4.134 4.120 0.004 0.000 0.245 105 V C 1.672 177.914 176.094 0.247 0.000 1.086 105 V CA 1.011 63.522 62.300 0.350 0.000 1.097 105 V CB -0.105 31.962 31.823 0.406 0.000 0.762 105 V HN 0.053 nan 8.190 nan 0.000 0.470 106 K N 0.310 120.830 120.400 0.200 0.000 2.373 106 K HA 0.232 4.554 4.320 0.004 0.000 0.202 106 K C -0.090 176.540 176.600 0.050 0.000 1.025 106 K CA -0.091 56.269 56.287 0.122 0.000 1.115 106 K CB 0.051 32.622 32.500 0.119 0.000 0.858 106 K HN 0.433 nan 8.250 nan 0.000 0.525 107 D N 0.037 120.454 120.400 0.029 0.000 2.389 107 D HA -0.009 4.633 4.640 0.004 0.000 0.247 107 D C 1.565 177.806 176.300 -0.099 0.000 1.128 107 D CA -0.002 53.942 54.000 -0.094 0.000 0.884 107 D CB 1.187 41.878 40.800 -0.181 0.000 1.194 107 D HN -0.272 nan 8.370 nan 0.000 0.441 108 V N 3.795 123.634 119.914 -0.125 0.000 2.243 108 V HA -0.227 3.896 4.120 0.004 0.000 0.258 108 V C -1.356 174.700 176.094 -0.064 0.000 1.073 108 V CA 1.695 63.946 62.300 -0.082 0.000 1.069 108 V CB -1.647 30.126 31.823 -0.082 0.000 0.681 108 V HN 0.749 nan 8.190 nan 0.000 0.457 109 P HA 0.276 nan 4.420 nan 0.000 0.291 109 P C -0.596 176.697 177.300 -0.013 0.000 1.378 109 P CA 0.133 63.209 63.100 -0.041 0.000 0.853 109 P CB 1.144 32.825 31.700 -0.030 0.000 1.002 110 S N 3.198 118.912 115.700 0.024 0.000 2.611 110 S HA -0.019 4.453 4.470 0.004 0.000 0.317 110 S C 1.543 176.191 174.600 0.081 0.000 1.208 110 S CA -0.033 58.211 58.200 0.074 0.000 1.217 110 S CB -0.211 63.039 63.200 0.083 0.000 1.085 110 S HN 0.189 nan 8.310 nan 0.000 0.529 111 K N 3.988 124.451 120.400 0.104 0.000 2.173 111 K HA -0.129 4.193 4.320 0.004 0.000 0.207 111 K C 1.507 178.165 176.600 0.096 0.000 1.046 111 K CA 1.595 57.937 56.287 0.092 0.000 0.929 111 K CB -0.201 32.352 32.500 0.087 0.000 0.720 111 K HN 0.733 nan 8.250 nan 0.000 0.453 112 I N -1.059 119.586 120.570 0.125 0.000 2.852 112 I HA 0.112 4.285 4.170 0.004 0.000 0.264 112 I C 1.631 177.782 176.117 0.058 0.000 1.179 112 I CA 0.964 62.325 61.300 0.100 0.000 1.480 112 I CB -0.149 37.959 38.000 0.179 0.000 1.111 112 I HN 0.098 nan 8.210 nan 0.000 0.441 113 G N -0.483 108.354 108.800 0.062 0.000 2.408 113 G HA2 -0.148 3.814 3.960 0.004 0.000 0.215 113 G HA3 -0.148 3.814 3.960 0.004 0.000 0.215 113 G C 1.472 176.380 174.900 0.014 0.000 1.156 113 G CA 1.099 46.213 45.100 0.023 0.000 0.793 113 G HN 0.386 nan 8.290 nan 0.000 0.535 114 T N 0.793 115.363 114.554 0.027 0.000 2.851 114 T HA 0.035 4.388 4.350 0.004 0.000 0.262 114 T C 2.239 176.952 174.700 0.021 0.000 1.043 114 T CA 0.753 62.866 62.100 0.022 0.000 1.140 114 T CB -0.088 68.798 68.868 0.030 0.000 0.872 114 T HN 0.159 nan 8.240 nan 0.000 0.446 115 L N 0.205 121.447 121.223 0.030 0.000 1.988 115 L HA 0.243 4.586 4.340 0.004 0.000 0.207 115 L C 0.795 177.658 176.870 -0.012 0.000 1.071 115 L CA 1.051 55.903 54.840 0.021 0.000 0.744 115 L CB -0.039 42.039 42.059 0.032 0.000 0.893 115 L HN 0.199 nan 8.230 nan 0.000 0.433 116 L N 1.581 122.793 121.223 -0.019 0.000 2.283 116 L HA 0.088 4.431 4.340 0.004 0.000 0.287 116 L C -0.234 176.617 176.870 -0.031 0.000 1.073 116 L CA -0.183 54.636 54.840 -0.036 0.000 0.822 116 L CB 0.404 42.436 42.059 -0.045 0.000 1.186 116 L HN 0.193 nan 8.230 nan 0.000 0.436 117 D N 6.947 127.328 120.400 -0.032 0.000 2.385 117 D HA 0.166 4.808 4.640 0.004 0.000 0.260 117 D C -0.648 175.628 176.300 -0.041 0.000 1.326 117 D CA 0.188 54.170 54.000 -0.030 0.000 1.023 117 D CB 0.154 40.938 40.800 -0.027 0.000 1.083 117 D HN 0.390 nan 8.370 nan 0.000 0.517 118 L N 1.120 122.316 121.223 -0.045 0.000 2.283 118 L HA 0.275 4.617 4.340 0.004 0.000 0.259 118 L C 0.755 177.593 176.870 -0.054 0.000 1.027 118 L CA -1.174 53.629 54.840 -0.061 0.000 0.828 118 L CB 1.652 43.660 42.059 -0.085 0.000 1.380 118 L HN -0.044 nan 8.230 nan 0.000 0.425 119 S N 1.095 116.758 115.700 -0.063 0.000 2.611 119 S HA 0.051 4.523 4.470 0.004 0.000 0.317 119 S C 1.287 175.862 174.600 -0.041 0.000 1.208 119 S CA 0.280 58.450 58.200 -0.051 0.000 1.217 119 S CB 0.702 63.866 63.200 -0.059 0.000 1.085 119 S HN 0.731 nan 8.310 nan 0.000 0.529 120 A N 4.269 127.073 122.820 -0.025 0.000 1.968 120 A HA -0.300 4.023 4.320 0.004 0.000 0.227 120 A C 2.289 179.872 177.584 -0.002 0.000 1.381 120 A CA 2.857 54.889 52.037 -0.010 0.000 0.697 120 A CB -1.121 17.876 19.000 -0.004 0.000 0.836 120 A HN 0.862 nan 8.150 nan 0.000 0.497 121 T N -5.801 108.747 114.554 -0.009 0.000 2.954 121 T HA 0.279 4.631 4.350 0.004 0.000 0.252 121 T C 1.445 176.138 174.700 -0.012 0.000 0.983 121 T CA 0.859 62.960 62.100 0.001 0.000 0.941 121 T CB 0.239 69.106 68.868 -0.001 0.000 1.141 121 T HN 0.497 nan 8.240 nan 0.000 0.500 122 E N -0.165 120.016 120.200 -0.032 0.000 2.290 122 E HA 0.231 4.583 4.350 0.004 0.000 0.197 122 E C 1.776 178.334 176.600 -0.070 0.000 0.948 122 E CA 0.002 56.375 56.400 -0.045 0.000 0.895 122 E CB 0.160 29.831 29.700 -0.049 0.000 0.865 122 E HN 0.227 nan 8.360 nan 0.000 0.486 123 L N 1.686 122.857 121.223 -0.087 0.000 2.141 123 L HA -0.108 4.235 4.340 0.004 0.000 0.209 123 L C 1.966 178.752 176.870 -0.140 0.000 1.094 123 L CA 1.630 56.392 54.840 -0.129 0.000 0.763 123 L CB -0.370 41.615 42.059 -0.124 0.000 0.908 123 L HN 0.087 nan 8.230 nan 0.000 0.437 124 E N -0.608 119.517 120.200 -0.125 0.000 2.000 124 E HA -0.302 4.051 4.350 0.004 0.000 0.199 124 E C 2.197 178.775 176.600 -0.038 0.000 1.011 124 E CA 1.576 57.858 56.400 -0.197 0.000 0.836 124 E CB -0.364 29.291 29.700 -0.075 0.000 0.778 124 E HN 0.389 nan 8.360 nan 0.000 0.462 125 Q N -0.152 119.706 119.800 0.097 0.000 2.242 125 Q HA -0.179 4.163 4.340 0.004 0.000 0.211 125 Q C 2.003 178.104 176.000 0.169 0.000 0.992 125 Q CA 1.605 57.506 55.803 0.163 0.000 0.889 125 Q CB -0.454 28.285 28.738 0.001 0.000 0.913 125 Q HN 0.238 nan 8.270 nan 0.000 0.422 126 V N -0.153 119.792 119.914 0.051 0.000 2.237 126 V HA -0.240 3.882 4.120 0.004 0.000 0.245 126 V C 1.820 178.050 176.094 0.228 0.000 1.046 126 V CA 1.977 64.286 62.300 0.015 0.000 1.007 126 V CB -0.578 31.089 31.823 -0.260 0.000 0.638 126 V HN 0.579 nan 8.190 nan 0.000 0.445 127 L N -2.802 118.516 121.223 0.159 0.000 2.529 127 L HA 0.153 4.496 4.340 0.004 0.000 0.223 127 L C 1.951 179.000 176.870 0.298 0.000 1.113 127 L CA 0.999 56.042 54.840 0.339 0.000 0.861 127 L CB -1.825 40.330 42.059 0.160 0.000 1.012 127 L HN 0.272 nan 8.230 nan 0.000 0.461 128 Y N -0.794 119.653 120.300 0.246 0.000 2.176 128 Y HA -0.078 4.474 4.550 0.004 0.000 0.291 128 Y C 2.052 178.021 175.900 0.115 0.000 1.122 128 Y CA 0.879 59.087 58.100 0.181 0.000 1.128 128 Y CB 0.056 38.680 38.460 0.273 0.000 1.005 128 Y HN 0.127 nan 8.280 nan 0.000 0.509 129 F N -1.658 118.450 119.950 0.264 0.000 2.446 129 F HA 0.032 4.561 4.527 0.004 0.000 0.292 129 F C 1.825 177.699 175.800 0.123 0.000 1.096 129 F CA 0.318 58.409 58.000 0.152 0.000 1.438 129 F CB -0.442 38.631 39.000 0.122 0.000 1.107 129 F HN -0.195 nan 8.300 nan 0.000 0.546 130 S N -0.841 115.071 115.700 0.352 0.000 2.626 130 S HA 0.357 4.829 4.470 0.004 0.000 0.243 130 S C -0.207 174.421 174.600 0.046 0.000 1.116 130 S CA -0.537 57.785 58.200 0.203 0.000 1.089 130 S CB 0.513 63.872 63.200 0.265 0.000 1.180 130 S HN -0.047 nan 8.310 nan 0.000 0.523 131 K N 1.081 121.294 120.400 -0.313 0.000 2.464 131 K HA 0.426 4.748 4.320 0.004 0.000 0.252 131 K C -2.203 173.726 176.600 -1.119 0.000 1.000 131 K CA -0.206 55.773 56.287 -0.513 0.000 0.951 131 K CB 0.524 32.787 32.500 -0.396 0.000 1.183 131 K HN 0.548 nan 8.250 nan 0.000 0.445 132 Y N 3.337 123.648 120.300 0.019 0.000 2.275 132 Y HA 0.296 4.849 4.550 0.004 0.000 0.319 132 Y C -0.252 175.624 175.900 -0.039 0.000 1.204 132 Y CA -0.868 57.227 58.100 -0.008 0.000 1.136 132 Y CB 0.640 39.094 38.460 -0.010 0.000 1.228 132 Y HN 0.266 nan 8.280 nan 0.000 0.413 133 I N 4.095 124.671 120.570 0.009 0.000 2.713 133 I HA 0.656 4.828 4.170 0.004 0.000 0.300 133 I C -0.036 176.016 176.117 -0.108 0.000 1.009 133 I CA -1.334 59.907 61.300 -0.097 0.000 1.305 133 I CB 1.333 39.173 38.000 -0.267 0.000 1.430 133 I HN 0.410 nan 8.210 nan 0.000 0.546 134 V N 3.044 122.884 119.914 -0.124 0.000 2.823 134 V HA 0.515 4.637 4.120 0.004 0.000 0.312 134 V C -0.580 175.438 176.094 -0.127 0.000 1.072 134 V CA -0.954 61.283 62.300 -0.105 0.000 0.937 134 V CB 1.936 33.719 31.823 -0.067 0.000 1.013 134 V HN 0.536 nan 8.190 nan 0.000 0.430 135 L N 2.572 123.732 121.223 -0.104 0.000 2.281 135 L HA 0.369 4.712 4.340 0.004 0.000 0.285 135 L C 1.040 177.873 176.870 -0.061 0.000 1.074 135 L CA 0.059 54.847 54.840 -0.087 0.000 0.817 135 L CB 1.244 43.263 42.059 -0.066 0.000 1.168 135 L HN 0.993 nan 8.230 nan 0.000 0.434 136 D N 4.395 124.763 120.400 -0.054 0.000 2.129 136 D HA 0.015 4.657 4.640 0.004 0.000 0.220 136 D C -1.246 175.033 176.300 -0.035 0.000 0.988 136 D CA 0.956 54.931 54.000 -0.042 0.000 0.904 136 D CB -0.258 40.520 40.800 -0.036 0.000 1.018 136 D HN 0.269 nan 8.370 nan 0.000 0.444 137 P HA 0.169 nan 4.420 nan 0.000 0.207 137 P C -0.592 176.694 177.300 -0.023 0.000 1.169 137 P CA 0.940 64.025 63.100 -0.025 0.000 0.900 137 P CB 0.159 31.846 31.700 -0.022 0.000 0.747 138 K N -1.043 119.343 120.400 -0.022 0.000 2.477 138 K HA 0.755 5.078 4.320 0.004 0.000 0.255 138 K C -0.917 175.673 176.600 -0.016 0.000 0.952 138 K CA -0.997 55.281 56.287 -0.016 0.000 0.826 138 K CB 2.091 34.587 32.500 -0.007 0.000 1.331 138 K HN 0.078 nan 8.250 nan 0.000 0.437 139 G N 0.702 109.501 108.800 -0.002 0.000 3.594 139 G HA2 0.418 4.380 3.960 0.004 0.000 0.295 139 G HA3 0.418 4.380 3.960 0.004 0.000 0.295 139 G C 0.486 175.401 174.900 0.025 0.000 1.576 139 G CA -0.151 44.957 45.100 0.013 0.000 0.661 139 G HN 0.719 nan 8.290 nan 0.000 0.452 140 A N 1.472 124.316 122.820 0.040 0.000 1.954 140 A HA -0.094 4.229 4.320 0.004 0.000 0.222 140 A C 1.315 178.886 177.584 -0.022 0.000 1.199 140 A CA 1.128 53.150 52.037 -0.025 0.000 0.657 140 A CB -0.227 18.701 19.000 -0.120 0.000 0.823 140 A HN 0.583 nan 8.150 nan 0.000 0.463 141 I N -0.016 120.572 120.570 0.031 0.000 2.696 141 I HA 0.224 4.397 4.170 0.004 0.000 0.284 141 I C 0.358 176.493 176.117 0.031 0.000 1.129 141 I CA -0.156 61.166 61.300 0.036 0.000 1.410 141 I CB 0.800 38.846 38.000 0.077 0.000 1.399 141 I HN 0.270 nan 8.210 nan 0.000 0.579 142 L N 5.817 127.057 121.223 0.029 0.000 2.439 142 L HA 0.409 4.751 4.340 0.004 0.000 0.259 142 L C 1.185 178.076 176.870 0.035 0.000 1.129 142 L CA -0.464 54.392 54.840 0.026 0.000 0.803 142 L CB 0.196 42.268 42.059 0.022 0.000 1.161 142 L HN 0.694 nan 8.230 nan 0.000 0.462 143 N N -0.254 118.464 118.700 0.030 0.000 2.397 143 N HA 0.124 4.866 4.740 0.004 0.000 0.190 143 N C 0.883 176.411 175.510 0.029 0.000 1.099 143 N CA 0.817 53.887 53.050 0.033 0.000 0.876 143 N CB 1.854 40.358 38.487 0.029 0.000 1.143 143 N HN 0.854 nan 8.380 nan 0.000 0.468 144 G N 0.406 109.220 108.800 0.024 0.000 3.617 144 G HA2 0.009 3.972 3.960 0.004 0.000 0.217 144 G HA3 0.009 3.972 3.960 0.004 0.000 0.217 144 G C -0.680 174.229 174.900 0.015 0.000 0.967 144 G CA 0.213 45.325 45.100 0.020 0.000 0.878 144 G HN 0.213 nan 8.290 nan 0.000 0.439 145 V N 2.465 122.387 119.914 0.013 0.000 3.019 145 V HA 0.783 4.905 4.120 0.004 0.000 0.317 145 V C -1.966 174.131 176.094 0.005 0.000 1.094 145 V CA -2.231 60.073 62.300 0.007 0.000 1.000 145 V CB 2.315 34.141 31.823 0.005 0.000 1.060 145 V HN 0.088 nan 8.190 nan 0.000 0.443 146 P HA -0.017 nan 4.420 nan 0.000 0.271 146 P C -0.230 177.067 177.300 -0.004 0.000 1.233 146 P CA 0.334 63.431 63.100 -0.004 0.000 0.795 146 P CB 0.260 31.955 31.700 -0.008 0.000 0.936 147 V N 0.628 120.538 119.914 -0.007 0.000 2.720 147 V HA -0.105 4.018 4.120 0.004 0.000 0.307 147 V C 0.353 176.440 176.094 -0.011 0.000 1.071 147 V CA 0.471 62.767 62.300 -0.006 0.000 1.199 147 V CB -0.390 31.429 31.823 -0.008 0.000 0.900 147 V HN 0.375 nan 8.190 nan 0.000 0.494 148 E N 5.104 125.296 120.200 -0.014 0.000 2.001 148 E HA 0.273 4.626 4.350 0.004 0.000 0.279 148 E C 0.836 177.420 176.600 -0.027 0.000 1.045 148 E CA -0.070 56.318 56.400 -0.020 0.000 0.833 148 E CB 1.139 30.826 29.700 -0.021 0.000 1.077 148 E HN 0.710 nan 8.360 nan 0.000 0.397 149 K N 2.102 122.487 120.400 -0.025 0.000 2.089 149 K HA -0.156 4.166 4.320 0.004 0.000 0.210 149 K C 1.197 177.777 176.600 -0.034 0.000 1.048 149 K CA 1.381 57.652 56.287 -0.027 0.000 0.926 149 K CB 0.150 32.635 32.500 -0.025 0.000 0.714 149 K HN 0.181 nan 8.250 nan 0.000 0.448 150 R N -0.700 119.778 120.500 -0.036 0.000 2.539 150 R HA 0.170 4.512 4.340 0.004 0.000 0.342 150 R C -0.004 176.269 176.300 -0.044 0.000 0.941 150 R CA -0.137 55.938 56.100 -0.042 0.000 1.146 150 R CB 0.806 31.082 30.300 -0.041 0.000 1.541 150 R HN 0.066 nan 8.270 nan 0.000 0.525 151 Q N 1.160 120.936 119.800 -0.040 0.000 2.318 151 Q HA 0.331 4.674 4.340 0.004 0.000 0.222 151 Q C -0.373 175.599 176.000 -0.046 0.000 1.003 151 Q CA -0.032 55.747 55.803 -0.040 0.000 0.936 151 Q CB 0.861 29.581 28.738 -0.031 0.000 1.204 151 Q HN 0.249 nan 8.270 nan 0.000 0.524 152 L N -0.106 121.093 121.223 -0.039 0.000 2.346 152 L HA 0.769 5.112 4.340 0.004 0.000 0.274 152 L C -1.214 175.644 176.870 -0.020 0.000 1.007 152 L CA -1.302 53.514 54.840 -0.039 0.000 0.818 152 L CB 1.077 43.123 42.059 -0.021 0.000 1.284 152 L HN 0.398 nan 8.230 nan 0.000 0.424 153 L N 0.511 121.708 121.223 -0.043 0.000 2.303 153 L HA 0.789 5.131 4.340 0.004 0.000 0.266 153 L C 0.333 177.205 176.870 0.003 0.000 1.011 153 L CA -0.638 54.192 54.840 -0.016 0.000 0.818 153 L CB 1.287 43.325 42.059 -0.035 0.000 1.326 153 L HN 0.677 nan 8.230 nan 0.000 0.435 154 T N -1.573 113.015 114.554 0.056 0.000 2.899 154 T HA 0.191 4.543 4.350 0.004 0.000 0.284 154 T C 0.687 175.452 174.700 0.110 0.000 1.004 154 T CA 0.055 62.195 62.100 0.067 0.000 1.043 154 T CB 0.878 69.793 68.868 0.079 0.000 1.013 154 T HN 0.867 nan 8.240 nan 0.000 0.518 155 D N 1.150 121.609 120.400 0.098 0.000 2.158 155 D HA -0.113 4.529 4.640 0.004 0.000 0.197 155 D C 1.783 178.158 176.300 0.124 0.000 0.995 155 D CA 1.405 55.506 54.000 0.169 0.000 0.846 155 D CB 0.233 41.081 40.800 0.081 0.000 0.941 155 D HN 0.520 nan 8.370 nan 0.000 0.456 156 E N 0.160 120.409 120.200 0.083 0.000 2.047 156 E HA -0.138 4.214 4.350 0.004 0.000 0.191 156 E C 2.121 178.764 176.600 0.072 0.000 0.987 156 E CA 0.939 57.378 56.400 0.066 0.000 0.799 156 E CB -0.270 29.464 29.700 0.056 0.000 0.752 156 E HN 0.385 nan 8.360 nan 0.000 0.449 157 E N -0.239 120.015 120.200 0.089 0.000 2.285 157 E HA -0.108 4.244 4.350 0.004 0.000 0.194 157 E C 1.661 178.327 176.600 0.110 0.000 0.997 157 E CA 0.296 56.748 56.400 0.086 0.000 0.845 157 E CB -0.241 29.507 29.700 0.080 0.000 0.782 157 E HN 0.246 nan 8.360 nan 0.000 0.491 158 Y N 0.816 121.094 120.300 -0.036 0.000 2.286 158 Y HA 0.073 4.625 4.550 0.004 0.000 0.293 158 Y C 2.052 177.864 175.900 -0.147 0.000 1.124 158 Y CA 1.176 59.234 58.100 -0.071 0.000 1.178 158 Y CB -0.012 38.415 38.460 -0.055 0.000 1.010 158 Y HN -0.155 nan 8.280 nan 0.000 0.536 159 R N 0.431 120.790 120.500 -0.235 0.000 2.070 159 R HA -0.192 4.150 4.340 0.004 0.000 0.233 159 R C 2.154 178.117 176.300 -0.562 0.000 1.137 159 R CA 2.054 57.892 56.100 -0.436 0.000 0.945 159 R CB -0.187 30.059 30.300 -0.090 0.000 0.845 159 R HN 0.439 nan 8.270 nan 0.000 0.430 160 E N 0.453 120.578 120.200 -0.124 0.000 2.086 160 E HA -0.291 4.061 4.350 0.004 0.000 0.205 160 E C 1.986 178.542 176.600 -0.072 0.000 1.027 160 E CA 1.927 58.349 56.400 0.037 0.000 0.830 160 E CB -0.311 29.430 29.700 0.069 0.000 0.751 160 E HN 0.254 nan 8.360 nan 0.000 0.456 161 L N 0.921 122.072 121.223 -0.120 0.000 1.970 161 L HA -0.252 4.090 4.340 0.004 0.000 0.212 161 L C 2.562 179.336 176.870 -0.161 0.000 1.071 161 L CA 1.994 56.787 54.840 -0.078 0.000 0.751 161 L CB -0.234 41.825 42.059 -0.000 0.000 0.889 161 L HN -0.053 nan 8.230 nan 0.000 0.432 162 R N -1.157 119.123 120.500 -0.367 0.000 2.083 162 R HA -0.223 4.119 4.340 0.004 0.000 0.237 162 R C 1.960 178.144 176.300 -0.192 0.000 1.137 162 R CA 2.277 58.180 56.100 -0.328 0.000 0.951 162 R CB -0.482 29.525 30.300 -0.488 0.000 0.851 162 R HN 0.709 nan 8.270 nan 0.000 0.434 163 Y N -1.446 118.829 120.300 -0.043 0.000 2.470 163 Y HA 0.477 5.029 4.550 0.004 0.000 0.284 163 Y C 1.030 176.937 175.900 0.011 0.000 1.188 163 Y CA -0.374 57.717 58.100 -0.015 0.000 1.269 163 Y CB -0.326 38.120 38.460 -0.025 0.000 1.094 163 Y HN 0.326 nan 8.280 nan 0.000 0.518 164 G N 0.812 109.731 108.800 0.199 0.000 3.050 164 G HA2 -0.223 3.739 3.960 0.004 0.000 0.234 164 G HA3 -0.223 3.739 3.960 0.004 0.000 0.234 164 G C -0.594 174.415 174.900 0.182 0.000 1.521 164 G CA -0.175 45.022 45.100 0.162 0.000 1.090 164 G HN 0.199 nan 8.290 nan 0.000 0.556 165 K N 1.800 122.307 120.400 0.178 0.000 2.920 165 K HA 0.456 4.778 4.320 0.004 0.000 0.175 165 K C -0.290 176.395 176.600 0.141 0.000 1.099 165 K CA -0.109 56.282 56.287 0.173 0.000 0.939 165 K CB 0.333 32.904 32.500 0.119 0.000 1.148 165 K HN 0.535 nan 8.250 nan 0.000 0.613 166 Q N 1.618 121.507 119.800 0.148 0.000 2.279 166 Q HA 0.273 4.615 4.340 0.004 0.000 0.256 166 Q C -0.850 175.085 176.000 -0.108 0.000 0.937 166 Q CA -0.083 55.675 55.803 -0.075 0.000 0.933 166 Q CB 1.489 29.989 28.738 -0.397 0.000 1.189 166 Q HN 0.295 nan 8.270 nan 0.000 0.417 167 E N 1.453 121.614 120.200 -0.064 0.000 2.294 167 E HA 0.235 4.587 4.350 0.004 0.000 0.272 167 E C -1.379 175.128 176.600 -0.156 0.000 0.896 167 E CA -0.256 56.076 56.400 -0.114 0.000 0.802 167 E CB 1.971 31.672 29.700 0.002 0.000 1.267 167 E HN 0.329 nan 8.360 nan 0.000 0.406 168 T N 2.347 116.731 114.554 -0.283 0.000 2.845 168 T HA 0.342 4.695 4.350 0.004 0.000 0.288 168 T C -0.938 173.502 174.700 -0.433 0.000 0.980 168 T CA -0.200 61.769 62.100 -0.219 0.000 1.071 168 T CB 0.271 69.050 68.868 -0.148 0.000 0.941 168 T HN 0.248 nan 8.240 nan 0.000 0.487 169 Y N 3.108 123.368 120.300 -0.067 0.000 2.345 169 Y HA 0.357 4.909 4.550 0.004 0.000 0.331 169 Y C -2.291 173.576 175.900 -0.055 0.000 0.959 169 Y CA -2.550 55.516 58.100 -0.057 0.000 1.204 169 Y CB 1.297 39.718 38.460 -0.066 0.000 1.135 169 Y HN 0.471 nan 8.280 nan 0.000 0.477 170 P HA 0.225 nan 4.420 nan 0.000 0.274 170 P C -0.848 176.481 177.300 0.049 0.000 1.231 170 P CA -0.168 62.953 63.100 0.036 0.000 0.790 170 P CB 1.009 32.717 31.700 0.012 0.000 0.951 171 L N 3.906 125.150 121.223 0.035 0.000 2.381 171 L HA 0.449 4.791 4.340 0.004 0.000 0.274 171 L C -2.133 174.755 176.870 0.030 0.000 0.988 171 L CA -2.305 52.552 54.840 0.030 0.000 0.824 171 L CB 2.265 44.334 42.059 0.016 0.000 1.263 171 L HN 0.279 nan 8.230 nan 0.000 0.410 172 P HA 0.091 nan 4.420 nan 0.000 0.266 172 P C -2.564 174.751 177.300 0.025 0.000 1.195 172 P CA -0.844 62.270 63.100 0.022 0.000 0.768 172 P CB -0.277 31.435 31.700 0.019 0.000 0.838 173 P HA -0.113 nan 4.420 nan 0.000 0.264 173 P C 1.006 178.321 177.300 0.026 0.000 1.179 173 P CA 1.177 64.292 63.100 0.025 0.000 0.763 173 P CB -0.066 31.644 31.700 0.016 0.000 0.806 174 G N 1.028 109.846 108.800 0.031 0.000 2.189 174 G HA2 -0.232 3.731 3.960 0.004 0.000 0.267 174 G HA3 -0.232 3.731 3.960 0.004 0.000 0.267 174 G C 0.058 174.977 174.900 0.032 0.000 0.975 174 G CA 0.123 45.241 45.100 0.030 0.000 0.644 174 G HN 0.591 nan 8.290 nan 0.000 0.537 175 V N 1.333 121.269 119.914 0.036 0.000 2.465 175 V HA 0.500 4.623 4.120 0.004 0.000 0.279 175 V C 0.193 176.318 176.094 0.052 0.000 1.045 175 V CA -0.675 61.647 62.300 0.037 0.000 0.938 175 V CB 1.737 33.578 31.823 0.030 0.000 0.986 175 V HN 0.318 nan 8.190 nan 0.000 0.467 176 D N 2.912 123.344 120.400 0.053 0.000 2.253 176 D HA 0.622 5.265 4.640 0.004 0.000 0.249 176 D C 0.081 176.428 176.300 0.080 0.000 1.049 176 D CA -0.056 53.990 54.000 0.076 0.000 0.929 176 D CB 2.066 42.901 40.800 0.059 0.000 1.176 176 D HN 0.678 nan 8.370 nan 0.000 0.437 177 A N 2.411 125.310 122.820 0.132 0.000 2.257 177 A HA 0.455 4.777 4.320 0.004 0.000 0.289 177 A C 0.690 178.334 177.584 0.099 0.000 1.095 177 A CA -0.408 51.697 52.037 0.115 0.000 0.836 177 A CB 0.421 19.526 19.000 0.174 0.000 1.111 177 A HN 0.638 nan 8.150 nan 0.000 0.497 178 L N 0.591 121.851 121.223 0.062 0.000 2.791 178 L HA 0.288 4.631 4.340 0.004 0.000 0.239 178 L C -0.705 176.192 176.870 0.046 0.000 1.203 178 L CA 0.099 54.962 54.840 0.040 0.000 1.002 178 L CB -0.384 41.682 42.059 0.012 0.000 1.295 178 L HN 0.324 nan 8.230 nan 0.000 0.504 179 V N -0.507 119.466 119.914 0.098 0.000 3.049 179 V HA 0.404 4.527 4.120 0.004 0.000 0.309 179 V C -0.442 175.750 176.094 0.164 0.000 1.148 179 V CA -1.065 61.299 62.300 0.106 0.000 0.990 179 V CB 3.005 34.881 31.823 0.088 0.000 1.039 179 V HN 0.017 nan 8.190 nan 0.000 0.430 180 K N 1.182 121.629 120.400 0.079 0.000 2.107 180 K HA 0.291 4.614 4.320 0.004 0.000 0.251 180 K C 0.816 177.431 176.600 0.024 0.000 1.012 180 K CA -0.550 55.726 56.287 -0.019 0.000 0.920 180 K CB 0.757 33.229 32.500 -0.047 0.000 1.033 180 K HN 0.657 nan 8.250 nan 0.000 0.478 181 D N 1.083 121.341 120.400 -0.237 0.000 2.248 181 D HA -0.184 4.458 4.640 0.004 0.000 0.191 181 D C 0.778 177.144 176.300 0.111 0.000 1.013 181 D CA 1.811 55.706 54.000 -0.175 0.000 0.883 181 D CB 0.158 40.823 40.800 -0.226 0.000 0.915 181 D HN 0.800 nan 8.370 nan 0.000 0.448 182 G N 0.029 108.856 108.800 0.045 0.000 4.683 182 G HA2 0.117 4.079 3.960 0.004 0.000 0.273 182 G HA3 0.117 4.079 3.960 0.004 0.000 0.273 182 G C -0.197 174.722 174.900 0.031 0.000 1.065 182 G CA -0.416 44.715 45.100 0.051 0.000 0.837 182 G HN 0.100 nan 8.290 nan 0.000 0.526 183 E N 1.154 121.379 120.200 0.043 0.000 2.373 183 E HA 0.129 4.481 4.350 0.004 0.000 0.267 183 E C -0.260 176.348 176.600 0.014 0.000 1.032 183 E CA -0.347 56.066 56.400 0.020 0.000 0.889 183 E CB 0.638 30.355 29.700 0.029 0.000 0.984 183 E HN 0.042 nan 8.360 nan 0.000 0.425 184 E N 2.588 122.786 120.200 -0.004 0.000 2.328 184 E HA 0.085 4.438 4.350 0.004 0.000 0.265 184 E C -0.836 175.758 176.600 -0.009 0.000 1.057 184 E CA 0.047 56.441 56.400 -0.010 0.000 0.916 184 E CB 1.059 30.747 29.700 -0.021 0.000 0.993 184 E HN 0.206 nan 8.360 nan 0.000 0.446 185 V N 3.844 123.751 119.914 -0.011 0.000 2.513 185 V HA 0.365 4.488 4.120 0.004 0.000 0.299 185 V C 0.401 176.481 176.094 -0.024 0.000 1.035 185 V CA -0.856 61.430 62.300 -0.023 0.000 0.889 185 V CB 2.008 33.809 31.823 -0.037 0.000 0.988 185 V HN 0.327 nan 8.190 nan 0.000 0.440 186 V N 2.628 122.525 119.914 -0.028 0.000 2.850 186 V HA 0.414 4.537 4.120 0.004 0.000 0.315 186 V C 0.250 176.325 176.094 -0.032 0.000 1.064 186 V CA -1.270 61.017 62.300 -0.022 0.000 0.979 186 V CB 1.887 33.700 31.823 -0.017 0.000 1.039 186 V HN 0.861 nan 8.190 nan 0.000 0.452 187 K N 1.483 121.871 120.400 -0.020 0.000 2.430 187 K HA 0.325 4.648 4.320 0.004 0.000 0.280 187 K C 1.038 177.622 176.600 -0.026 0.000 1.063 187 K CA 1.214 57.489 56.287 -0.020 0.000 1.071 187 K CB -0.383 32.117 32.500 -0.000 0.000 0.899 187 K HN 1.095 nan 8.250 nan 0.000 0.473 188 G N 2.392 111.166 108.800 -0.044 0.000 2.218 188 G HA2 -0.260 3.703 3.960 0.004 0.000 0.216 188 G HA3 -0.260 3.703 3.960 0.004 0.000 0.216 188 G C -0.040 174.827 174.900 -0.055 0.000 0.994 188 G CA -0.136 44.939 45.100 -0.041 0.000 0.637 188 G HN 0.621 nan 8.290 nan 0.000 0.505 189 Q N 1.177 120.939 119.800 -0.065 0.000 2.337 189 Q HA 0.252 4.595 4.340 0.004 0.000 0.270 189 Q C -0.215 175.730 176.000 -0.091 0.000 1.002 189 Q CA 0.083 55.847 55.803 -0.065 0.000 0.888 189 Q CB 0.287 28.991 28.738 -0.058 0.000 1.222 189 Q HN 0.543 nan 8.270 nan 0.000 0.400 190 E N 4.456 124.615 120.200 -0.069 0.000 2.166 190 E HA 0.014 4.367 4.350 0.004 0.000 0.279 190 E C 0.458 177.011 176.600 -0.078 0.000 1.095 190 E CA -0.096 56.260 56.400 -0.074 0.000 0.888 190 E CB 0.666 30.340 29.700 -0.043 0.000 1.041 190 E HN 0.621 nan 8.360 nan 0.000 0.414 191 L N 2.476 123.626 121.223 -0.122 0.000 2.552 191 L HA 0.089 4.431 4.340 0.004 0.000 0.227 191 L C 0.521 177.352 176.870 -0.066 0.000 1.146 191 L CA 0.231 55.003 54.840 -0.114 0.000 0.858 191 L CB 0.107 42.045 42.059 -0.202 0.000 0.969 191 L HN 0.544 nan 8.230 nan 0.000 0.451 192 A N -1.936 120.853 122.820 -0.051 0.000 2.549 192 A HA 0.364 4.686 4.320 0.004 0.000 0.291 192 A C -2.231 175.344 177.584 -0.015 0.000 1.034 192 A CA -0.757 51.269 52.037 -0.018 0.000 0.655 192 A CB 0.034 19.025 19.000 -0.014 0.000 1.299 192 A HN -0.205 nan 8.150 nan 0.000 0.427 193 P HA -0.208 nan 4.420 nan 0.000 0.216 193 P C 1.485 178.783 177.300 -0.002 0.000 1.167 193 P CA 2.792 65.891 63.100 -0.001 0.000 0.914 193 P CB -0.056 31.648 31.700 0.006 0.000 0.793 194 G N -0.476 108.326 108.800 0.003 0.000 2.453 194 G HA2 0.061 4.023 3.960 0.004 0.000 0.215 194 G HA3 0.061 4.023 3.960 0.004 0.000 0.215 194 G C 0.649 175.555 174.900 0.010 0.000 1.147 194 G CA 0.109 45.214 45.100 0.009 0.000 0.802 194 G HN 0.212 nan 8.290 nan 0.000 0.535 195 V N 0.541 120.456 119.914 0.001 0.000 2.686 195 V HA 0.519 4.641 4.120 0.004 0.000 0.295 195 V C -0.285 175.757 176.094 -0.088 0.000 1.057 195 V CA -0.482 61.812 62.300 -0.010 0.000 1.012 195 V CB 1.832 33.655 31.823 0.000 0.000 1.006 195 V HN -0.052 nan 8.190 nan 0.000 0.477 196 V N 2.943 122.774 119.914 -0.139 0.000 2.668 196 V HA 0.320 4.442 4.120 0.004 0.000 0.304 196 V C 0.044 175.922 176.094 -0.360 0.000 1.071 196 V CA -0.426 61.763 62.300 -0.185 0.000 0.894 196 V CB 2.326 34.101 31.823 -0.080 0.000 1.008 196 V HN 0.922 nan 8.190 nan 0.000 0.425 197 S N 4.063 119.512 115.700 -0.418 0.000 2.579 197 S HA 0.298 4.771 4.470 0.004 0.000 0.275 197 S C 1.005 175.492 174.600 -0.188 0.000 1.345 197 S CA -0.420 57.483 58.200 -0.495 0.000 1.031 197 S CB 0.542 63.546 63.200 -0.326 0.000 0.892 197 S HN 0.671 nan 8.310 nan 0.000 0.529 198 R N 0.335 120.804 120.500 -0.052 0.000 2.437 198 R HA 0.396 4.738 4.340 0.004 0.000 0.257 198 R C -0.532 175.798 176.300 0.049 0.000 0.927 198 R CA 0.029 56.158 56.100 0.049 0.000 1.078 198 R CB 0.003 30.391 30.300 0.147 0.000 1.161 198 R HN 0.456 nan 8.270 nan 0.000 0.529 199 L N -0.020 121.224 121.223 0.035 0.000 2.540 199 L HA 0.341 4.683 4.340 0.004 0.000 0.256 199 L C -1.443 175.438 176.870 0.019 0.000 1.001 199 L CA -0.659 54.205 54.840 0.039 0.000 0.843 199 L CB 2.776 44.877 42.059 0.070 0.000 1.436 199 L HN -0.168 nan 8.230 nan 0.000 0.410 200 D N 0.599 121.012 120.400 0.021 0.000 2.344 200 D HA 0.675 5.317 4.640 0.004 0.000 0.244 200 D C 0.219 176.533 176.300 0.024 0.000 1.134 200 D CA 1.412 55.420 54.000 0.014 0.000 0.930 200 D CB 1.367 42.175 40.800 0.014 0.000 1.175 200 D HN 0.894 nan 8.370 nan 0.000 0.437 201 G N -0.824 107.986 108.800 0.016 0.000 2.334 201 G HA2 0.176 4.138 3.960 0.004 0.000 0.249 201 G HA3 0.176 4.138 3.960 0.004 0.000 0.249 201 G C -1.692 173.218 174.900 0.017 0.000 1.327 201 G CA -0.693 44.422 45.100 0.025 0.000 0.979 201 G HN 0.463 nan 8.290 nan 0.000 0.471 202 V N 1.194 121.123 119.914 0.026 0.000 2.384 202 V HA 0.697 4.819 4.120 0.004 0.000 0.287 202 V C 0.772 176.883 176.094 0.028 0.000 1.020 202 V CA -0.088 62.227 62.300 0.025 0.000 0.850 202 V CB 0.961 32.804 31.823 0.033 0.000 0.987 202 V HN 1.713 nan 8.190 nan 0.000 0.436 203 A N 7.140 129.977 122.820 0.028 0.000 2.396 203 A HA 0.692 5.015 4.320 0.004 0.000 0.279 203 A C -0.274 177.353 177.584 0.072 0.000 1.165 203 A CA -0.135 51.917 52.037 0.025 0.000 0.824 203 A CB -0.222 18.791 19.000 0.021 0.000 1.100 203 A HN 0.825 nan 8.150 nan 0.000 0.516 204 L N 2.120 123.364 121.223 0.034 0.000 2.325 204 L HA 0.473 4.816 4.340 0.004 0.000 0.278 204 L C -0.903 175.985 176.870 0.030 0.000 1.023 204 L CA -0.901 53.982 54.840 0.071 0.000 0.811 204 L CB 1.019 43.088 42.059 0.017 0.000 1.249 204 L HN 0.583 nan 8.230 nan 0.000 0.431 205 Y N 1.810 122.067 120.300 -0.072 0.000 2.313 205 Y HA 0.347 4.899 4.550 0.004 0.000 0.332 205 Y C 0.263 176.049 175.900 -0.189 0.000 1.071 205 Y CA -0.460 57.588 58.100 -0.087 0.000 1.169 205 Y CB 1.014 39.440 38.460 -0.057 0.000 1.192 205 Y HN 0.333 nan 8.280 nan 0.000 0.487 206 R N 5.152 125.542 120.500 -0.184 0.000 2.215 206 R HA 0.295 4.638 4.340 0.004 0.000 0.336 206 R C -0.615 175.521 176.300 -0.274 0.000 0.996 206 R CA -0.741 55.042 56.100 -0.527 0.000 0.847 206 R CB -0.103 29.945 30.300 -0.421 0.000 1.127 206 R HN 0.731 nan 8.270 nan 0.000 0.465 392 S N -0.665 115.073 115.700 0.063 0.000 2.567 392 S HA 0.753 5.225 4.470 0.004 0.000 0.270 392 S C -1.402 173.113 174.600 -0.141 0.000 1.152 392 S CA -0.547 57.650 58.200 -0.005 0.000 0.835 392 S CB 0.922 64.155 63.200 0.055 0.000 1.115 392 S HN 0.675 nan 8.310 nan 0.000 0.459 393 I N 2.058 122.553 120.570 -0.126 0.000 2.433 393 I HA 0.427 4.600 4.170 0.004 0.000 0.292 393 I C -0.830 175.267 176.117 -0.033 0.000 1.001 393 I CA -1.071 60.111 61.300 -0.197 0.000 1.119 393 I CB 1.837 39.691 38.000 -0.243 0.000 1.289 393 I HN 0.757 nan 8.210 nan 0.000 0.438 394 L N 5.607 126.793 121.223 -0.062 0.000 2.301 394 L HA 0.649 4.991 4.340 0.004 0.000 0.278 394 L C -0.536 176.342 176.870 0.012 0.000 1.022 394 L CA -0.775 54.054 54.840 -0.018 0.000 0.854 394 L CB 1.028 43.040 42.059 -0.078 0.000 1.226 394 L HN 0.199 nan 8.230 nan 0.000 0.429 395 V N 3.554 123.517 119.914 0.081 0.000 2.924 395 V HA 0.451 4.574 4.120 0.004 0.000 0.305 395 V C 0.533 176.659 176.094 0.054 0.000 1.073 395 V CA -0.296 62.042 62.300 0.064 0.000 1.098 395 V CB 1.378 33.256 31.823 0.091 0.000 1.000 395 V HN 0.697 nan 8.190 nan 0.000 0.484 396 V N 0.923 120.867 119.914 0.050 0.000 2.777 396 V HA 0.488 4.611 4.120 0.004 0.000 0.306 396 V C -0.488 175.646 176.094 0.067 0.000 1.112 396 V CA -1.306 61.031 62.300 0.062 0.000 0.917 396 V CB 1.566 33.423 31.823 0.056 0.000 1.018 396 V HN 0.765 nan 8.190 nan 0.000 0.426 397 K N 2.725 123.174 120.400 0.081 0.000 2.165 397 K HA 0.637 4.959 4.320 0.004 0.000 0.270 397 K C 0.027 176.675 176.600 0.081 0.000 1.091 397 K CA 0.819 57.151 56.287 0.075 0.000 1.019 397 K CB -0.225 32.324 32.500 0.081 0.000 1.101 397 K HN 1.243 nan 8.250 nan 0.000 0.397 398 A N 3.720 126.582 122.820 0.071 0.000 2.564 398 A HA 0.555 4.877 4.320 0.004 0.000 0.291 398 A C -1.167 176.455 177.584 0.064 0.000 1.102 398 A CA -0.981 51.107 52.037 0.085 0.000 0.660 398 A CB 1.105 20.162 19.000 0.095 0.000 1.283 398 A HN 0.603 nan 8.150 nan 0.000 0.430 399 R N -0.817 119.737 120.500 0.090 0.000 2.782 399 R HA 0.760 5.103 4.340 0.004 0.000 0.258 399 R C -1.478 174.833 176.300 0.018 0.000 1.055 399 R CA -0.792 55.314 56.100 0.009 0.000 1.065 399 R CB 2.020 32.320 30.300 -0.000 0.000 1.172 399 R HN 0.565 nan 8.270 nan 0.000 0.510 400 V N 2.554 122.356 119.914 -0.187 0.000 2.569 400 V HA 0.385 4.507 4.120 0.004 0.000 0.301 400 V C -1.874 174.114 176.094 -0.178 0.000 1.044 400 V CA -0.592 61.682 62.300 -0.043 0.000 0.874 400 V CB 1.404 33.220 31.823 -0.012 0.000 1.002 400 V HN 0.582 nan 8.190 nan 0.000 0.424 401 Y N 6.668 127.006 120.300 0.062 0.000 2.388 401 Y HA 0.592 5.145 4.550 0.004 0.000 0.328 401 Y C -2.371 173.602 175.900 0.123 0.000 0.963 401 Y CA -3.228 54.916 58.100 0.073 0.000 1.240 401 Y CB 1.417 39.917 38.460 0.066 0.000 1.118 401 Y HN 0.471 nan 8.280 nan 0.000 0.484 402 P HA 0.210 nan 4.420 nan 0.000 0.275 402 P C -0.964 176.447 177.300 0.186 0.000 1.228 402 P CA -0.139 63.026 63.100 0.108 0.000 0.786 402 P CB 0.480 32.181 31.700 0.001 0.000 0.927 403 F N -1.043 118.933 119.950 0.043 0.000 2.569 403 F HA 0.552 5.081 4.527 0.004 0.000 0.312 403 F C 0.576 176.387 175.800 0.018 0.000 1.109 403 F CA -0.844 57.175 58.000 0.031 0.000 0.919 403 F CB 1.563 40.579 39.000 0.026 0.000 1.211 403 F HN 0.220 nan 8.300 nan 0.000 0.446 404 E N 0.351 120.606 120.200 0.091 0.000 2.166 404 E HA 0.031 4.384 4.350 0.004 0.000 0.192 404 E C -0.273 176.405 176.600 0.130 0.000 0.967 404 E CA 0.361 56.770 56.400 0.016 0.000 0.840 404 E CB 0.207 29.918 29.700 0.020 0.000 0.795 404 E HN 0.552 nan 8.360 nan 0.000 0.470 405 D N 1.206 121.740 120.400 0.224 0.000 2.332 405 D HA -0.006 4.636 4.640 0.004 0.000 0.252 405 D C -0.529 175.943 176.300 0.287 0.000 1.050 405 D CA -0.391 53.727 54.000 0.197 0.000 0.970 405 D CB 0.908 41.773 40.800 0.108 0.000 1.141 405 D HN 0.008 nan 8.370 nan 0.000 0.485 406 D N -0.237 120.251 120.400 0.148 0.000 2.474 406 D HA -0.089 4.553 4.640 0.004 0.000 0.232 406 D C -0.285 175.907 176.300 -0.179 0.000 1.177 406 D CA 0.057 54.080 54.000 0.039 0.000 0.876 406 D CB 0.573 41.379 40.800 0.010 0.000 1.208 406 D HN -0.082 nan 8.370 nan 0.000 0.464 407 V N 1.632 121.302 119.914 -0.406 0.000 2.607 407 V HA 0.078 4.200 4.120 0.004 0.000 0.289 407 V C 1.302 177.241 176.094 -0.258 0.000 1.053 407 V CA -0.377 61.604 62.300 -0.533 0.000 0.996 407 V CB 0.994 32.428 31.823 -0.648 0.000 0.995 407 V HN 0.690 nan 8.190 nan 0.000 0.476 408 E N 2.483 122.556 120.200 -0.212 0.000 2.431 408 E HA 0.145 4.498 4.350 0.004 0.000 0.200 408 E C 0.165 176.696 176.600 -0.114 0.000 0.995 408 E CA 0.284 56.606 56.400 -0.130 0.000 0.915 408 E CB 0.511 30.150 29.700 -0.102 0.000 0.930 408 E HN 0.574 nan 8.360 nan 0.000 0.496 409 V N 0.964 120.794 119.914 -0.140 0.000 2.837 409 V HA 0.505 4.627 4.120 0.004 0.000 0.310 409 V C 0.140 176.179 176.094 -0.092 0.000 1.059 409 V CA -0.436 61.802 62.300 -0.104 0.000 1.004 409 V CB 1.725 33.484 31.823 -0.106 0.000 1.045 409 V HN 0.245 nan 8.190 nan 0.000 0.465 410 S N 0.134 115.801 115.700 -0.056 0.000 2.566 410 S HA 0.482 4.954 4.470 0.004 0.000 0.298 410 S C -0.382 174.208 174.600 -0.017 0.000 1.083 410 S CA -0.716 57.462 58.200 -0.036 0.000 0.978 410 S CB 1.462 64.646 63.200 -0.026 0.000 1.073 410 S HN 0.655 nan 8.310 nan 0.000 0.491 411 T N 2.259 116.810 114.554 -0.005 0.000 2.792 411 T HA 0.466 4.818 4.350 0.004 0.000 0.286 411 T C 1.459 176.167 174.700 0.013 0.000 0.970 411 T CA 0.994 63.101 62.100 0.011 0.000 1.187 411 T CB -0.184 68.695 68.868 0.018 0.000 0.915 411 T HN 1.470 nan 8.240 nan 0.000 0.529 412 G N 3.709 112.521 108.800 0.019 0.000 2.541 412 G HA2 -0.183 3.779 3.960 0.004 0.000 0.201 412 G HA3 -0.183 3.779 3.960 0.004 0.000 0.201 412 G C -0.053 174.857 174.900 0.016 0.000 1.026 412 G CA -0.258 44.853 45.100 0.018 0.000 0.687 412 G HN 0.712 nan 8.290 nan 0.000 0.492 413 D N 1.190 121.597 120.400 0.012 0.000 2.399 413 D HA 0.577 5.220 4.640 0.004 0.000 0.241 413 D C 0.953 177.274 176.300 0.036 0.000 1.133 413 D CA 0.024 54.032 54.000 0.013 0.000 0.890 413 D CB 0.508 41.309 40.800 0.002 0.000 1.201 413 D HN 0.317 nan 8.370 nan 0.000 0.432 414 R N 0.841 121.372 120.500 0.052 0.000 2.500 414 R HA 0.721 5.063 4.340 0.004 0.000 0.277 414 R C -0.798 175.594 176.300 0.155 0.000 1.026 414 R CA -0.635 55.542 56.100 0.128 0.000 1.058 414 R CB 1.324 31.688 30.300 0.106 0.000 1.078 414 R HN 0.171 nan 8.270 nan 0.000 0.509 415 V N 0.264 120.302 119.914 0.208 0.000 3.114 415 V HA 0.841 4.964 4.120 0.004 0.000 0.308 415 V C -0.836 175.242 176.094 -0.026 0.000 1.168 415 V CA -0.836 61.507 62.300 0.071 0.000 1.015 415 V CB 2.236 34.039 31.823 -0.033 0.000 1.050 415 V HN 0.906 nan 8.190 nan 0.000 0.433 416 A N 3.210 125.887 122.820 -0.238 0.000 2.437 416 A HA 0.987 5.309 4.320 0.004 0.000 0.292 416 A C -3.040 174.197 177.584 -0.578 0.000 1.173 416 A CA -2.103 49.491 52.037 -0.739 0.000 0.785 416 A CB 1.854 20.477 19.000 -0.629 0.000 1.351 416 A HN 0.599 nan 8.150 nan 0.000 0.431 417 P HA 0.323 nan 4.420 nan 0.000 0.265 417 P C 0.888 178.053 177.300 -0.225 0.000 1.222 417 P CA 2.147 65.038 63.100 -0.349 0.000 0.767 417 P CB 0.633 32.157 31.700 -0.294 0.000 0.801 418 G N 3.358 112.058 108.800 -0.168 0.000 2.561 418 G HA2 -0.179 3.783 3.960 0.004 0.000 0.203 418 G HA3 -0.179 3.783 3.960 0.004 0.000 0.203 418 G C -0.316 174.512 174.900 -0.121 0.000 1.101 418 G CA -0.569 44.461 45.100 -0.118 0.000 0.711 418 G HN 0.473 nan 8.290 nan 0.000 0.511 419 D N 1.933 122.248 120.400 -0.141 0.000 2.752 419 D HA 0.319 4.961 4.640 0.004 0.000 0.225 419 D C 1.042 177.261 176.300 -0.135 0.000 1.104 419 D CA 0.421 54.348 54.000 -0.122 0.000 0.832 419 D CB 1.012 41.738 40.800 -0.124 0.000 1.161 419 D HN 0.415 nan 8.370 nan 0.000 0.505 420 V N 3.612 123.464 119.914 -0.104 0.000 2.843 420 V HA 0.034 4.156 4.120 0.004 0.000 0.305 420 V C 1.491 177.507 176.094 -0.130 0.000 1.065 420 V CA 0.150 62.386 62.300 -0.106 0.000 1.116 420 V CB 0.930 32.709 31.823 -0.074 0.000 0.968 420 V HN 0.489 nan 8.190 nan 0.000 0.487 421 L N 2.626 123.759 121.223 -0.149 0.000 2.730 421 L HA 0.675 5.018 4.340 0.004 0.000 0.236 421 L C 0.585 177.339 176.870 -0.194 0.000 1.061 421 L CA 0.747 55.481 54.840 -0.176 0.000 0.898 421 L CB 0.347 42.274 42.059 -0.220 0.000 1.270 421 L HN 0.766 nan 8.230 nan 0.000 0.500 422 A N -0.937 121.795 122.820 -0.146 0.000 2.515 422 A HA 0.443 4.766 4.320 0.004 0.000 0.292 422 A C -1.318 176.244 177.584 -0.037 0.000 1.065 422 A CA -0.314 51.627 52.037 -0.160 0.000 0.641 422 A CB 0.428 19.218 19.000 -0.349 0.000 1.306 422 A HN 0.209 nan 8.150 nan 0.000 0.441 423 D N -0.277 120.123 120.400 -0.000 0.000 2.723 423 D HA 0.009 4.651 4.640 0.004 0.000 0.236 423 D C 0.931 177.239 176.300 0.013 0.000 1.138 423 D CA 2.916 56.941 54.000 0.042 0.000 0.676 423 D CB -1.734 39.117 40.800 0.085 0.000 1.069 423 D HN 2.394 nan 8.370 nan 0.000 0.430 424 G N -0.341 108.454 108.800 -0.009 0.000 2.601 424 G HA2 -0.110 3.852 3.960 0.004 0.000 0.252 424 G HA3 -0.110 3.852 3.960 0.004 0.000 0.252 424 G C 1.044 175.933 174.900 -0.019 0.000 1.294 424 G CA 0.479 45.572 45.100 -0.013 0.000 0.912 424 G HN 0.926 nan 8.290 nan 0.000 0.574 425 G N -0.074 108.716 108.800 -0.017 0.000 2.882 425 G HA2 0.143 4.105 3.960 0.004 0.000 0.206 425 G HA3 0.143 4.105 3.960 0.004 0.000 0.206 425 G C 1.346 176.239 174.900 -0.013 0.000 1.155 425 G CA 1.502 46.589 45.100 -0.022 0.000 0.800 425 G HN 0.789 nan 8.290 nan 0.000 0.524 426 K N -0.115 120.285 120.400 0.001 0.000 1.984 426 K HA -0.015 4.307 4.320 0.004 0.000 0.209 426 K C 0.409 177.025 176.600 0.026 0.000 1.046 426 K CA 0.706 57.004 56.287 0.018 0.000 0.934 426 K CB -0.172 32.347 32.500 0.031 0.000 0.717 426 K HN 0.118 nan 8.250 nan 0.000 0.438 427 V N 3.378 123.307 119.914 0.025 0.000 2.368 427 V HA 0.151 4.273 4.120 0.004 0.000 0.266 427 V C -0.331 175.727 176.094 -0.060 0.000 1.045 427 V CA -0.160 62.158 62.300 0.030 0.000 0.899 427 V CB 1.036 32.904 31.823 0.076 0.000 1.006 427 V HN 0.223 nan 8.190 nan 0.000 0.470 428 K N 2.669 123.022 120.400 -0.078 0.000 2.281 428 K HA 0.586 4.908 4.320 0.004 0.000 0.242 428 K C -0.159 176.231 176.600 -0.351 0.000 0.971 428 K CA -0.564 55.622 56.287 -0.168 0.000 0.834 428 K CB 2.249 34.695 32.500 -0.090 0.000 1.181 428 K HN 0.559 nan 8.250 nan 0.000 0.435 429 S N 0.062 115.502 115.700 -0.432 0.000 2.632 429 S HA 0.109 4.582 4.470 0.004 0.000 0.267 429 S C -0.087 174.398 174.600 -0.190 0.000 1.276 429 S CA -0.249 57.602 58.200 -0.582 0.000 0.998 429 S CB 0.428 63.378 63.200 -0.417 0.000 0.953 429 S HN 0.568 nan 8.310 nan 0.000 0.547 430 D N 0.377 120.791 120.400 0.023 0.000 2.514 430 D HA 0.263 4.906 4.640 0.004 0.000 0.225 430 D C -0.642 175.656 176.300 -0.003 0.000 1.159 430 D CA 0.389 54.428 54.000 0.065 0.000 0.823 430 D CB 1.036 41.949 40.800 0.188 0.000 1.097 430 D HN 0.257 nan 8.370 nan 0.000 0.519 431 V N 0.694 120.599 119.914 -0.015 0.000 3.078 431 V HA 0.310 4.432 4.120 0.004 0.000 0.311 431 V C -0.836 175.186 176.094 -0.119 0.000 1.138 431 V CA -1.016 61.265 62.300 -0.032 0.000 1.007 431 V CB 2.033 33.906 31.823 0.083 0.000 1.045 431 V HN -0.090 nan 8.190 nan 0.000 0.432 432 Y N 1.164 121.394 120.300 -0.117 0.000 2.397 432 Y HA 0.625 5.178 4.550 0.004 0.000 0.335 432 Y C 0.987 176.892 175.900 0.008 0.000 1.213 432 Y CA 1.533 59.509 58.100 -0.206 0.000 1.391 432 Y CB 1.148 39.256 38.460 -0.587 0.000 1.293 432 Y HN 0.985 nan 8.280 nan 0.000 0.557 433 G N 1.760 110.743 108.800 0.305 0.000 2.336 433 G HA2 0.155 4.117 3.960 0.004 0.000 0.300 433 G HA3 0.155 4.117 3.960 0.004 0.000 0.300 433 G C -1.569 173.455 174.900 0.205 0.000 1.375 433 G CA -1.287 43.972 45.100 0.265 0.000 0.885 433 G HN 0.383 nan 8.290 nan 0.000 0.599 434 R N -1.157 119.435 120.500 0.153 0.000 2.726 434 R HA 0.632 4.975 4.340 0.004 0.000 0.272 434 R C -0.199 176.152 176.300 0.084 0.000 1.097 434 R CA -0.251 55.912 56.100 0.105 0.000 1.198 434 R CB 1.188 31.541 30.300 0.089 0.000 1.114 434 R HN 0.423 nan 8.270 nan 0.000 0.550 435 V N 1.346 121.295 119.914 0.059 0.000 2.769 435 V HA 0.320 4.443 4.120 0.004 0.000 0.312 435 V C -0.845 175.276 176.094 0.045 0.000 1.061 435 V CA -0.640 61.686 62.300 0.044 0.000 0.931 435 V CB 2.066 33.897 31.823 0.014 0.000 1.010 435 V HN 0.699 nan 8.190 nan 0.000 0.433 436 E N 2.260 122.492 120.200 0.052 0.000 2.580 436 E HA 0.339 4.691 4.350 0.004 0.000 0.248 436 E C -1.147 175.492 176.600 0.064 0.000 1.018 436 E CA -0.362 56.071 56.400 0.054 0.000 0.775 436 E CB 1.912 31.648 29.700 0.060 0.000 1.378 436 E HN 0.386 nan 8.360 nan 0.000 0.401 437 V N 3.022 122.966 119.914 0.049 0.000 2.287 437 V HA 0.026 4.148 4.120 0.004 0.000 0.246 437 V C 0.073 176.231 176.094 0.106 0.000 1.165 437 V CA -0.092 62.250 62.300 0.071 0.000 1.088 437 V CB -0.071 31.756 31.823 0.007 0.000 1.242 437 V HN 0.633 nan 8.190 nan 0.000 0.497 438 D N 4.709 125.188 120.400 0.132 0.000 2.344 438 D HA 0.178 4.821 4.640 0.004 0.000 0.253 438 D C 0.634 177.019 176.300 0.141 0.000 1.255 438 D CA 0.001 54.066 54.000 0.107 0.000 0.894 438 D CB 1.573 42.421 40.800 0.079 0.000 1.067 438 D HN 0.427 nan 8.370 nan 0.000 0.492 439 L N 2.954 124.248 121.223 0.119 0.000 2.728 439 L HA 0.040 4.382 4.340 0.004 0.000 0.235 439 L C 1.582 178.479 176.870 0.045 0.000 1.197 439 L CA -0.113 54.798 54.840 0.120 0.000 0.992 439 L CB 0.474 42.612 42.059 0.131 0.000 1.263 439 L HN 0.235 nan 8.230 nan 0.000 0.484 440 V N -1.513 118.416 119.914 0.026 0.000 3.307 440 V HA 0.054 4.177 4.120 0.004 0.000 0.253 440 V C 1.844 177.922 176.094 -0.027 0.000 1.149 440 V CA 0.683 62.983 62.300 0.000 0.000 1.112 440 V CB -0.038 31.786 31.823 0.003 0.000 0.777 440 V HN 0.398 nan 8.190 nan 0.000 0.464 441 R N -0.301 120.180 120.500 -0.032 0.000 2.549 441 R HA 0.287 4.629 4.340 0.004 0.000 0.344 441 R C 0.202 176.429 176.300 -0.122 0.000 0.979 441 R CA -0.183 55.879 56.100 -0.063 0.000 1.140 441 R CB 0.358 30.634 30.300 -0.039 0.000 1.377 441 R HN 0.313 nan 8.270 nan 0.000 0.541 442 N N 0.653 119.259 118.700 -0.157 0.000 2.714 442 N HA -0.178 4.564 4.740 0.004 0.000 0.252 442 N C -1.228 173.914 175.510 -0.614 0.000 1.014 442 N CA 0.973 53.760 53.050 -0.439 0.000 0.735 442 N CB -0.708 37.488 38.487 -0.485 0.000 0.924 442 N HN 0.119 nan 8.380 nan 0.000 0.540 443 V N -0.921 118.939 119.914 -0.090 0.000 3.130 443 V HA 0.691 4.813 4.120 0.004 0.000 0.310 443 V C -0.831 175.506 176.094 0.405 0.000 1.158 443 V CA -0.691 61.697 62.300 0.146 0.000 1.029 443 V CB 2.723 34.581 31.823 0.059 0.000 1.057 443 V HN -0.182 nan 8.190 nan 0.000 0.436 444 V N 5.884 126.034 119.914 0.394 0.000 2.380 444 V HA 0.526 4.648 4.120 0.004 0.000 0.286 444 V C 0.002 176.246 176.094 0.249 0.000 1.015 444 V CA -0.654 61.802 62.300 0.260 0.000 0.834 444 V CB 1.500 33.407 31.823 0.140 0.000 1.009 444 V HN 0.938 nan 8.190 nan 0.000 0.428 445 R N 3.804 124.418 120.500 0.190 0.000 2.486 445 R HA 0.792 5.135 4.340 0.004 0.000 0.286 445 R C -1.439 174.961 176.300 0.166 0.000 0.999 445 R CA -0.626 55.592 56.100 0.198 0.000 0.993 445 R CB 1.846 32.225 30.300 0.132 0.000 1.084 445 R HN 0.307 nan 8.270 nan 0.000 0.487 446 V N 4.190 124.225 119.914 0.203 0.000 2.305 446 V HA 0.127 4.250 4.120 0.004 0.000 0.275 446 V C 0.342 176.523 176.094 0.145 0.000 1.020 446 V CA -0.867 61.521 62.300 0.148 0.000 0.811 446 V CB 1.287 33.181 31.823 0.118 0.000 1.031 446 V HN 0.707 nan 8.190 nan 0.000 0.439 447 V N 1.972 121.961 119.914 0.124 0.000 3.178 447 V HA 0.147 4.270 4.120 0.004 0.000 0.306 447 V C 1.415 177.589 176.094 0.132 0.000 1.107 447 V CA 0.296 62.669 62.300 0.121 0.000 1.195 447 V CB 0.663 32.557 31.823 0.118 0.000 0.993 447 V HN 0.931 nan 8.190 nan 0.000 0.493 448 E N 1.267 121.541 120.200 0.124 0.000 2.046 448 E HA -0.048 4.305 4.350 0.004 0.000 0.190 448 E C 1.060 177.750 176.600 0.150 0.000 0.982 448 E CA 0.829 57.306 56.400 0.129 0.000 0.800 448 E CB 0.160 29.922 29.700 0.104 0.000 0.756 448 E HN 0.831 nan 8.360 nan 0.000 0.449 449 S N 0.346 116.126 115.700 0.133 0.000 2.560 449 S HA 0.063 4.535 4.470 0.004 0.000 0.284 449 S C -0.522 174.205 174.600 0.212 0.000 1.327 449 S CA -0.236 58.047 58.200 0.139 0.000 1.055 449 S CB 0.412 63.660 63.200 0.080 0.000 0.868 449 S HN 0.218 nan 8.310 nan 0.000 0.506 450 Y N 1.327 121.650 120.300 0.039 0.000 2.679 450 Y HA 0.246 4.798 4.550 0.004 0.000 0.331 450 Y C 0.130 176.041 175.900 0.019 0.000 1.183 450 Y CA -1.533 56.591 58.100 0.041 0.000 1.290 450 Y CB 0.482 38.943 38.460 0.002 0.000 1.489 450 Y HN 0.527 nan 8.280 nan 0.000 0.583 451 D N 2.796 122.886 120.400 -0.517 0.000 2.419 451 D HA -0.012 4.631 4.640 0.004 0.000 0.281 451 D C -0.428 175.778 176.300 -0.157 0.000 1.398 451 D CA 1.056 54.819 54.000 -0.394 0.000 1.047 451 D CB -0.428 40.020 40.800 -0.588 0.000 1.115 451 D HN 0.430 nan 8.370 nan 0.000 0.540 452 I N 1.784 122.322 120.570 -0.054 0.000 2.382 452 I HA 0.110 4.282 4.170 0.004 0.000 0.285 452 I C -0.907 175.222 176.117 0.020 0.000 1.007 452 I CA -0.918 60.386 61.300 0.006 0.000 1.142 452 I CB 0.932 38.971 38.000 0.065 0.000 1.289 452 I HN -0.083 nan 8.210 nan 0.000 0.453 453 D N 7.617 128.010 120.400 -0.012 0.000 2.348 453 D HA 0.597 5.240 4.640 0.004 0.000 0.253 453 D C -0.267 176.006 176.300 -0.045 0.000 1.161 453 D CA 0.205 54.195 54.000 -0.017 0.000 0.876 453 D CB 1.562 42.343 40.800 -0.030 0.000 1.160 453 D HN 0.677 nan 8.370 nan 0.000 0.459 454 A N 2.408 125.192 122.820 -0.059 0.000 2.572 454 A HA 0.891 5.213 4.320 0.004 0.000 0.295 454 A C -1.035 176.456 177.584 -0.156 0.000 1.072 454 A CA -1.009 50.901 52.037 -0.212 0.000 0.691 454 A CB 1.480 20.140 19.000 -0.567 0.000 1.291 454 A HN 0.452 nan 8.150 nan 0.000 0.404 455 R N -0.249 120.144 120.500 -0.178 0.000 2.633 455 R HA 0.634 4.976 4.340 0.004 0.000 0.255 455 R C -0.896 175.359 176.300 -0.075 0.000 1.106 455 R CA -0.266 55.782 56.100 -0.088 0.000 0.959 455 R CB 1.105 31.381 30.300 -0.039 0.000 1.259 455 R HN 1.140 nan 8.270 nan 0.000 0.453 456 M N -0.030 119.550 119.600 -0.034 0.000 2.501 456 M HA 0.918 5.401 4.480 0.004 0.000 0.293 456 M C 0.027 176.351 176.300 0.040 0.000 1.192 456 M CA 0.062 55.362 55.300 0.001 0.000 0.886 456 M CB 2.654 35.246 32.600 -0.012 0.000 1.710 456 M HN 0.846 nan 8.290 nan 0.000 0.457 457 G N 1.311 110.166 108.800 0.091 0.000 2.472 457 G HA2 0.076 4.038 3.960 0.004 0.000 0.205 457 G HA3 0.076 4.038 3.960 0.004 0.000 0.205 457 G C 0.291 175.313 174.900 0.203 0.000 1.270 457 G CA 0.053 45.235 45.100 0.137 0.000 0.974 457 G HN 1.659 nan 8.290 nan 0.000 0.542 458 A N -0.372 122.544 122.820 0.159 0.000 2.131 458 A HA 0.089 4.412 4.320 0.004 0.000 0.220 458 A C 2.005 179.660 177.584 0.119 0.000 1.158 458 A CA 2.480 54.611 52.037 0.157 0.000 0.665 458 A CB -0.480 18.485 19.000 -0.058 0.000 0.795 458 A HN 0.914 nan 8.150 nan 0.000 0.460 459 E N -0.119 120.125 120.200 0.074 0.000 2.106 459 E HA -0.103 4.250 4.350 0.004 0.000 0.192 459 E C 2.046 178.673 176.600 0.044 0.000 0.984 459 E CA 0.910 57.337 56.400 0.045 0.000 0.806 459 E CB -0.196 29.519 29.700 0.025 0.000 0.750 459 E HN 0.584 nan 8.360 nan 0.000 0.458 460 A N 0.771 123.623 122.820 0.055 0.000 1.968 460 A HA -0.074 4.249 4.320 0.004 0.000 0.217 460 A C 1.951 179.553 177.584 0.030 0.000 1.169 460 A CA 0.729 52.781 52.037 0.024 0.000 0.638 460 A CB -0.145 18.867 19.000 0.020 0.000 0.812 460 A HN 0.275 nan 8.150 nan 0.000 0.446 461 I N -0.436 120.188 120.570 0.090 0.000 2.852 461 I HA -0.110 4.063 4.170 0.004 0.000 0.264 461 I C 2.419 178.580 176.117 0.072 0.000 1.179 461 I CA 1.100 62.453 61.300 0.089 0.000 1.480 461 I CB -1.386 36.750 38.000 0.227 0.000 1.111 461 I HN 0.534 nan 8.210 nan 0.000 0.441 462 Q N 0.745 120.593 119.800 0.080 0.000 2.124 462 Q HA -0.233 4.110 4.340 0.004 0.000 0.202 462 Q C 2.209 178.215 176.000 0.009 0.000 0.977 462 Q CA 1.562 57.393 55.803 0.047 0.000 0.850 462 Q CB 0.213 28.983 28.738 0.054 0.000 0.901 462 Q HN 0.390 nan 8.270 nan 0.000 0.429 463 Q N 0.425 120.228 119.800 0.005 0.000 1.990 463 Q HA -0.116 4.227 4.340 0.004 0.000 0.200 463 Q C 2.278 178.257 176.000 -0.034 0.000 0.980 463 Q CA 1.140 56.934 55.803 -0.016 0.000 0.832 463 Q CB -0.529 28.197 28.738 -0.020 0.000 0.897 463 Q HN 0.447 nan 8.270 nan 0.000 0.427 464 L N 0.428 121.631 121.223 -0.034 0.000 2.021 464 L HA -0.242 4.101 4.340 0.004 0.000 0.215 464 L C 2.535 179.363 176.870 -0.071 0.000 1.074 464 L CA 1.038 55.848 54.840 -0.050 0.000 0.760 464 L CB -0.478 41.553 42.059 -0.048 0.000 0.889 464 L HN 0.254 nan 8.230 nan 0.000 0.433 465 L N -0.346 120.833 121.223 -0.074 0.000 2.046 465 L HA -0.273 4.070 4.340 0.004 0.000 0.208 465 L C 2.659 179.431 176.870 -0.164 0.000 1.077 465 L CA 1.548 56.309 54.840 -0.131 0.000 0.747 465 L CB -0.184 41.797 42.059 -0.129 0.000 0.896 465 L HN 0.263 nan 8.230 nan 0.000 0.432 466 K N -0.253 120.076 120.400 -0.118 0.000 2.097 466 K HA -0.170 4.153 4.320 0.004 0.000 0.205 466 K C 1.643 178.184 176.600 -0.098 0.000 1.050 466 K CA 1.464 57.684 56.287 -0.112 0.000 0.938 466 K CB -0.049 32.419 32.500 -0.053 0.000 0.718 466 K HN 0.487 nan 8.250 nan 0.000 0.442 467 E N 0.846 120.998 120.200 -0.080 0.000 2.482 467 E HA 0.005 4.358 4.350 0.004 0.000 0.196 467 E C -0.074 176.480 176.600 -0.076 0.000 1.047 467 E CA 0.082 56.442 56.400 -0.066 0.000 0.869 467 E CB 0.001 29.669 29.700 -0.053 0.000 0.836 467 E HN 0.219 nan 8.360 nan 0.000 0.520 468 L N 1.820 122.982 121.223 -0.102 0.000 2.290 468 L HA 0.217 4.560 4.340 0.004 0.000 0.284 468 L C 0.203 177.011 176.870 -0.103 0.000 1.078 468 L CA -0.466 54.313 54.840 -0.101 0.000 0.815 468 L CB 0.593 42.577 42.059 -0.124 0.000 1.162 468 L HN -0.127 nan 8.230 nan 0.000 0.435 469 D N 3.972 124.327 120.400 -0.075 0.000 2.499 469 D HA 0.209 4.851 4.640 0.004 0.000 0.225 469 D C 1.329 177.594 176.300 -0.059 0.000 1.124 469 D CA -0.307 53.654 54.000 -0.064 0.000 0.938 469 D CB 0.911 41.684 40.800 -0.044 0.000 1.014 469 D HN 0.439 nan 8.370 nan 0.000 0.517 470 L N 2.113 123.292 121.223 -0.074 0.000 2.085 470 L HA -0.289 4.053 4.340 0.004 0.000 0.218 470 L C 2.085 178.940 176.870 -0.026 0.000 1.080 470 L CA 1.193 55.999 54.840 -0.056 0.000 0.776 470 L CB -0.882 41.140 42.059 -0.062 0.000 0.891 470 L HN 0.283 nan 8.230 nan 0.000 0.437 471 E N 1.664 121.852 120.200 -0.021 0.000 2.049 471 E HA -0.268 4.085 4.350 0.004 0.000 0.198 471 E C 2.373 178.966 176.600 -0.012 0.000 1.007 471 E CA 1.646 58.040 56.400 -0.010 0.000 0.809 471 E CB -0.650 29.045 29.700 -0.008 0.000 0.749 471 E HN 0.568 nan 8.360 nan 0.000 0.450 472 A N 1.630 124.438 122.820 -0.020 0.000 1.873 472 A HA -0.181 4.141 4.320 0.004 0.000 0.218 472 A C 2.426 179.996 177.584 -0.022 0.000 1.193 472 A CA 1.794 53.818 52.037 -0.022 0.000 0.629 472 A CB -0.863 18.122 19.000 -0.026 0.000 0.826 472 A HN 0.180 nan 8.150 nan 0.000 0.447 473 L N -0.206 121.002 121.223 -0.025 0.000 2.131 473 L HA -0.165 4.178 4.340 0.004 0.000 0.210 473 L C 2.478 179.340 176.870 -0.013 0.000 1.092 473 L CA 1.976 56.803 54.840 -0.022 0.000 0.759 473 L CB -0.495 41.548 42.059 -0.027 0.000 0.903 473 L HN 0.574 nan 8.230 nan 0.000 0.435 474 E N 0.121 120.317 120.200 -0.007 0.000 2.031 474 E HA -0.263 4.089 4.350 0.004 0.000 0.193 474 E C 2.086 178.686 176.600 -0.001 0.000 0.994 474 E CA 1.421 57.824 56.400 0.004 0.000 0.800 474 E CB 0.119 29.826 29.700 0.011 0.000 0.752 474 E HN 0.477 nan 8.360 nan 0.000 0.447 475 K N 0.677 121.072 120.400 -0.007 0.000 2.001 475 K HA -0.223 4.099 4.320 0.004 0.000 0.214 475 K C 2.283 178.865 176.600 -0.030 0.000 1.050 475 K CA 1.859 58.136 56.287 -0.015 0.000 0.934 475 K CB -0.303 32.186 32.500 -0.018 0.000 0.718 475 K HN 0.102 nan 8.250 nan 0.000 0.443 476 E N 0.981 121.163 120.200 -0.031 0.000 2.086 476 E HA -0.222 4.130 4.350 0.004 0.000 0.200 476 E C 1.945 178.522 176.600 -0.039 0.000 1.012 476 E CA 1.447 57.823 56.400 -0.040 0.000 0.812 476 E CB -0.105 29.576 29.700 -0.032 0.000 0.743 476 E HN 0.204 nan 8.360 nan 0.000 0.453 477 L N 0.215 121.425 121.223 -0.022 0.000 2.093 477 L HA -0.197 4.146 4.340 0.004 0.000 0.208 477 L C 2.461 179.326 176.870 -0.008 0.000 1.085 477 L CA 0.667 55.501 54.840 -0.010 0.000 0.755 477 L CB -0.401 41.660 42.059 0.004 0.000 0.904 477 L HN 0.281 nan 8.230 nan 0.000 0.435 478 L N -0.495 120.722 121.223 -0.010 0.000 1.990 478 L HA -0.252 4.090 4.340 0.004 0.000 0.213 478 L C 2.821 179.673 176.870 -0.030 0.000 1.072 478 L CA 1.476 56.317 54.840 0.001 0.000 0.755 478 L CB -0.723 41.337 42.059 0.002 0.000 0.889 478 L HN 0.362 nan 8.230 nan 0.000 0.432 479 E N 0.007 120.130 120.200 -0.129 0.000 2.017 479 E HA -0.269 4.084 4.350 0.004 0.000 0.193 479 E C 1.955 178.424 176.600 -0.219 0.000 0.997 479 E CA 1.359 57.541 56.400 -0.363 0.000 0.804 479 E CB -0.298 29.200 29.700 -0.338 0.000 0.757 479 E HN 0.377 nan 8.360 nan 0.000 0.448 480 E N 1.083 121.226 120.200 -0.095 0.000 2.114 480 E HA -0.198 4.155 4.350 0.004 0.000 0.199 480 E C 2.066 178.689 176.600 0.037 0.000 1.008 480 E CA 1.328 57.716 56.400 -0.021 0.000 0.810 480 E CB -0.304 29.386 29.700 -0.016 0.000 0.739 480 E HN 0.189 nan 8.360 nan 0.000 0.456 481 M N -0.326 119.301 119.600 0.045 0.000 2.059 481 M HA -0.167 4.315 4.480 0.004 0.000 0.259 481 M C 2.040 178.408 176.300 0.114 0.000 1.072 481 M CA 1.760 57.101 55.300 0.068 0.000 1.117 481 M CB -0.045 32.590 32.600 0.059 0.000 1.320 481 M HN -0.024 nan 8.290 nan 0.000 0.408 482 K N -1.657 118.871 120.400 0.214 0.000 2.426 482 K HA -0.067 4.255 4.320 0.004 0.000 0.193 482 K C 1.166 177.879 176.600 0.188 0.000 1.028 482 K CA 0.474 56.882 56.287 0.201 0.000 1.047 482 K CB 0.262 32.870 32.500 0.180 0.000 0.821 482 K HN 0.442 nan 8.250 nan 0.000 0.513 483 H N -0.858 118.213 119.070 0.002 0.000 2.367 483 H HA 0.174 4.732 4.556 0.004 0.000 0.304 483 H C -1.534 173.794 175.328 -0.001 0.000 1.023 483 H CA -0.169 55.879 56.048 0.000 0.000 1.342 483 H CB -1.356 28.406 29.762 0.001 0.000 1.486 483 H HN 0.018 nan 8.280 nan 0.000 0.596 484 P HA 0.092 nan 4.420 nan 0.000 0.280 484 P C 0.095 177.419 177.300 0.040 0.000 1.278 484 P CA -0.017 63.122 63.100 0.066 0.000 0.787 484 P CB 0.560 32.288 31.700 0.047 0.000 1.163 485 S N -0.439 115.275 115.700 0.024 0.000 2.596 485 S HA 0.093 4.566 4.470 0.004 0.000 0.260 485 S C 1.345 175.953 174.600 0.014 0.000 1.336 485 S CA -0.367 57.841 58.200 0.013 0.000 0.993 485 S CB 0.108 63.313 63.200 0.008 0.000 0.923 485 S HN 0.279 nan 8.310 nan 0.000 0.567 486 R N 0.261 120.766 120.500 0.008 0.000 2.285 486 R HA -0.073 4.269 4.340 0.004 0.000 0.213 486 R C 2.124 178.428 176.300 0.008 0.000 1.068 486 R CA 0.852 56.957 56.100 0.008 0.000 1.004 486 R CB -0.478 29.824 30.300 0.003 0.000 0.873 486 R HN 0.694 nan 8.270 nan 0.000 0.467 487 A N 1.635 124.459 122.820 0.006 0.000 1.840 487 A HA -0.183 4.140 4.320 0.004 0.000 0.214 487 A C 1.994 179.581 177.584 0.006 0.000 1.198 487 A CA 1.248 53.288 52.037 0.004 0.000 0.608 487 A CB -0.226 18.775 19.000 0.002 0.000 0.839 487 A HN 0.355 nan 8.150 nan 0.000 0.443 488 R N -0.289 120.216 120.500 0.008 0.000 2.246 488 R HA 0.105 4.448 4.340 0.004 0.000 0.199 488 R C 2.072 178.380 176.300 0.012 0.000 0.984 488 R CA 0.773 56.877 56.100 0.007 0.000 1.015 488 R CB -0.331 29.973 30.300 0.005 0.000 0.930 488 R HN 0.578 nan 8.270 nan 0.000 0.475 489 R N 1.442 121.953 120.500 0.018 0.000 2.119 489 R HA 0.103 4.445 4.340 0.004 0.000 0.222 489 R C 1.932 178.246 176.300 0.023 0.000 1.088 489 R CA 1.181 57.296 56.100 0.026 0.000 0.984 489 R CB -0.227 30.094 30.300 0.036 0.000 0.884 489 R HN 0.215 nan 8.270 nan 0.000 0.447 490 A N 1.877 124.708 122.820 0.018 0.000 1.969 490 A HA -0.157 4.166 4.320 0.004 0.000 0.218 490 A C 2.127 179.720 177.584 0.016 0.000 1.169 490 A CA 1.513 53.560 52.037 0.017 0.000 0.635 490 A CB -0.409 18.598 19.000 0.012 0.000 0.810 490 A HN 0.478 nan 8.150 nan 0.000 0.445 491 K N -0.153 120.254 120.400 0.013 0.000 2.097 491 K HA 0.024 4.346 4.320 0.004 0.000 0.205 491 K C 2.006 178.613 176.600 0.013 0.000 1.050 491 K CA 1.181 57.474 56.287 0.011 0.000 0.938 491 K CB -0.331 32.172 32.500 0.005 0.000 0.718 491 K HN 0.297 nan 8.250 nan 0.000 0.442 492 A N 1.668 124.497 122.820 0.014 0.000 2.015 492 A HA -0.159 4.164 4.320 0.004 0.000 0.219 492 A C 2.008 179.605 177.584 0.022 0.000 1.163 492 A CA 1.568 53.614 52.037 0.015 0.000 0.646 492 A CB -0.484 18.524 19.000 0.013 0.000 0.806 492 A HN 0.538 nan 8.150 nan 0.000 0.448 493 R N 0.422 120.938 120.500 0.027 0.000 2.090 493 R HA 0.008 4.351 4.340 0.004 0.000 0.228 493 R C 1.905 178.225 176.300 0.035 0.000 1.110 493 R CA 1.944 58.064 56.100 0.034 0.000 0.973 493 R CB -0.519 29.803 30.300 0.036 0.000 0.869 493 R HN 0.337 nan 8.270 nan 0.000 0.440 494 K N 0.650 121.068 120.400 0.030 0.000 2.365 494 K HA -0.050 4.273 4.320 0.004 0.000 0.199 494 K C 1.831 178.449 176.600 0.031 0.000 1.045 494 K CA 0.945 57.251 56.287 0.031 0.000 0.962 494 K CB 0.028 32.544 32.500 0.027 0.000 0.759 494 K HN 0.305 nan 8.250 nan 0.000 0.469 495 R N 0.386 120.902 120.500 0.027 0.000 2.276 495 R HA 0.003 4.345 4.340 0.004 0.000 0.196 495 R C 1.851 178.170 176.300 0.032 0.000 0.961 495 R CA 0.165 56.281 56.100 0.026 0.000 1.024 495 R CB 0.151 30.461 30.300 0.016 0.000 0.940 495 R HN 0.120 nan 8.270 nan 0.000 0.480 496 L N 0.544 121.787 121.223 0.033 0.000 2.416 496 L HA 0.175 4.518 4.340 0.004 0.000 0.216 496 L C 1.512 178.407 176.870 0.043 0.000 1.098 496 L CA 1.370 56.233 54.840 0.037 0.000 0.840 496 L CB 0.149 42.230 42.059 0.036 0.000 0.981 496 L HN 0.081 nan 8.230 nan 0.000 0.462 497 E N -0.979 119.245 120.200 0.040 0.000 2.047 497 E HA -0.177 4.176 4.350 0.004 0.000 0.191 497 E C 2.128 178.740 176.600 0.019 0.000 0.987 497 E CA 1.570 57.989 56.400 0.032 0.000 0.799 497 E CB -0.032 29.687 29.700 0.031 0.000 0.752 497 E HN 0.339 nan 8.360 nan 0.000 0.449 498 V N 0.624 120.556 119.914 0.031 0.000 2.295 498 V HA -0.242 3.880 4.120 0.004 0.000 0.246 498 V C 2.315 178.499 176.094 0.150 0.000 1.049 498 V CA 1.382 63.706 62.300 0.039 0.000 1.024 498 V CB -0.322 31.554 31.823 0.089 0.000 0.648 498 V HN 0.157 nan 8.190 nan 0.000 0.447 499 V N -0.282 119.720 119.914 0.146 0.000 2.332 499 V HA -0.236 3.886 4.120 0.004 0.000 0.248 499 V C 2.677 178.852 176.094 0.135 0.000 1.055 499 V CA 1.737 64.132 62.300 0.158 0.000 1.038 499 V CB -0.838 31.028 31.823 0.071 0.000 0.651 499 V HN 0.422 nan 8.190 nan 0.000 0.450 500 R N 0.597 121.143 120.500 0.077 0.000 2.126 500 R HA -0.136 4.206 4.340 0.004 0.000 0.224 500 R C 2.529 178.853 176.300 0.039 0.000 1.128 500 R CA 1.891 58.023 56.100 0.053 0.000 0.895 500 R CB -1.557 28.765 30.300 0.036 0.000 0.817 500 R HN 0.483 nan 8.270 nan 0.000 0.435 501 A N 0.650 123.458 122.820 -0.021 0.000 1.985 501 A HA -0.249 4.073 4.320 0.004 0.000 0.223 501 A C 2.352 179.860 177.584 -0.127 0.000 1.189 501 A CA 1.991 53.964 52.037 -0.106 0.000 0.658 501 A CB -0.959 17.918 19.000 -0.206 0.000 0.820 501 A HN 0.340 nan 8.150 nan 0.000 0.464 502 F N -0.646 119.281 119.950 -0.038 0.000 2.039 502 F HA -0.126 4.403 4.527 0.004 0.000 0.294 502 F C 2.314 178.095 175.800 -0.031 0.000 1.130 502 F CA 1.592 59.560 58.000 -0.053 0.000 1.189 502 F CB -0.396 38.550 39.000 -0.089 0.000 0.983 502 F HN 0.114 nan 8.300 nan 0.000 0.471 503 L N -0.252 121.092 121.223 0.202 0.000 2.013 503 L HA -0.296 4.046 4.340 0.004 0.000 0.212 503 L C 2.034 178.951 176.870 0.079 0.000 1.073 503 L CA 1.486 56.390 54.840 0.107 0.000 0.753 503 L CB -0.665 41.437 42.059 0.072 0.000 0.890 503 L HN 0.150 nan 8.230 nan 0.000 0.432 504 D N -0.249 120.187 120.400 0.061 0.000 2.182 504 D HA -0.186 4.456 4.640 0.004 0.000 0.193 504 D C 2.260 178.582 176.300 0.038 0.000 0.999 504 D CA 1.978 56.000 54.000 0.038 0.000 0.850 504 D CB -0.075 40.736 40.800 0.018 0.000 0.994 504 D HN 0.146 nan 8.370 nan 0.000 0.450 505 S N -1.160 114.557 115.700 0.028 0.000 2.423 505 S HA 0.196 4.668 4.470 0.004 0.000 0.231 505 S C 1.563 176.201 174.600 0.063 0.000 1.014 505 S CA 1.003 59.223 58.200 0.033 0.000 0.965 505 S CB 0.371 63.572 63.200 0.003 0.000 0.785 505 S HN 0.592 nan 8.310 nan 0.000 0.495 506 G N 2.194 111.046 108.800 0.088 0.000 2.780 506 G HA2 -0.230 3.733 3.960 0.004 0.000 0.237 506 G HA3 -0.230 3.733 3.960 0.004 0.000 0.237 506 G C -0.421 174.581 174.900 0.170 0.000 1.965 506 G CA -0.397 44.771 45.100 0.113 0.000 1.577 506 G HN 0.342 nan 8.290 nan 0.000 0.543 507 N N 2.775 121.592 118.700 0.195 0.000 1.819 507 N HA -0.066 4.677 4.740 0.004 0.000 0.306 507 N C 0.750 176.467 175.510 0.344 0.000 1.336 507 N CA 0.939 54.166 53.050 0.297 0.000 0.875 507 N CB 0.026 38.671 38.487 0.263 0.000 1.195 507 N HN 0.484 nan 8.380 nan 0.000 0.493 508 R N 3.029 123.682 120.500 0.255 0.000 2.738 508 R HA 0.046 4.388 4.340 0.004 0.000 0.268 508 R C -1.071 174.815 176.300 -0.689 0.000 1.062 508 R CA -1.048 54.956 56.100 -0.161 0.000 1.158 508 R CB 0.364 30.523 30.300 -0.234 0.000 1.046 508 R HN 0.407 nan 8.270 nan 0.000 0.493 509 P HA 0.002 nan 4.420 nan 0.000 0.245 509 P C -0.325 176.382 177.300 -0.989 0.000 1.212 509 P CA 0.752 63.023 63.100 -1.381 0.000 0.774 509 P CB 0.380 30.831 31.700 -2.082 0.000 0.999 510 E N -0.807 118.582 120.200 -1.352 0.000 2.481 510 E HA -0.053 4.299 4.350 0.004 0.000 0.195 510 E C 0.971 177.368 176.600 -0.339 0.000 1.047 510 E CA 0.762 56.627 56.400 -0.892 0.000 0.867 510 E CB -0.685 28.437 29.700 -0.963 0.000 0.858 510 E HN 0.547 nan 8.360 nan 0.000 0.513 511 W N -0.385 120.902 121.300 -0.021 0.000 3.256 511 W HA 0.192 4.855 4.660 0.004 0.000 0.269 511 W C 1.499 178.092 176.519 0.123 0.000 1.310 511 W CA -0.511 56.861 57.345 0.046 0.000 1.673 511 W CB -0.098 29.398 29.460 0.061 0.000 1.115 511 W HN 0.013 nan 8.180 nan 0.000 0.686 512 M N 0.908 120.616 119.600 0.180 0.000 2.358 512 M HA -0.051 4.431 4.480 0.004 0.000 0.264 512 M C 0.669 177.183 176.300 0.356 0.000 1.064 512 M CA 1.185 56.656 55.300 0.284 0.000 1.093 512 M CB -0.628 32.017 32.600 0.076 0.000 1.401 512 M HN 0.006 nan 8.290 nan 0.000 0.440 513 I N -0.904 119.803 120.570 0.228 0.000 2.428 513 I HA 0.327 4.500 4.170 0.004 0.000 0.289 513 I C -0.618 175.593 176.117 0.158 0.000 1.019 513 I CA -0.476 60.922 61.300 0.164 0.000 1.351 513 I CB 0.419 38.487 38.000 0.114 0.000 1.412 513 I HN -0.089 nan 8.210 nan 0.000 0.513 514 L N 5.757 127.032 121.223 0.086 0.000 2.272 514 L HA 0.451 4.794 4.340 0.004 0.000 0.289 514 L C 0.948 177.829 176.870 0.018 0.000 1.032 514 L CA 0.048 54.920 54.840 0.054 0.000 0.810 514 L CB 1.172 43.226 42.059 -0.009 0.000 1.205 514 L HN 0.906 nan 8.230 nan 0.000 0.422 515 E N 2.307 122.522 120.200 0.026 0.000 2.571 515 E HA 0.321 4.674 4.350 0.004 0.000 0.222 515 E C -0.027 176.577 176.600 0.006 0.000 0.904 515 E CA -0.242 56.165 56.400 0.011 0.000 1.157 515 E CB 1.059 30.773 29.700 0.023 0.000 1.158 515 E HN 0.460 nan 8.360 nan 0.000 0.540 516 A N 1.491 124.316 122.820 0.008 0.000 2.357 516 A HA 0.533 4.855 4.320 0.004 0.000 0.295 516 A C -0.729 176.868 177.584 0.022 0.000 1.121 516 A CA -0.652 51.397 52.037 0.019 0.000 0.742 516 A CB 1.575 20.580 19.000 0.009 0.000 1.181 516 A HN 0.072 nan 8.150 nan 0.000 0.454 517 V N 3.627 123.563 119.914 0.037 0.000 2.348 517 V HA 0.324 4.446 4.120 0.004 0.000 0.270 517 V C -2.444 173.729 176.094 0.131 0.000 1.037 517 V CA -1.753 60.578 62.300 0.051 0.000 0.872 517 V CB 1.008 32.847 31.823 0.026 0.000 1.002 517 V HN 0.712 nan 8.190 nan 0.000 0.464 518 P HA 0.173 nan 4.420 nan 0.000 0.271 518 P C -0.503 176.975 177.300 0.297 0.000 1.220 518 P CA -0.008 63.242 63.100 0.250 0.000 0.768 518 P CB 0.723 32.638 31.700 0.358 0.000 0.848 519 V N 4.746 124.826 119.914 0.276 0.000 2.364 519 V HA 0.160 4.283 4.120 0.004 0.000 0.272 519 V C 0.581 176.719 176.094 0.073 0.000 1.036 519 V CA -0.896 61.489 62.300 0.141 0.000 0.880 519 V CB 0.670 32.516 31.823 0.038 0.000 0.991 519 V HN 0.409 nan 8.190 nan 0.000 0.460 520 L N 8.364 129.584 121.223 -0.004 0.000 2.506 520 L HA 0.296 4.639 4.340 0.004 0.000 0.281 520 L C -2.054 174.688 176.870 -0.214 0.000 1.228 520 L CA -0.401 54.412 54.840 -0.046 0.000 0.850 520 L CB 0.047 42.096 42.059 -0.017 0.000 1.110 520 L HN 0.436 nan 8.230 nan 0.000 0.496 521 P HA 0.004 nan 4.420 nan 0.000 0.271 521 P C -2.257 174.709 177.300 -0.558 0.000 1.228 521 P CA -0.410 62.546 63.100 -0.240 0.000 0.797 521 P CB 0.048 31.714 31.700 -0.057 0.000 0.914 522 P HA -0.098 nan 4.420 nan 0.000 0.213 522 P C 0.866 177.944 177.300 -0.370 0.000 1.169 522 P CA 1.405 63.963 63.100 -0.903 0.000 0.885 522 P CB -0.079 31.112 31.700 -0.849 0.000 0.779 523 D N -0.587 119.706 120.400 -0.178 0.000 2.149 523 D HA -0.130 4.512 4.640 0.004 0.000 0.198 523 D C 1.927 178.196 176.300 -0.051 0.000 0.990 523 D CA 1.071 55.037 54.000 -0.056 0.000 0.839 523 D CB -0.653 40.120 40.800 -0.044 0.000 0.948 523 D HN 0.012 nan 8.370 nan 0.000 0.460 524 L N 1.157 122.331 121.223 -0.081 0.000 1.924 524 L HA -0.177 4.165 4.340 0.004 0.000 0.222 524 L C 1.470 178.312 176.870 -0.048 0.000 1.081 524 L CA 1.386 56.191 54.840 -0.057 0.000 0.780 524 L CB -0.746 41.272 42.059 -0.069 0.000 0.891 524 L HN 0.077 nan 8.230 nan 0.000 0.434 525 R N 1.703 122.158 120.500 -0.075 0.000 2.605 525 R HA 0.114 4.457 4.340 0.004 0.000 0.271 525 R C -2.606 173.719 176.300 0.041 0.000 1.418 525 R CA -1.790 54.297 56.100 -0.021 0.000 1.102 525 R CB -1.128 29.157 30.300 -0.025 0.000 1.131 525 R HN 0.143 nan 8.270 nan 0.000 0.554 526 P HA -0.100 nan 4.420 nan 0.000 0.256 526 P C -0.469 176.881 177.300 0.082 0.000 1.173 526 P CA 0.169 63.304 63.100 0.058 0.000 0.768 526 P CB 0.238 31.941 31.700 0.005 0.000 0.758 527 M N 5.975 125.640 119.600 0.108 0.000 2.495 527 M HA 0.257 4.740 4.480 0.004 0.000 0.346 527 M C -1.419 174.769 176.300 -0.187 0.000 1.251 527 M CA -0.474 54.796 55.300 -0.049 0.000 1.249 527 M CB -0.217 32.178 32.600 -0.340 0.000 1.229 527 M HN -0.021 nan 8.290 nan 0.000 0.450 528 V N 2.757 122.518 119.914 -0.256 0.000 2.919 528 V HA 0.470 4.592 4.120 0.004 0.000 0.316 528 V C -0.340 175.294 176.094 -0.767 0.000 1.077 528 V CA -0.942 61.121 62.300 -0.395 0.000 0.977 528 V CB 2.127 33.824 31.823 -0.210 0.000 1.039 528 V HN 0.625 nan 8.190 nan 0.000 0.441 529 Q N 0.853 120.179 119.800 -0.790 0.000 2.294 529 Q HA 0.435 4.777 4.340 0.004 0.000 0.257 529 Q C -0.200 175.612 176.000 -0.313 0.000 0.955 529 Q CA -0.207 55.120 55.803 -0.793 0.000 0.936 529 Q CB 1.490 29.932 28.738 -0.493 0.000 1.188 529 Q HN 0.631 nan 8.270 nan 0.000 0.420 530 V N 2.758 122.567 119.914 -0.175 0.000 2.943 530 V HA 0.237 4.359 4.120 0.004 0.000 0.211 530 V C -0.088 175.999 176.094 -0.012 0.000 1.187 530 V CA 0.316 62.578 62.300 -0.063 0.000 1.278 530 V CB 0.254 32.068 31.823 -0.016 0.000 1.008 530 V HN 0.730 nan 8.190 nan 0.000 0.509 531 D N -1.700 118.718 120.400 0.030 0.000 2.879 531 D HA 0.514 5.157 4.640 0.004 0.000 0.236 531 D C 0.654 176.988 176.300 0.056 0.000 1.171 531 D CA 0.583 54.603 54.000 0.033 0.000 0.868 531 D CB 1.722 42.534 40.800 0.020 0.000 1.598 531 D HN 0.549 nan 8.370 nan 0.000 0.497 532 G N 1.764 110.594 108.800 0.051 0.000 2.284 532 G HA2 -0.256 3.706 3.960 0.004 0.000 0.268 532 G HA3 -0.256 3.706 3.960 0.004 0.000 0.268 532 G C 0.965 175.911 174.900 0.077 0.000 0.980 532 G CA 0.994 46.125 45.100 0.052 0.000 0.631 532 G HN 1.437 nan 8.290 nan 0.000 0.548 533 G N -1.597 107.279 108.800 0.126 0.000 2.870 533 G HA2 -0.008 3.954 3.960 0.004 0.000 0.216 533 G HA3 -0.008 3.954 3.960 0.004 0.000 0.216 533 G C 0.203 175.265 174.900 0.271 0.000 0.973 533 G CA 0.490 45.701 45.100 0.185 0.000 0.807 533 G HN 0.731 nan 8.290 nan 0.000 0.573 534 R N -0.164 120.467 120.500 0.219 0.000 2.537 534 R HA 0.515 4.857 4.340 0.004 0.000 0.280 534 R C -0.895 175.649 176.300 0.407 0.000 1.058 534 R CA 0.280 56.515 56.100 0.225 0.000 1.057 534 R CB 0.250 30.618 30.300 0.113 0.000 0.973 534 R HN 0.039 nan 8.270 nan 0.000 0.438 535 F N 0.952 120.891 119.950 -0.018 0.000 2.493 535 F HA 0.466 4.996 4.527 0.004 0.000 0.329 535 F C 0.006 175.793 175.800 -0.023 0.000 1.126 535 F CA -1.116 56.867 58.000 -0.027 0.000 0.937 535 F CB 2.013 40.987 39.000 -0.043 0.000 1.146 535 F HN 0.505 nan 8.300 nan 0.000 0.442 536 A N 2.160 124.995 122.820 0.025 0.000 2.303 536 A HA 0.696 5.018 4.320 0.004 0.000 0.320 536 A C -0.260 177.332 177.584 0.014 0.000 1.192 536 A CA -0.487 51.563 52.037 0.022 0.000 0.821 536 A CB 0.842 19.837 19.000 -0.009 0.000 1.188 536 A HN 0.711 nan 8.150 nan 0.000 0.492 537 T N 0.181 114.765 114.554 0.049 0.000 2.863 537 T HA 0.554 4.907 4.350 0.004 0.000 0.285 537 T C 0.120 174.861 174.700 0.068 0.000 1.009 537 T CA -0.219 61.923 62.100 0.069 0.000 0.989 537 T CB 1.369 70.295 68.868 0.097 0.000 1.004 537 T HN 0.989 nan 8.240 nan 0.000 0.455 538 S N 2.394 118.137 115.700 0.072 0.000 2.544 538 S HA 0.060 4.533 4.470 0.004 0.000 0.290 538 S C 0.999 175.642 174.600 0.072 0.000 1.276 538 S CA -0.203 58.032 58.200 0.058 0.000 1.075 538 S CB -0.415 62.813 63.200 0.048 0.000 0.849 538 S HN 0.768 nan 8.310 nan 0.000 0.494 539 D N 4.217 124.650 120.400 0.055 0.000 2.311 539 D HA -0.170 4.472 4.640 0.004 0.000 0.204 539 D C 1.613 177.954 176.300 0.069 0.000 1.000 539 D CA 1.178 55.210 54.000 0.053 0.000 0.910 539 D CB -0.212 40.608 40.800 0.034 0.000 0.900 539 D HN 0.589 nan 8.370 nan 0.000 0.463 540 L N 0.524 121.800 121.223 0.088 0.000 2.081 540 L HA -0.215 4.127 4.340 0.004 0.000 0.212 540 L C 2.104 179.134 176.870 0.267 0.000 1.080 540 L CA 1.063 55.989 54.840 0.144 0.000 0.754 540 L CB -0.348 41.823 42.059 0.185 0.000 0.893 540 L HN 0.100 nan 8.230 nan 0.000 0.433 541 N N -0.422 118.409 118.700 0.219 0.000 2.188 541 N HA -0.175 4.567 4.740 0.004 0.000 0.184 541 N C 1.409 177.031 175.510 0.187 0.000 1.018 541 N CA 1.313 54.503 53.050 0.234 0.000 0.858 541 N CB -0.279 38.328 38.487 0.201 0.000 0.989 541 N HN 0.337 nan 8.380 nan 0.000 0.426 542 D N 1.027 121.498 120.400 0.119 0.000 2.144 542 D HA -0.038 4.604 4.640 0.004 0.000 0.199 542 D C 2.150 178.482 176.300 0.055 0.000 0.984 542 D CA 0.508 54.552 54.000 0.074 0.000 0.834 542 D CB -0.126 40.702 40.800 0.047 0.000 0.955 542 D HN 0.238 nan 8.370 nan 0.000 0.465 543 L N -0.850 120.393 121.223 0.033 0.000 2.109 543 L HA -0.126 4.217 4.340 0.004 0.000 0.207 543 L C 2.213 179.028 176.870 -0.092 0.000 1.086 543 L CA 0.652 55.461 54.840 -0.052 0.000 0.760 543 L CB -0.421 41.567 42.059 -0.118 0.000 0.910 543 L HN 0.037 nan 8.230 nan 0.000 0.437 544 Y N 0.742 121.038 120.300 -0.006 0.000 2.224 544 Y HA -0.177 4.375 4.550 0.004 0.000 0.289 544 Y C 2.830 178.733 175.900 0.004 0.000 1.146 544 Y CA 1.299 59.396 58.100 -0.006 0.000 1.182 544 Y CB -0.210 38.248 38.460 -0.002 0.000 0.983 544 Y HN 0.025 nan 8.280 nan 0.000 0.524 545 R N -0.441 120.164 120.500 0.174 0.000 2.073 545 R HA -0.172 4.170 4.340 0.004 0.000 0.234 545 R C 2.350 178.682 176.300 0.053 0.000 1.134 545 R CA 1.318 57.480 56.100 0.104 0.000 0.952 545 R CB -0.391 29.956 30.300 0.077 0.000 0.850 545 R HN 0.289 nan 8.270 nan 0.000 0.433 546 R N 0.699 121.215 120.500 0.025 0.000 2.143 546 R HA -0.225 4.118 4.340 0.004 0.000 0.239 546 R C 2.390 178.681 176.300 -0.015 0.000 1.126 546 R CA 1.945 58.042 56.100 -0.005 0.000 0.927 546 R CB -0.820 29.463 30.300 -0.028 0.000 0.860 546 R HN 0.123 nan 8.270 nan 0.000 0.433 547 L N 1.457 122.657 121.223 -0.039 0.000 1.971 547 L HA -0.238 4.104 4.340 0.004 0.000 0.215 547 L C 2.236 179.102 176.870 -0.006 0.000 1.072 547 L CA 1.845 56.657 54.840 -0.047 0.000 0.758 547 L CB -0.769 41.233 42.059 -0.094 0.000 0.889 547 L HN 0.201 nan 8.230 nan 0.000 0.433 548 I N -0.060 120.531 120.570 0.035 0.000 2.113 548 I HA -0.392 3.780 4.170 0.004 0.000 0.242 548 I C 2.378 178.508 176.117 0.021 0.000 1.064 548 I CA 2.167 63.492 61.300 0.042 0.000 1.320 548 I CB -1.637 36.406 38.000 0.072 0.000 1.028 548 I HN 0.493 nan 8.210 nan 0.000 0.406 549 N N 0.153 118.865 118.700 0.020 0.000 2.036 549 N HA -0.249 4.494 4.740 0.004 0.000 0.195 549 N C 2.017 177.527 175.510 0.001 0.000 1.037 549 N CA 1.399 54.456 53.050 0.010 0.000 0.855 549 N CB -0.059 38.433 38.487 0.009 0.000 1.033 549 N HN 0.152 nan 8.380 nan 0.000 0.423 550 R N 1.354 121.850 120.500 -0.006 0.000 2.073 550 R HA -0.069 4.274 4.340 0.004 0.000 0.234 550 R C 1.791 178.082 176.300 -0.015 0.000 1.134 550 R CA 1.301 57.393 56.100 -0.013 0.000 0.952 550 R CB -0.871 29.415 30.300 -0.023 0.000 0.850 550 R HN 0.236 nan 8.270 nan 0.000 0.433 551 N N 0.171 118.861 118.700 -0.017 0.000 2.069 551 N HA -0.159 4.583 4.740 0.004 0.000 0.191 551 N C 1.238 176.741 175.510 -0.011 0.000 1.031 551 N CA 1.970 55.010 53.050 -0.018 0.000 0.852 551 N CB -0.382 38.094 38.487 -0.018 0.000 1.018 551 N HN 0.236 nan 8.380 nan 0.000 0.423 552 N N 0.080 118.776 118.700 -0.006 0.000 2.013 552 N HA -0.089 4.653 4.740 0.004 0.000 0.195 552 N C 1.687 177.194 175.510 -0.004 0.000 1.051 552 N CA 1.119 54.167 53.050 -0.004 0.000 0.851 552 N CB -0.213 38.275 38.487 0.001 0.000 1.044 552 N HN 0.177 nan 8.380 nan 0.000 0.422 553 R N 0.149 120.647 120.500 -0.004 0.000 2.133 553 R HA -0.168 4.175 4.340 0.004 0.000 0.247 553 R C 1.995 178.292 176.300 -0.005 0.000 1.151 553 R CA 1.069 57.166 56.100 -0.004 0.000 0.971 553 R CB -0.467 29.830 30.300 -0.004 0.000 0.866 553 R HN 0.223 nan 8.270 nan 0.000 0.447 554 L N 1.312 122.530 121.223 -0.008 0.000 2.027 554 L HA -0.164 4.179 4.340 0.004 0.000 0.206 554 L C 1.882 178.748 176.870 -0.006 0.000 1.074 554 L CA 1.841 56.676 54.840 -0.008 0.000 0.745 554 L CB -0.243 41.808 42.059 -0.014 0.000 0.898 554 L HN 0.005 nan 8.230 nan 0.000 0.433 555 K N -0.408 119.988 120.400 -0.007 0.000 2.074 555 K HA -0.236 4.087 4.320 0.004 0.000 0.209 555 K C 2.080 178.678 176.600 -0.003 0.000 1.048 555 K CA 2.028 58.312 56.287 -0.005 0.000 0.926 555 K CB -0.217 32.279 32.500 -0.006 0.000 0.713 555 K HN 0.353 nan 8.250 nan 0.000 0.444 556 K N 0.697 121.096 120.400 -0.003 0.000 2.062 556 K HA -0.047 4.275 4.320 0.004 0.000 0.205 556 K C 2.026 178.626 176.600 -0.000 0.000 1.051 556 K CA 0.955 57.241 56.287 -0.001 0.000 0.941 556 K CB -0.066 32.433 32.500 -0.001 0.000 0.719 556 K HN 0.069 nan 8.250 nan 0.000 0.440 557 L N 1.028 122.250 121.223 -0.001 0.000 2.376 557 L HA -0.091 4.251 4.340 0.004 0.000 0.219 557 L C 1.904 178.774 176.870 0.001 0.000 1.133 557 L CA 0.652 55.492 54.840 0.000 0.000 0.816 557 L CB -0.215 41.844 42.059 -0.001 0.000 0.933 557 L HN 0.161 nan 8.230 nan 0.000 0.449 558 L N -1.321 119.903 121.223 0.001 0.000 2.298 558 L HA 0.102 4.445 4.340 0.004 0.000 0.209 558 L C 2.638 179.510 176.870 0.004 0.000 1.084 558 L CA 0.605 55.447 54.840 0.003 0.000 0.816 558 L CB -0.550 41.510 42.059 0.002 0.000 0.967 558 L HN 0.126 nan 8.230 nan 0.000 0.460 559 A N -0.481 122.341 122.820 0.002 0.000 1.975 559 A HA -0.076 4.247 4.320 0.004 0.000 0.215 559 A C 2.237 179.823 177.584 0.003 0.000 1.170 559 A CA 0.590 52.628 52.037 0.003 0.000 0.656 559 A CB -0.126 18.875 19.000 0.001 0.000 0.821 559 A HN 0.349 nan 8.150 nan 0.000 0.449 560 Q N -0.684 119.117 119.800 0.003 0.000 1.990 560 Q HA 0.183 4.525 4.340 0.004 0.000 0.200 560 Q C 0.812 176.814 176.000 0.005 0.000 0.980 560 Q CA 1.101 56.906 55.803 0.003 0.000 0.832 560 Q CB -0.077 28.663 28.738 0.002 0.000 0.897 560 Q HN 0.624 nan 8.270 nan 0.000 0.427 561 G N -1.194 107.609 108.800 0.005 0.000 2.473 561 G HA2 0.475 4.438 3.960 0.004 0.000 0.298 561 G HA3 0.475 4.438 3.960 0.004 0.000 0.298 561 G C -2.002 172.902 174.900 0.007 0.000 1.575 561 G CA -0.204 44.900 45.100 0.007 0.000 0.846 561 G HN 0.202 nan 8.290 nan 0.000 0.585 562 A N 2.522 125.347 122.820 0.009 0.000 2.431 562 A HA 0.822 5.144 4.320 0.004 0.000 0.318 562 A C -2.348 175.243 177.584 0.010 0.000 1.330 562 A CA -1.363 50.680 52.037 0.009 0.000 0.804 562 A CB 0.985 19.991 19.000 0.011 0.000 1.135 562 A HN 0.518 nan 8.150 nan 0.000 0.483 563 P HA 0.209 nan 4.420 nan 0.000 0.291 563 P C 0.580 177.885 177.300 0.008 0.000 1.340 563 P CA -0.168 62.937 63.100 0.009 0.000 0.799 563 P CB 1.409 33.112 31.700 0.006 0.000 0.917 564 E N 2.143 122.350 120.200 0.011 0.000 2.164 564 E HA -0.255 4.098 4.350 0.004 0.000 0.233 564 E C 1.761 178.362 176.600 0.002 0.000 1.073 564 E CA 1.899 58.304 56.400 0.009 0.000 0.941 564 E CB -0.652 29.055 29.700 0.011 0.000 0.820 564 E HN 0.495 nan 8.360 nan 0.000 0.486 565 I N 0.905 121.475 120.570 0.000 0.000 2.143 565 I HA -0.299 3.874 4.170 0.004 0.000 0.245 565 I C 2.517 178.633 176.117 -0.001 0.000 1.068 565 I CA 1.505 62.804 61.300 -0.003 0.000 1.326 565 I CB -0.616 37.384 38.000 -0.001 0.000 1.028 565 I HN 0.126 nan 8.210 nan 0.000 0.412 566 I N -0.174 120.396 120.570 0.002 0.000 2.761 566 I HA -0.153 4.020 4.170 0.004 0.000 0.261 566 I C 2.274 178.392 176.117 0.001 0.000 1.198 566 I CA 1.001 62.302 61.300 0.002 0.000 1.482 566 I CB -0.404 37.597 38.000 0.002 0.000 1.100 566 I HN 0.195 nan 8.210 nan 0.000 0.445 567 I N 0.460 121.031 120.570 0.001 0.000 2.233 567 I HA -0.197 3.975 4.170 0.004 0.000 0.243 567 I C 2.767 178.883 176.117 -0.002 0.000 1.093 567 I CA 0.938 62.238 61.300 0.000 0.000 1.380 567 I CB -0.458 37.544 38.000 0.004 0.000 1.067 567 I HN 0.100 nan 8.210 nan 0.000 0.413 568 R N 1.916 122.414 120.500 -0.004 0.000 2.082 568 R HA -0.172 4.170 4.340 0.004 0.000 0.234 568 R C 1.965 178.266 176.300 0.001 0.000 1.136 568 R CA 2.001 58.098 56.100 -0.006 0.000 0.935 568 R CB -0.915 29.375 30.300 -0.017 0.000 0.842 568 R HN 0.264 nan 8.270 nan 0.000 0.430 569 N N -0.140 118.563 118.700 0.004 0.000 2.133 569 N HA -0.207 4.536 4.740 0.004 0.000 0.193 569 N C 1.413 176.929 175.510 0.008 0.000 1.012 569 N CA 1.791 54.847 53.050 0.011 0.000 0.871 569 N CB -0.142 38.351 38.487 0.010 0.000 1.011 569 N HN 0.271 nan 8.380 nan 0.000 0.435 570 E N 0.502 120.702 120.200 0.000 0.000 2.042 570 E HA 0.019 4.371 4.350 0.004 0.000 0.189 570 E C 1.471 178.060 176.600 -0.017 0.000 0.974 570 E CA 0.933 57.329 56.400 -0.006 0.000 0.806 570 E CB 0.074 29.769 29.700 -0.007 0.000 0.769 570 E HN 0.120 nan 8.360 nan 0.000 0.451 571 K N 0.700 121.087 120.400 -0.021 0.000 2.127 571 K HA -0.185 4.138 4.320 0.004 0.000 0.208 571 K C 2.140 178.703 176.600 -0.061 0.000 1.047 571 K CA 1.209 57.472 56.287 -0.040 0.000 0.927 571 K CB -0.331 32.151 32.500 -0.030 0.000 0.716 571 K HN 0.159 nan 8.250 nan 0.000 0.450 572 R N 0.509 120.992 120.500 -0.027 0.000 2.075 572 R HA -0.041 4.301 4.340 0.004 0.000 0.230 572 R C 2.614 178.904 176.300 -0.017 0.000 1.140 572 R CA 1.872 57.967 56.100 -0.008 0.000 0.928 572 R CB -0.505 29.834 30.300 0.065 0.000 0.834 572 R HN 0.152 nan 8.270 nan 0.000 0.429 573 M N 0.655 120.257 119.600 0.003 0.000 2.144 573 M HA -0.196 4.286 4.480 0.004 0.000 0.260 573 M C 2.299 178.579 176.300 -0.033 0.000 1.067 573 M CA 1.379 56.679 55.300 0.001 0.000 1.095 573 M CB -0.490 32.112 32.600 0.003 0.000 1.365 573 M HN 0.147 nan 8.290 nan 0.000 0.406 574 L N 0.416 121.606 121.223 -0.055 0.000 1.976 574 L HA -0.230 4.112 4.340 0.004 0.000 0.209 574 L C 2.411 179.205 176.870 -0.126 0.000 1.071 574 L CA 2.074 56.866 54.840 -0.079 0.000 0.746 574 L CB -0.951 41.063 42.059 -0.076 0.000 0.890 574 L HN 0.258 nan 8.230 nan 0.000 0.432 575 Q N -0.476 119.212 119.800 -0.186 0.000 2.112 575 Q HA -0.270 4.072 4.340 0.004 0.000 0.206 575 Q C 2.331 178.167 176.000 -0.272 0.000 0.987 575 Q CA 2.236 57.846 55.803 -0.320 0.000 0.858 575 Q CB -0.342 28.066 28.738 -0.550 0.000 0.905 575 Q HN 0.623 nan 8.270 nan 0.000 0.420 576 E N -0.633 119.483 120.200 -0.140 0.000 2.077 576 E HA -0.229 4.124 4.350 0.004 0.000 0.193 576 E C 1.769 178.351 176.600 -0.030 0.000 0.989 576 E CA 1.136 57.549 56.400 0.022 0.000 0.800 576 E CB -0.147 29.618 29.700 0.109 0.000 0.746 576 E HN 0.452 nan 8.360 nan 0.000 0.452 577 A N 0.755 123.535 122.820 -0.066 0.000 1.865 577 A HA -0.176 4.147 4.320 0.004 0.000 0.217 577 A C 2.525 180.027 177.584 -0.137 0.000 1.191 577 A CA 1.822 53.806 52.037 -0.087 0.000 0.623 577 A CB -0.932 18.018 19.000 -0.084 0.000 0.826 577 A HN 0.201 nan 8.150 nan 0.000 0.444 578 V N 1.035 120.852 119.914 -0.161 0.000 2.453 578 V HA -0.296 3.827 4.120 0.004 0.000 0.252 578 V C 2.079 178.037 176.094 -0.226 0.000 1.068 578 V CA 2.279 64.453 62.300 -0.210 0.000 1.070 578 V CB -0.909 30.783 31.823 -0.217 0.000 0.664 578 V HN 0.559 nan 8.190 nan 0.000 0.461 579 D N 0.551 120.857 120.400 -0.157 0.000 2.097 579 D HA -0.119 4.523 4.640 0.004 0.000 0.197 579 D C 2.323 178.557 176.300 -0.109 0.000 0.984 579 D CA 1.560 55.495 54.000 -0.108 0.000 0.826 579 D CB -0.407 40.402 40.800 0.016 0.000 0.973 579 D HN 0.438 nan 8.370 nan 0.000 0.460 580 A N 2.234 124.999 122.820 -0.091 0.000 1.894 580 A HA -0.251 4.071 4.320 0.004 0.000 0.220 580 A C 2.499 180.002 177.584 -0.136 0.000 1.237 580 A CA 2.512 54.496 52.037 -0.088 0.000 0.660 580 A CB -1.286 17.662 19.000 -0.086 0.000 0.835 580 A HN 0.399 nan 8.150 nan 0.000 0.461 581 L N -2.188 118.899 121.223 -0.225 0.000 2.056 581 L HA -0.095 4.247 4.340 0.004 0.000 0.207 581 L C 2.493 179.220 176.870 -0.238 0.000 1.078 581 L CA 1.474 56.143 54.840 -0.285 0.000 0.749 581 L CB -1.022 40.729 42.059 -0.514 0.000 0.901 581 L HN 0.347 nan 8.230 nan 0.000 0.433 582 L N -0.294 120.758 121.223 -0.285 0.000 1.948 582 L HA -0.026 4.316 4.340 0.004 0.000 0.212 582 L C 0.560 177.320 176.870 -0.183 0.000 1.074 582 L CA 1.392 56.024 54.840 -0.347 0.000 0.753 582 L CB -0.449 41.295 42.059 -0.526 0.000 0.888 582 L HN 0.331 nan 8.230 nan 0.000 0.432 583 D N -0.717 119.638 120.400 -0.075 0.000 2.736 583 D HA 0.233 4.875 4.640 0.004 0.000 0.243 583 D C -1.356 174.972 176.300 0.046 0.000 1.304 583 D CA -0.390 53.654 54.000 0.074 0.000 0.934 583 D CB 1.131 42.082 40.800 0.252 0.000 1.382 583 D HN -0.123 nan 8.370 nan 0.000 0.571 584 N N 1.017 119.740 118.700 0.038 0.000 2.456 584 N HA 0.582 5.325 4.740 0.004 0.000 0.288 584 N C 0.979 176.515 175.510 0.044 0.000 1.059 584 N CA 0.966 54.034 53.050 0.029 0.000 0.946 584 N CB 1.447 39.942 38.487 0.012 0.000 1.150 584 N HN 0.593 nan 8.380 nan 0.000 0.479 585 G N 2.467 111.291 108.800 0.040 0.000 2.259 585 G HA2 -0.236 3.726 3.960 0.004 0.000 0.217 585 G HA3 -0.236 3.726 3.960 0.004 0.000 0.217 585 G C 1.334 176.257 174.900 0.039 0.000 1.001 585 G CA -0.101 45.021 45.100 0.037 0.000 0.627 585 G HN 0.499 nan 8.290 nan 0.000 0.501 586 R N 0.356 120.889 120.500 0.055 0.000 2.105 586 R HA 0.006 4.348 4.340 0.004 0.000 0.239 586 R C 1.386 177.705 176.300 0.030 0.000 1.135 586 R CA 1.415 57.547 56.100 0.053 0.000 0.967 586 R CB -0.166 30.186 30.300 0.088 0.000 0.861 586 R HN 0.503 nan 8.270 nan 0.000 0.442 587 R N -0.059 120.461 120.500 0.033 0.000 2.545 587 R HA 0.274 4.617 4.340 0.004 0.000 0.289 587 R C -0.845 175.464 176.300 0.015 0.000 1.327 587 R CA 0.367 56.469 56.100 0.002 0.000 1.040 587 R CB 0.953 31.245 30.300 -0.012 0.000 1.176 587 R HN 0.314 nan 8.270 nan 0.000 0.518 588 G N 1.931 110.735 108.800 0.006 0.000 2.880 588 G HA2 -0.052 3.911 3.960 0.004 0.000 0.617 588 G HA3 -0.052 3.911 3.960 0.004 0.000 0.617 588 G C -0.931 173.981 174.900 0.019 0.000 1.493 588 G CA -0.294 44.813 45.100 0.012 0.000 0.916 588 G HN 0.848 nan 8.290 nan 0.000 0.553 589 A N 1.715 124.546 122.820 0.017 0.000 2.357 589 A HA 0.823 5.145 4.320 0.004 0.000 0.295 589 A C -2.014 175.578 177.584 0.014 0.000 1.121 589 A CA -1.103 50.944 52.037 0.017 0.000 0.742 589 A CB 1.664 20.674 19.000 0.016 0.000 1.181 589 A HN 0.650 nan 8.150 nan 0.000 0.454 590 P HA 0.422 nan 4.420 nan 0.000 0.272 590 P C -0.591 176.714 177.300 0.009 0.000 1.223 590 P CA -0.085 63.020 63.100 0.009 0.000 0.784 590 P CB 1.130 32.832 31.700 0.002 0.000 0.923 591 V N -1.358 118.561 119.914 0.008 0.000 2.841 591 V HA 0.515 4.637 4.120 0.004 0.000 0.310 591 V C -0.199 175.901 176.094 0.009 0.000 1.090 591 V CA -0.823 61.483 62.300 0.009 0.000 0.930 591 V CB 1.472 33.301 31.823 0.009 0.000 1.014 591 V HN 0.423 nan 8.190 nan 0.000 0.425 592 T N 3.154 117.715 114.554 0.011 0.000 2.930 592 T HA 0.178 4.531 4.350 0.004 0.000 0.306 592 T C 0.357 175.063 174.700 0.009 0.000 1.045 592 T CA 0.048 62.155 62.100 0.012 0.000 1.134 592 T CB -0.165 68.712 68.868 0.015 0.000 0.961 592 T HN 0.861 nan 8.240 nan 0.000 0.545 593 N N 2.812 121.516 118.700 0.007 0.000 2.283 593 N HA 0.071 4.813 4.740 0.004 0.000 0.236 593 N C -2.437 173.076 175.510 0.005 0.000 1.252 593 N CA -0.983 52.070 53.050 0.005 0.000 0.856 593 N CB -0.492 37.996 38.487 0.002 0.000 1.099 593 N HN 0.395 nan 8.380 nan 0.000 0.444 594 P HA -0.145 nan 4.420 nan 0.000 0.224 594 P C 0.435 177.738 177.300 0.004 0.000 1.015 594 P CA 1.075 64.177 63.100 0.004 0.000 0.910 594 P CB -0.312 31.390 31.700 0.003 0.000 0.849 595 G N 1.125 109.928 108.800 0.006 0.000 4.212 595 G HA2 0.089 4.052 3.960 0.004 0.000 0.199 595 G HA3 0.089 4.052 3.960 0.004 0.000 0.199 595 G C -0.410 174.495 174.900 0.008 0.000 0.986 595 G CA 0.284 45.388 45.100 0.007 0.000 0.985 595 G HN 0.577 nan 8.290 nan 0.000 0.378 596 S N 1.245 116.950 115.700 0.008 0.000 2.750 596 S HA 0.436 4.908 4.470 0.004 0.000 0.276 596 S C -1.665 172.941 174.600 0.009 0.000 1.165 596 S CA -0.640 57.566 58.200 0.009 0.000 1.047 596 S CB 1.807 65.014 63.200 0.010 0.000 1.056 596 S HN 0.081 nan 8.310 nan 0.000 0.481 597 D N 2.931 123.336 120.400 0.009 0.000 2.662 597 D HA 0.073 4.716 4.640 0.004 0.000 0.228 597 D C 0.208 176.514 176.300 0.010 0.000 1.093 597 D CA 0.311 54.317 54.000 0.009 0.000 1.075 597 D CB 0.115 40.920 40.800 0.008 0.000 1.122 597 D HN 0.470 nan 8.370 nan 0.000 0.475 598 R N 1.754 122.261 120.500 0.011 0.000 2.494 598 R HA 0.359 4.702 4.340 0.004 0.000 0.305 598 R C -2.853 173.455 176.300 0.013 0.000 0.959 598 R CA -1.890 54.217 56.100 0.012 0.000 0.864 598 R CB 1.708 32.016 30.300 0.013 0.000 1.159 598 R HN -0.145 nan 8.270 nan 0.000 0.446 599 P HA 0.039 nan 4.420 nan 0.000 0.267 599 P C -0.906 176.403 177.300 0.015 0.000 1.209 599 P CA -0.174 62.935 63.100 0.015 0.000 0.763 599 P CB 0.443 32.154 31.700 0.018 0.000 0.816 600 L N 3.511 124.742 121.223 0.012 0.000 2.584 600 L HA 0.083 4.425 4.340 0.004 0.000 0.272 600 L C 1.305 178.182 176.870 0.012 0.000 1.195 600 L CA 0.394 55.242 54.840 0.013 0.000 0.920 600 L CB -0.483 41.581 42.059 0.009 0.000 1.173 600 L HN 0.306 nan 8.230 nan 0.000 0.489 601 R N 2.657 123.167 120.500 0.016 0.000 2.633 601 R HA 0.031 4.374 4.340 0.004 0.000 0.357 601 R C 0.131 176.438 176.300 0.011 0.000 0.923 601 R CA 0.088 56.199 56.100 0.018 0.000 1.046 601 R CB 0.013 30.324 30.300 0.019 0.000 0.924 601 R HN 0.879 nan 8.270 nan 0.000 0.413 602 S N 3.282 118.987 115.700 0.009 0.000 2.632 602 S HA 0.112 4.584 4.470 0.004 0.000 0.267 602 S C 1.583 176.181 174.600 -0.004 0.000 1.276 602 S CA -0.993 57.201 58.200 -0.011 0.000 0.998 602 S CB 1.088 64.284 63.200 -0.008 0.000 0.953 602 S HN 0.639 nan 8.310 nan 0.000 0.547 603 L N 0.648 121.847 121.223 -0.040 0.000 2.081 603 L HA -0.174 4.168 4.340 0.004 0.000 0.212 603 L C 2.859 179.739 176.870 0.017 0.000 1.080 603 L CA 1.734 56.547 54.840 -0.044 0.000 0.754 603 L CB -1.186 40.799 42.059 -0.122 0.000 0.893 603 L HN 0.840 nan 8.230 nan 0.000 0.433 604 T N -1.268 113.337 114.554 0.086 0.000 2.708 604 T HA -0.216 4.136 4.350 0.004 0.000 0.266 604 T C 1.564 176.370 174.700 0.178 0.000 1.037 604 T CA 1.474 63.737 62.100 0.273 0.000 1.146 604 T CB -0.248 68.871 68.868 0.418 0.000 0.865 604 T HN 0.337 nan 8.240 nan 0.000 0.435 605 D N 0.667 121.134 120.400 0.111 0.000 2.149 605 D HA -0.052 4.590 4.640 0.004 0.000 0.198 605 D C 2.003 178.337 176.300 0.056 0.000 0.990 605 D CA 0.716 54.763 54.000 0.078 0.000 0.839 605 D CB -0.243 40.590 40.800 0.054 0.000 0.948 605 D HN 0.324 nan 8.370 nan 0.000 0.460 606 I N 0.337 120.927 120.570 0.034 0.000 2.493 606 I HA -0.196 3.976 4.170 0.004 0.000 0.254 606 I C 2.034 178.137 176.117 -0.023 0.000 1.160 606 I CA 0.651 61.953 61.300 0.003 0.000 1.445 606 I CB 0.209 38.199 38.000 -0.016 0.000 1.086 606 I HN -0.020 nan 8.210 nan 0.000 0.433 607 L N -0.415 120.804 121.223 -0.008 0.000 2.529 607 L HA 0.083 4.425 4.340 0.004 0.000 0.223 607 L C 1.034 177.933 176.870 0.048 0.000 1.113 607 L CA 0.002 54.789 54.840 -0.089 0.000 0.861 607 L CB 0.070 42.100 42.059 -0.048 0.000 1.012 607 L HN 0.259 nan 8.230 nan 0.000 0.461 608 S N -0.863 114.906 115.700 0.116 0.000 2.607 608 S HA 0.801 5.273 4.470 0.004 0.000 0.303 608 S C -0.058 174.619 174.600 0.129 0.000 1.086 608 S CA 0.055 58.351 58.200 0.160 0.000 0.995 608 S CB 2.240 65.524 63.200 0.140 0.000 1.084 608 S HN 0.338 nan 8.310 nan 0.000 0.507 609 G N 1.901 110.790 108.800 0.147 0.000 2.663 609 G HA2 -0.135 3.827 3.960 0.004 0.000 0.686 609 G HA3 -0.135 3.827 3.960 0.004 0.000 0.686 609 G C 0.192 175.172 174.900 0.133 0.000 1.288 609 G CA -0.016 45.163 45.100 0.132 0.000 0.836 609 G HN 0.987 nan 8.290 nan 0.000 0.584 610 K N -0.046 120.425 120.400 0.118 0.000 2.049 610 K HA -0.235 4.088 4.320 0.004 0.000 0.219 610 K C 1.464 178.111 176.600 0.077 0.000 1.056 610 K CA 2.531 58.875 56.287 0.095 0.000 0.946 610 K CB -0.231 32.307 32.500 0.064 0.000 0.723 610 K HN 0.753 nan 8.250 nan 0.000 0.453 611 Q N -0.166 119.672 119.800 0.064 0.000 2.788 611 Q HA 0.385 4.728 4.340 0.004 0.000 0.285 611 Q C -0.252 175.779 176.000 0.052 0.000 1.063 611 Q CA -0.694 55.140 55.803 0.051 0.000 0.958 611 Q CB 1.739 30.497 28.738 0.034 0.000 1.211 611 Q HN 0.289 nan 8.270 nan 0.000 0.478 612 G N 1.054 109.894 108.800 0.068 0.000 3.217 612 G HA2 0.291 4.253 3.960 0.004 0.000 0.213 612 G HA3 0.291 4.253 3.960 0.004 0.000 0.213 612 G C 0.106 175.030 174.900 0.039 0.000 1.294 612 G CA -0.617 44.518 45.100 0.058 0.000 0.987 612 G HN 0.303 nan 8.290 nan 0.000 0.584 613 R N -1.405 119.093 120.500 -0.004 0.000 2.156 613 R HA 0.266 4.609 4.340 0.004 0.000 0.207 613 R C 1.905 178.203 176.300 -0.003 0.000 1.040 613 R CA 0.757 56.820 56.100 -0.061 0.000 1.013 613 R CB -0.624 29.567 30.300 -0.182 0.000 0.931 613 R HN 0.357 nan 8.270 nan 0.000 0.465 614 F N 0.083 120.071 119.950 0.064 0.000 2.502 614 F HA 0.163 4.692 4.527 0.004 0.000 0.298 614 F C 1.972 177.798 175.800 0.043 0.000 1.111 614 F CA 0.688 58.724 58.000 0.060 0.000 1.445 614 F CB -0.065 38.983 39.000 0.081 0.000 1.081 614 F HN -0.009 nan 8.300 nan 0.000 0.558 615 R N -0.105 120.535 120.500 0.233 0.000 2.223 615 R HA -0.029 4.313 4.340 0.004 0.000 0.198 615 R C 2.085 178.442 176.300 0.096 0.000 0.984 615 R CA 0.478 56.666 56.100 0.147 0.000 1.018 615 R CB -0.073 30.303 30.300 0.128 0.000 0.945 615 R HN 0.271 nan 8.270 nan 0.000 0.479 616 Q N -0.251 119.599 119.800 0.084 0.000 2.172 616 Q HA -0.056 4.287 4.340 0.004 0.000 0.200 616 Q C 1.239 177.268 176.000 0.048 0.000 0.964 616 Q CA 1.929 57.762 55.803 0.050 0.000 0.855 616 Q CB -0.079 28.678 28.738 0.031 0.000 0.918 616 Q HN 0.370 nan 8.270 nan 0.000 0.444 617 N N -0.629 118.115 118.700 0.073 0.000 2.092 617 N HA -0.084 4.659 4.740 0.004 0.000 0.189 617 N C 1.662 177.196 175.510 0.040 0.000 1.040 617 N CA 1.112 54.200 53.050 0.064 0.000 0.845 617 N CB -0.100 38.456 38.487 0.115 0.000 1.017 617 N HN 0.241 nan 8.380 nan 0.000 0.426 618 L N 0.789 122.041 121.223 0.049 0.000 2.013 618 L HA -0.159 4.183 4.340 0.004 0.000 0.212 618 L C 1.514 178.383 176.870 -0.002 0.000 1.073 618 L CA 1.250 56.093 54.840 0.006 0.000 0.753 618 L CB -0.150 41.912 42.059 0.006 0.000 0.890 618 L HN 0.308 nan 8.230 nan 0.000 0.432 619 L N -1.017 120.215 121.223 0.015 0.000 2.567 619 L HA 0.258 4.600 4.340 0.004 0.000 0.225 619 L C 1.031 177.905 176.870 0.006 0.000 1.119 619 L CA 0.171 55.016 54.840 0.009 0.000 0.871 619 L CB -1.415 40.656 42.059 0.019 0.000 1.036 619 L HN 0.328 nan 8.230 nan 0.000 0.459 620 G N 2.429 111.233 108.800 0.007 0.000 2.479 620 G HA2 -0.261 3.702 3.960 0.004 0.000 0.200 620 G HA3 -0.261 3.702 3.960 0.004 0.000 0.200 620 G C 0.718 175.617 174.900 -0.002 0.000 0.183 620 G CA 0.195 45.295 45.100 -0.001 0.000 1.081 620 G HN 0.391 nan 8.290 nan 0.000 0.495 621 K N 1.774 122.175 120.400 0.002 0.000 2.354 621 K HA 0.105 4.427 4.320 0.004 0.000 0.194 621 K C 1.136 177.737 176.600 0.002 0.000 1.038 621 K CA 0.343 56.633 56.287 0.006 0.000 1.052 621 K CB 1.162 33.669 32.500 0.012 0.000 0.861 621 K HN 0.567 nan 8.250 nan 0.000 0.535 622 R N 1.291 121.786 120.500 -0.007 0.000 2.500 622 R HA 0.263 4.605 4.340 0.004 0.000 0.299 622 R C -0.794 175.493 176.300 -0.021 0.000 1.038 622 R CA -0.355 55.741 56.100 -0.006 0.000 0.903 622 R CB 2.007 32.305 30.300 -0.003 0.000 1.177 622 R HN -0.195 nan 8.270 nan 0.000 0.455 623 V N 2.595 122.488 119.914 -0.035 0.000 2.872 623 V HA -0.070 4.052 4.120 0.004 0.000 0.307 623 V C 1.043 177.121 176.094 -0.026 0.000 1.072 623 V CA 0.276 62.539 62.300 -0.062 0.000 1.148 623 V CB 0.957 32.679 31.823 -0.167 0.000 0.954 623 V HN 0.746 nan 8.190 nan 0.000 0.490 624 D N 1.069 121.464 120.400 -0.009 0.000 2.162 624 D HA -0.027 4.615 4.640 0.004 0.000 0.205 624 D C 0.393 176.548 176.300 -0.241 0.000 0.964 624 D CA 1.218 55.154 54.000 -0.107 0.000 0.847 624 D CB 0.106 40.858 40.800 -0.079 0.000 0.988 624 D HN 0.649 nan 8.370 nan 0.000 0.480 625 Y N 0.843 121.121 120.300 -0.038 0.000 2.907 625 Y HA 0.306 4.858 4.550 0.004 0.000 0.332 625 Y C 0.265 176.160 175.900 -0.009 0.000 1.211 625 Y CA -0.612 57.457 58.100 -0.051 0.000 1.387 625 Y CB 0.290 38.690 38.460 -0.099 0.000 1.396 625 Y HN -0.194 nan 8.280 nan 0.000 0.519 626 S N -0.255 115.496 115.700 0.086 0.000 2.667 626 S HA 1.012 5.484 4.470 0.004 0.000 0.292 626 S C -0.160 174.457 174.600 0.028 0.000 1.126 626 S CA -0.635 57.651 58.200 0.143 0.000 0.881 626 S CB 2.528 65.844 63.200 0.194 0.000 1.132 626 S HN 0.586 nan 8.310 nan 0.000 0.492 627 G N -0.186 108.608 108.800 -0.011 0.000 2.608 627 G HA2 0.765 4.728 3.960 0.004 0.000 0.291 627 G HA3 0.765 4.728 3.960 0.004 0.000 0.291 627 G C -1.897 172.958 174.900 -0.074 0.000 1.425 627 G CA -1.086 43.990 45.100 -0.040 0.000 0.787 627 G HN 1.137 nan 8.290 nan 0.000 0.484 628 R N -1.439 119.023 120.500 -0.063 0.000 2.633 628 R HA 0.759 5.101 4.340 0.004 0.000 0.255 628 R C -1.320 174.946 176.300 -0.057 0.000 1.106 628 R CA -0.690 55.364 56.100 -0.077 0.000 0.959 628 R CB 1.290 31.545 30.300 -0.074 0.000 1.259 628 R HN 0.973 nan 8.270 nan 0.000 0.453 629 S N 1.101 116.764 115.700 -0.062 0.000 2.752 629 S HA 0.563 5.036 4.470 0.004 0.000 0.284 629 S C -1.169 173.407 174.600 -0.041 0.000 1.189 629 S CA -0.607 57.567 58.200 -0.043 0.000 0.835 629 S CB 1.940 65.118 63.200 -0.037 0.000 1.192 629 S HN 0.416 nan 8.310 nan 0.000 0.506 630 V N 3.139 123.039 119.914 -0.024 0.000 2.583 630 V HA 0.412 4.535 4.120 0.004 0.000 0.287 630 V C 0.375 176.472 176.094 0.005 0.000 1.051 630 V CA -0.412 61.884 62.300 -0.008 0.000 1.010 630 V CB 0.591 32.416 31.823 0.002 0.000 0.988 630 V HN 0.687 nan 8.190 nan 0.000 0.478 631 I N 2.878 123.474 120.570 0.043 0.000 2.577 631 I HA 0.843 5.016 4.170 0.004 0.000 0.300 631 I C -0.701 175.527 176.117 0.185 0.000 0.990 631 I CA -0.440 60.918 61.300 0.098 0.000 1.283 631 I CB 1.728 39.806 38.000 0.131 0.000 1.411 631 I HN 0.297 nan 8.210 nan 0.000 0.515 632 V N 5.229 125.192 119.914 0.083 0.000 2.932 632 V HA 0.204 4.326 4.120 0.004 0.000 0.307 632 V C -0.112 175.681 176.094 -0.502 0.000 1.147 632 V CA -0.897 61.267 62.300 -0.227 0.000 0.951 632 V CB 1.932 33.636 31.823 -0.198 0.000 1.031 632 V HN 0.709 nan 8.190 nan 0.000 0.426 633 V N 3.419 122.488 119.914 -1.408 0.000 2.720 633 V HA 0.397 4.519 4.120 0.004 0.000 0.307 633 V C 0.961 176.830 176.094 -0.376 0.000 1.071 633 V CA 1.482 63.203 62.300 -0.966 0.000 1.199 633 V CB 1.086 32.264 31.823 -1.075 0.000 0.900 633 V HN 1.167 nan 8.190 nan 0.000 0.494 634 G N 7.001 115.698 108.800 -0.172 0.000 4.519 634 G HA2 0.447 4.410 3.960 0.004 0.000 0.336 634 G HA3 0.447 4.410 3.960 0.004 0.000 0.336 634 G C -1.720 173.134 174.900 -0.076 0.000 1.491 634 G CA -0.626 44.412 45.100 -0.103 0.000 1.008 634 G HN 0.696 nan 8.290 nan 0.000 0.515 635 P HA -0.253 nan 4.420 nan 0.000 0.217 635 P C 1.958 179.287 177.300 0.048 0.000 1.162 635 P CA 1.327 64.456 63.100 0.048 0.000 0.901 635 P CB 0.347 32.072 31.700 0.043 0.000 0.793 636 Q N -1.160 118.653 119.800 0.022 0.000 2.172 636 Q HA -0.040 4.302 4.340 0.004 0.000 0.200 636 Q C 1.135 177.165 176.000 0.051 0.000 0.964 636 Q CA 0.325 56.136 55.803 0.014 0.000 0.855 636 Q CB -0.907 27.819 28.738 -0.021 0.000 0.918 636 Q HN 0.283 nan 8.270 nan 0.000 0.444 637 L N 2.207 123.470 121.223 0.066 0.000 2.554 637 L HA -0.114 4.228 4.340 0.004 0.000 0.293 637 L C 0.159 177.233 176.870 0.341 0.000 1.252 637 L CA 1.005 55.938 54.840 0.156 0.000 0.862 637 L CB 0.417 42.565 42.059 0.147 0.000 1.113 637 L HN -0.118 nan 8.230 nan 0.000 0.510 638 K N 4.440 125.027 120.400 0.311 0.000 2.123 638 K HA 0.212 4.535 4.320 0.004 0.000 0.259 638 K C 0.942 177.649 176.600 0.178 0.000 0.960 638 K CA -0.751 55.698 56.287 0.271 0.000 0.872 638 K CB 1.515 34.102 32.500 0.145 0.000 1.079 638 K HN 0.492 nan 8.250 nan 0.000 0.440 639 L N 0.352 121.431 121.223 -0.240 0.000 2.171 639 L HA -0.277 4.066 4.340 0.004 0.000 0.216 639 L C 2.123 178.944 176.870 -0.081 0.000 1.084 639 L CA 1.921 56.585 54.840 -0.294 0.000 0.771 639 L CB -1.814 40.011 42.059 -0.389 0.000 0.890 639 L HN 0.767 nan 8.230 nan 0.000 0.437 640 H N 0.343 119.345 119.070 -0.113 0.000 2.387 640 H HA -0.039 4.519 4.556 0.004 0.000 0.299 640 H C 1.004 176.367 175.328 0.058 0.000 1.090 640 H CA 1.588 57.567 56.048 -0.114 0.000 1.332 640 H CB 0.054 29.768 29.762 -0.080 0.000 1.386 640 H HN 0.703 nan 8.280 nan 0.000 0.516 641 Q N -0.755 119.134 119.800 0.148 0.000 2.333 641 Q HA 0.521 4.863 4.340 0.004 0.000 0.266 641 Q C -0.901 175.297 176.000 0.329 0.000 1.053 641 Q CA -0.727 55.171 55.803 0.159 0.000 0.890 641 Q CB 2.174 30.974 28.738 0.104 0.000 1.337 641 Q HN 0.356 nan 8.270 nan 0.000 0.474 642 C N -2.180 117.195 119.300 0.124 0.000 2.880 642 C HA 0.910 5.372 4.460 0.004 0.000 0.320 642 C C 0.274 175.238 174.990 -0.045 0.000 1.176 642 C CA -0.792 58.193 59.018 -0.055 0.000 1.390 642 C CB 0.858 28.391 27.740 -0.345 0.000 1.846 642 C HN 0.988 nan 8.230 nan 0.000 0.478 643 G N 2.120 110.886 108.800 -0.058 0.000 2.365 643 G HA2 0.517 4.480 3.960 0.004 0.000 0.293 643 G HA3 0.517 4.480 3.960 0.004 0.000 0.293 643 G C -1.034 173.825 174.900 -0.068 0.000 1.128 643 G CA -0.098 44.968 45.100 -0.056 0.000 0.971 643 G HN 1.012 nan 8.290 nan 0.000 0.422 644 L N 5.035 126.223 121.223 -0.059 0.000 2.322 644 L HA 0.568 4.910 4.340 0.004 0.000 0.281 644 L C -2.315 174.515 176.870 -0.066 0.000 1.014 644 L CA -2.484 52.326 54.840 -0.050 0.000 0.815 644 L CB 2.274 44.328 42.059 -0.008 0.000 1.247 644 L HN 0.209 nan 8.230 nan 0.000 0.421 645 P HA 0.075 nan 4.420 nan 0.000 0.262 645 P C -0.211 177.023 177.300 -0.110 0.000 1.199 645 P CA -0.088 62.968 63.100 -0.074 0.000 0.763 645 P CB 0.311 31.988 31.700 -0.038 0.000 0.790 646 K N 5.036 125.298 120.400 -0.230 0.000 2.074 646 K HA -0.218 4.104 4.320 0.004 0.000 0.209 646 K C 1.474 177.903 176.600 -0.286 0.000 1.048 646 K CA 1.363 57.381 56.287 -0.450 0.000 0.926 646 K CB -0.378 31.551 32.500 -0.952 0.000 0.713 646 K HN 0.252 nan 8.250 nan 0.000 0.444 647 R N 0.377 120.835 120.500 -0.071 0.000 2.139 647 R HA -0.045 4.298 4.340 0.004 0.000 0.243 647 R C 2.450 178.822 176.300 0.119 0.000 1.145 647 R CA 1.906 58.103 56.100 0.161 0.000 0.976 647 R CB -0.415 29.980 30.300 0.159 0.000 0.866 647 R HN 0.343 nan 8.270 nan 0.000 0.449 648 M N -0.226 119.404 119.600 0.051 0.000 2.236 648 M HA -0.034 4.448 4.480 0.004 0.000 0.266 648 M C 2.485 178.845 176.300 0.099 0.000 1.070 648 M CA 1.264 56.597 55.300 0.056 0.000 1.137 648 M CB -0.166 32.446 32.600 0.021 0.000 1.378 648 M HN 0.248 nan 8.290 nan 0.000 0.426 649 A N 0.567 123.451 122.820 0.108 0.000 1.877 649 A HA -0.187 4.136 4.320 0.004 0.000 0.216 649 A C 2.030 179.808 177.584 0.323 0.000 1.186 649 A CA 1.341 53.535 52.037 0.261 0.000 0.620 649 A CB -0.903 18.161 19.000 0.106 0.000 0.822 649 A HN 0.437 nan 8.150 nan 0.000 0.443 650 L N -0.219 121.147 121.223 0.239 0.000 2.021 650 L HA -0.211 4.132 4.340 0.004 0.000 0.215 650 L C 2.236 179.267 176.870 0.268 0.000 1.074 650 L CA 2.640 57.676 54.840 0.328 0.000 0.760 650 L CB -0.592 41.745 42.059 0.464 0.000 0.889 650 L HN 0.430 nan 8.230 nan 0.000 0.433 651 E N -0.756 119.564 120.200 0.200 0.000 2.046 651 E HA -0.140 4.213 4.350 0.004 0.000 0.190 651 E C 2.206 178.888 176.600 0.137 0.000 0.982 651 E CA 0.932 57.416 56.400 0.140 0.000 0.800 651 E CB -0.293 29.456 29.700 0.082 0.000 0.756 651 E HN 0.336 nan 8.360 nan 0.000 0.449 652 L N 0.319 121.615 121.223 0.120 0.000 1.963 652 L HA -0.198 4.144 4.340 0.004 0.000 0.220 652 L C 1.738 178.651 176.870 0.071 0.000 1.076 652 L CA 1.722 56.581 54.840 0.033 0.000 0.772 652 L CB -1.086 40.916 42.059 -0.095 0.000 0.892 652 L HN 0.106 nan 8.230 nan 0.000 0.435 653 F N -0.294 119.733 119.950 0.128 0.000 2.757 653 F HA 0.111 4.640 4.527 0.004 0.000 0.292 653 F C 1.808 177.744 175.800 0.226 0.000 1.204 653 F CA -0.068 58.001 58.000 0.116 0.000 1.417 653 F CB -0.814 38.205 39.000 0.032 0.000 1.001 653 F HN 0.090 nan 8.300 nan 0.000 0.508 654 K N 1.517 122.144 120.400 0.377 0.000 1.978 654 K HA -0.155 4.167 4.320 0.004 0.000 0.214 654 K C -0.675 176.115 176.600 0.317 0.000 1.049 654 K CA 1.703 58.173 56.287 0.304 0.000 0.939 654 K CB -1.060 31.570 32.500 0.216 0.000 0.721 654 K HN 0.139 nan 8.250 nan 0.000 0.441 655 P HA -0.155 nan 4.420 nan 0.000 0.216 655 P C 1.026 178.494 177.300 0.279 0.000 1.153 655 P CA 1.360 64.633 63.100 0.287 0.000 0.858 655 P CB -0.076 31.816 31.700 0.319 0.000 0.789 656 F N -1.263 118.786 119.950 0.165 0.000 2.216 656 F HA -0.116 4.414 4.527 0.004 0.000 0.300 656 F C 2.187 178.068 175.800 0.135 0.000 1.085 656 F CA 1.094 59.184 58.000 0.149 0.000 1.326 656 F CB -1.130 38.000 39.000 0.217 0.000 1.027 656 F HN -0.148 nan 8.300 nan 0.000 0.497 657 L N -0.534 120.896 121.223 0.345 0.000 2.068 657 L HA -0.091 4.251 4.340 0.004 0.000 0.204 657 L C 2.106 179.069 176.870 0.155 0.000 1.076 657 L CA 1.384 56.361 54.840 0.229 0.000 0.753 657 L CB -0.650 41.550 42.059 0.236 0.000 0.910 657 L HN 0.043 nan 8.230 nan 0.000 0.439 658 L N 0.087 121.397 121.223 0.146 0.000 1.991 658 L HA -0.332 4.010 4.340 0.004 0.000 0.221 658 L C 2.709 179.618 176.870 0.064 0.000 1.079 658 L CA 2.110 57.007 54.840 0.095 0.000 0.778 658 L CB -0.849 41.264 42.059 0.089 0.000 0.893 658 L HN 0.327 nan 8.230 nan 0.000 0.437 659 K N 0.856 121.285 120.400 0.050 0.000 2.044 659 K HA -0.260 4.062 4.320 0.004 0.000 0.210 659 K C 2.025 178.640 176.600 0.024 0.000 1.049 659 K CA 1.895 58.191 56.287 0.016 0.000 0.927 659 K CB -0.277 32.204 32.500 -0.030 0.000 0.713 659 K HN -0.035 nan 8.250 nan 0.000 0.443 660 K N -0.228 120.200 120.400 0.048 0.000 2.209 660 K HA -0.000 4.322 4.320 0.004 0.000 0.204 660 K C 1.945 178.571 176.600 0.044 0.000 1.048 660 K CA 1.427 57.743 56.287 0.050 0.000 0.940 660 K CB -0.037 32.510 32.500 0.077 0.000 0.729 660 K HN 0.206 nan 8.250 nan 0.000 0.451 661 M N 0.120 119.750 119.600 0.050 0.000 2.117 661 M HA -0.164 4.319 4.480 0.004 0.000 0.262 661 M C 2.108 178.423 176.300 0.025 0.000 1.065 661 M CA 1.636 56.960 55.300 0.040 0.000 1.114 661 M CB -0.650 31.975 32.600 0.042 0.000 1.361 661 M HN 0.307 nan 8.290 nan 0.000 0.408 662 E N 0.581 120.794 120.200 0.022 0.000 2.106 662 E HA -0.171 4.181 4.350 0.004 0.000 0.192 662 E C 1.711 178.316 176.600 0.009 0.000 0.984 662 E CA 0.833 57.240 56.400 0.013 0.000 0.806 662 E CB 0.167 29.873 29.700 0.010 0.000 0.750 662 E HN 0.436 nan 8.360 nan 0.000 0.458 663 E N 0.647 120.853 120.200 0.010 0.000 2.265 663 E HA -0.108 4.244 4.350 0.004 0.000 0.196 663 E C 0.611 177.216 176.600 0.007 0.000 0.996 663 E CA 0.881 57.285 56.400 0.007 0.000 0.832 663 E CB 0.134 29.839 29.700 0.007 0.000 0.756 663 E HN 0.236 nan 8.360 nan 0.000 0.491 664 K N -1.163 119.244 120.400 0.011 0.000 2.393 664 K HA 0.381 4.703 4.320 0.004 0.000 0.241 664 K C 1.166 177.770 176.600 0.008 0.000 1.055 664 K CA -0.107 56.186 56.287 0.010 0.000 0.951 664 K CB 0.988 33.498 32.500 0.016 0.000 1.285 664 K HN -0.059 nan 8.250 nan 0.000 0.500 665 G N 0.211 109.015 108.800 0.006 0.000 2.880 665 G HA2 -0.011 3.951 3.960 0.004 0.000 0.209 665 G HA3 -0.011 3.951 3.960 0.004 0.000 0.209 665 G C 1.223 176.125 174.900 0.003 0.000 1.157 665 G CA 0.069 45.171 45.100 0.003 0.000 0.779 665 G HN 0.438 nan 8.290 nan 0.000 0.539 666 I N 0.892 121.465 120.570 0.005 0.000 2.248 666 I HA -0.052 4.120 4.170 0.004 0.000 0.248 666 I C 1.463 177.580 176.117 0.000 0.000 1.107 666 I CA 1.016 62.316 61.300 0.001 0.000 1.373 666 I CB -0.201 37.803 38.000 0.006 0.000 1.055 666 I HN 0.222 nan 8.210 nan 0.000 0.418 667 A N -0.667 122.156 122.820 0.005 0.000 2.520 667 A HA 0.549 4.871 4.320 0.004 0.000 0.298 667 A C -2.253 175.335 177.584 0.006 0.000 1.051 667 A CA -1.000 51.040 52.037 0.005 0.000 0.690 667 A CB 1.099 20.104 19.000 0.009 0.000 1.281 667 A HN -0.199 nan 8.150 nan 0.000 0.402 668 P HA -0.020 nan 4.420 nan 0.000 0.215 668 P C -0.006 177.297 177.300 0.005 0.000 1.157 668 P CA 1.371 64.472 63.100 0.003 0.000 0.859 668 P CB 0.218 31.919 31.700 0.001 0.000 0.786 669 N N -3.278 115.426 118.700 0.007 0.000 2.853 669 N HA 0.113 4.855 4.740 0.004 0.000 0.258 669 N C 0.789 176.307 175.510 0.013 0.000 1.444 669 N CA -0.559 52.496 53.050 0.008 0.000 0.837 669 N CB 1.076 39.567 38.487 0.006 0.000 1.489 669 N HN -0.336 nan 8.380 nan 0.000 0.529 670 V N 0.783 120.706 119.914 0.015 0.000 2.219 670 V HA -0.259 3.863 4.120 0.004 0.000 0.248 670 V C 2.362 178.470 176.094 0.023 0.000 1.053 670 V CA 1.848 64.161 62.300 0.023 0.000 1.009 670 V CB -0.944 30.893 31.823 0.022 0.000 0.636 670 V HN 0.661 nan 8.190 nan 0.000 0.445 671 K N 0.239 120.649 120.400 0.018 0.000 2.160 671 K HA -0.191 4.132 4.320 0.004 0.000 0.206 671 K C 2.306 178.914 176.600 0.013 0.000 1.047 671 K CA 1.512 57.809 56.287 0.016 0.000 0.930 671 K CB -0.452 32.056 32.500 0.012 0.000 0.720 671 K HN 0.544 nan 8.250 nan 0.000 0.450 672 A N 1.259 124.086 122.820 0.011 0.000 1.855 672 A HA -0.108 4.215 4.320 0.004 0.000 0.215 672 A C 2.351 179.940 177.584 0.009 0.000 1.191 672 A CA 1.802 53.844 52.037 0.008 0.000 0.613 672 A CB -0.773 18.230 19.000 0.005 0.000 0.829 672 A HN 0.340 nan 8.150 nan 0.000 0.442 673 A N -0.601 122.228 122.820 0.015 0.000 1.978 673 A HA -0.203 4.119 4.320 0.004 0.000 0.220 673 A C 2.243 179.842 177.584 0.025 0.000 1.170 673 A CA 1.899 53.949 52.037 0.021 0.000 0.636 673 A CB -0.477 18.542 19.000 0.033 0.000 0.810 673 A HN 0.562 nan 8.150 nan 0.000 0.448 674 R N -0.552 119.964 120.500 0.027 0.000 2.057 674 R HA -0.065 4.278 4.340 0.004 0.000 0.229 674 R C 2.455 178.766 176.300 0.017 0.000 1.136 674 R CA 1.303 57.421 56.100 0.030 0.000 0.952 674 R CB -0.224 30.094 30.300 0.031 0.000 0.848 674 R HN 0.533 nan 8.270 nan 0.000 0.430 675 R N -0.044 120.462 120.500 0.010 0.000 2.105 675 R HA -0.136 4.206 4.340 0.004 0.000 0.239 675 R C 2.248 178.545 176.300 -0.004 0.000 1.135 675 R CA 1.178 57.279 56.100 0.003 0.000 0.967 675 R CB -0.389 29.912 30.300 0.001 0.000 0.861 675 R HN 0.277 nan 8.270 nan 0.000 0.442 676 M N 0.904 120.501 119.600 -0.005 0.000 2.202 676 M HA -0.115 4.367 4.480 0.004 0.000 0.262 676 M C 1.572 177.856 176.300 -0.027 0.000 1.063 676 M CA 1.698 56.988 55.300 -0.017 0.000 1.097 676 M CB -0.168 32.423 32.600 -0.015 0.000 1.382 676 M HN 0.150 nan 8.290 nan 0.000 0.413 677 L N -0.707 120.508 121.223 -0.013 0.000 2.664 677 L HA 0.023 4.365 4.340 0.004 0.000 0.233 677 L C 1.973 178.840 176.870 -0.005 0.000 1.113 677 L CA -0.041 54.790 54.840 -0.015 0.000 0.896 677 L CB -0.312 41.755 42.059 0.014 0.000 1.163 677 L HN 0.273 nan 8.230 nan 0.000 0.497 678 E N 1.329 121.528 120.200 -0.002 0.000 2.333 678 E HA -0.119 4.233 4.350 0.004 0.000 0.198 678 E C 0.283 176.880 176.600 -0.005 0.000 1.007 678 E CA 0.519 56.920 56.400 0.002 0.000 0.845 678 E CB 0.045 29.746 29.700 0.002 0.000 0.766 678 E HN 0.483 nan 8.360 nan 0.000 0.507 679 R N 0.474 120.964 120.500 -0.015 0.000 2.670 679 R HA 0.241 4.584 4.340 0.004 0.000 0.289 679 R C 0.515 176.794 176.300 -0.035 0.000 0.965 679 R CA -0.462 55.626 56.100 -0.020 0.000 0.899 679 R CB 1.388 31.676 30.300 -0.021 0.000 1.173 679 R HN -0.037 nan 8.270 nan 0.000 0.456 680 Q N 1.329 121.111 119.800 -0.031 0.000 2.172 680 Q HA -0.053 4.290 4.340 0.004 0.000 0.200 680 Q C 1.106 177.066 176.000 -0.066 0.000 0.964 680 Q CA 1.358 57.135 55.803 -0.045 0.000 0.855 680 Q CB 0.341 29.069 28.738 -0.017 0.000 0.918 680 Q HN 0.397 nan 8.270 nan 0.000 0.444 681 R N 0.048 120.518 120.500 -0.050 0.000 2.323 681 R HA -0.030 4.313 4.340 0.004 0.000 0.198 681 R C 0.212 176.472 176.300 -0.066 0.000 0.988 681 R CA 0.715 56.783 56.100 -0.053 0.000 1.041 681 R CB 0.317 30.596 30.300 -0.035 0.000 0.926 681 R HN 0.215 nan 8.270 nan 0.000 0.476 682 D N -0.273 120.083 120.400 -0.074 0.000 2.369 682 D HA 0.061 4.704 4.640 0.004 0.000 0.211 682 D C -0.436 175.800 176.300 -0.107 0.000 1.077 682 D CA 0.171 54.127 54.000 -0.074 0.000 0.842 682 D CB 0.387 41.154 40.800 -0.055 0.000 0.947 682 D HN -0.037 nan 8.370 nan 0.000 0.509 683 I N 1.927 122.401 120.570 -0.160 0.000 2.436 683 I HA 0.034 4.207 4.170 0.004 0.000 0.289 683 I C 0.409 176.387 176.117 -0.232 0.000 1.083 683 I CA -0.433 60.724 61.300 -0.239 0.000 1.372 683 I CB 0.443 38.190 38.000 -0.423 0.000 1.408 683 I HN -0.245 nan 8.210 nan 0.000 0.516 684 K N 5.862 126.158 120.400 -0.173 0.000 2.326 684 K HA 0.096 4.418 4.320 0.004 0.000 0.275 684 K C 0.645 177.144 176.600 -0.168 0.000 1.018 684 K CA -0.397 55.810 56.287 -0.133 0.000 0.962 684 K CB 0.613 33.065 32.500 -0.080 0.000 0.953 684 K HN 0.452 nan 8.250 nan 0.000 0.475 685 D N 2.805 123.131 120.400 -0.124 0.000 2.311 685 D HA -0.186 4.456 4.640 0.004 0.000 0.212 685 D C 0.947 177.237 176.300 -0.016 0.000 0.972 685 D CA 1.302 55.247 54.000 -0.093 0.000 0.887 685 D CB 0.123 40.911 40.800 -0.019 0.000 0.915 685 D HN 0.642 nan 8.370 nan 0.000 0.497 686 E N 0.828 121.015 120.200 -0.020 0.000 2.204 686 E HA -0.092 4.261 4.350 0.004 0.000 0.194 686 E C 2.242 178.868 176.600 0.043 0.000 0.989 686 E CA 0.552 56.963 56.400 0.018 0.000 0.824 686 E CB -0.215 29.487 29.700 0.003 0.000 0.756 686 E HN 0.134 nan 8.360 nan 0.000 0.477 687 V N 0.763 120.677 119.914 0.000 0.000 2.343 687 V HA -0.235 3.887 4.120 0.004 0.000 0.247 687 V C 2.053 178.290 176.094 0.238 0.000 1.051 687 V CA 1.855 64.183 62.300 0.047 0.000 1.036 687 V CB -0.959 30.817 31.823 -0.078 0.000 0.654 687 V HN 0.411 nan 8.190 nan 0.000 0.451 688 W N 0.451 121.756 121.300 0.008 0.000 2.338 688 W HA -0.199 4.463 4.660 0.004 0.000 0.304 688 W C 2.386 178.902 176.519 -0.005 0.000 1.212 688 W CA 0.657 58.004 57.345 0.002 0.000 1.264 688 W CB -0.215 29.246 29.460 0.001 0.000 1.142 688 W HN 0.325 nan 8.180 nan 0.000 0.512 689 D N 0.182 120.725 120.400 0.238 0.000 2.116 689 D HA -0.202 4.440 4.640 0.004 0.000 0.193 689 D C 2.159 178.516 176.300 0.095 0.000 0.998 689 D CA 1.922 55.996 54.000 0.124 0.000 0.836 689 D CB -0.977 39.873 40.800 0.083 0.000 0.951 689 D HN 0.096 nan 8.370 nan 0.000 0.449 690 A N 0.580 123.466 122.820 0.110 0.000 1.858 690 A HA -0.156 4.166 4.320 0.004 0.000 0.216 690 A C 2.206 179.840 177.584 0.084 0.000 1.190 690 A CA 1.200 53.291 52.037 0.089 0.000 0.617 690 A CB -0.914 18.144 19.000 0.096 0.000 0.827 690 A HN 0.222 nan 8.150 nan 0.000 0.443 691 L N -0.265 121.032 121.223 0.124 0.000 1.989 691 L HA -0.181 4.162 4.340 0.004 0.000 0.211 691 L C 2.364 179.191 176.870 -0.073 0.000 1.071 691 L CA 2.690 57.559 54.840 0.048 0.000 0.749 691 L CB -0.656 41.474 42.059 0.119 0.000 0.890 691 L HN 0.471 nan 8.230 nan 0.000 0.431 692 E N -0.231 119.943 120.200 -0.045 0.000 2.187 692 E HA -0.302 4.051 4.350 0.004 0.000 0.199 692 E C 2.147 178.726 176.600 -0.036 0.000 1.004 692 E CA 1.749 58.106 56.400 -0.071 0.000 0.813 692 E CB -0.109 29.575 29.700 -0.028 0.000 0.736 692 E HN 0.632 nan 8.360 nan 0.000 0.468 693 E N -1.215 118.981 120.200 -0.006 0.000 2.170 693 E HA -0.060 4.292 4.350 0.004 0.000 0.191 693 E C 1.729 178.342 176.600 0.022 0.000 0.981 693 E CA 0.820 57.225 56.400 0.010 0.000 0.830 693 E CB 0.275 29.981 29.700 0.010 0.000 0.775 693 E HN 0.154 nan 8.360 nan 0.000 0.470 694 V N 1.233 121.145 119.914 -0.004 0.000 2.871 694 V HA -0.114 4.008 4.120 0.004 0.000 0.256 694 V C 2.091 178.138 176.094 -0.079 0.000 1.082 694 V CA 1.055 63.371 62.300 0.027 0.000 1.105 694 V CB -0.059 31.808 31.823 0.074 0.000 0.713 694 V HN 0.354 nan 8.190 nan 0.000 0.473 695 I N -0.860 119.560 120.570 -0.249 0.000 3.883 695 I HA 0.015 4.188 4.170 0.004 0.000 0.326 695 I C 2.129 178.179 176.117 -0.111 0.000 1.283 695 I CA 0.321 61.389 61.300 -0.387 0.000 1.161 695 I CB -0.149 37.411 38.000 -0.733 0.000 1.012 695 I HN 0.400 nan 8.210 nan 0.000 0.421 696 H N 1.712 120.725 119.070 -0.095 0.000 2.237 696 H HA -0.303 4.256 4.556 0.004 0.000 0.266 696 H C 1.630 176.956 175.328 -0.003 0.000 1.136 696 H CA 2.468 58.495 56.048 -0.034 0.000 1.236 696 H CB -0.671 29.088 29.762 -0.005 0.000 1.480 696 H HN 0.346 nan 8.280 nan 0.000 0.570 697 G N 0.177 108.873 108.800 -0.172 0.000 3.596 697 G HA2 0.163 4.125 3.960 0.004 0.000 0.274 697 G HA3 0.163 4.125 3.960 0.004 0.000 0.274 697 G C -0.315 174.567 174.900 -0.031 0.000 1.007 697 G CA -0.466 44.517 45.100 -0.196 0.000 0.825 697 G HN 0.193 nan 8.290 nan 0.000 0.508 698 K N 0.842 121.247 120.400 0.008 0.000 2.126 698 K HA 0.529 4.851 4.320 0.004 0.000 0.257 698 K C 0.020 176.658 176.600 0.064 0.000 1.007 698 K CA -0.347 55.975 56.287 0.060 0.000 0.928 698 K CB 2.254 34.821 32.500 0.111 0.000 1.013 698 K HN 0.168 nan 8.250 nan 0.000 0.473 699 V N -2.094 117.866 119.914 0.078 0.000 3.102 699 V HA 0.736 4.858 4.120 0.004 0.000 0.312 699 V C -0.318 175.832 176.094 0.093 0.000 1.135 699 V CA -1.023 61.323 62.300 0.077 0.000 1.022 699 V CB 1.830 33.673 31.823 0.033 0.000 1.056 699 V HN 0.558 nan 8.190 nan 0.000 0.436 700 V N 0.619 120.597 119.914 0.107 0.000 2.960 700 V HA 0.845 4.967 4.120 0.004 0.000 0.315 700 V C -0.733 175.429 176.094 0.112 0.000 1.087 700 V CA -0.939 61.406 62.300 0.074 0.000 0.982 700 V CB 1.547 33.401 31.823 0.050 0.000 1.039 700 V HN 0.931 nan 8.190 nan 0.000 0.437 701 L N 2.819 124.095 121.223 0.088 0.000 2.322 701 L HA 0.726 5.069 4.340 0.004 0.000 0.279 701 L C -0.414 176.468 176.870 0.019 0.000 1.036 701 L CA -0.490 54.419 54.840 0.116 0.000 0.807 701 L CB 0.955 43.094 42.059 0.134 0.000 1.226 701 L HN 0.507 nan 8.230 nan 0.000 0.433 702 L N 2.394 123.643 121.223 0.043 0.000 2.346 702 L HA 0.536 4.878 4.340 0.004 0.000 0.276 702 L C -0.261 176.452 176.870 -0.261 0.000 1.006 702 L CA -0.034 54.714 54.840 -0.153 0.000 0.817 702 L CB 1.649 43.583 42.059 -0.208 0.000 1.272 702 L HN 0.743 nan 8.230 nan 0.000 0.421 703 N N 1.097 119.569 118.700 -0.379 0.000 2.292 703 N HA 0.698 5.440 4.740 0.004 0.000 0.303 703 N C -1.069 174.162 175.510 -0.466 0.000 1.140 703 N CA -0.755 52.081 53.050 -0.356 0.000 0.788 703 N CB 1.734 40.077 38.487 -0.241 0.000 1.361 703 N HN 0.457 nan 8.380 nan 0.000 0.489 704 R N 1.856 122.121 120.500 -0.392 0.000 2.873 704 R HA 0.648 4.990 4.340 0.004 0.000 0.264 704 R C 0.382 176.599 176.300 -0.138 0.000 1.026 704 R CA 0.006 55.928 56.100 -0.296 0.000 1.002 704 R CB 0.785 30.934 30.300 -0.252 0.000 1.174 704 R HN 0.671 nan 8.270 nan 0.000 0.488 705 A N 2.606 125.364 122.820 -0.103 0.000 2.106 705 A HA -0.024 4.298 4.320 0.004 0.000 0.207 705 A C -1.293 176.261 177.584 -0.049 0.000 1.226 705 A CA 1.431 53.428 52.037 -0.067 0.000 0.783 705 A CB -1.970 16.997 19.000 -0.055 0.000 0.826 705 A HN 0.699 nan 8.150 nan 0.000 0.507 706 P HA 0.326 nan 4.420 nan 0.000 0.287 706 P C -1.021 176.252 177.300 -0.045 0.000 1.294 706 P CA -0.057 63.018 63.100 -0.041 0.000 0.776 706 P CB 1.010 32.684 31.700 -0.043 0.000 0.889 707 T N 2.509 117.045 114.554 -0.031 0.000 3.455 707 T HA 0.182 4.535 4.350 0.004 0.000 0.286 707 T C 1.240 175.910 174.700 -0.050 0.000 1.157 707 T CA -0.247 61.845 62.100 -0.014 0.000 1.090 707 T CB -0.580 68.301 68.868 0.021 0.000 1.112 707 T HN 0.171 nan 8.240 nan 0.000 0.779 708 L N 1.306 122.437 121.223 -0.153 0.000 2.068 708 L HA 0.141 4.483 4.340 0.004 0.000 0.204 708 L C 1.722 178.508 176.870 -0.140 0.000 1.076 708 L CA 0.804 55.528 54.840 -0.194 0.000 0.753 708 L CB -0.354 41.529 42.059 -0.293 0.000 0.910 708 L HN 0.743 nan 8.230 nan 0.000 0.439 709 H N -2.356 116.738 119.070 0.040 0.000 2.927 709 H HA 0.352 4.911 4.556 0.004 0.000 0.316 709 H C 0.676 176.027 175.328 0.038 0.000 1.403 709 H CA -0.862 55.199 56.048 0.021 0.000 1.288 709 H CB 0.934 30.697 29.762 0.002 0.000 1.944 709 H HN -0.120 nan 8.280 nan 0.000 0.629 710 R N 0.149 120.777 120.500 0.213 0.000 2.127 710 R HA -0.045 4.297 4.340 0.004 0.000 0.238 710 R C 1.258 177.650 176.300 0.154 0.000 1.134 710 R CA 1.589 57.766 56.100 0.130 0.000 0.975 710 R CB -0.469 29.863 30.300 0.053 0.000 0.865 710 R HN 0.523 nan 8.270 nan 0.000 0.447 711 L N 1.387 122.678 121.223 0.114 0.000 2.675 711 L HA 0.094 4.437 4.340 0.004 0.000 0.238 711 L C 2.047 179.087 176.870 0.284 0.000 1.155 711 L CA 0.649 55.511 54.840 0.036 0.000 0.881 711 L CB -0.425 41.459 42.059 -0.292 0.000 1.008 711 L HN 0.574 nan 8.230 nan 0.000 0.443 712 G N 0.531 109.630 108.800 0.498 0.000 2.509 712 G HA2 -0.039 3.923 3.960 0.004 0.000 0.218 712 G HA3 -0.039 3.923 3.960 0.004 0.000 0.218 712 G C 0.808 176.075 174.900 0.611 0.000 1.124 712 G CA 0.244 45.662 45.100 0.530 0.000 0.776 712 G HN 0.304 nan 8.290 nan 0.000 0.547 713 I N -0.191 120.685 120.570 0.511 0.000 2.499 713 I HA 0.384 4.556 4.170 0.004 0.000 0.288 713 I C -0.921 175.460 176.117 0.440 0.000 1.048 713 I CA -0.601 60.953 61.300 0.423 0.000 1.062 713 I CB 2.233 40.366 38.000 0.222 0.000 1.238 713 I HN 0.005 nan 8.210 nan 0.000 0.426 714 Q N 3.822 123.955 119.800 0.555 0.000 2.421 714 Q HA 0.789 5.132 4.340 0.004 0.000 0.280 714 Q C -1.064 175.185 176.000 0.415 0.000 1.085 714 Q CA -0.955 55.096 55.803 0.413 0.000 0.807 714 Q CB 3.129 32.148 28.738 0.468 0.000 1.405 714 Q HN 0.761 nan 8.270 nan 0.000 0.419 715 A N 1.543 124.457 122.820 0.156 0.000 2.305 715 A HA 0.827 5.149 4.320 0.004 0.000 0.322 715 A C -1.335 176.267 177.584 0.029 0.000 1.187 715 A CA -0.165 51.972 52.037 0.167 0.000 0.825 715 A CB 0.290 19.329 19.000 0.065 0.000 1.164 715 A HN 0.510 nan 8.150 nan 0.000 0.498 716 F N -0.563 119.361 119.950 -0.043 0.000 2.629 716 F HA 0.455 4.985 4.527 0.004 0.000 0.316 716 F C 0.289 175.990 175.800 -0.165 0.000 1.081 716 F CA -0.598 57.326 58.000 -0.128 0.000 0.954 716 F CB 2.064 41.028 39.000 -0.060 0.000 1.337 716 F HN 0.603 nan 8.300 nan 0.000 0.474 717 Q N 2.692 122.432 119.800 -0.100 0.000 2.314 717 Q HA 0.333 4.676 4.340 0.004 0.000 0.257 717 Q C -2.530 173.463 176.000 -0.012 0.000 0.975 717 Q CA -1.844 53.888 55.803 -0.119 0.000 0.933 717 Q CB 1.142 29.712 28.738 -0.281 0.000 1.195 717 Q HN 0.101 nan 8.270 nan 0.000 0.426 718 P HA 0.016 nan 4.420 nan 0.000 0.276 718 P C -1.230 176.048 177.300 -0.037 0.000 1.264 718 P CA -0.027 63.079 63.100 0.010 0.000 0.769 718 P CB 0.753 32.495 31.700 0.069 0.000 0.840 719 V N 6.180 126.073 119.914 -0.034 0.000 2.288 719 V HA 0.102 4.225 4.120 0.004 0.000 0.266 719 V C 0.388 176.434 176.094 -0.080 0.000 1.048 719 V CA -0.736 61.535 62.300 -0.049 0.000 0.842 719 V CB 0.132 31.943 31.823 -0.021 0.000 1.064 719 V HN 0.398 nan 8.190 nan 0.000 0.472 720 L N 6.335 127.485 121.223 -0.123 0.000 2.678 720 L HA 0.088 4.430 4.340 0.004 0.000 0.285 720 L C 0.254 177.025 176.870 -0.164 0.000 1.233 720 L CA 1.131 55.862 54.840 -0.182 0.000 0.920 720 L CB -0.030 41.865 42.059 -0.274 0.000 1.176 720 L HN 0.617 nan 8.230 nan 0.000 0.495 721 V N -0.337 119.482 119.914 -0.160 0.000 3.130 721 V HA 0.633 4.755 4.120 0.004 0.000 0.310 721 V C -0.298 175.724 176.094 -0.120 0.000 1.158 721 V CA -1.182 61.045 62.300 -0.122 0.000 1.029 721 V CB 1.966 33.738 31.823 -0.084 0.000 1.057 721 V HN 0.597 nan 8.190 nan 0.000 0.436 722 E N 1.281 121.434 120.200 -0.079 0.000 2.373 722 E HA 0.590 4.942 4.350 0.004 0.000 0.263 722 E C 0.552 177.134 176.600 -0.029 0.000 1.073 722 E CA 0.919 57.296 56.400 -0.040 0.000 0.894 722 E CB 1.186 30.879 29.700 -0.012 0.000 1.008 722 E HN 1.629 nan 8.360 nan 0.000 0.420 723 G N 1.461 110.258 108.800 -0.005 0.000 2.610 723 G HA2 -0.283 3.679 3.960 0.004 0.000 0.304 723 G HA3 -0.283 3.679 3.960 0.004 0.000 0.304 723 G C 0.460 175.356 174.900 -0.007 0.000 1.309 723 G CA 0.241 45.337 45.100 -0.005 0.000 0.906 723 G HN 0.586 nan 8.290 nan 0.000 0.521 724 Q N -0.231 119.563 119.800 -0.010 0.000 2.107 724 Q HA 0.245 4.588 4.340 0.004 0.000 0.195 724 Q C 1.940 177.927 176.000 -0.022 0.000 0.964 724 Q CA 1.528 57.325 55.803 -0.010 0.000 0.833 724 Q CB -0.267 28.467 28.738 -0.007 0.000 0.910 724 Q HN 1.638 nan 8.270 nan 0.000 0.465 725 S N 0.249 115.932 115.700 -0.029 0.000 2.576 725 S HA 0.219 4.692 4.470 0.004 0.000 0.272 725 S C 0.147 174.721 174.600 -0.044 0.000 1.352 725 S CA -0.517 57.663 58.200 -0.035 0.000 1.021 725 S CB 0.461 63.634 63.200 -0.045 0.000 0.887 725 S HN 0.367 nan 8.310 nan 0.000 0.542 726 I N 1.995 122.538 120.570 -0.044 0.000 2.362 726 I HA 0.193 4.366 4.170 0.004 0.000 0.289 726 I C 0.141 176.226 176.117 -0.054 0.000 0.994 726 I CA -0.500 60.766 61.300 -0.056 0.000 1.158 726 I CB 1.462 39.420 38.000 -0.070 0.000 1.315 726 I HN 0.685 nan 8.210 nan 0.000 0.451 727 Q N 5.984 125.744 119.800 -0.066 0.000 2.293 727 Q HA 0.362 4.704 4.340 0.004 0.000 0.263 727 Q C -0.881 175.087 176.000 -0.053 0.000 1.002 727 Q CA -0.508 55.257 55.803 -0.064 0.000 0.910 727 Q CB 1.796 30.495 28.738 -0.066 0.000 1.185 727 Q HN 0.358 nan 8.270 nan 0.000 0.401 728 L N 2.034 123.265 121.223 0.014 0.000 2.333 728 L HA 0.354 4.697 4.340 0.004 0.000 0.269 728 L C -0.513 176.453 176.870 0.160 0.000 1.010 728 L CA -0.810 54.055 54.840 0.042 0.000 0.818 728 L CB 1.539 43.679 42.059 0.136 0.000 1.306 728 L HN 0.619 nan 8.230 nan 0.000 0.430 729 H N 5.036 124.186 119.070 0.133 0.000 2.652 729 H HA 0.255 4.814 4.556 0.004 0.000 0.349 729 H C -2.001 173.491 175.328 0.273 0.000 1.099 729 H CA -1.328 54.855 56.048 0.225 0.000 1.417 729 H CB 1.769 31.706 29.762 0.291 0.000 1.457 729 H HN 0.501 nan 8.280 nan 0.000 0.568 730 P HA -0.149 nan 4.420 nan 0.000 0.215 730 P C 1.850 179.359 177.300 0.348 0.000 1.157 730 P CA 0.917 64.180 63.100 0.271 0.000 0.863 730 P CB 0.450 32.293 31.700 0.239 0.000 0.787 731 L N -0.093 121.454 121.223 0.540 0.000 2.079 731 L HA -0.132 4.210 4.340 0.004 0.000 0.210 731 L C 2.530 179.519 176.870 0.197 0.000 1.081 731 L CA 1.450 56.477 54.840 0.311 0.000 0.752 731 L CB -0.931 41.266 42.059 0.230 0.000 0.896 731 L HN -0.105 nan 8.230 nan 0.000 0.433 732 V N -5.534 114.536 119.914 0.259 0.000 3.217 732 V HA -0.128 3.994 4.120 0.004 0.000 0.264 732 V C 2.222 178.359 176.094 0.071 0.000 1.135 732 V CA 0.601 62.965 62.300 0.106 0.000 1.142 732 V CB -1.137 30.823 31.823 0.228 0.000 0.754 732 V HN 0.432 nan 8.190 nan 0.000 0.484 733 C N 0.486 119.882 119.300 0.159 0.000 2.400 733 C HA -0.107 4.355 4.460 0.004 0.000 0.291 733 C C 2.718 177.739 174.990 0.051 0.000 1.372 733 C CA 1.365 60.444 59.018 0.101 0.000 1.800 733 C CB -1.161 26.603 27.740 0.039 0.000 1.869 733 C HN 0.641 nan 8.230 nan 0.000 0.533 734 E N 0.301 120.519 120.200 0.030 0.000 2.086 734 E HA -0.042 4.310 4.350 0.004 0.000 0.190 734 E C 2.404 179.006 176.600 0.002 0.000 0.975 734 E CA 0.977 57.387 56.400 0.017 0.000 0.813 734 E CB -0.198 29.508 29.700 0.010 0.000 0.768 734 E HN 0.631 nan 8.360 nan 0.000 0.457 735 A N 1.675 124.437 122.820 -0.098 0.000 1.842 735 A HA -0.147 4.176 4.320 0.004 0.000 0.217 735 A C 0.908 178.523 177.584 0.052 0.000 1.206 735 A CA 1.102 53.045 52.037 -0.157 0.000 0.630 735 A CB -1.017 17.717 19.000 -0.443 0.000 0.839 735 A HN 0.150 nan 8.150 nan 0.000 0.447 736 F N 0.426 120.475 119.950 0.164 0.000 2.467 736 F HA 0.225 4.754 4.527 0.004 0.000 0.362 736 F C 0.755 176.576 175.800 0.036 0.000 1.090 736 F CA -0.731 57.331 58.000 0.102 0.000 1.202 736 F CB 0.001 39.030 39.000 0.049 0.000 1.113 736 F HN 0.155 nan 8.300 nan 0.000 0.541 737 N N 3.494 122.306 118.700 0.186 0.000 2.383 737 N HA 0.202 4.945 4.740 0.004 0.000 0.295 737 N C -1.032 174.505 175.510 0.044 0.000 1.281 737 N CA 0.109 53.207 53.050 0.080 0.000 1.048 737 N CB -0.180 38.325 38.487 0.031 0.000 1.455 737 N HN 0.717 nan 8.380 nan 0.000 0.488 738 A N 3.056 125.886 122.820 0.016 0.000 2.414 738 A HA 0.379 4.702 4.320 0.004 0.000 0.286 738 A C -0.582 176.836 177.584 -0.275 0.000 1.073 738 A CA -0.961 51.022 52.037 -0.090 0.000 0.727 738 A CB 0.874 19.850 19.000 -0.039 0.000 1.215 738 A HN 0.642 nan 8.150 nan 0.000 0.430 739 D N 0.586 120.804 120.400 -0.303 0.000 2.569 739 D HA 0.487 5.130 4.640 0.004 0.000 0.266 739 D C -0.581 175.392 176.300 -0.545 0.000 1.164 739 D CA -0.645 53.090 54.000 -0.441 0.000 1.071 739 D CB 0.829 41.527 40.800 -0.171 0.000 1.183 739 D HN 0.292 nan 8.370 nan 0.000 0.613 740 F N -0.301 119.654 119.950 0.009 0.000 2.925 740 F HA 0.142 4.671 4.527 0.004 0.000 0.302 740 F C 0.612 176.405 175.800 -0.012 0.000 1.189 740 F CA -0.712 57.285 58.000 -0.006 0.000 1.346 740 F CB 0.152 39.143 39.000 -0.014 0.000 0.954 740 F HN 0.146 nan 8.300 nan 0.000 0.506 741 D N -0.951 119.501 120.400 0.086 0.000 2.319 741 D HA 0.233 4.876 4.640 0.004 0.000 0.230 741 D C 1.696 178.022 176.300 0.044 0.000 1.094 741 D CA 0.495 54.532 54.000 0.062 0.000 0.856 741 D CB 0.231 41.049 40.800 0.030 0.000 0.915 741 D HN 0.371 nan 8.370 nan 0.000 0.517 742 G N -0.064 108.770 108.800 0.055 0.000 2.370 742 G HA2 -0.187 3.775 3.960 0.004 0.000 0.174 742 G HA3 -0.187 3.775 3.960 0.004 0.000 0.174 742 G C -0.624 174.284 174.900 0.012 0.000 1.002 742 G CA -0.538 44.581 45.100 0.033 0.000 0.730 742 G HN 0.264 nan 8.290 nan 0.000 0.497 743 D N 1.701 122.100 120.400 -0.001 0.000 2.525 743 D HA 0.413 5.056 4.640 0.004 0.000 0.235 743 D C 0.900 177.183 176.300 -0.029 0.000 1.137 743 D CA 0.754 54.735 54.000 -0.031 0.000 0.868 743 D CB 0.525 41.287 40.800 -0.064 0.000 1.180 743 D HN 0.758 nan 8.370 nan 0.000 0.465 744 Q N 0.788 120.558 119.800 -0.050 0.000 2.312 744 Q HA 0.634 4.976 4.340 0.004 0.000 0.263 744 Q C -0.846 175.090 176.000 -0.105 0.000 0.995 744 Q CA -0.808 54.958 55.803 -0.061 0.000 0.853 744 Q CB 2.023 30.731 28.738 -0.051 0.000 1.300 744 Q HN 0.371 nan 8.270 nan 0.000 0.448 745 M N 1.855 121.376 119.600 -0.132 0.000 2.383 745 M HA 0.650 5.132 4.480 0.004 0.000 0.325 745 M C -0.635 175.546 176.300 -0.199 0.000 1.092 745 M CA -0.769 54.406 55.300 -0.207 0.000 0.961 745 M CB 2.287 34.718 32.600 -0.283 0.000 1.672 745 M HN 0.932 nan 8.290 nan 0.000 0.438 746 A N 2.267 124.948 122.820 -0.233 0.000 2.272 746 A HA 0.739 5.062 4.320 0.004 0.000 0.275 746 A C -0.881 176.520 177.584 -0.306 0.000 1.096 746 A CA -0.565 51.323 52.037 -0.248 0.000 0.822 746 A CB 1.010 19.844 19.000 -0.276 0.000 1.088 746 A HN 0.659 nan 8.150 nan 0.000 0.495 747 V N 1.806 121.534 119.914 -0.310 0.000 2.711 747 V HA 0.532 4.654 4.120 0.004 0.000 0.304 747 V C -1.390 174.574 176.094 -0.218 0.000 1.097 747 V CA -0.641 61.503 62.300 -0.260 0.000 0.906 747 V CB 1.629 33.367 31.823 -0.141 0.000 1.015 747 V HN 1.049 nan 8.190 nan 0.000 0.427 748 H N 3.996 123.033 119.070 -0.054 0.000 2.754 748 H HA 0.835 5.394 4.556 0.004 0.000 0.352 748 H C -0.893 174.373 175.328 -0.104 0.000 1.213 748 H CA -0.669 55.346 56.048 -0.055 0.000 1.244 748 H CB 2.228 31.974 29.762 -0.026 0.000 1.843 748 H HN 0.515 nan 8.280 nan 0.000 0.587 749 V N 1.133 121.052 119.914 0.008 0.000 2.569 749 V HA 0.268 4.391 4.120 0.004 0.000 0.301 749 V C -2.554 173.447 176.094 -0.155 0.000 1.044 749 V CA -1.843 60.352 62.300 -0.174 0.000 0.874 749 V CB 1.637 33.184 31.823 -0.460 0.000 1.002 749 V HN 0.561 nan 8.190 nan 0.000 0.424 750 P HA 0.317 nan 4.420 nan 0.000 0.269 750 P C 0.753 177.990 177.300 -0.104 0.000 1.252 750 P CA -0.022 63.039 63.100 -0.065 0.000 0.780 750 P CB 0.691 32.389 31.700 -0.003 0.000 0.829 751 L N 1.051 122.218 121.223 -0.094 0.000 2.034 751 L HA -0.018 4.325 4.340 0.004 0.000 0.203 751 L C 1.432 178.359 176.870 0.095 0.000 1.074 751 L CA 0.906 55.715 54.840 -0.052 0.000 0.748 751 L CB -0.807 41.196 42.059 -0.093 0.000 0.905 751 L HN 0.339 nan 8.230 nan 0.000 0.439 752 S N -0.401 115.347 115.700 0.080 0.000 2.573 752 S HA -0.001 4.471 4.470 0.004 0.000 0.277 752 S C 1.331 176.023 174.600 0.153 0.000 1.346 752 S CA -0.258 58.018 58.200 0.126 0.000 1.034 752 S CB 1.237 64.513 63.200 0.126 0.000 0.879 752 S HN 0.174 nan 8.310 nan 0.000 0.528 753 S N 2.648 118.441 115.700 0.154 0.000 2.474 753 S HA 0.013 4.485 4.470 0.004 0.000 0.235 753 S C 1.148 175.811 174.600 0.105 0.000 0.997 753 S CA 0.663 58.934 58.200 0.118 0.000 0.949 753 S CB -0.430 62.817 63.200 0.079 0.000 0.766 753 S HN 0.729 nan 8.310 nan 0.000 0.517 754 F N 1.869 121.832 119.950 0.023 0.000 2.118 754 F HA -0.003 4.526 4.527 0.003 0.000 0.293 754 F C 2.451 178.256 175.800 0.007 0.000 1.102 754 F CA 0.851 58.856 58.000 0.008 0.000 1.247 754 F CB -0.360 38.640 39.000 -0.001 0.000 1.017 754 F HN 0.204 nan 8.300 nan 0.000 0.475 755 A N -0.291 122.709 122.820 0.301 0.000 1.908 755 A HA -0.308 4.014 4.320 0.004 0.000 0.218 755 A C 1.941 179.598 177.584 0.122 0.000 1.181 755 A CA 2.035 54.170 52.037 0.164 0.000 0.627 755 A CB -0.998 18.049 19.000 0.079 0.000 0.818 755 A HN 0.512 nan 8.150 nan 0.000 0.445 756 Q N -0.235 119.627 119.800 0.104 0.000 2.084 756 Q HA -0.045 4.298 4.340 0.004 0.000 0.202 756 Q C 2.083 178.123 176.000 0.068 0.000 0.978 756 Q CA 2.134 57.981 55.803 0.074 0.000 0.844 756 Q CB -0.617 28.165 28.738 0.074 0.000 0.898 756 Q HN 0.573 nan 8.270 nan 0.000 0.426 757 A N 1.386 124.240 122.820 0.057 0.000 1.842 757 A HA -0.324 3.998 4.320 0.004 0.000 0.217 757 A C 1.970 179.579 177.584 0.042 0.000 1.206 757 A CA 2.317 54.362 52.037 0.015 0.000 0.630 757 A CB -1.230 17.724 19.000 -0.077 0.000 0.839 757 A HN 0.714 nan 8.150 nan 0.000 0.447 758 E N 0.029 120.280 120.200 0.085 0.000 2.097 758 E HA -0.162 4.190 4.350 0.004 0.000 0.196 758 E C 2.057 178.704 176.600 0.077 0.000 1.000 758 E CA 1.453 57.907 56.400 0.091 0.000 0.804 758 E CB -0.604 29.180 29.700 0.141 0.000 0.740 758 E HN 0.521 nan 8.360 nan 0.000 0.454 759 A N 2.160 125.029 122.820 0.081 0.000 1.978 759 A HA -0.201 4.122 4.320 0.004 0.000 0.220 759 A C 2.305 179.931 177.584 0.069 0.000 1.170 759 A CA 1.905 53.986 52.037 0.073 0.000 0.636 759 A CB -0.633 18.409 19.000 0.070 0.000 0.810 759 A HN 0.472 nan 8.150 nan 0.000 0.448 760 R N -1.361 119.181 120.500 0.070 0.000 2.308 760 R HA 0.385 4.727 4.340 0.004 0.000 0.202 760 R C 1.430 177.807 176.300 0.128 0.000 0.898 760 R CA 0.590 56.739 56.100 0.082 0.000 1.046 760 R CB -0.258 30.086 30.300 0.073 0.000 1.026 760 R HN 0.429 nan 8.270 nan 0.000 0.512 761 I N 1.544 122.167 120.570 0.088 0.000 2.385 761 I HA -0.118 4.054 4.170 0.004 0.000 0.244 761 I C 1.775 177.918 176.117 0.043 0.000 1.089 761 I CA 0.985 62.313 61.300 0.046 0.000 1.410 761 I CB 0.145 38.139 38.000 -0.010 0.000 1.117 761 I HN 0.245 nan 8.210 nan 0.000 0.429 762 Q N -0.616 119.217 119.800 0.054 0.000 2.194 762 Q HA 0.258 4.600 4.340 0.004 0.000 0.214 762 Q C 1.379 177.422 176.000 0.072 0.000 0.838 762 Q CA 0.105 55.936 55.803 0.046 0.000 0.972 762 Q CB 0.798 29.550 28.738 0.023 0.000 1.131 762 Q HN 0.408 nan 8.270 nan 0.000 0.498 763 M N 0.501 120.152 119.600 0.085 0.000 2.249 763 M HA 0.242 4.725 4.480 0.004 0.000 0.318 763 M C -0.104 176.209 176.300 0.020 0.000 0.930 763 M CA -0.427 54.909 55.300 0.061 0.000 1.080 763 M CB 1.002 33.644 32.600 0.070 0.000 1.797 763 M HN 0.377 nan 8.290 nan 0.000 0.619 764 L N -0.483 120.742 121.223 0.003 0.000 2.472 764 L HA 0.147 4.489 4.340 0.004 0.000 0.273 764 L C 1.182 177.872 176.870 -0.300 0.000 1.254 764 L CA 0.791 55.524 54.840 -0.179 0.000 0.823 764 L CB 0.454 42.388 42.059 -0.209 0.000 1.096 764 L HN 0.154 nan 8.230 nan 0.000 0.521 765 S N 1.881 117.222 115.700 -0.599 0.000 2.336 765 S HA -0.080 4.392 4.470 0.004 0.000 0.214 765 S C 1.902 176.267 174.600 -0.392 0.000 1.032 765 S CA 1.209 59.063 58.200 -0.576 0.000 1.001 765 S CB -0.971 61.647 63.200 -0.971 0.000 0.953 765 S HN 1.038 nan 8.310 nan 0.000 0.430 766 A N 1.176 123.731 122.820 -0.442 0.000 2.104 766 A HA -0.217 4.106 4.320 0.004 0.000 0.223 766 A C 1.871 179.323 177.584 -0.221 0.000 1.164 766 A CA 2.092 53.937 52.037 -0.322 0.000 0.659 766 A CB -1.095 17.710 19.000 -0.324 0.000 0.808 766 A HN 0.816 nan 8.150 nan 0.000 0.465 767 H N -0.600 118.419 119.070 -0.084 0.000 2.547 767 H HA 0.091 4.649 4.556 0.004 0.000 0.272 767 H C 0.046 175.356 175.328 -0.030 0.000 0.971 767 H CA 0.505 56.535 56.048 -0.030 0.000 1.245 767 H CB 0.103 29.848 29.762 -0.027 0.000 1.440 767 H HN 0.445 nan 8.280 nan 0.000 0.540 768 N N 1.715 120.422 118.700 0.012 0.000 3.194 768 N HA 0.116 4.859 4.740 0.004 0.000 0.271 768 N C 0.943 176.379 175.510 -0.123 0.000 1.308 768 N CA 0.008 53.029 53.050 -0.047 0.000 1.042 768 N CB 1.079 39.529 38.487 -0.062 0.000 1.310 768 N HN 0.241 nan 8.380 nan 0.000 0.502 769 L N -0.356 120.779 121.223 -0.145 0.000 2.127 769 L HA 0.181 4.523 4.340 0.004 0.000 0.203 769 L C 1.038 177.741 176.870 -0.278 0.000 1.080 769 L CA 0.773 55.487 54.840 -0.211 0.000 0.768 769 L CB -0.009 41.923 42.059 -0.212 0.000 0.924 769 L HN 0.244 nan 8.230 nan 0.000 0.444 770 L N 0.239 121.239 121.223 -0.371 0.000 2.439 770 L HA 0.158 4.500 4.340 0.004 0.000 0.261 770 L C 0.692 177.452 176.870 -0.183 0.000 1.153 770 L CA -0.268 54.397 54.840 -0.292 0.000 0.808 770 L CB 1.363 43.226 42.059 -0.327 0.000 1.126 770 L HN 0.161 nan 8.230 nan 0.000 0.460 771 S N 1.024 116.636 115.700 -0.146 0.000 2.554 771 S HA 0.336 4.809 4.470 0.004 0.000 0.278 771 S C -2.053 172.507 174.600 -0.067 0.000 1.242 771 S CA -1.220 56.902 58.200 -0.129 0.000 1.051 771 S CB 1.600 64.728 63.200 -0.119 0.000 0.986 771 S HN 0.352 nan 8.310 nan 0.000 0.502 772 P HA 0.096 nan 4.420 nan 0.000 0.230 772 P C 1.116 178.498 177.300 0.137 0.000 1.158 772 P CA 1.022 64.143 63.100 0.034 0.000 0.769 772 P CB 0.011 31.704 31.700 -0.011 0.000 0.807 773 A N -0.690 122.177 122.820 0.078 0.000 1.844 773 A HA 0.063 4.385 4.320 0.004 0.000 0.212 773 A C 1.135 178.801 177.584 0.136 0.000 1.221 773 A CA 1.270 53.404 52.037 0.162 0.000 0.607 773 A CB -0.775 18.265 19.000 0.066 0.000 0.878 773 A HN 0.285 nan 8.150 nan 0.000 0.451 774 S N -2.060 113.645 115.700 0.008 0.000 2.536 774 S HA 0.548 5.020 4.470 0.004 0.000 0.298 774 S C 0.691 175.195 174.600 -0.158 0.000 1.083 774 S CA -0.076 58.073 58.200 -0.085 0.000 0.995 774 S CB 1.501 64.643 63.200 -0.098 0.000 1.058 774 S HN 0.726 nan 8.310 nan 0.000 0.488 775 G N 0.631 109.241 108.800 -0.317 0.000 2.990 775 G HA2 0.127 4.090 3.960 0.004 0.000 0.206 775 G HA3 0.127 4.090 3.960 0.004 0.000 0.206 775 G C 0.108 174.853 174.900 -0.259 0.000 1.169 775 G CA -0.025 44.871 45.100 -0.340 0.000 0.819 775 G HN 0.625 nan 8.290 nan 0.000 0.517 776 E N 0.829 120.880 120.200 -0.249 0.000 2.349 776 E HA 0.301 4.653 4.350 0.004 0.000 0.265 776 E C -2.302 174.226 176.600 -0.120 0.000 1.064 776 E CA -2.819 53.444 56.400 -0.228 0.000 0.886 776 E CB 0.705 30.297 29.700 -0.181 0.000 1.036 776 E HN 0.032 nan 8.360 nan 0.000 0.413 777 P HA 0.110 nan 4.420 nan 0.000 0.272 777 P C 0.149 177.401 177.300 -0.079 0.000 1.240 777 P CA -0.301 62.757 63.100 -0.069 0.000 0.791 777 P CB 0.571 32.268 31.700 -0.005 0.000 0.978 778 L N 0.449 121.613 121.223 -0.099 0.000 2.966 778 L HA 0.365 4.708 4.340 0.004 0.000 0.262 778 L C 1.312 178.142 176.870 -0.066 0.000 1.165 778 L CA 0.525 55.311 54.840 -0.089 0.000 0.978 778 L CB -0.419 41.559 42.059 -0.135 0.000 1.337 778 L HN 0.367 nan 8.230 nan 0.000 0.563 779 A N -0.430 122.355 122.820 -0.058 0.000 2.684 779 A HA 0.255 4.577 4.320 0.004 0.000 0.288 779 A C 0.548 178.137 177.584 0.008 0.000 1.337 779 A CA -0.379 51.641 52.037 -0.028 0.000 0.946 779 A CB -0.657 18.316 19.000 -0.045 0.000 1.093 779 A HN 0.161 nan 8.150 nan 0.000 0.543 780 K N 1.243 121.649 120.400 0.010 0.000 2.382 780 K HA 0.288 4.610 4.320 0.004 0.000 0.275 780 K C -2.643 173.980 176.600 0.039 0.000 1.009 780 K CA -1.387 54.917 56.287 0.028 0.000 0.970 780 K CB 0.094 32.606 32.500 0.021 0.000 0.934 780 K HN 0.105 nan 8.250 nan 0.000 0.479 781 P HA -0.023 nan 4.420 nan 0.000 0.264 781 P C -0.508 176.821 177.300 0.047 0.000 1.193 781 P CA 0.279 63.401 63.100 0.037 0.000 0.763 781 P CB 0.959 32.682 31.700 0.039 0.000 0.810 782 S N 1.997 117.735 115.700 0.065 0.000 2.646 782 S HA 0.161 4.634 4.470 0.004 0.000 0.273 782 S C 1.727 176.383 174.600 0.094 0.000 1.168 782 S CA -0.689 57.561 58.200 0.084 0.000 1.013 782 S CB 0.393 63.663 63.200 0.117 0.000 1.098 782 S HN 0.390 nan 8.310 nan 0.000 0.544 783 R N 0.766 121.319 120.500 0.089 0.000 2.119 783 R HA -0.192 4.150 4.340 0.004 0.000 0.246 783 R C 1.270 177.633 176.300 0.105 0.000 1.146 783 R CA 2.172 58.315 56.100 0.072 0.000 0.962 783 R CB -0.797 29.537 30.300 0.057 0.000 0.863 783 R HN 0.520 nan 8.270 nan 0.000 0.442 784 D N 0.348 120.862 120.400 0.191 0.000 2.103 784 D HA -0.044 4.599 4.640 0.004 0.000 0.199 784 D C 1.836 178.319 176.300 0.305 0.000 0.978 784 D CA 0.851 55.012 54.000 0.268 0.000 0.829 784 D CB 0.052 41.099 40.800 0.410 0.000 0.981 784 D HN 0.085 nan 8.370 nan 0.000 0.464 785 I N 0.529 121.248 120.570 0.249 0.000 2.127 785 I HA -0.221 3.951 4.170 0.004 0.000 0.241 785 I C 2.254 178.435 176.117 0.106 0.000 1.075 785 I CA 0.998 62.343 61.300 0.074 0.000 1.334 785 I CB -0.382 37.566 38.000 -0.086 0.000 1.040 785 I HN 0.108 nan 8.210 nan 0.000 0.405 786 I N -0.440 120.184 120.570 0.089 0.000 2.286 786 I HA -0.269 3.904 4.170 0.004 0.000 0.248 786 I C 2.414 178.593 176.117 0.104 0.000 1.115 786 I CA 0.909 62.258 61.300 0.081 0.000 1.392 786 I CB -0.387 37.645 38.000 0.053 0.000 1.065 786 I HN 0.241 nan 8.210 nan 0.000 0.418 787 L N 1.326 122.598 121.223 0.081 0.000 2.079 787 L HA -0.123 4.219 4.340 0.004 0.000 0.210 787 L C 2.295 179.245 176.870 0.133 0.000 1.081 787 L CA 2.206 57.081 54.840 0.059 0.000 0.752 787 L CB -1.424 40.647 42.059 0.020 0.000 0.896 787 L HN 0.203 nan 8.230 nan 0.000 0.433 788 G N -0.888 108.010 108.800 0.164 0.000 2.404 788 G HA2 -0.175 3.788 3.960 0.004 0.000 0.214 788 G HA3 -0.175 3.788 3.960 0.004 0.000 0.214 788 G C 1.568 176.623 174.900 0.260 0.000 1.189 788 G CA 0.703 45.944 45.100 0.235 0.000 0.789 788 G HN 0.419 nan 8.290 nan 0.000 0.533 789 L N -0.827 120.520 121.223 0.207 0.000 2.265 789 L HA -0.032 4.310 4.340 0.004 0.000 0.215 789 L C 2.505 179.359 176.870 -0.027 0.000 1.117 789 L CA 0.785 55.669 54.840 0.073 0.000 0.782 789 L CB -0.366 41.700 42.059 0.012 0.000 0.914 789 L HN 0.294 nan 8.230 nan 0.000 0.441 790 Y N -0.293 119.979 120.300 -0.046 0.000 2.163 790 Y HA -0.282 4.270 4.550 0.004 0.000 0.288 790 Y C 2.710 178.595 175.900 -0.026 0.000 1.112 790 Y CA 1.230 59.296 58.100 -0.057 0.000 1.104 790 Y CB -0.672 37.775 38.460 -0.023 0.000 1.016 790 Y HN 0.047 nan 8.280 nan 0.000 0.497 791 Y N 0.834 121.256 120.300 0.204 0.000 2.096 791 Y HA -0.407 4.146 4.550 0.004 0.000 0.276 791 Y C 2.463 178.280 175.900 -0.139 0.000 1.209 791 Y CA 2.432 60.533 58.100 0.002 0.000 1.137 791 Y CB -0.805 37.608 38.460 -0.079 0.000 0.956 791 Y HN 0.368 nan 8.280 nan 0.000 0.506 792 I N -0.343 120.138 120.570 -0.149 0.000 2.394 792 I HA -0.236 3.936 4.170 0.004 0.000 0.251 792 I C 2.024 177.962 176.117 -0.299 0.000 1.136 792 I CA 2.150 63.233 61.300 -0.361 0.000 1.425 792 I CB -0.334 37.256 38.000 -0.683 0.000 1.079 792 I HN 0.568 nan 8.210 nan 0.000 0.425 793 T N -1.927 112.463 114.554 -0.272 0.000 3.086 793 T HA 0.045 4.398 4.350 0.004 0.000 0.250 793 T C 0.744 175.314 174.700 -0.216 0.000 1.074 793 T CA -0.306 61.653 62.100 -0.235 0.000 0.988 793 T CB -0.063 68.626 68.868 -0.299 0.000 0.988 793 T HN 0.248 nan 8.240 nan 0.000 0.530 794 Q N 1.591 121.283 119.800 -0.179 0.000 2.259 794 Q HA 0.498 4.840 4.340 0.004 0.000 0.246 794 Q C -0.916 175.097 176.000 0.023 0.000 0.920 794 Q CA -0.519 55.239 55.803 -0.077 0.000 0.895 794 Q CB 1.379 30.225 28.738 0.180 0.000 1.220 794 Q HN 0.266 nan 8.270 nan 0.000 0.439 795 V N 4.363 124.249 119.914 -0.047 0.000 2.472 795 V HA 0.541 4.663 4.120 0.004 0.000 0.290 795 V C 0.064 176.099 176.094 -0.098 0.000 1.037 795 V CA -0.677 61.601 62.300 -0.037 0.000 0.908 795 V CB 1.369 33.168 31.823 -0.040 0.000 0.985 795 V HN 0.749 nan 8.190 nan 0.000 0.454 796 R N 2.970 123.441 120.500 -0.050 0.000 2.598 796 R HA 0.742 5.084 4.340 0.004 0.000 0.279 796 R C -1.044 175.220 176.300 -0.060 0.000 0.984 796 R CA -0.936 55.106 56.100 -0.096 0.000 0.999 796 R CB 1.558 31.870 30.300 0.019 0.000 1.114 796 R HN 0.617 nan 8.270 nan 0.000 0.493 797 K N 0.574 120.930 120.400 -0.073 0.000 2.422 797 K HA 0.212 4.534 4.320 0.004 0.000 0.251 797 K C -0.055 176.527 176.600 -0.030 0.000 0.933 797 K CA -0.619 55.641 56.287 -0.045 0.000 0.798 797 K CB 2.745 35.212 32.500 -0.055 0.000 1.238 797 K HN 0.652 nan 8.250 nan 0.000 0.428 798 E N 1.997 122.186 120.200 -0.018 0.000 3.635 798 E HA 0.139 4.492 4.350 0.004 0.000 0.183 798 E C -0.775 175.816 176.600 -0.015 0.000 1.263 798 E CA -0.038 56.358 56.400 -0.008 0.000 1.427 798 E CB 0.812 30.517 29.700 0.009 0.000 1.724 798 E HN 0.336 nan 8.360 nan 0.000 0.520 799 K N 0.675 121.064 120.400 -0.018 0.000 2.553 799 K HA 0.253 4.575 4.320 0.004 0.000 0.250 799 K C -1.782 174.799 176.600 -0.033 0.000 0.953 799 K CA -0.672 55.602 56.287 -0.022 0.000 0.800 799 K CB 1.909 34.401 32.500 -0.014 0.000 1.243 799 K HN -0.036 nan 8.250 nan 0.000 0.435 800 K N 3.529 123.907 120.400 -0.037 0.000 2.575 800 K HA 0.314 4.636 4.320 0.004 0.000 0.236 800 K C -0.392 176.181 176.600 -0.045 0.000 0.976 800 K CA -0.261 55.997 56.287 -0.049 0.000 0.985 800 K CB 1.350 33.822 32.500 -0.047 0.000 1.198 800 K HN 0.919 nan 8.250 nan 0.000 0.464 801 G N 1.804 110.575 108.800 -0.048 0.000 2.768 801 G HA2 0.217 4.179 3.960 0.004 0.000 0.201 801 G HA3 0.217 4.179 3.960 0.004 0.000 0.201 801 G C -0.015 174.857 174.900 -0.046 0.000 1.089 801 G CA 0.162 45.239 45.100 -0.038 0.000 0.787 801 G HN 0.575 nan 8.290 nan 0.000 0.547 802 A N 0.401 123.180 122.820 -0.068 0.000 2.325 802 A HA 0.702 5.025 4.320 0.004 0.000 0.333 802 A C 0.916 178.403 177.584 -0.161 0.000 1.155 802 A CA 0.079 52.064 52.037 -0.086 0.000 0.814 802 A CB 0.427 19.381 19.000 -0.076 0.000 1.206 802 A HN 1.188 nan 8.150 nan 0.000 0.482 803 G N -0.067 108.648 108.800 -0.142 0.000 2.732 803 G HA2 0.121 4.083 3.960 0.004 0.000 0.251 803 G HA3 0.121 4.083 3.960 0.004 0.000 0.251 803 G C 0.472 175.186 174.900 -0.309 0.000 0.628 803 G CA 0.722 45.724 45.100 -0.163 0.000 1.066 803 G HN 1.778 nan 8.290 nan 0.000 0.296 804 L N -1.148 120.002 121.223 -0.122 0.000 3.069 804 L HA 0.453 4.795 4.340 0.004 0.000 0.271 804 L C 0.750 177.649 176.870 0.050 0.000 1.201 804 L CA -0.323 54.476 54.840 -0.069 0.000 1.015 804 L CB 0.456 42.489 42.059 -0.042 0.000 1.371 804 L HN 0.444 nan 8.230 nan 0.000 0.574 805 E N 0.501 120.773 120.200 0.120 0.000 2.354 805 E HA 0.003 4.356 4.350 0.004 0.000 0.260 805 E C 0.720 177.441 176.600 0.203 0.000 1.405 805 E CA -0.253 56.227 56.400 0.132 0.000 1.728 805 E CB -0.002 29.758 29.700 0.101 0.000 1.471 805 E HN 0.472 nan 8.360 nan 0.000 0.441 806 F N 2.418 122.445 119.950 0.129 0.000 2.333 806 F HA -0.067 4.462 4.527 0.004 0.000 0.300 806 F C 2.061 177.878 175.800 0.028 0.000 1.083 806 F CA 0.617 58.666 58.000 0.081 0.000 1.395 806 F CB -0.154 38.887 39.000 0.068 0.000 1.056 806 F HN 0.207 nan 8.300 nan 0.000 0.529 807 A N -0.013 122.652 122.820 -0.258 0.000 1.985 807 A HA -0.335 3.987 4.320 0.004 0.000 0.223 807 A C 2.164 179.494 177.584 -0.423 0.000 1.189 807 A CA 3.223 55.044 52.037 -0.360 0.000 0.658 807 A CB -1.397 17.514 19.000 -0.149 0.000 0.820 807 A HN 0.570 nan 8.150 nan 0.000 0.464 808 T N -4.066 110.312 114.554 -0.294 0.000 3.205 808 T HA 0.297 4.650 4.350 0.004 0.000 0.238 808 T C -1.706 172.893 174.700 -0.168 0.000 0.974 808 T CA -0.037 61.939 62.100 -0.206 0.000 1.246 808 T CB -1.518 67.291 68.868 -0.099 0.000 1.007 808 T HN 0.310 nan 8.240 nan 0.000 0.414 809 P HA 0.293 nan 4.420 nan 0.000 0.271 809 P C 0.351 177.712 177.300 0.103 0.000 1.218 809 P CA -0.254 62.845 63.100 -0.001 0.000 0.780 809 P CB 0.743 32.447 31.700 0.006 0.000 0.901 810 E N 0.550 120.805 120.200 0.091 0.000 2.385 810 E HA -0.105 4.248 4.350 0.004 0.000 0.194 810 E C 1.356 177.998 176.600 0.070 0.000 1.013 810 E CA 0.347 56.837 56.400 0.150 0.000 0.866 810 E CB -0.171 29.578 29.700 0.081 0.000 0.832 810 E HN 0.550 nan 8.360 nan 0.000 0.500 811 E N 0.748 120.957 120.200 0.014 0.000 2.371 811 E HA 0.025 4.378 4.350 0.004 0.000 0.194 811 E C 1.827 178.341 176.600 -0.144 0.000 1.012 811 E CA 0.645 57.015 56.400 -0.050 0.000 0.860 811 E CB 0.064 29.738 29.700 -0.044 0.000 0.811 811 E HN 0.370 nan 8.360 nan 0.000 0.502 812 A N 0.735 123.488 122.820 -0.112 0.000 1.968 812 A HA -0.083 4.239 4.320 0.004 0.000 0.217 812 A C 2.078 179.512 177.584 -0.249 0.000 1.169 812 A CA 1.089 52.936 52.037 -0.317 0.000 0.638 812 A CB -0.446 18.587 19.000 0.054 0.000 0.812 812 A HN 0.373 nan 8.150 nan 0.000 0.446 813 L N -1.678 119.496 121.223 -0.082 0.000 2.023 813 L HA 0.221 4.564 4.340 0.004 0.000 0.205 813 L C 2.408 179.103 176.870 -0.291 0.000 1.073 813 L CA 2.056 56.614 54.840 -0.470 0.000 0.745 813 L CB -1.382 40.358 42.059 -0.532 0.000 0.900 813 L HN 0.147 nan 8.230 nan 0.000 0.435 814 A N 0.631 123.344 122.820 -0.177 0.000 1.835 814 A HA -0.022 4.301 4.320 0.004 0.000 0.215 814 A C 2.568 180.085 177.584 -0.112 0.000 1.199 814 A CA 2.488 54.450 52.037 -0.126 0.000 0.615 814 A CB -1.491 17.460 19.000 -0.082 0.000 0.838 814 A HN 0.644 nan 8.150 nan 0.000 0.444 815 A N -1.001 121.741 122.820 -0.130 0.000 1.873 815 A HA -0.240 4.083 4.320 0.004 0.000 0.218 815 A C 1.968 179.572 177.584 0.032 0.000 1.193 815 A CA 1.994 53.986 52.037 -0.075 0.000 0.629 815 A CB -1.047 17.881 19.000 -0.120 0.000 0.826 815 A HN 0.667 nan 8.150 nan 0.000 0.447 816 H N -0.772 118.270 119.070 -0.046 0.000 2.559 816 H HA 0.090 4.649 4.556 0.004 0.000 0.273 816 H C 1.719 176.990 175.328 -0.094 0.000 1.000 816 H CA 0.972 56.987 56.048 -0.054 0.000 1.195 816 H CB -0.003 29.738 29.762 -0.035 0.000 1.368 816 H HN 0.621 nan 8.280 nan 0.000 0.592 817 E N 0.640 120.825 120.200 -0.026 0.000 2.276 817 E HA -0.001 4.352 4.350 0.004 0.000 0.193 817 E C 1.514 178.081 176.600 -0.055 0.000 0.983 817 E CA 0.085 56.433 56.400 -0.086 0.000 0.861 817 E CB 0.463 30.074 29.700 -0.148 0.000 0.817 817 E HN 0.432 nan 8.360 nan 0.000 0.485 818 R N -0.747 119.735 120.500 -0.030 0.000 2.173 818 R HA 0.094 4.436 4.340 0.004 0.000 0.208 818 R C 2.304 178.605 176.300 0.001 0.000 1.035 818 R CA 0.807 56.898 56.100 -0.016 0.000 1.004 818 R CB -0.180 30.113 30.300 -0.013 0.000 0.917 818 R HN 0.010 nan 8.270 nan 0.000 0.462 819 G N 1.136 109.949 108.800 0.020 0.000 2.443 819 G HA2 -0.242 3.720 3.960 0.004 0.000 0.219 819 G HA3 -0.242 3.720 3.960 0.004 0.000 0.219 819 G C 1.349 176.252 174.900 0.005 0.000 1.131 819 G CA 0.279 45.394 45.100 0.026 0.000 0.775 819 G HN 0.174 nan 8.290 nan 0.000 0.547 820 E N 0.795 120.991 120.200 -0.007 0.000 2.046 820 E HA -0.063 4.290 4.350 0.004 0.000 0.190 820 E C 2.737 179.328 176.600 -0.014 0.000 0.982 820 E CA 0.668 57.054 56.400 -0.022 0.000 0.800 820 E CB -0.407 29.262 29.700 -0.051 0.000 0.756 820 E HN 0.207 nan 8.360 nan 0.000 0.449 821 V N 1.805 121.710 119.914 -0.014 0.000 2.453 821 V HA -0.229 3.893 4.120 0.004 0.000 0.252 821 V C 1.908 178.006 176.094 0.007 0.000 1.068 821 V CA 1.428 63.727 62.300 -0.001 0.000 1.070 821 V CB -0.966 30.855 31.823 -0.003 0.000 0.664 821 V HN 0.326 nan 8.190 nan 0.000 0.461 822 A N -0.477 122.346 122.820 0.004 0.000 2.645 822 A HA 0.374 4.696 4.320 0.004 0.000 0.245 822 A C 1.167 178.755 177.584 0.008 0.000 1.758 822 A CA 0.396 52.438 52.037 0.008 0.000 0.850 822 A CB -0.038 18.967 19.000 0.008 0.000 1.656 822 A HN 0.280 nan 8.150 nan 0.000 0.641 823 L N -1.044 120.183 121.223 0.007 0.000 2.638 823 L HA 0.154 4.496 4.340 0.004 0.000 0.232 823 L C 2.045 178.916 176.870 0.001 0.000 1.099 823 L CA 0.319 55.164 54.840 0.007 0.000 0.883 823 L CB -0.277 41.788 42.059 0.010 0.000 1.136 823 L HN 0.808 nan 8.230 nan 0.000 0.492 824 N N 0.596 119.295 118.700 -0.002 0.000 2.080 824 N HA -0.026 4.716 4.740 0.004 0.000 0.189 824 N C 0.766 176.261 175.510 -0.025 0.000 1.036 824 N CA 0.762 53.805 53.050 -0.012 0.000 0.846 824 N CB 0.245 38.727 38.487 -0.009 0.000 1.015 824 N HN 0.242 nan 8.380 nan 0.000 0.423 825 A N 1.144 123.948 122.820 -0.027 0.000 2.288 825 A HA 0.536 4.858 4.320 0.004 0.000 0.320 825 A C -2.484 175.081 177.584 -0.032 0.000 1.217 825 A CA -1.405 50.606 52.037 -0.043 0.000 0.840 825 A CB 1.283 20.249 19.000 -0.057 0.000 1.179 825 A HN 0.109 nan 8.150 nan 0.000 0.504 826 P HA 0.236 nan 4.420 nan 0.000 0.275 826 P C 0.494 177.777 177.300 -0.029 0.000 1.266 826 P CA -0.342 62.747 63.100 -0.018 0.000 0.793 826 P CB 0.500 32.194 31.700 -0.011 0.000 1.074 827 I N -0.387 120.171 120.570 -0.018 0.000 3.111 827 I HA -0.080 4.093 4.170 0.004 0.000 0.272 827 I C 0.884 176.986 176.117 -0.025 0.000 1.268 827 I CA 1.256 62.536 61.300 -0.034 0.000 1.467 827 I CB -0.806 37.196 38.000 0.004 0.000 1.087 827 I HN 0.258 nan 8.210 nan 0.000 0.467 828 K N 0.259 120.651 120.400 -0.013 0.000 2.992 828 K HA 0.559 4.881 4.320 0.004 0.000 0.178 828 K C -1.218 175.372 176.600 -0.016 0.000 1.122 828 K CA -0.353 55.928 56.287 -0.009 0.000 0.926 828 K CB 0.803 33.304 32.500 0.002 0.000 1.121 828 K HN -0.168 nan 8.250 nan 0.000 0.610 829 V N 1.025 120.926 119.914 -0.021 0.000 2.612 829 V HA 0.475 4.597 4.120 0.004 0.000 0.301 829 V C 0.545 176.628 176.094 -0.018 0.000 1.046 829 V CA -1.038 61.247 62.300 -0.026 0.000 0.946 829 V CB 1.649 33.447 31.823 -0.041 0.000 1.003 829 V HN 0.717 nan 8.190 nan 0.000 0.459 830 A N 3.055 125.861 122.820 -0.022 0.000 2.618 830 A HA 0.514 4.836 4.320 0.004 0.000 0.293 830 A C 0.764 178.343 177.584 -0.009 0.000 1.413 830 A CA 0.593 52.621 52.037 -0.015 0.000 1.074 830 A CB -0.922 18.066 19.000 -0.019 0.000 1.087 830 A HN 1.248 nan 8.150 nan 0.000 0.553 831 G N 2.244 111.050 108.800 0.009 0.000 3.329 831 G HA2 0.417 4.379 3.960 0.004 0.000 0.313 831 G HA3 0.417 4.379 3.960 0.004 0.000 0.313 831 G C 0.492 175.421 174.900 0.049 0.000 1.611 831 G CA -0.491 44.630 45.100 0.035 0.000 0.991 831 G HN 0.701 nan 8.290 nan 0.000 0.508 832 R N 1.066 121.584 120.500 0.030 0.000 2.572 832 R HA -0.315 4.027 4.340 0.004 0.000 0.187 832 R C 2.285 178.603 176.300 0.031 0.000 0.912 832 R CA 2.643 58.755 56.100 0.021 0.000 0.473 832 R CB -0.483 29.821 30.300 0.007 0.000 0.727 832 R HN 0.496 nan 8.270 nan 0.000 0.296 833 E N -0.956 119.261 120.200 0.028 0.000 2.019 833 E HA -0.103 4.250 4.350 0.004 0.000 0.208 833 E C 0.284 176.935 176.600 0.084 0.000 1.030 833 E CA 2.237 58.659 56.400 0.037 0.000 0.856 833 E CB -0.257 29.438 29.700 -0.009 0.000 0.781 833 E HN 0.732 nan 8.360 nan 0.000 0.471 834 T N -1.586 113.062 114.554 0.157 0.000 3.011 834 T HA 0.503 4.856 4.350 0.004 0.000 0.303 834 T C -0.237 174.537 174.700 0.123 0.000 0.997 834 T CA -0.675 61.511 62.100 0.143 0.000 1.007 834 T CB 1.548 70.518 68.868 0.170 0.000 1.017 834 T HN 0.136 nan 8.240 nan 0.000 0.443 835 S N 1.870 117.600 115.700 0.050 0.000 2.584 835 S HA 0.183 4.656 4.470 0.004 0.000 0.270 835 S C 1.698 176.274 174.600 -0.040 0.000 1.346 835 S CA -0.233 57.975 58.200 0.014 0.000 1.018 835 S CB 1.127 64.323 63.200 -0.007 0.000 0.899 835 S HN 1.084 nan 8.310 nan 0.000 0.542 836 V N 2.659 122.532 119.914 -0.070 0.000 2.660 836 V HA -0.072 4.050 4.120 0.004 0.000 0.257 836 V C 2.074 178.041 176.094 -0.211 0.000 1.088 836 V CA 2.574 64.786 62.300 -0.146 0.000 1.106 836 V CB -1.533 30.218 31.823 -0.121 0.000 0.686 836 V HN 1.079 nan 8.190 nan 0.000 0.481 837 G N -0.363 108.338 108.800 -0.165 0.000 2.448 837 G HA2 -0.245 3.718 3.960 0.004 0.000 0.219 837 G HA3 -0.245 3.718 3.960 0.004 0.000 0.219 837 G C 1.591 176.352 174.900 -0.232 0.000 1.127 837 G CA 0.866 45.840 45.100 -0.211 0.000 0.766 837 G HN 0.536 nan 8.290 nan 0.000 0.552 838 R N -0.969 119.441 120.500 -0.149 0.000 2.156 838 R HA 0.328 4.670 4.340 0.004 0.000 0.207 838 R C 2.274 178.478 176.300 -0.160 0.000 1.040 838 R CA -0.055 55.979 56.100 -0.110 0.000 1.013 838 R CB -0.706 29.578 30.300 -0.026 0.000 0.931 838 R HN 0.279 nan 8.270 nan 0.000 0.465 839 L N 1.184 122.285 121.223 -0.203 0.000 2.046 839 L HA -0.136 4.206 4.340 0.004 0.000 0.208 839 L C 1.723 178.436 176.870 -0.262 0.000 1.077 839 L CA 1.847 56.538 54.840 -0.248 0.000 0.747 839 L CB -0.165 41.682 42.059 -0.353 0.000 0.896 839 L HN 0.054 nan 8.230 nan 0.000 0.432 840 K N -1.549 118.623 120.400 -0.380 0.000 2.026 840 K HA -0.101 4.222 4.320 0.004 0.000 0.208 840 K C -0.205 176.230 176.600 -0.276 0.000 1.048 840 K CA 1.167 57.176 56.287 -0.462 0.000 0.929 840 K CB -0.122 31.812 32.500 -0.943 0.000 0.713 840 K HN 0.249 nan 8.250 nan 0.000 0.439 841 Y N 0.323 120.496 120.300 -0.211 0.000 2.341 841 Y HA 0.397 4.949 4.550 0.004 0.000 0.338 841 Y C -0.583 175.029 175.900 -0.481 0.000 0.965 841 Y CA -1.456 56.409 58.100 -0.393 0.000 1.108 841 Y CB 1.797 39.980 38.460 -0.463 0.000 1.180 841 Y HN -0.354 nan 8.280 nan 0.000 0.458 842 V N 4.085 123.777 119.914 -0.369 0.000 2.483 842 V HA 0.397 4.520 4.120 0.004 0.000 0.297 842 V C -0.859 175.016 176.094 -0.365 0.000 1.027 842 V CA -1.148 60.971 62.300 -0.301 0.000 0.855 842 V CB 1.304 33.057 31.823 -0.117 0.000 0.995 842 V HN 0.595 nan 8.190 nan 0.000 0.424 843 F N 2.310 122.288 119.950 0.047 0.000 2.427 843 F HA 0.700 5.229 4.527 0.004 0.000 0.346 843 F C 1.194 176.996 175.800 0.002 0.000 1.120 843 F CA -0.406 57.605 58.000 0.018 0.000 1.033 843 F CB 2.007 41.016 39.000 0.014 0.000 1.126 843 F HN 0.638 nan 8.300 nan 0.000 0.462 844 A N 3.204 126.139 122.820 0.191 0.000 1.889 844 A HA -0.097 4.226 4.320 0.004 0.000 0.209 844 A C 0.892 178.507 177.584 0.052 0.000 1.315 844 A CA 0.839 52.929 52.037 0.088 0.000 0.611 844 A CB -0.656 18.377 19.000 0.055 0.000 0.950 844 A HN 0.713 nan 8.150 nan 0.000 0.477 845 N N -0.245 118.463 118.700 0.014 0.000 2.371 845 N HA 0.219 4.962 4.740 0.004 0.000 0.243 845 N C -1.992 173.471 175.510 -0.079 0.000 1.287 845 N CA -1.127 51.892 53.050 -0.052 0.000 0.911 845 N CB 0.550 39.003 38.487 -0.056 0.000 1.142 845 N HN -0.042 nan 8.380 nan 0.000 0.451 846 P HA -0.069 nan 4.420 nan 0.000 0.214 846 P C 0.201 177.407 177.300 -0.156 0.000 1.163 846 P CA 1.395 64.380 63.100 -0.193 0.000 0.883 846 P CB 0.124 31.637 31.700 -0.312 0.000 0.788 847 D N -0.602 119.718 120.400 -0.134 0.000 2.133 847 D HA -0.218 4.424 4.640 0.004 0.000 0.192 847 D C 1.901 178.100 176.300 -0.168 0.000 1.001 847 D CA 1.168 55.098 54.000 -0.117 0.000 0.844 847 D CB -0.520 40.232 40.800 -0.080 0.000 0.944 847 D HN 0.215 nan 8.370 nan 0.000 0.447 848 E N 0.311 120.420 120.200 -0.153 0.000 2.136 848 E HA -0.333 4.019 4.350 0.004 0.000 0.208 848 E C 2.168 178.441 176.600 -0.544 0.000 1.035 848 E CA 1.478 57.773 56.400 -0.174 0.000 0.838 848 E CB -0.449 29.250 29.700 -0.002 0.000 0.748 848 E HN 0.400 nan 8.360 nan 0.000 0.459 849 A N 0.529 122.881 122.820 -0.779 0.000 1.933 849 A HA -0.138 4.184 4.320 0.004 0.000 0.218 849 A C 2.239 179.338 177.584 -0.807 0.000 1.175 849 A CA 1.279 52.441 52.037 -1.458 0.000 0.628 849 A CB -0.346 18.262 19.000 -0.654 0.000 0.814 849 A HN 0.134 nan 8.150 nan 0.000 0.444 850 L N -0.518 120.469 121.223 -0.393 0.000 2.270 850 L HA 0.071 4.413 4.340 0.004 0.000 0.210 850 L C 2.246 179.033 176.870 -0.139 0.000 1.104 850 L CA 0.714 55.437 54.840 -0.194 0.000 0.804 850 L CB -0.457 41.552 42.059 -0.084 0.000 0.937 850 L HN 0.307 nan 8.230 nan 0.000 0.450 851 L N -0.683 120.445 121.223 -0.158 0.000 2.093 851 L HA -0.149 4.193 4.340 0.004 0.000 0.208 851 L C 2.718 179.572 176.870 -0.025 0.000 1.085 851 L CA 1.142 55.947 54.840 -0.058 0.000 0.755 851 L CB -0.917 41.108 42.059 -0.057 0.000 0.904 851 L HN 0.287 nan 8.230 nan 0.000 0.435 852 A N 0.016 122.761 122.820 -0.125 0.000 1.933 852 A HA -0.131 4.191 4.320 0.004 0.000 0.218 852 A C 2.360 179.954 177.584 0.015 0.000 1.175 852 A CA 1.620 53.631 52.037 -0.042 0.000 0.628 852 A CB -0.717 18.291 19.000 0.013 0.000 0.814 852 A HN 0.195 nan 8.150 nan 0.000 0.444 853 V N -0.089 119.806 119.914 -0.031 0.000 2.233 853 V HA -0.281 3.841 4.120 0.004 0.000 0.247 853 V C 3.055 179.175 176.094 0.043 0.000 1.050 853 V CA 2.079 64.387 62.300 0.013 0.000 1.010 853 V CB -1.363 30.456 31.823 -0.006 0.000 0.637 853 V HN 0.606 nan 8.190 nan 0.000 0.444 854 A N -1.692 121.154 122.820 0.043 0.000 2.024 854 A HA -0.268 4.055 4.320 0.004 0.000 0.220 854 A C 2.099 179.703 177.584 0.034 0.000 1.164 854 A CA 1.764 53.826 52.037 0.041 0.000 0.643 854 A CB -0.801 18.224 19.000 0.041 0.000 0.806 854 A HN 0.715 nan 8.150 nan 0.000 0.451 855 H N -1.605 117.458 119.070 -0.012 0.000 2.548 855 H HA 0.173 4.731 4.556 0.004 0.000 0.265 855 H C 1.604 176.930 175.328 -0.003 0.000 0.969 855 H CA 0.885 56.928 56.048 -0.009 0.000 1.155 855 H CB 0.210 29.962 29.762 -0.017 0.000 1.394 855 H HN 0.629 nan 8.280 nan 0.000 0.570 856 G N 0.922 109.775 108.800 0.089 0.000 2.131 856 G HA2 -0.205 3.758 3.960 0.004 0.000 0.223 856 G HA3 -0.205 3.758 3.960 0.004 0.000 0.223 856 G C 0.960 175.898 174.900 0.063 0.000 0.990 856 G CA 0.349 45.487 45.100 0.064 0.000 0.671 856 G HN 0.291 nan 8.290 nan 0.000 0.521 857 I N 0.127 120.725 120.570 0.046 0.000 2.585 857 I HA 0.155 4.327 4.170 0.004 0.000 0.254 857 I C 1.386 177.518 176.117 0.025 0.000 1.129 857 I CA 1.759 63.045 61.300 -0.023 0.000 1.455 857 I CB -0.058 37.847 38.000 -0.158 0.000 1.111 857 I HN 0.501 nan 8.210 nan 0.000 0.433 858 V N -1.143 118.814 119.914 0.071 0.000 2.623 858 V HA 0.515 4.637 4.120 0.004 0.000 0.304 858 V C -0.869 175.290 176.094 0.108 0.000 1.054 858 V CA -1.223 61.163 62.300 0.144 0.000 0.882 858 V CB 1.861 33.824 31.823 0.232 0.000 1.002 858 V HN -0.084 nan 8.190 nan 0.000 0.424 859 D N 2.635 123.101 120.400 0.109 0.000 2.368 859 D HA 0.337 4.980 4.640 0.004 0.000 0.240 859 D C 1.200 177.532 176.300 0.054 0.000 1.169 859 D CA -0.149 53.895 54.000 0.074 0.000 0.906 859 D CB 1.502 42.347 40.800 0.074 0.000 1.187 859 D HN 0.565 nan 8.370 nan 0.000 0.435 860 L N 0.542 121.771 121.223 0.011 0.000 2.141 860 L HA -0.195 4.148 4.340 0.004 0.000 0.209 860 L C 1.648 178.499 176.870 -0.032 0.000 1.094 860 L CA 1.237 56.065 54.840 -0.021 0.000 0.763 860 L CB -0.168 41.848 42.059 -0.071 0.000 0.908 860 L HN 0.297 nan 8.230 nan 0.000 0.437 861 Q N -0.818 118.958 119.800 -0.041 0.000 2.373 861 Q HA 0.054 4.397 4.340 0.004 0.000 0.206 861 Q C -0.292 175.743 176.000 0.057 0.000 0.942 861 Q CA 0.185 55.991 55.803 0.004 0.000 0.953 861 Q CB -0.079 28.701 28.738 0.070 0.000 1.022 861 Q HN 0.209 nan 8.270 nan 0.000 0.502 862 D N -0.075 120.367 120.400 0.070 0.000 2.225 862 D HA 0.160 4.803 4.640 0.004 0.000 0.249 862 D C -0.615 175.741 176.300 0.094 0.000 1.052 862 D CA -0.574 53.481 54.000 0.092 0.000 0.909 862 D CB 1.538 42.417 40.800 0.133 0.000 1.186 862 D HN -0.134 nan 8.370 nan 0.000 0.431 863 V N 2.083 122.044 119.914 0.077 0.000 2.372 863 V HA 0.357 4.479 4.120 0.004 0.000 0.261 863 V C 0.510 176.658 176.094 0.089 0.000 1.055 863 V CA -0.513 61.829 62.300 0.070 0.000 0.930 863 V CB 0.314 32.160 31.823 0.038 0.000 1.031 863 V HN 0.222 nan 8.190 nan 0.000 0.479 864 V N 2.714 122.706 119.914 0.131 0.000 3.164 864 V HA 0.752 4.875 4.120 0.004 0.000 0.313 864 V C 0.343 176.511 176.094 0.125 0.000 1.188 864 V CA -0.596 61.789 62.300 0.142 0.000 1.058 864 V CB 2.282 34.280 31.823 0.292 0.000 1.110 864 V HN 0.847 nan 8.190 nan 0.000 0.453 865 T N -0.904 113.703 114.554 0.088 0.000 2.824 865 T HA 0.842 5.194 4.350 0.004 0.000 0.280 865 T C -0.810 173.980 174.700 0.150 0.000 0.995 865 T CA -0.595 61.558 62.100 0.088 0.000 1.009 865 T CB 1.476 70.362 68.868 0.031 0.000 0.955 865 T HN 0.572 nan 8.240 nan 0.000 0.452 866 V N 2.142 122.155 119.914 0.166 0.000 2.971 866 V HA 0.589 4.711 4.120 0.004 0.000 0.309 866 V C -0.385 175.795 176.094 0.143 0.000 1.130 866 V CA -1.147 61.276 62.300 0.204 0.000 0.964 866 V CB 2.327 34.294 31.823 0.239 0.000 1.029 866 V HN 0.930 nan 8.190 nan 0.000 0.427 867 R N 2.220 122.787 120.500 0.113 0.000 2.198 867 R HA 0.364 4.707 4.340 0.004 0.000 0.339 867 R C -1.412 174.918 176.300 0.049 0.000 1.020 867 R CA -0.097 56.048 56.100 0.075 0.000 0.864 867 R CB 0.617 30.945 30.300 0.046 0.000 1.105 867 R HN 0.743 nan 8.270 nan 0.000 0.463 868 Y N 2.957 123.232 120.300 -0.041 0.000 2.564 868 Y HA 0.101 4.653 4.550 0.004 0.000 0.347 868 Y C 2.008 177.838 175.900 -0.116 0.000 1.284 868 Y CA -0.187 57.858 58.100 -0.092 0.000 1.449 868 Y CB 0.666 39.038 38.460 -0.147 0.000 1.606 868 Y HN 0.497 nan 8.280 nan 0.000 0.594 869 M N -0.037 119.723 119.600 0.266 0.000 2.116 869 M HA -0.229 4.254 4.480 0.004 0.000 0.255 869 M C 1.120 177.422 176.300 0.003 0.000 1.075 869 M CA 2.544 57.888 55.300 0.073 0.000 1.087 869 M CB -0.744 31.895 32.600 0.065 0.000 1.340 869 M HN 0.830 nan 8.290 nan 0.000 0.402 870 G N -0.416 108.372 108.800 -0.020 0.000 4.162 870 G HA2 0.233 4.195 3.960 0.004 0.000 0.252 870 G HA3 0.233 4.195 3.960 0.004 0.000 0.252 870 G C -0.196 174.697 174.900 -0.011 0.000 1.064 870 G CA -0.435 44.652 45.100 -0.022 0.000 0.850 870 G HN 0.268 nan 8.290 nan 0.000 0.454 871 K N 0.492 120.890 120.400 -0.004 0.000 2.435 871 K HA 0.538 4.861 4.320 0.004 0.000 0.251 871 K C -0.755 175.871 176.600 0.042 0.000 0.954 871 K CA -0.985 55.308 56.287 0.011 0.000 0.820 871 K CB 2.251 34.744 32.500 -0.012 0.000 1.292 871 K HN -0.092 nan 8.250 nan 0.000 0.436 872 R N 2.273 122.798 120.500 0.042 0.000 2.308 872 R HA 0.249 4.592 4.340 0.004 0.000 0.325 872 R C -0.562 175.775 176.300 0.062 0.000 1.161 872 R CA -0.252 55.881 56.100 0.055 0.000 1.022 872 R CB -0.176 30.150 30.300 0.044 0.000 1.091 872 R HN 0.336 nan 8.270 nan 0.000 0.497 873 L N 2.549 123.821 121.223 0.082 0.000 2.307 873 L HA 0.257 4.600 4.340 0.004 0.000 0.282 873 L C 0.433 177.359 176.870 0.094 0.000 1.051 873 L CA -0.395 54.496 54.840 0.084 0.000 0.804 873 L CB 1.560 43.672 42.059 0.088 0.000 1.197 873 L HN 0.397 nan 8.230 nan 0.000 0.431 874 E N 2.441 122.689 120.200 0.079 0.000 2.026 874 E HA 0.259 4.612 4.350 0.004 0.000 0.253 874 E C -0.797 175.851 176.600 0.080 0.000 1.056 874 E CA -0.130 56.316 56.400 0.077 0.000 0.927 874 E CB 0.841 30.578 29.700 0.061 0.000 1.172 874 E HN 0.434 nan 8.360 nan 0.000 0.445 875 T N 0.772 115.387 114.554 0.101 0.000 2.916 875 T HA 0.185 4.537 4.350 0.004 0.000 0.305 875 T C -0.264 174.504 174.700 0.113 0.000 1.119 875 T CA -0.707 61.450 62.100 0.096 0.000 1.008 875 T CB 1.691 70.619 68.868 0.099 0.000 1.129 875 T HN 0.394 nan 8.240 nan 0.000 0.480 876 S N 3.451 119.204 115.700 0.088 0.000 2.566 876 S HA 0.156 4.628 4.470 0.004 0.000 0.280 876 S C -1.650 173.003 174.600 0.090 0.000 1.343 876 S CA -0.489 57.764 58.200 0.088 0.000 1.036 876 S CB 0.515 63.742 63.200 0.045 0.000 0.866 876 S HN 0.386 nan 8.310 nan 0.000 0.526 877 P HA -0.007 nan 4.420 nan 0.000 0.213 877 P C 1.784 179.101 177.300 0.028 0.000 1.170 877 P CA 1.809 64.939 63.100 0.049 0.000 0.898 877 P CB -0.588 31.128 31.700 0.028 0.000 0.787 878 G N 0.472 109.266 108.800 -0.009 0.000 2.599 878 G HA2 -0.320 3.642 3.960 0.004 0.000 0.219 878 G HA3 -0.320 3.642 3.960 0.004 0.000 0.219 878 G C 1.627 176.530 174.900 0.005 0.000 1.193 878 G CA 0.972 46.035 45.100 -0.061 0.000 0.778 878 G HN 0.178 nan 8.290 nan 0.000 0.589 879 R N -0.230 120.287 120.500 0.028 0.000 2.117 879 R HA -0.056 4.287 4.340 0.004 0.000 0.243 879 R C 2.386 178.786 176.300 0.167 0.000 1.143 879 R CA 0.928 57.089 56.100 0.101 0.000 0.968 879 R CB -0.737 29.610 30.300 0.078 0.000 0.863 879 R HN 0.350 nan 8.270 nan 0.000 0.444 880 I N 1.289 121.938 120.570 0.132 0.000 2.439 880 I HA -0.193 3.980 4.170 0.004 0.000 0.251 880 I C 2.153 178.350 176.117 0.134 0.000 1.139 880 I CA 0.760 62.152 61.300 0.153 0.000 1.438 880 I CB -0.661 37.419 38.000 0.133 0.000 1.085 880 I HN 0.077 nan 8.210 nan 0.000 0.427 881 L N 0.586 121.878 121.223 0.116 0.000 2.046 881 L HA -0.212 4.131 4.340 0.004 0.000 0.208 881 L C 2.355 179.327 176.870 0.169 0.000 1.077 881 L CA 1.897 56.816 54.840 0.130 0.000 0.747 881 L CB -1.523 40.615 42.059 0.132 0.000 0.896 881 L HN 0.207 nan 8.230 nan 0.000 0.432 882 F N 1.103 121.067 119.950 0.022 0.000 2.095 882 F HA -0.184 4.345 4.527 0.004 0.000 0.298 882 F C 2.336 178.151 175.800 0.025 0.000 1.104 882 F CA 1.607 59.618 58.000 0.019 0.000 1.232 882 F CB -1.077 37.923 39.000 0.001 0.000 0.987 882 F HN 0.198 nan 8.300 nan 0.000 0.475 883 A N 1.179 123.950 122.820 -0.082 0.000 1.927 883 A HA -0.284 4.038 4.320 0.004 0.000 0.220 883 A C 2.542 180.047 177.584 -0.131 0.000 1.185 883 A CA 2.080 54.021 52.037 -0.160 0.000 0.639 883 A CB -1.009 18.035 19.000 0.073 0.000 0.820 883 A HN 0.489 nan 8.150 nan 0.000 0.451 884 R N -0.012 120.465 120.500 -0.038 0.000 2.070 884 R HA -0.118 4.224 4.340 0.004 0.000 0.233 884 R C 2.078 178.308 176.300 -0.118 0.000 1.137 884 R CA 1.963 58.042 56.100 -0.036 0.000 0.945 884 R CB -0.601 29.702 30.300 0.005 0.000 0.845 884 R HN 0.588 nan 8.270 nan 0.000 0.430 885 I N 1.219 121.679 120.570 -0.184 0.000 2.185 885 I HA -0.316 3.856 4.170 0.004 0.000 0.246 885 I C 2.433 178.402 176.117 -0.247 0.000 1.088 885 I CA 1.509 62.611 61.300 -0.329 0.000 1.347 885 I CB -0.527 37.208 38.000 -0.442 0.000 1.041 885 I HN 0.013 nan 8.210 nan 0.000 0.415 886 V N 1.159 120.892 119.914 -0.302 0.000 2.270 886 V HA -0.220 3.903 4.120 0.004 0.000 0.245 886 V C 2.836 178.845 176.094 -0.142 0.000 1.043 886 V CA 1.823 63.971 62.300 -0.255 0.000 1.014 886 V CB -1.448 30.122 31.823 -0.421 0.000 0.645 886 V HN 0.487 nan 8.190 nan 0.000 0.447 887 A N -0.632 122.112 122.820 -0.127 0.000 1.986 887 A HA -0.261 4.061 4.320 0.004 0.000 0.220 887 A C 2.274 179.837 177.584 -0.036 0.000 1.171 887 A CA 2.111 54.119 52.037 -0.048 0.000 0.640 887 A CB -0.461 18.536 19.000 -0.006 0.000 0.811 887 A HN 0.646 nan 8.150 nan 0.000 0.451 888 E N -0.722 119.446 120.200 -0.054 0.000 2.060 888 E HA 0.020 4.373 4.350 0.004 0.000 0.189 888 E C 2.447 179.035 176.600 -0.021 0.000 0.974 888 E CA 0.632 57.014 56.400 -0.030 0.000 0.808 888 E CB -0.227 29.454 29.700 -0.031 0.000 0.768 888 E HN 0.553 nan 8.360 nan 0.000 0.453 889 A N 1.259 124.057 122.820 -0.036 0.000 1.915 889 A HA -0.182 4.140 4.320 0.004 0.000 0.220 889 A C 1.410 178.989 177.584 -0.008 0.000 1.198 889 A CA 1.860 53.889 52.037 -0.012 0.000 0.647 889 A CB -0.724 18.265 19.000 -0.017 0.000 0.825 889 A HN 0.194 nan 8.150 nan 0.000 0.456 890 V N -3.050 116.853 119.914 -0.018 0.000 2.376 890 V HA 0.597 4.719 4.120 0.004 0.000 0.287 890 V C 0.450 176.538 176.094 -0.010 0.000 1.015 890 V CA -0.054 62.238 62.300 -0.014 0.000 0.834 890 V CB 1.350 33.164 31.823 -0.016 0.000 1.001 890 V HN 0.347 nan 8.190 nan 0.000 0.428 891 E N 2.730 122.926 120.200 -0.006 0.000 2.209 891 E HA -0.184 4.168 4.350 0.004 0.000 0.196 891 E C 0.808 177.411 176.600 0.005 0.000 0.993 891 E CA 1.322 57.721 56.400 -0.002 0.000 0.819 891 E CB -0.133 29.565 29.700 -0.002 0.000 0.745 891 E HN 0.904 nan 8.360 nan 0.000 0.477 892 D N 0.445 120.848 120.400 0.005 0.000 2.597 892 D HA -0.021 4.621 4.640 0.004 0.000 0.228 892 D C 0.725 177.047 176.300 0.036 0.000 1.120 892 D CA 0.152 54.162 54.000 0.017 0.000 1.083 892 D CB -0.116 40.690 40.800 0.010 0.000 1.116 892 D HN 0.272 nan 8.370 nan 0.000 0.487 893 E N 1.564 121.789 120.200 0.042 0.000 2.114 893 E HA -0.281 4.071 4.350 0.004 0.000 0.199 893 E C 1.306 177.978 176.600 0.120 0.000 1.008 893 E CA 1.313 57.753 56.400 0.065 0.000 0.810 893 E CB 0.324 30.060 29.700 0.059 0.000 0.739 893 E HN 0.330 nan 8.360 nan 0.000 0.456 894 K N -0.261 120.216 120.400 0.128 0.000 2.097 894 K HA -0.073 4.249 4.320 0.004 0.000 0.205 894 K C 2.041 178.812 176.600 0.284 0.000 1.050 894 K CA 1.266 57.698 56.287 0.242 0.000 0.938 894 K CB 0.087 32.690 32.500 0.173 0.000 0.718 894 K HN 0.112 nan 8.250 nan 0.000 0.442 895 V N 1.258 121.250 119.914 0.129 0.000 3.305 895 V HA -0.096 4.026 4.120 0.004 0.000 0.269 895 V C 2.115 178.231 176.094 0.036 0.000 1.157 895 V CA 1.441 63.776 62.300 0.058 0.000 1.157 895 V CB -0.496 31.340 31.823 0.021 0.000 0.772 895 V HN 0.278 nan 8.190 nan 0.000 0.498 896 A N 0.607 123.471 122.820 0.074 0.000 1.935 896 A HA -0.106 4.217 4.320 0.004 0.000 0.214 896 A C 2.016 179.633 177.584 0.055 0.000 1.178 896 A CA 1.080 53.136 52.037 0.031 0.000 0.640 896 A CB -0.459 18.550 19.000 0.015 0.000 0.825 896 A HN 0.817 nan 8.150 nan 0.000 0.447 897 W N 0.880 122.123 121.300 -0.096 0.000 2.863 897 W HA 0.130 4.793 4.660 0.004 0.000 0.258 897 W C 0.872 177.342 176.519 -0.083 0.000 1.298 897 W CA 0.838 58.111 57.345 -0.120 0.000 1.451 897 W CB -0.433 28.915 29.460 -0.187 0.000 1.107 897 W HN 0.455 nan 8.180 nan 0.000 0.641 898 E N 1.408 121.333 120.200 -0.458 0.000 2.150 898 E HA -0.181 4.171 4.350 0.004 0.000 0.193 898 E C 1.789 178.187 176.600 -0.336 0.000 0.985 898 E CA 1.810 57.876 56.400 -0.557 0.000 0.814 898 E CB -0.172 29.375 29.700 -0.256 0.000 0.752 898 E HN 0.372 nan 8.360 nan 0.000 0.466 899 L N -1.244 119.870 121.223 -0.181 0.000 2.769 899 L HA 0.366 4.708 4.340 0.004 0.000 0.240 899 L C 0.385 177.225 176.870 -0.050 0.000 1.163 899 L CA -0.197 54.587 54.840 -0.093 0.000 0.962 899 L CB -0.034 42.002 42.059 -0.039 0.000 1.258 899 L HN -0.080 nan 8.230 nan 0.000 0.513 900 I N -1.191 119.338 120.570 -0.068 0.000 2.646 900 I HA 0.610 4.782 4.170 0.004 0.000 0.299 900 I C -0.831 175.298 176.117 0.019 0.000 1.036 900 I CA -0.833 60.477 61.300 0.017 0.000 1.074 900 I CB 2.037 40.041 38.000 0.006 0.000 1.258 900 I HN 0.250 nan 8.210 nan 0.000 0.430 901 Q N 6.328 126.182 119.800 0.090 0.000 2.394 901 Q HA 0.420 4.762 4.340 0.004 0.000 0.259 901 Q C -0.440 175.633 176.000 0.121 0.000 1.021 901 Q CA -0.757 55.085 55.803 0.065 0.000 0.805 901 Q CB 1.668 30.426 28.738 0.034 0.000 1.226 901 Q HN 0.942 nan 8.270 nan 0.000 0.476 902 L N -1.288 120.008 121.223 0.122 0.000 2.728 902 L HA 0.435 4.777 4.340 0.004 0.000 0.235 902 L C 0.167 177.081 176.870 0.074 0.000 1.197 902 L CA -0.099 54.824 54.840 0.139 0.000 0.992 902 L CB 0.062 42.215 42.059 0.156 0.000 1.263 902 L HN 0.407 nan 8.230 nan 0.000 0.484 903 D N 0.750 121.178 120.400 0.045 0.000 2.349 903 D HA 0.169 4.811 4.640 0.004 0.000 0.214 903 D C 0.061 176.355 176.300 -0.009 0.000 1.063 903 D CA 0.449 54.462 54.000 0.021 0.000 0.847 903 D CB 0.820 41.631 40.800 0.019 0.000 0.933 903 D HN 0.305 nan 8.370 nan 0.000 0.513 904 V N -3.829 116.068 119.914 -0.029 0.000 3.147 904 V HA 0.570 4.692 4.120 0.004 0.000 0.299 904 V C -2.926 173.076 176.094 -0.154 0.000 1.302 904 V CA -2.323 59.932 62.300 -0.075 0.000 1.015 904 V CB 1.614 33.406 31.823 -0.051 0.000 1.086 904 V HN -0.321 nan 8.190 nan 0.000 0.437 905 P HA 0.198 nan 4.420 nan 0.000 0.266 905 P C -0.849 176.218 177.300 -0.387 0.000 1.195 905 P CA 0.190 62.978 63.100 -0.520 0.000 0.768 905 P CB 0.267 31.365 31.700 -1.004 0.000 0.838 906 Q N 2.406 121.967 119.800 -0.398 0.000 2.324 906 Q HA 0.073 4.415 4.340 0.004 0.000 0.257 906 Q C 0.324 176.312 176.000 -0.020 0.000 1.080 906 Q CA 0.441 56.096 55.803 -0.248 0.000 0.907 906 Q CB 0.104 28.556 28.738 -0.476 0.000 1.274 906 Q HN 0.493 nan 8.270 nan 0.000 0.434 907 E N 1.962 122.189 120.200 0.045 0.000 2.322 907 E HA 0.076 4.429 4.350 0.004 0.000 0.257 907 E C 0.597 177.232 176.600 0.060 0.000 1.155 907 E CA -0.470 56.002 56.400 0.121 0.000 0.936 907 E CB 0.857 30.614 29.700 0.097 0.000 1.130 907 E HN 0.420 nan 8.360 nan 0.000 0.465 908 K N 1.031 121.460 120.400 0.048 0.000 2.152 908 K HA -0.196 4.127 4.320 0.004 0.000 0.206 908 K C 1.264 177.884 176.600 0.034 0.000 1.048 908 K CA 1.819 58.127 56.287 0.034 0.000 0.933 908 K CB 0.010 32.523 32.500 0.022 0.000 0.721 908 K HN 0.415 nan 8.250 nan 0.000 0.447 909 N N 0.293 119.011 118.700 0.031 0.000 2.173 909 N HA -0.125 4.618 4.740 0.004 0.000 0.184 909 N C 1.910 177.444 175.510 0.040 0.000 1.025 909 N CA 1.555 54.622 53.050 0.029 0.000 0.852 909 N CB -0.447 38.052 38.487 0.021 0.000 0.998 909 N HN 0.318 nan 8.380 nan 0.000 0.427 910 S N 1.152 116.875 115.700 0.039 0.000 2.387 910 S HA -0.096 4.376 4.470 0.004 0.000 0.230 910 S C 2.140 176.787 174.600 0.079 0.000 1.035 910 S CA 0.874 59.103 58.200 0.049 0.000 1.014 910 S CB -0.679 62.536 63.200 0.025 0.000 0.836 910 S HN 0.151 nan 8.310 nan 0.000 0.466 911 L N 1.528 122.791 121.223 0.067 0.000 2.044 911 L HA 0.072 4.415 4.340 0.004 0.000 0.205 911 L C 2.848 179.778 176.870 0.100 0.000 1.075 911 L CA 1.667 56.565 54.840 0.096 0.000 0.747 911 L CB -0.489 41.611 42.059 0.067 0.000 0.903 911 L HN 0.308 nan 8.230 nan 0.000 0.435 912 K N -0.042 120.401 120.400 0.073 0.000 2.044 912 K HA -0.251 4.071 4.320 0.004 0.000 0.210 912 K C 1.587 178.248 176.600 0.102 0.000 1.049 912 K CA 2.095 58.422 56.287 0.067 0.000 0.927 912 K CB -0.121 32.398 32.500 0.032 0.000 0.713 912 K HN 0.317 nan 8.250 nan 0.000 0.443 913 D N 0.825 121.286 120.400 0.102 0.000 2.183 913 D HA -0.150 4.492 4.640 0.004 0.000 0.203 913 D C 1.915 178.323 176.300 0.180 0.000 0.969 913 D CA 0.595 54.681 54.000 0.144 0.000 0.842 913 D CB -0.098 40.764 40.800 0.103 0.000 0.957 913 D HN 0.268 nan 8.370 nan 0.000 0.484 914 L N 0.596 121.910 121.223 0.153 0.000 2.093 914 L HA -0.142 4.201 4.340 0.004 0.000 0.208 914 L C 2.213 179.172 176.870 0.148 0.000 1.085 914 L CA 0.719 55.648 54.840 0.150 0.000 0.755 914 L CB 0.048 42.216 42.059 0.182 0.000 0.904 914 L HN -0.124 nan 8.230 nan 0.000 0.435 915 V N -0.818 119.191 119.914 0.157 0.000 2.261 915 V HA -0.343 3.779 4.120 0.004 0.000 0.246 915 V C 2.168 178.380 176.094 0.197 0.000 1.047 915 V CA 2.054 64.444 62.300 0.150 0.000 1.015 915 V CB -0.791 31.102 31.823 0.117 0.000 0.642 915 V HN 0.504 nan 8.190 nan 0.000 0.446 916 Y N 0.809 121.162 120.300 0.089 0.000 2.081 916 Y HA -0.329 4.223 4.550 0.004 0.000 0.280 916 Y C 2.733 178.744 175.900 0.185 0.000 1.163 916 Y CA 2.345 60.519 58.100 0.123 0.000 1.135 916 Y CB -0.449 38.064 38.460 0.090 0.000 0.970 916 Y HN 0.197 nan 8.280 nan 0.000 0.498 917 Q N 0.309 120.203 119.800 0.156 0.000 2.014 917 Q HA -0.209 4.133 4.340 0.004 0.000 0.207 917 Q C 2.546 178.543 176.000 -0.006 0.000 0.993 917 Q CA 2.266 58.097 55.803 0.047 0.000 0.850 917 Q CB -1.226 27.566 28.738 0.089 0.000 0.916 917 Q HN 0.579 nan 8.270 nan 0.000 0.417 918 A N -0.434 122.411 122.820 0.042 0.000 1.948 918 A HA -0.221 4.102 4.320 0.004 0.000 0.220 918 A C 2.038 179.632 177.584 0.017 0.000 1.177 918 A CA 1.707 53.759 52.037 0.026 0.000 0.636 918 A CB -0.988 18.045 19.000 0.056 0.000 0.815 918 A HN 0.493 nan 8.150 nan 0.000 0.449 919 F N 0.642 120.524 119.950 -0.113 0.000 2.102 919 F HA -0.126 4.404 4.527 0.004 0.000 0.298 919 F C 1.799 177.489 175.800 -0.184 0.000 1.105 919 F CA 1.951 59.866 58.000 -0.142 0.000 1.239 919 F CB -0.383 38.518 39.000 -0.166 0.000 0.991 919 F HN 0.160 nan 8.300 nan 0.000 0.474 920 L N -0.006 121.048 121.223 -0.281 0.000 2.027 920 L HA -0.117 4.225 4.340 0.004 0.000 0.206 920 L C 2.592 179.308 176.870 -0.257 0.000 1.074 920 L CA 1.086 55.721 54.840 -0.342 0.000 0.745 920 L CB -1.110 40.793 42.059 -0.260 0.000 0.898 920 L HN -0.086 nan 8.230 nan 0.000 0.433 921 R N 0.957 121.357 120.500 -0.167 0.000 2.064 921 R HA 0.033 4.375 4.340 0.004 0.000 0.228 921 R C 2.206 178.432 176.300 -0.122 0.000 1.144 921 R CA 1.524 57.554 56.100 -0.117 0.000 0.932 921 R CB -1.052 29.204 30.300 -0.074 0.000 0.833 921 R HN 0.384 nan 8.270 nan 0.000 0.429 922 L N -0.977 120.178 121.223 -0.114 0.000 2.477 922 L HA 0.347 4.690 4.340 0.004 0.000 0.220 922 L C 0.830 177.624 176.870 -0.125 0.000 1.106 922 L CA 0.338 55.121 54.840 -0.095 0.000 0.851 922 L CB -0.256 41.768 42.059 -0.059 0.000 0.994 922 L HN 0.343 nan 8.230 nan 0.000 0.462 923 G N -0.402 108.281 108.800 -0.195 0.000 2.428 923 G HA2 -0.130 3.833 3.960 0.004 0.000 0.681 923 G HA3 -0.130 3.833 3.960 0.004 0.000 0.681 923 G C -0.166 174.620 174.900 -0.189 0.000 1.340 923 G CA -0.150 44.818 45.100 -0.222 0.000 0.915 923 G HN -0.088 nan 8.290 nan 0.000 0.645 924 M N 0.487 119.972 119.600 -0.192 0.000 2.200 924 M HA -0.097 4.386 4.480 0.004 0.000 0.261 924 M C 2.865 179.200 176.300 0.058 0.000 1.074 924 M CA 2.724 58.021 55.300 -0.005 0.000 1.098 924 M CB -0.312 32.322 32.600 0.058 0.000 1.268 924 M HN 0.848 nan 8.290 nan 0.000 0.432 925 E N 0.239 120.460 120.200 0.036 0.000 2.118 925 E HA -0.267 4.086 4.350 0.004 0.000 0.195 925 E C 1.735 178.337 176.600 0.004 0.000 0.992 925 E CA 1.482 57.896 56.400 0.024 0.000 0.804 925 E CB -0.839 28.867 29.700 0.010 0.000 0.741 925 E HN 0.564 nan 8.360 nan 0.000 0.458 926 K N 0.506 120.900 120.400 -0.010 0.000 2.103 926 K HA -0.092 4.231 4.320 0.004 0.000 0.207 926 K C 2.296 178.901 176.600 0.009 0.000 1.048 926 K CA 1.973 58.254 56.287 -0.011 0.000 0.930 926 K CB -0.225 32.260 32.500 -0.026 0.000 0.716 926 K HN 0.310 nan 8.250 nan 0.000 0.444 927 T N 0.790 115.361 114.554 0.028 0.000 2.674 927 T HA -0.165 4.187 4.350 0.004 0.000 0.265 927 T C 2.080 176.810 174.700 0.050 0.000 1.039 927 T CA 1.314 63.451 62.100 0.061 0.000 1.150 927 T CB -0.445 68.508 68.868 0.140 0.000 0.864 927 T HN 0.259 nan 8.240 nan 0.000 0.427 928 A N 2.115 124.958 122.820 0.039 0.000 1.958 928 A HA -0.260 4.062 4.320 0.004 0.000 0.221 928 A C 2.459 180.049 177.584 0.011 0.000 1.178 928 A CA 2.025 54.065 52.037 0.006 0.000 0.642 928 A CB -0.730 18.255 19.000 -0.024 0.000 0.816 928 A HN 0.492 nan 8.150 nan 0.000 0.453 929 R N -1.370 119.139 120.500 0.014 0.000 2.083 929 R HA -0.139 4.204 4.340 0.004 0.000 0.237 929 R C 2.181 178.506 176.300 0.042 0.000 1.137 929 R CA 1.530 57.643 56.100 0.022 0.000 0.951 929 R CB -0.612 29.695 30.300 0.012 0.000 0.851 929 R HN 0.522 nan 8.270 nan 0.000 0.434 930 L N 1.258 122.505 121.223 0.039 0.000 2.042 930 L HA -0.171 4.172 4.340 0.004 0.000 0.210 930 L C 1.897 178.811 176.870 0.074 0.000 1.076 930 L CA 1.661 56.531 54.840 0.049 0.000 0.749 930 L CB -0.433 41.653 42.059 0.044 0.000 0.893 930 L HN 0.167 nan 8.230 nan 0.000 0.432 931 L N -0.643 120.620 121.223 0.067 0.000 1.970 931 L HA -0.270 4.073 4.340 0.004 0.000 0.212 931 L C 2.404 179.331 176.870 0.095 0.000 1.071 931 L CA 1.867 56.751 54.840 0.072 0.000 0.751 931 L CB -0.996 41.089 42.059 0.043 0.000 0.889 931 L HN 0.327 nan 8.230 nan 0.000 0.432 932 D N -0.151 120.311 120.400 0.104 0.000 2.182 932 D HA -0.172 4.470 4.640 0.004 0.000 0.201 932 D C 2.124 178.536 176.300 0.188 0.000 0.986 932 D CA 1.478 55.569 54.000 0.153 0.000 0.847 932 D CB 0.122 41.007 40.800 0.142 0.000 0.942 932 D HN 0.371 nan 8.370 nan 0.000 0.467 933 A N 0.996 123.921 122.820 0.176 0.000 1.858 933 A HA -0.144 4.179 4.320 0.004 0.000 0.216 933 A C 2.441 180.199 177.584 0.289 0.000 1.190 933 A CA 0.900 53.084 52.037 0.246 0.000 0.617 933 A CB -0.834 18.238 19.000 0.119 0.000 0.827 933 A HN 0.184 nan 8.150 nan 0.000 0.443 934 L N -0.448 120.889 121.223 0.189 0.000 2.012 934 L HA -0.239 4.104 4.340 0.004 0.000 0.210 934 L C 2.686 179.631 176.870 0.125 0.000 1.073 934 L CA 2.008 56.966 54.840 0.197 0.000 0.748 934 L CB -0.500 41.661 42.059 0.169 0.000 0.891 934 L HN 0.510 nan 8.230 nan 0.000 0.431 935 K N -0.138 120.282 120.400 0.034 0.000 2.059 935 K HA -0.299 4.023 4.320 0.004 0.000 0.212 935 K C 2.264 178.749 176.600 -0.191 0.000 1.050 935 K CA 2.202 58.361 56.287 -0.213 0.000 0.927 935 K CB -0.438 32.003 32.500 -0.099 0.000 0.714 935 K HN 0.299 nan 8.250 nan 0.000 0.447 936 Y N -0.301 119.984 120.300 -0.024 0.000 2.133 936 Y HA -0.299 4.254 4.550 0.004 0.000 0.287 936 Y C 2.013 177.884 175.900 -0.048 0.000 1.134 936 Y CA 1.700 59.806 58.100 0.010 0.000 1.133 936 Y CB -0.156 38.336 38.460 0.052 0.000 0.987 936 Y HN 0.098 nan 8.280 nan 0.000 0.502 937 Y N 0.042 120.174 120.300 -0.281 0.000 2.200 937 Y HA -0.057 4.496 4.550 0.004 0.000 0.290 937 Y C 2.656 178.404 175.900 -0.254 0.000 1.137 937 Y CA 1.141 58.917 58.100 -0.539 0.000 1.163 937 Y CB -1.166 37.157 38.460 -0.230 0.000 0.988 937 Y HN 0.212 nan 8.280 nan 0.000 0.518 938 G N -0.586 108.311 108.800 0.161 0.000 2.469 938 G HA2 -0.263 3.699 3.960 0.004 0.000 0.219 938 G HA3 -0.263 3.699 3.960 0.004 0.000 0.219 938 G C 1.739 176.778 174.900 0.232 0.000 1.150 938 G CA 0.881 46.108 45.100 0.212 0.000 0.763 938 G HN 0.423 nan 8.290 nan 0.000 0.561 939 F N 0.928 120.875 119.950 -0.005 0.000 2.113 939 F HA -0.107 4.423 4.527 0.004 0.000 0.297 939 F C 3.195 178.908 175.800 -0.146 0.000 1.103 939 F CA 1.133 59.103 58.000 -0.050 0.000 1.248 939 F CB -0.234 38.753 39.000 -0.022 0.000 0.999 939 F HN 0.105 nan 8.300 nan 0.000 0.475 940 T N 0.381 114.848 114.554 -0.146 0.000 2.701 940 T HA -0.195 4.158 4.350 0.004 0.000 0.263 940 T C 1.633 176.223 174.700 -0.182 0.000 1.040 940 T CA 1.357 63.266 62.100 -0.318 0.000 1.147 940 T CB -0.938 67.484 68.868 -0.743 0.000 0.865 940 T HN 0.127 nan 8.240 nan 0.000 0.426 941 F N 1.486 121.396 119.950 -0.067 0.000 2.154 941 F HA -0.201 4.329 4.527 0.004 0.000 0.301 941 F C 3.027 178.773 175.800 -0.089 0.000 1.087 941 F CA 0.960 58.951 58.000 -0.015 0.000 1.274 941 F CB -0.454 38.595 39.000 0.083 0.000 1.009 941 F HN 0.172 nan 8.300 nan 0.000 0.485 942 S N -0.024 115.752 115.700 0.125 0.000 2.353 942 S HA -0.269 4.204 4.470 0.004 0.000 0.222 942 S C 2.339 176.877 174.600 -0.103 0.000 1.035 942 S CA 2.372 60.568 58.200 -0.007 0.000 1.025 942 S CB -0.835 62.409 63.200 0.074 0.000 0.902 942 S HN 0.561 nan 8.310 nan 0.000 0.440 943 T N 0.105 114.615 114.554 -0.073 0.000 2.652 943 T HA -0.159 4.193 4.350 0.004 0.000 0.267 943 T C 2.037 176.675 174.700 -0.103 0.000 1.039 943 T CA 2.557 64.601 62.100 -0.093 0.000 1.153 943 T CB -1.813 67.004 68.868 -0.084 0.000 0.863 943 T HN 0.644 nan 8.240 nan 0.000 0.428 944 T N 1.497 116.004 114.554 -0.078 0.000 2.746 944 T HA -0.141 4.211 4.350 0.004 0.000 0.267 944 T C 2.423 177.044 174.700 -0.131 0.000 1.039 944 T CA 1.823 63.891 62.100 -0.053 0.000 1.142 944 T CB -1.179 67.707 68.868 0.030 0.000 0.866 944 T HN 0.687 nan 8.240 nan 0.000 0.444 945 S N 2.089 117.587 115.700 -0.337 0.000 2.392 945 S HA 0.016 4.489 4.470 0.004 0.000 0.232 945 S C 2.110 176.407 174.600 -0.505 0.000 1.041 945 S CA 1.321 58.959 58.200 -0.937 0.000 1.026 945 S CB -1.595 60.600 63.200 -1.674 0.000 0.845 945 S HN 1.628 nan 8.310 nan 0.000 0.465 946 G N 1.030 109.652 108.800 -0.296 0.000 2.198 946 G HA2 -0.239 3.724 3.960 0.004 0.000 0.257 946 G HA3 -0.239 3.724 3.960 0.004 0.000 0.257 946 G C -0.094 174.716 174.900 -0.149 0.000 1.042 946 G CA 0.129 45.133 45.100 -0.162 0.000 0.791 946 G HN 1.310 nan 8.290 nan 0.000 0.502 947 I N 0.001 120.448 120.570 -0.203 0.000 2.416 947 I HA 0.775 4.947 4.170 0.004 0.000 0.288 947 I C 0.409 176.476 176.117 -0.083 0.000 1.051 947 I CA 0.014 61.236 61.300 -0.130 0.000 1.375 947 I CB 1.343 39.253 38.000 -0.150 0.000 1.407 947 I HN 0.456 nan 8.210 nan 0.000 0.516 948 T N 4.157 118.681 114.554 -0.049 0.000 2.889 948 T HA 0.606 4.958 4.350 0.004 0.000 0.315 948 T C -0.437 174.251 174.700 -0.021 0.000 1.291 948 T CA -0.919 61.159 62.100 -0.037 0.000 1.028 948 T CB 1.280 70.128 68.868 -0.033 0.000 1.235 948 T HN 0.483 nan 8.240 nan 0.000 0.491 949 I N 1.866 122.426 120.570 -0.017 0.000 2.474 949 I HA 0.582 4.754 4.170 0.004 0.000 0.287 949 I C 1.014 177.129 176.117 -0.003 0.000 1.048 949 I CA -0.079 61.217 61.300 -0.006 0.000 1.383 949 I CB 0.538 38.537 38.000 -0.001 0.000 1.412 949 I HN 1.039 nan 8.210 nan 0.000 0.531 950 G N 4.969 113.771 108.800 0.002 0.000 2.571 950 G HA2 0.447 4.409 3.960 0.004 0.000 0.304 950 G HA3 0.447 4.409 3.960 0.004 0.000 0.304 950 G C 0.724 175.629 174.900 0.009 0.000 1.314 950 G CA -0.443 44.658 45.100 0.002 0.000 0.975 950 G HN 0.473 nan 8.290 nan 0.000 0.485 951 I N 0.637 121.212 120.570 0.009 0.000 2.248 951 I HA -0.136 4.037 4.170 0.004 0.000 0.248 951 I C 1.808 177.936 176.117 0.019 0.000 1.107 951 I CA 1.485 62.794 61.300 0.016 0.000 1.373 951 I CB -0.278 37.727 38.000 0.009 0.000 1.055 951 I HN 0.547 nan 8.210 nan 0.000 0.418 952 D N 0.394 120.799 120.400 0.007 0.000 2.263 952 D HA -0.182 4.460 4.640 0.004 0.000 0.208 952 D C 1.497 177.791 176.300 -0.009 0.000 0.971 952 D CA 0.891 54.889 54.000 -0.004 0.000 0.867 952 D CB 0.067 40.859 40.800 -0.014 0.000 0.929 952 D HN 0.406 nan 8.370 nan 0.000 0.492 953 D N 1.217 121.619 120.400 0.004 0.000 2.097 953 D HA -0.066 4.577 4.640 0.004 0.000 0.195 953 D C 0.882 177.229 176.300 0.079 0.000 0.989 953 D CA 0.469 54.477 54.000 0.015 0.000 0.827 953 D CB -0.235 40.573 40.800 0.013 0.000 0.966 953 D HN 0.026 nan 8.370 nan 0.000 0.456 954 A N 1.386 124.260 122.820 0.091 0.000 2.496 954 A HA 0.249 4.572 4.320 0.004 0.000 0.278 954 A C 0.055 177.734 177.584 0.159 0.000 1.137 954 A CA -0.005 52.129 52.037 0.163 0.000 0.805 954 A CB -0.054 19.022 19.000 0.127 0.000 1.077 954 A HN -0.022 nan 8.150 nan 0.000 0.513 955 V N 5.307 125.370 119.914 0.248 0.000 2.394 955 V HA 0.280 4.402 4.120 0.004 0.000 0.282 955 V C 0.403 176.493 176.094 -0.007 0.000 1.031 955 V CA -0.411 61.936 62.300 0.078 0.000 0.881 955 V CB 1.233 33.067 31.823 0.018 0.000 0.982 955 V HN 0.731 nan 8.190 nan 0.000 0.451 956 I N 6.491 127.054 120.570 -0.012 0.000 2.395 956 I HA 0.295 4.467 4.170 0.004 0.000 0.289 956 I C -1.990 174.081 176.117 -0.076 0.000 1.023 956 I CA -1.631 59.644 61.300 -0.042 0.000 1.350 956 I CB 1.904 39.898 38.000 -0.010 0.000 1.409 956 I HN 0.446 nan 8.210 nan 0.000 0.507 957 P HA 0.014 nan 4.420 nan 0.000 0.268 957 P C 0.259 177.514 177.300 -0.075 0.000 1.205 957 P CA -0.116 62.903 63.100 -0.136 0.000 0.771 957 P CB 0.701 32.281 31.700 -0.200 0.000 0.858 958 E N 2.341 122.513 120.200 -0.047 0.000 2.347 958 E HA -0.178 4.174 4.350 0.004 0.000 0.196 958 E C 1.271 177.875 176.600 0.007 0.000 1.008 958 E CA 1.068 57.461 56.400 -0.011 0.000 0.852 958 E CB -0.201 29.500 29.700 0.000 0.000 0.783 958 E HN 0.404 nan 8.360 nan 0.000 0.505 959 E N 0.493 120.685 120.200 -0.013 0.000 2.285 959 E HA -0.185 4.168 4.350 0.004 0.000 0.194 959 E C 1.778 178.407 176.600 0.047 0.000 0.997 959 E CA 0.677 57.112 56.400 0.058 0.000 0.845 959 E CB -0.368 29.339 29.700 0.012 0.000 0.782 959 E HN 0.294 nan 8.360 nan 0.000 0.491 960 K N 2.382 122.747 120.400 -0.058 0.000 2.044 960 K HA -0.254 4.069 4.320 0.004 0.000 0.210 960 K C 2.343 178.983 176.600 0.068 0.000 1.049 960 K CA 2.194 58.461 56.287 -0.034 0.000 0.927 960 K CB -0.159 32.317 32.500 -0.040 0.000 0.713 960 K HN 0.107 nan 8.250 nan 0.000 0.443 961 K N 0.510 120.948 120.400 0.062 0.000 2.103 961 K HA -0.262 4.060 4.320 0.004 0.000 0.207 961 K C 2.177 178.835 176.600 0.096 0.000 1.048 961 K CA 1.821 58.151 56.287 0.072 0.000 0.930 961 K CB -0.117 32.413 32.500 0.050 0.000 0.716 961 K HN 0.334 nan 8.250 nan 0.000 0.444 962 Q N -0.545 119.334 119.800 0.132 0.000 1.946 962 Q HA -0.155 4.187 4.340 0.004 0.000 0.199 962 Q C 1.996 178.078 176.000 0.136 0.000 0.979 962 Q CA 1.740 57.616 55.803 0.122 0.000 0.834 962 Q CB -0.216 28.607 28.738 0.141 0.000 0.899 962 Q HN 0.383 nan 8.270 nan 0.000 0.431 963 Y N 0.689 120.976 120.300 -0.021 0.000 2.181 963 Y HA -0.286 4.266 4.550 0.004 0.000 0.284 963 Y C 2.081 177.961 175.900 -0.034 0.000 1.179 963 Y CA 1.138 59.218 58.100 -0.034 0.000 1.179 963 Y CB -0.431 38.014 38.460 -0.026 0.000 0.973 963 Y HN 0.210 nan 8.280 nan 0.000 0.519 964 L N -0.480 120.852 121.223 0.182 0.000 2.027 964 L HA -0.210 4.133 4.340 0.004 0.000 0.206 964 L C 2.549 179.468 176.870 0.081 0.000 1.074 964 L CA 1.820 56.752 54.840 0.153 0.000 0.745 964 L CB -0.286 41.879 42.059 0.177 0.000 0.898 964 L HN 0.183 nan 8.230 nan 0.000 0.433 965 E N 0.569 120.808 120.200 0.065 0.000 2.047 965 E HA -0.246 4.107 4.350 0.004 0.000 0.191 965 E C 1.851 178.438 176.600 -0.021 0.000 0.987 965 E CA 1.627 58.045 56.400 0.030 0.000 0.799 965 E CB -0.065 29.653 29.700 0.029 0.000 0.752 965 E HN 0.437 nan 8.360 nan 0.000 0.449 966 E N 0.163 120.335 120.200 -0.046 0.000 2.070 966 E HA -0.240 4.112 4.350 0.004 0.000 0.197 966 E C 2.042 178.559 176.600 -0.139 0.000 1.004 966 E CA 1.367 57.706 56.400 -0.102 0.000 0.805 966 E CB -0.322 29.282 29.700 -0.159 0.000 0.744 966 E HN 0.420 nan 8.360 nan 0.000 0.451 967 A N 1.082 123.792 122.820 -0.182 0.000 2.067 967 A HA -0.159 4.164 4.320 0.004 0.000 0.217 967 A C 1.784 179.168 177.584 -0.334 0.000 1.156 967 A CA 1.274 53.107 52.037 -0.340 0.000 0.683 967 A CB -0.141 18.541 19.000 -0.530 0.000 0.808 967 A HN 0.114 nan 8.150 nan 0.000 0.455 968 D N 0.640 120.947 120.400 -0.155 0.000 2.084 968 D HA -0.182 4.460 4.640 0.004 0.000 0.196 968 D C 2.297 178.584 176.300 -0.022 0.000 0.985 968 D CA 1.651 55.637 54.000 -0.022 0.000 0.826 968 D CB -0.193 40.645 40.800 0.063 0.000 0.978 968 D HN 0.612 nan 8.370 nan 0.000 0.456 969 R N 0.641 121.121 120.500 -0.033 0.000 2.096 969 R HA -0.081 4.262 4.340 0.004 0.000 0.235 969 R C 2.274 178.549 176.300 -0.041 0.000 1.127 969 R CA 1.357 57.443 56.100 -0.024 0.000 0.968 969 R CB -0.431 29.852 30.300 -0.028 0.000 0.861 969 R HN 0.071 nan 8.270 nan 0.000 0.440 970 K N 0.763 121.112 120.400 -0.085 0.000 2.211 970 K HA -0.102 4.220 4.320 0.004 0.000 0.203 970 K C 1.958 178.511 176.600 -0.078 0.000 1.050 970 K CA 0.847 57.077 56.287 -0.095 0.000 0.945 970 K CB -0.036 32.377 32.500 -0.145 0.000 0.732 970 K HN 0.206 nan 8.250 nan 0.000 0.451 971 L N 1.171 122.347 121.223 -0.078 0.000 2.141 971 L HA -0.088 4.254 4.340 0.004 0.000 0.209 971 L C 1.884 178.779 176.870 0.041 0.000 1.094 971 L CA 1.267 56.099 54.840 -0.012 0.000 0.763 971 L CB -0.536 41.557 42.059 0.056 0.000 0.908 971 L HN 0.189 nan 8.230 nan 0.000 0.437 972 L N -0.397 120.847 121.223 0.035 0.000 2.046 972 L HA -0.222 4.121 4.340 0.004 0.000 0.208 972 L C 2.504 179.403 176.870 0.048 0.000 1.077 972 L CA 1.799 56.669 54.840 0.049 0.000 0.747 972 L CB -0.638 41.443 42.059 0.038 0.000 0.896 972 L HN 0.426 nan 8.230 nan 0.000 0.432 973 Q N -0.662 119.153 119.800 0.024 0.000 2.124 973 Q HA -0.189 4.154 4.340 0.004 0.000 0.202 973 Q C 2.205 178.231 176.000 0.042 0.000 0.977 973 Q CA 2.143 57.959 55.803 0.023 0.000 0.850 973 Q CB -0.209 28.524 28.738 -0.007 0.000 0.901 973 Q HN 0.599 nan 8.270 nan 0.000 0.429 974 I N 0.411 121.004 120.570 0.039 0.000 2.394 974 I HA -0.222 3.950 4.170 0.004 0.000 0.251 974 I C 2.212 178.401 176.117 0.121 0.000 1.136 974 I CA 0.800 62.137 61.300 0.061 0.000 1.425 974 I CB -0.174 37.849 38.000 0.038 0.000 1.079 974 I HN 0.159 nan 8.210 nan 0.000 0.425 975 E N 0.810 121.084 120.200 0.122 0.000 2.028 975 E HA -0.198 4.155 4.350 0.004 0.000 0.190 975 E C 2.208 178.910 176.600 0.170 0.000 0.984 975 E CA 1.138 57.640 56.400 0.169 0.000 0.800 975 E CB -0.243 29.539 29.700 0.136 0.000 0.758 975 E HN 0.576 nan 8.360 nan 0.000 0.448 976 Q N 0.176 120.046 119.800 0.117 0.000 2.234 976 Q HA -0.109 4.233 4.340 0.004 0.000 0.206 976 Q C 1.960 178.039 176.000 0.131 0.000 0.980 976 Q CA 1.302 57.166 55.803 0.101 0.000 0.869 976 Q CB -0.136 28.647 28.738 0.074 0.000 0.912 976 Q HN 0.169 nan 8.270 nan 0.000 0.436 977 A N -0.358 122.556 122.820 0.157 0.000 2.119 977 A HA -0.144 4.178 4.320 0.004 0.000 0.217 977 A C 1.634 179.392 177.584 0.290 0.000 1.153 977 A CA 0.775 52.938 52.037 0.209 0.000 0.692 977 A CB -0.258 18.821 19.000 0.132 0.000 0.799 977 A HN 0.483 nan 8.150 nan 0.000 0.458 978 Y N 0.321 120.691 120.300 0.116 0.000 2.441 978 Y HA 0.148 4.700 4.550 0.004 0.000 0.288 978 Y C 1.827 177.774 175.900 0.077 0.000 1.118 978 Y CA 1.005 59.167 58.100 0.103 0.000 1.215 978 Y CB 0.026 38.538 38.460 0.087 0.000 1.118 978 Y HN 0.396 nan 8.280 nan 0.000 0.547 979 E N -0.259 119.927 120.200 -0.023 0.000 2.401 979 E HA -0.137 4.216 4.350 0.004 0.000 0.199 979 E C 1.507 178.035 176.600 -0.119 0.000 1.023 979 E CA 0.883 57.210 56.400 -0.122 0.000 0.859 979 E CB -0.013 29.682 29.700 -0.008 0.000 0.780 979 E HN 0.485 nan 8.360 nan 0.000 0.523 980 M N -1.580 117.984 119.600 -0.059 0.000 2.534 980 M HA 0.165 4.647 4.480 0.004 0.000 0.263 980 M C 1.572 177.782 176.300 -0.149 0.000 1.152 980 M CA 0.945 56.200 55.300 -0.074 0.000 1.145 980 M CB 0.364 32.967 32.600 0.005 0.000 1.333 980 M HN 0.226 nan 8.290 nan 0.000 0.477 981 G N -0.529 108.200 108.800 -0.118 0.000 2.159 981 G HA2 -0.223 3.739 3.960 0.004 0.000 0.170 981 G HA3 -0.223 3.739 3.960 0.004 0.000 0.170 981 G C 0.712 175.614 174.900 0.003 0.000 1.007 981 G CA -0.157 44.874 45.100 -0.115 0.000 0.672 981 G HN 0.379 nan 8.290 nan 0.000 0.507 982 F N 0.690 120.666 119.950 0.044 0.000 2.128 982 F HA 0.308 4.837 4.527 0.004 0.000 0.295 982 F C 1.656 177.515 175.800 0.099 0.000 1.100 982 F CA 0.897 58.934 58.000 0.061 0.000 1.260 982 F CB 0.115 39.148 39.000 0.054 0.000 1.009 982 F HN 0.137 nan 8.300 nan 0.000 0.476 983 L N -0.284 121.173 121.223 0.389 0.000 2.289 983 L HA 0.376 4.718 4.340 0.004 0.000 0.285 983 L C 0.292 177.353 176.870 0.318 0.000 1.049 983 L CA -0.625 54.389 54.840 0.290 0.000 0.804 983 L CB 0.935 43.133 42.059 0.231 0.000 1.195 983 L HN -0.270 nan 8.230 nan 0.000 0.428 984 T N 0.199 114.871 114.554 0.197 0.000 2.900 984 T HA -0.070 4.282 4.350 0.004 0.000 0.307 984 T C 1.145 175.901 174.700 0.093 0.000 1.065 984 T CA -0.093 62.110 62.100 0.172 0.000 1.105 984 T CB 0.580 69.512 68.868 0.107 0.000 0.979 984 T HN 0.836 nan 8.240 nan 0.000 0.544 985 D N 1.651 122.109 120.400 0.097 0.000 2.200 985 D HA -0.180 4.463 4.640 0.004 0.000 0.192 985 D C 2.086 178.324 176.300 -0.104 0.000 1.008 985 D CA 1.484 55.434 54.000 -0.083 0.000 0.872 985 D CB 0.115 40.927 40.800 0.020 0.000 0.923 985 D HN 0.441 nan 8.370 nan 0.000 0.447 986 R N 0.952 121.450 120.500 -0.004 0.000 2.064 986 R HA -0.071 4.272 4.340 0.004 0.000 0.228 986 R C 2.270 178.614 176.300 0.074 0.000 1.144 986 R CA 1.972 58.104 56.100 0.053 0.000 0.932 986 R CB -0.709 29.627 30.300 0.060 0.000 0.833 986 R HN 0.137 nan 8.270 nan 0.000 0.429 987 E N 0.348 120.578 120.200 0.050 0.000 2.136 987 E HA -0.321 4.032 4.350 0.004 0.000 0.202 987 E C 2.007 178.623 176.600 0.026 0.000 1.019 987 E CA 1.671 58.097 56.400 0.043 0.000 0.819 987 E CB -0.290 29.443 29.700 0.056 0.000 0.739 987 E HN 0.199 nan 8.360 nan 0.000 0.458 988 R N 0.618 121.105 120.500 -0.020 0.000 2.082 988 R HA -0.221 4.121 4.340 0.004 0.000 0.234 988 R C 2.248 178.569 176.300 0.036 0.000 1.136 988 R CA 1.950 58.016 56.100 -0.056 0.000 0.935 988 R CB -0.930 29.181 30.300 -0.315 0.000 0.842 988 R HN 0.315 nan 8.270 nan 0.000 0.430 989 Y N 2.072 122.320 120.300 -0.086 0.000 2.030 989 Y HA -0.249 4.304 4.550 0.004 0.000 0.274 989 Y C 1.824 177.728 175.900 0.008 0.000 1.153 989 Y CA 2.475 60.557 58.100 -0.030 0.000 1.115 989 Y CB -0.827 37.609 38.460 -0.041 0.000 0.969 989 Y HN 0.264 nan 8.280 nan 0.000 0.488 990 D N -0.516 119.844 120.400 -0.066 0.000 2.182 990 D HA -0.210 4.433 4.640 0.004 0.000 0.201 990 D C 2.138 178.378 176.300 -0.100 0.000 0.986 990 D CA 1.478 55.387 54.000 -0.151 0.000 0.847 990 D CB -0.169 40.609 40.800 -0.037 0.000 0.942 990 D HN 0.434 nan 8.370 nan 0.000 0.467 991 Q N -0.136 119.637 119.800 -0.044 0.000 2.137 991 Q HA -0.037 4.306 4.340 0.004 0.000 0.198 991 Q C 2.196 178.176 176.000 -0.032 0.000 0.960 991 Q CA 0.597 56.380 55.803 -0.034 0.000 0.847 991 Q CB 0.137 28.865 28.738 -0.016 0.000 0.915 991 Q HN 0.418 nan 8.270 nan 0.000 0.448 992 I N 0.812 121.380 120.570 -0.003 0.000 2.252 992 I HA -0.295 3.878 4.170 0.004 0.000 0.245 992 I C 2.224 178.413 176.117 0.120 0.000 1.102 992 I CA 0.757 62.096 61.300 0.066 0.000 1.385 992 I CB -0.334 37.759 38.000 0.156 0.000 1.064 992 I HN 0.168 nan 8.210 nan 0.000 0.414 993 L N -0.079 121.149 121.223 0.007 0.000 2.012 993 L HA -0.253 4.089 4.340 0.004 0.000 0.210 993 L C 2.621 179.521 176.870 0.050 0.000 1.073 993 L CA 1.378 56.228 54.840 0.016 0.000 0.748 993 L CB -0.964 40.983 42.059 -0.185 0.000 0.891 993 L HN 0.250 nan 8.230 nan 0.000 0.431 994 Q N 0.380 120.169 119.800 -0.018 0.000 2.226 994 Q HA -0.179 4.164 4.340 0.004 0.000 0.204 994 Q C 2.005 177.981 176.000 -0.040 0.000 0.975 994 Q CA 1.355 57.144 55.803 -0.024 0.000 0.866 994 Q CB -0.329 28.385 28.738 -0.041 0.000 0.915 994 Q HN 0.376 nan 8.270 nan 0.000 0.440 995 L N -1.301 119.868 121.223 -0.091 0.000 2.056 995 L HA -0.067 4.275 4.340 0.004 0.000 0.207 995 L C 1.469 178.169 176.870 -0.283 0.000 1.078 995 L CA 1.760 56.453 54.840 -0.245 0.000 0.749 995 L CB -0.486 41.329 42.059 -0.406 0.000 0.901 995 L HN 0.313 nan 8.230 nan 0.000 0.433 996 W N -0.715 120.577 121.300 -0.012 0.000 2.443 996 W HA -0.038 4.624 4.660 0.004 0.000 0.296 996 W C 2.466 178.981 176.519 -0.007 0.000 1.202 996 W CA 1.174 58.517 57.345 -0.002 0.000 1.312 996 W CB -0.907 28.552 29.460 -0.001 0.000 1.120 996 W HN -0.054 nan 8.180 nan 0.000 0.536 997 T N 0.237 114.907 114.554 0.194 0.000 2.685 997 T HA -0.319 4.033 4.350 0.004 0.000 0.268 997 T C 1.459 176.199 174.700 0.066 0.000 1.034 997 T CA 2.041 64.201 62.100 0.100 0.000 1.149 997 T CB -0.280 68.618 68.868 0.049 0.000 0.860 997 T HN 0.282 nan 8.240 nan 0.000 0.449 998 E N -0.359 119.866 120.200 0.041 0.000 2.060 998 E HA -0.083 4.269 4.350 0.004 0.000 0.189 998 E C 2.499 179.126 176.600 0.045 0.000 0.974 998 E CA 0.951 57.364 56.400 0.022 0.000 0.808 998 E CB -0.090 29.602 29.700 -0.014 0.000 0.768 998 E HN 0.307 nan 8.360 nan 0.000 0.453 999 T N -0.478 114.099 114.554 0.038 0.000 2.720 999 T HA -0.196 4.156 4.350 0.004 0.000 0.268 999 T C 1.994 176.771 174.700 0.127 0.000 1.037 999 T CA 2.071 64.220 62.100 0.082 0.000 1.144 999 T CB -0.526 68.333 68.868 -0.016 0.000 0.864 999 T HN 0.272 nan 8.240 nan 0.000 0.444 1000 T N 0.490 115.129 114.554 0.142 0.000 2.674 1000 T HA -0.121 4.231 4.350 0.004 0.000 0.265 1000 T C 1.915 176.625 174.700 0.017 0.000 1.039 1000 T CA 1.750 63.906 62.100 0.092 0.000 1.150 1000 T CB -0.506 68.418 68.868 0.092 0.000 0.864 1000 T HN 0.374 nan 8.240 nan 0.000 0.427 1001 E N 0.540 120.752 120.200 0.020 0.000 2.209 1001 E HA -0.137 4.215 4.350 0.004 0.000 0.196 1001 E C 2.260 178.846 176.600 -0.024 0.000 0.993 1001 E CA 1.021 57.414 56.400 -0.013 0.000 0.819 1001 E CB -0.137 29.566 29.700 0.005 0.000 0.745 1001 E HN 0.549 nan 8.360 nan 0.000 0.477 1002 K N 0.015 120.429 120.400 0.024 0.000 2.026 1002 K HA -0.105 4.218 4.320 0.004 0.000 0.208 1002 K C 2.154 178.642 176.600 -0.188 0.000 1.048 1002 K CA 1.117 57.437 56.287 0.055 0.000 0.929 1002 K CB -0.211 32.482 32.500 0.320 0.000 0.713 1002 K HN 0.010 nan 8.250 nan 0.000 0.439 1003 V N 1.159 120.938 119.914 -0.225 0.000 2.515 1003 V HA -0.239 3.883 4.120 0.004 0.000 0.250 1003 V C 1.677 177.608 176.094 -0.272 0.000 1.058 1003 V CA 2.127 64.226 62.300 -0.335 0.000 1.064 1003 V CB -0.342 31.361 31.823 -0.201 0.000 0.675 1003 V HN 0.433 nan 8.190 nan 0.000 0.461 1004 T N -0.097 114.324 114.554 -0.221 0.000 2.516 1004 T HA -0.340 4.012 4.350 0.004 0.000 0.261 1004 T C 1.793 176.284 174.700 -0.348 0.000 1.130 1004 T CA 2.442 64.360 62.100 -0.302 0.000 1.193 1004 T CB -0.394 68.328 68.868 -0.243 0.000 0.864 1004 T HN 0.528 nan 8.240 nan 0.000 0.410 1005 Q N 0.545 120.222 119.800 -0.205 0.000 2.234 1005 Q HA -0.037 4.305 4.340 0.004 0.000 0.206 1005 Q C 2.215 178.166 176.000 -0.081 0.000 0.980 1005 Q CA 1.491 57.242 55.803 -0.087 0.000 0.869 1005 Q CB -0.525 28.206 28.738 -0.012 0.000 0.912 1005 Q HN 0.567 nan 8.270 nan 0.000 0.436 1006 A N -0.828 121.880 122.820 -0.185 0.000 1.858 1006 A HA -0.163 4.160 4.320 0.004 0.000 0.216 1006 A C 2.178 179.639 177.584 -0.204 0.000 1.190 1006 A CA 1.698 53.599 52.037 -0.227 0.000 0.617 1006 A CB -0.949 17.785 19.000 -0.445 0.000 0.827 1006 A HN 0.258 nan 8.150 nan 0.000 0.443 1007 V N -0.666 119.107 119.914 -0.234 0.000 2.255 1007 V HA -0.314 3.809 4.120 0.004 0.000 0.247 1007 V C 2.382 178.379 176.094 -0.162 0.000 1.051 1007 V CA 2.204 64.341 62.300 -0.271 0.000 1.018 1007 V CB -1.269 30.453 31.823 -0.167 0.000 0.641 1007 V HN 0.607 nan 8.190 nan 0.000 0.445 1008 F N 0.481 120.395 119.950 -0.060 0.000 2.126 1008 F HA -0.250 4.280 4.527 0.004 0.000 0.299 1008 F C 2.671 178.419 175.800 -0.087 0.000 1.096 1008 F CA 1.772 59.810 58.000 0.062 0.000 1.255 1008 F CB -0.232 38.844 39.000 0.126 0.000 0.997 1008 F HN 0.136 nan 8.300 nan 0.000 0.479 1009 K N 0.879 121.342 120.400 0.104 0.000 2.113 1009 K HA -0.256 4.067 4.320 0.004 0.000 0.208 1009 K C 1.886 178.428 176.600 -0.096 0.000 1.047 1009 K CA 1.528 57.820 56.287 0.007 0.000 0.928 1009 K CB -0.316 32.176 32.500 -0.013 0.000 0.716 1009 K HN 0.173 nan 8.250 nan 0.000 0.446 1010 N N -0.165 118.410 118.700 -0.209 0.000 2.080 1010 N HA -0.130 4.613 4.740 0.004 0.000 0.189 1010 N C 1.730 177.069 175.510 -0.285 0.000 1.036 1010 N CA 1.343 54.216 53.050 -0.295 0.000 0.846 1010 N CB -0.145 38.102 38.487 -0.401 0.000 1.015 1010 N HN 0.101 nan 8.380 nan 0.000 0.423 1011 F N 2.115 121.919 119.950 -0.243 0.000 2.095 1011 F HA -0.117 4.413 4.527 0.004 0.000 0.298 1011 F C 2.683 178.204 175.800 -0.465 0.000 1.104 1011 F CA 1.003 58.698 58.000 -0.508 0.000 1.232 1011 F CB -0.996 37.156 39.000 -1.413 0.000 0.987 1011 F HN 0.196 nan 8.300 nan 0.000 0.475 1012 E N 0.432 120.517 120.200 -0.191 0.000 2.038 1012 E HA -0.235 4.117 4.350 0.004 0.000 0.195 1012 E C 1.992 178.605 176.600 0.022 0.000 1.000 1012 E CA 1.831 58.269 56.400 0.063 0.000 0.803 1012 E CB -0.105 29.648 29.700 0.087 0.000 0.750 1012 E HN 0.541 nan 8.360 nan 0.000 0.448 1013 E N -0.561 119.605 120.200 -0.056 0.000 2.086 1013 E HA -0.051 4.302 4.350 0.004 0.000 0.190 1013 E C 1.887 178.395 176.600 -0.153 0.000 0.975 1013 E CA 0.624 56.973 56.400 -0.086 0.000 0.813 1013 E CB 0.116 29.759 29.700 -0.096 0.000 0.768 1013 E HN 0.285 nan 8.360 nan 0.000 0.457 1014 N N -0.277 118.255 118.700 -0.279 0.000 2.499 1014 N HA -0.014 4.729 4.740 0.004 0.000 0.182 1014 N C -0.077 175.132 175.510 -0.502 0.000 1.034 1014 N CA 0.636 53.378 53.050 -0.512 0.000 0.882 1014 N CB 0.367 38.336 38.487 -0.864 0.000 1.125 1014 N HN 0.099 nan 8.380 nan 0.000 0.436 1015 Y N 0.440 120.795 120.300 0.090 0.000 2.837 1015 Y HA 0.425 4.977 4.550 0.004 0.000 0.356 1015 Y C -1.840 174.221 175.900 0.269 0.000 1.035 1015 Y CA -2.362 55.849 58.100 0.184 0.000 1.165 1015 Y CB 1.365 39.984 38.460 0.265 0.000 1.147 1015 Y HN -0.022 nan 8.280 nan 0.000 0.628 1016 P HA -0.117 nan 4.420 nan 0.000 0.220 1016 P C 0.174 177.663 177.300 0.316 0.000 1.148 1016 P CA 1.545 64.799 63.100 0.256 0.000 0.803 1016 P CB 0.177 31.795 31.700 -0.135 0.000 0.782 1017 F N -0.499 119.630 119.950 0.299 0.000 2.732 1017 F HA 0.188 4.717 4.527 0.004 0.000 0.312 1017 F C 0.840 176.770 175.800 0.215 0.000 1.240 1017 F CA -1.072 57.059 58.000 0.220 0.000 1.211 1017 F CB -0.092 39.017 39.000 0.183 0.000 1.331 1017 F HN -0.128 nan 8.300 nan 0.000 0.537 1018 N N 2.287 121.243 118.700 0.427 0.000 2.419 1018 N HA 0.149 4.891 4.740 0.004 0.000 0.264 1018 N C -2.047 173.517 175.510 0.091 0.000 1.031 1018 N CA -1.701 51.495 53.050 0.242 0.000 0.951 1018 N CB 1.812 40.428 38.487 0.215 0.000 1.101 1018 N HN 0.030 nan 8.380 nan 0.000 0.488 1019 P HA -0.204 nan 4.420 nan 0.000 0.217 1019 P C 1.542 178.809 177.300 -0.056 0.000 1.158 1019 P CA 1.007 64.103 63.100 -0.007 0.000 0.887 1019 P CB 0.315 32.013 31.700 -0.004 0.000 0.792 1020 L N -2.274 118.904 121.223 -0.075 0.000 2.023 1020 L HA -0.133 4.209 4.340 0.004 0.000 0.205 1020 L C 2.490 179.258 176.870 -0.171 0.000 1.073 1020 L CA 1.590 56.367 54.840 -0.105 0.000 0.745 1020 L CB -1.394 40.613 42.059 -0.087 0.000 0.900 1020 L HN -0.052 nan 8.230 nan 0.000 0.435 1021 Y N -1.085 118.913 120.300 -0.504 0.000 2.097 1021 Y HA -0.274 4.279 4.550 0.004 0.000 0.282 1021 Y C 2.310 177.987 175.900 -0.373 0.000 1.152 1021 Y CA 2.054 59.785 58.100 -0.614 0.000 1.136 1021 Y CB -0.181 37.726 38.460 -0.921 0.000 0.975 1021 Y HN -0.006 nan 8.280 nan 0.000 0.498 1022 V N 1.202 120.862 119.914 -0.423 0.000 2.392 1022 V HA -0.399 3.723 4.120 0.004 0.000 0.249 1022 V C 2.337 178.135 176.094 -0.493 0.000 1.059 1022 V CA 2.341 64.306 62.300 -0.559 0.000 1.051 1022 V CB -0.659 30.994 31.823 -0.283 0.000 0.658 1022 V HN 0.554 nan 8.190 nan 0.000 0.455 1023 M N -0.328 119.094 119.600 -0.296 0.000 2.108 1023 M HA -0.172 4.310 4.480 0.004 0.000 0.261 1023 M C 2.334 178.510 176.300 -0.208 0.000 1.066 1023 M CA 2.183 57.355 55.300 -0.212 0.000 1.107 1023 M CB -0.541 31.986 32.600 -0.121 0.000 1.356 1023 M HN 0.417 nan 8.290 nan 0.000 0.406 1024 A N -0.451 122.240 122.820 -0.214 0.000 1.872 1024 A HA -0.132 4.190 4.320 0.004 0.000 0.214 1024 A C 2.135 179.581 177.584 -0.230 0.000 1.187 1024 A CA 1.059 52.999 52.037 -0.161 0.000 0.614 1024 A CB -0.499 18.445 19.000 -0.095 0.000 0.826 1024 A HN 0.402 nan 8.150 nan 0.000 0.442 1025 Q N 0.849 120.410 119.800 -0.398 0.000 2.020 1025 Q HA -0.048 4.294 4.340 0.004 0.000 0.202 1025 Q C 0.883 176.699 176.000 -0.308 0.000 0.982 1025 Q CA 1.079 56.644 55.803 -0.397 0.000 0.838 1025 Q CB -0.636 27.732 28.738 -0.616 0.000 0.899 1025 Q HN 0.581 nan 8.270 nan 0.000 0.423 1026 S N 0.002 115.420 115.700 -0.469 0.000 2.573 1026 S HA 0.131 4.603 4.470 0.004 0.000 0.277 1026 S C 1.244 175.753 174.600 -0.152 0.000 1.346 1026 S CA 0.120 58.121 58.200 -0.333 0.000 1.034 1026 S CB 0.925 63.849 63.200 -0.459 0.000 0.879 1026 S HN 0.508 nan 8.310 nan 0.000 0.528 1027 G N 1.039 109.805 108.800 -0.056 0.000 2.615 1027 G HA2 0.054 4.017 3.960 0.004 0.000 0.213 1027 G HA3 0.054 4.017 3.960 0.004 0.000 0.213 1027 G C 1.079 175.961 174.900 -0.031 0.000 1.135 1027 G CA 0.575 45.657 45.100 -0.030 0.000 0.772 1027 G HN 0.837 nan 8.290 nan 0.000 0.542 1028 A N 0.294 123.081 122.820 -0.055 0.000 2.848 1028 A HA 0.154 4.476 4.320 0.004 0.000 0.181 1028 A C 1.348 178.915 177.584 -0.029 0.000 1.005 1028 A CA 0.986 52.999 52.037 -0.040 0.000 1.013 1028 A CB -0.102 18.852 19.000 -0.077 0.000 0.808 1028 A HN 0.327 nan 8.150 nan 0.000 0.570 1029 R N -1.915 118.558 120.500 -0.045 0.000 2.621 1029 R HA 0.524 4.867 4.340 0.004 0.000 0.284 1029 R C -0.739 175.544 176.300 -0.029 0.000 0.998 1029 R CA 0.341 56.427 56.100 -0.023 0.000 0.895 1029 R CB 2.086 32.380 30.300 -0.010 0.000 1.195 1029 R HN 1.514 nan 8.270 nan 0.000 0.450 1030 G N 1.997 110.795 108.800 -0.004 0.000 2.317 1030 G HA2 -0.050 3.913 3.960 0.004 0.000 0.445 1030 G HA3 -0.050 3.913 3.960 0.004 0.000 0.445 1030 G C -2.040 172.886 174.900 0.044 0.000 1.486 1030 G CA -0.910 44.200 45.100 0.017 0.000 0.991 1030 G HN 0.555 nan 8.290 nan 0.000 0.660 1031 N N 1.770 120.516 118.700 0.077 0.000 2.336 1031 N HA 0.476 5.218 4.740 0.004 0.000 0.290 1031 N C -2.087 173.518 175.510 0.159 0.000 1.058 1031 N CA -1.693 51.416 53.050 0.098 0.000 0.865 1031 N CB 2.999 41.519 38.487 0.055 0.000 1.581 1031 N HN 0.050 nan 8.380 nan 0.000 0.480 1032 P HA -0.172 nan 4.420 nan 0.000 0.218 1032 P C 1.010 178.312 177.300 0.004 0.000 1.152 1032 P CA 1.524 64.776 63.100 0.253 0.000 0.857 1032 P CB 0.423 32.287 31.700 0.273 0.000 0.787 1033 Q N -0.999 118.806 119.800 0.008 0.000 2.230 1033 Q HA -0.121 4.222 4.340 0.004 0.000 0.202 1033 Q C 2.159 178.127 176.000 -0.053 0.000 0.963 1033 Q CA 1.516 57.295 55.803 -0.039 0.000 0.866 1033 Q CB -0.503 28.222 28.738 -0.022 0.000 0.931 1033 Q HN 0.349 nan 8.270 nan 0.000 0.452 1034 Q N -0.682 119.105 119.800 -0.022 0.000 2.020 1034 Q HA -0.095 4.247 4.340 0.004 0.000 0.198 1034 Q C 1.783 177.759 176.000 -0.040 0.000 0.974 1034 Q CA 1.111 56.887 55.803 -0.046 0.000 0.829 1034 Q CB -0.079 28.653 28.738 -0.010 0.000 0.894 1034 Q HN 0.333 nan 8.270 nan 0.000 0.433 1035 I N 1.068 121.664 120.570 0.043 0.000 2.185 1035 I HA -0.346 3.826 4.170 0.004 0.000 0.246 1035 I C 2.304 178.437 176.117 0.026 0.000 1.088 1035 I CA 1.650 63.012 61.300 0.104 0.000 1.347 1035 I CB -1.189 36.992 38.000 0.301 0.000 1.041 1035 I HN 0.285 nan 8.210 nan 0.000 0.415 1036 R N 0.650 121.112 120.500 -0.064 0.000 2.103 1036 R HA -0.204 4.138 4.340 0.004 0.000 0.242 1036 R C 2.171 178.409 176.300 -0.104 0.000 1.142 1036 R CA 1.537 57.572 56.100 -0.108 0.000 0.960 1036 R CB -0.098 30.118 30.300 -0.140 0.000 0.858 1036 R HN 0.549 nan 8.270 nan 0.000 0.439 1037 Q N -0.322 119.385 119.800 -0.155 0.000 2.436 1037 Q HA -0.103 4.240 4.340 0.004 0.000 0.209 1037 Q C 1.661 177.507 176.000 -0.255 0.000 0.965 1037 Q CA 0.771 56.411 55.803 -0.271 0.000 0.910 1037 Q CB 0.230 28.698 28.738 -0.450 0.000 0.980 1037 Q HN 0.315 nan 8.270 nan 0.000 0.491 1038 L N -1.978 119.181 121.223 -0.106 0.000 2.349 1038 L HA 0.008 4.350 4.340 0.004 0.000 0.200 1038 L C 2.023 178.931 176.870 0.063 0.000 1.064 1038 L CA 0.659 55.512 54.840 0.021 0.000 0.821 1038 L CB -0.122 41.976 42.059 0.065 0.000 1.027 1038 L HN 0.128 nan 8.230 nan 0.000 0.476 1039 C N -0.744 118.593 119.300 0.062 0.000 2.525 1039 C HA 0.371 4.834 4.460 0.004 0.000 0.291 1039 C C 2.074 177.062 174.990 -0.004 0.000 1.351 1039 C CA 0.094 59.146 59.018 0.056 0.000 1.771 1039 C CB -0.755 27.054 27.740 0.116 0.000 2.177 1039 C HN 0.571 nan 8.230 nan 0.000 0.510 1040 G N 0.478 109.258 108.800 -0.032 0.000 3.152 1040 G HA2 0.489 4.451 3.960 0.004 0.000 0.157 1040 G HA3 0.489 4.451 3.960 0.004 0.000 0.157 1040 G C -0.358 174.521 174.900 -0.036 0.000 1.786 1040 G CA 0.303 45.365 45.100 -0.063 0.000 1.055 1040 G HN 0.589 nan 8.290 nan 0.000 0.528 1041 L N -1.639 119.560 121.223 -0.040 0.000 2.493 1041 L HA 0.620 4.963 4.340 0.004 0.000 0.265 1041 L C -0.577 176.266 176.870 -0.045 0.000 0.954 1041 L CA -1.205 53.620 54.840 -0.025 0.000 0.844 1041 L CB 2.313 44.376 42.059 0.008 0.000 1.302 1041 L HN 0.584 nan 8.230 nan 0.000 0.405 1042 R N 2.065 122.525 120.500 -0.066 0.000 2.272 1042 R HA 0.356 4.699 4.340 0.004 0.000 0.334 1042 R C 0.425 176.696 176.300 -0.049 0.000 1.117 1042 R CA 0.105 56.161 56.100 -0.073 0.000 0.966 1042 R CB 1.012 31.242 30.300 -0.118 0.000 1.049 1042 R HN 0.948 nan 8.270 nan 0.000 0.477 1043 G N 3.773 112.548 108.800 -0.041 0.000 2.437 1043 G HA2 0.056 4.018 3.960 0.004 0.000 0.212 1043 G HA3 0.056 4.018 3.960 0.004 0.000 0.212 1043 G C 0.434 175.277 174.900 -0.096 0.000 1.174 1043 G CA -0.137 44.915 45.100 -0.080 0.000 0.811 1043 G HN 0.427 nan 8.290 nan 0.000 0.537 1044 L N 1.681 122.886 121.223 -0.029 0.000 2.349 1044 L HA 0.529 4.872 4.340 0.004 0.000 0.278 1044 L C -0.889 176.010 176.870 0.049 0.000 0.996 1044 L CA -0.586 54.253 54.840 -0.002 0.000 0.825 1044 L CB 2.184 44.255 42.059 0.020 0.000 1.243 1044 L HN 0.047 nan 8.230 nan 0.000 0.412 1045 M N 3.955 123.613 119.600 0.096 0.000 2.125 1045 M HA 0.314 4.796 4.480 0.004 0.000 0.321 1045 M C -0.314 176.163 176.300 0.296 0.000 0.983 1045 M CA -0.591 54.804 55.300 0.158 0.000 0.934 1045 M CB 1.763 34.451 32.600 0.147 0.000 1.542 1045 M HN 0.569 nan 8.290 nan 0.000 0.424 1046 Q N 2.037 121.958 119.800 0.201 0.000 2.454 1046 Q HA 0.328 4.671 4.340 0.004 0.000 0.247 1046 Q C -0.379 175.692 176.000 0.118 0.000 1.028 1046 Q CA -0.068 55.819 55.803 0.140 0.000 0.910 1046 Q CB 1.125 29.897 28.738 0.056 0.000 1.276 1046 Q HN 0.469 nan 8.270 nan 0.000 0.489 1047 K N 1.026 121.290 120.400 -0.226 0.000 2.332 1047 K HA 0.057 4.379 4.320 0.004 0.000 0.246 1047 K C -1.594 174.838 176.600 -0.280 0.000 1.066 1047 K CA -1.207 54.784 56.287 -0.493 0.000 0.898 1047 K CB -0.309 31.693 32.500 -0.830 0.000 1.192 1047 K HN 0.392 nan 8.250 nan 0.000 0.509 1048 P HA -0.214 nan 4.420 nan 0.000 0.213 1048 P C 1.367 178.607 177.300 -0.099 0.000 1.170 1048 P CA 1.689 64.680 63.100 -0.183 0.000 0.898 1048 P CB 0.005 31.611 31.700 -0.157 0.000 0.787 1049 S N -1.600 114.031 115.700 -0.115 0.000 2.378 1049 S HA -0.088 4.385 4.470 0.004 0.000 0.221 1049 S C 1.908 176.475 174.600 -0.057 0.000 1.037 1049 S CA 1.828 59.982 58.200 -0.077 0.000 1.069 1049 S CB -1.430 61.716 63.200 -0.089 0.000 1.006 1049 S HN 0.319 nan 8.310 nan 0.000 0.423 1050 G N 1.091 109.849 108.800 -0.069 0.000 3.990 1050 G HA2 0.017 3.979 3.960 0.004 0.000 0.213 1050 G HA3 0.017 3.979 3.960 0.004 0.000 0.213 1050 G C -0.261 174.624 174.900 -0.024 0.000 0.849 1050 G CA -0.061 45.019 45.100 -0.034 0.000 0.857 1050 G HN 0.737 nan 8.290 nan 0.000 0.484 1051 E N 2.655 122.828 120.200 -0.044 0.000 2.383 1051 E HA 0.351 4.704 4.350 0.004 0.000 0.257 1051 E C 0.638 177.242 176.600 0.006 0.000 1.079 1051 E CA 0.362 56.769 56.400 0.011 0.000 0.934 1051 E CB 0.124 29.793 29.700 -0.052 0.000 0.978 1051 E HN 0.291 nan 8.360 nan 0.000 0.462 1052 T N 1.945 116.562 114.554 0.105 0.000 2.903 1052 T HA 0.045 4.397 4.350 0.004 0.000 0.314 1052 T C -0.015 174.785 174.700 0.165 0.000 1.078 1052 T CA -0.537 61.624 62.100 0.102 0.000 1.114 1052 T CB 0.209 69.127 68.868 0.084 0.000 0.987 1052 T HN 0.388 nan 8.240 nan 0.000 0.548 1053 F N 1.142 121.156 119.950 0.106 0.000 2.496 1053 F HA 0.217 4.746 4.527 0.004 0.000 0.344 1053 F C 1.902 177.790 175.800 0.147 0.000 1.155 1053 F CA -0.029 58.035 58.000 0.107 0.000 1.302 1053 F CB 0.701 39.728 39.000 0.044 0.000 1.159 1053 F HN 0.887 nan 8.300 nan 0.000 0.595 1054 E N 0.842 121.306 120.200 0.441 0.000 2.158 1054 E HA -0.009 4.343 4.350 0.004 0.000 0.191 1054 E C -0.199 176.495 176.600 0.157 0.000 0.982 1054 E CA 0.371 56.971 56.400 0.334 0.000 0.823 1054 E CB 0.388 30.285 29.700 0.328 0.000 0.766 1054 E HN 0.286 nan 8.360 nan 0.000 0.468 1055 V N 3.082 123.061 119.914 0.108 0.000 2.465 1055 V HA 0.247 4.369 4.120 0.004 0.000 0.279 1055 V C -2.143 173.806 176.094 -0.243 0.000 1.045 1055 V CA -1.512 60.733 62.300 -0.092 0.000 0.938 1055 V CB 1.194 32.967 31.823 -0.084 0.000 0.986 1055 V HN 0.165 nan 8.190 nan 0.000 0.467 1056 P HA 0.335 nan 4.420 nan 0.000 0.281 1056 P C -0.812 176.256 177.300 -0.387 0.000 1.281 1056 P CA -0.511 62.253 63.100 -0.560 0.000 0.811 1056 P CB 0.704 31.723 31.700 -1.136 0.000 1.154 1057 V N 1.975 121.729 119.914 -0.268 0.000 2.174 1057 V HA 0.146 4.268 4.120 0.004 0.000 0.259 1057 V C 1.441 177.455 176.094 -0.134 0.000 1.261 1057 V CA -0.164 62.044 62.300 -0.154 0.000 1.137 1057 V CB -0.785 30.997 31.823 -0.067 0.000 1.290 1057 V HN 0.483 nan 8.190 nan 0.000 0.486 1058 R N 0.729 121.134 120.500 -0.158 0.000 2.316 1058 R HA -0.073 4.269 4.340 0.004 0.000 0.232 1058 R C 0.851 177.142 176.300 -0.015 0.000 1.137 1058 R CA 0.605 56.654 56.100 -0.084 0.000 1.012 1058 R CB -0.247 30.020 30.300 -0.054 0.000 0.859 1058 R HN 0.541 nan 8.270 nan 0.000 0.474 1059 S N -0.082 115.613 115.700 -0.008 0.000 2.722 1059 S HA 0.390 4.863 4.470 0.004 0.000 0.292 1059 S C 0.017 174.647 174.600 0.050 0.000 1.135 1059 S CA -0.915 57.300 58.200 0.026 0.000 1.003 1059 S CB 1.865 65.083 63.200 0.029 0.000 1.067 1059 S HN 0.256 nan 8.310 nan 0.000 0.546 1060 S N 0.306 116.050 115.700 0.073 0.000 2.747 1060 S HA 0.576 5.048 4.470 0.004 0.000 0.300 1060 S C -0.041 174.709 174.600 0.250 0.000 1.121 1060 S CA -0.610 57.651 58.200 0.102 0.000 0.995 1060 S CB 0.184 63.423 63.200 0.064 0.000 1.113 1060 S HN 0.479 nan 8.310 nan 0.000 0.547 1061 F N 0.662 120.593 119.950 -0.031 0.000 2.710 1061 F HA 0.283 4.812 4.527 0.004 0.000 0.298 1061 F C 2.418 178.195 175.800 -0.039 0.000 1.137 1061 F CA -0.253 57.717 58.000 -0.049 0.000 1.444 1061 F CB -0.541 38.434 39.000 -0.041 0.000 1.111 1061 F HN 0.507 nan 8.300 nan 0.000 0.580 1062 R N 0.935 121.538 120.500 0.172 0.000 2.070 1062 R HA -0.116 4.226 4.340 0.004 0.000 0.233 1062 R C 0.692 177.015 176.300 0.038 0.000 1.137 1062 R CA 1.016 57.168 56.100 0.087 0.000 0.945 1062 R CB -0.412 29.932 30.300 0.073 0.000 0.845 1062 R HN 0.165 nan 8.270 nan 0.000 0.430 1063 E N -0.793 119.430 120.200 0.038 0.000 2.250 1063 E HA 0.295 4.647 4.350 0.004 0.000 0.269 1063 E C -0.784 175.807 176.600 -0.014 0.000 1.018 1063 E CA -0.454 55.951 56.400 0.008 0.000 0.873 1063 E CB 1.101 30.809 29.700 0.014 0.000 1.134 1063 E HN 0.266 nan 8.360 nan 0.000 0.403 1064 G N 3.149 111.926 108.800 -0.039 0.000 2.151 1064 G HA2 0.042 4.004 3.960 0.004 0.000 0.269 1064 G HA3 0.042 4.004 3.960 0.004 0.000 0.269 1064 G C -0.240 174.620 174.900 -0.066 0.000 1.069 1064 G CA -0.089 44.967 45.100 -0.072 0.000 1.080 1064 G HN 0.459 nan 8.290 nan 0.000 0.405 1065 L N 3.967 125.119 121.223 -0.119 0.000 2.597 1065 L HA 0.219 4.562 4.340 0.004 0.000 0.271 1065 L C 1.250 178.075 176.870 -0.075 0.000 1.157 1065 L CA 0.230 55.021 54.840 -0.082 0.000 0.928 1065 L CB 0.143 42.112 42.059 -0.151 0.000 1.216 1065 L HN 0.473 nan 8.230 nan 0.000 0.481 1066 T N 3.082 117.625 114.554 -0.019 0.000 2.680 1066 T HA 0.081 4.433 4.350 0.004 0.000 0.314 1066 T C 1.591 176.318 174.700 0.045 0.000 1.045 1066 T CA 0.058 62.157 62.100 -0.001 0.000 1.025 1066 T CB 0.658 69.525 68.868 -0.001 0.000 1.000 1066 T HN 0.459 nan 8.240 nan 0.000 0.535 1067 V N 2.412 122.353 119.914 0.046 0.000 2.231 1067 V HA -0.160 3.962 4.120 0.004 0.000 0.250 1067 V C 2.572 178.733 176.094 0.111 0.000 1.058 1067 V CA 2.294 64.643 62.300 0.081 0.000 1.022 1067 V CB -0.919 30.923 31.823 0.032 0.000 0.640 1067 V HN 0.761 nan 8.190 nan 0.000 0.445 1068 L N -0.588 120.663 121.223 0.047 0.000 2.179 1068 L HA -0.056 4.287 4.340 0.004 0.000 0.208 1068 L C 2.420 179.337 176.870 0.078 0.000 1.096 1068 L CA 1.534 56.395 54.840 0.035 0.000 0.779 1068 L CB -0.398 41.632 42.059 -0.048 0.000 0.922 1068 L HN 0.319 nan 8.230 nan 0.000 0.443 1069 E N -1.332 118.904 120.200 0.060 0.000 2.160 1069 E HA -0.289 4.064 4.350 0.004 0.000 0.195 1069 E C 1.864 178.573 176.600 0.181 0.000 0.991 1069 E CA 1.601 58.039 56.400 0.062 0.000 0.810 1069 E CB -0.223 29.498 29.700 0.035 0.000 0.742 1069 E HN 0.635 nan 8.360 nan 0.000 0.466 1070 Y N -0.487 119.841 120.300 0.047 0.000 2.133 1070 Y HA -0.278 4.274 4.550 0.004 0.000 0.287 1070 Y C 2.165 178.102 175.900 0.061 0.000 1.134 1070 Y CA 0.774 58.904 58.100 0.051 0.000 1.133 1070 Y CB -0.053 38.422 38.460 0.025 0.000 0.987 1070 Y HN 0.049 nan 8.280 nan 0.000 0.502 1071 F N 0.699 120.641 119.950 -0.013 0.000 2.126 1071 F HA -0.323 4.206 4.527 0.004 0.000 0.299 1071 F C 2.053 177.780 175.800 -0.122 0.000 1.096 1071 F CA 1.260 59.169 58.000 -0.152 0.000 1.255 1071 F CB -0.500 38.441 39.000 -0.097 0.000 0.997 1071 F HN 0.032 nan 8.300 nan 0.000 0.479 1072 I N -0.308 120.414 120.570 0.253 0.000 2.163 1072 I HA -0.286 3.886 4.170 0.004 0.000 0.243 1072 I C 2.478 178.714 176.117 0.199 0.000 1.085 1072 I CA 1.510 62.937 61.300 0.213 0.000 1.347 1072 I CB -1.629 36.315 38.000 -0.092 0.000 1.044 1072 I HN 0.094 nan 8.210 nan 0.000 0.408 1073 S N 0.121 115.893 115.700 0.120 0.000 2.447 1073 S HA -0.130 4.342 4.470 0.004 0.000 0.233 1073 S C 2.161 176.785 174.600 0.040 0.000 1.006 1073 S CA 1.259 59.532 58.200 0.121 0.000 0.957 1073 S CB -0.195 63.113 63.200 0.180 0.000 0.773 1073 S HN 0.497 nan 8.310 nan 0.000 0.507 1074 S N 1.447 117.069 115.700 -0.131 0.000 2.370 1074 S HA -0.212 4.260 4.470 0.004 0.000 0.226 1074 S C 1.786 176.240 174.600 -0.244 0.000 1.033 1074 S CA 1.148 59.169 58.200 -0.297 0.000 1.011 1074 S CB -0.493 62.334 63.200 -0.622 0.000 0.852 1074 S HN 0.615 nan 8.310 nan 0.000 0.457 1075 H N 0.407 119.416 119.070 -0.102 0.000 2.319 1075 H HA -0.094 4.464 4.556 0.004 0.000 0.297 1075 H C 2.458 177.778 175.328 -0.014 0.000 1.097 1075 H CA 1.562 57.583 56.048 -0.045 0.000 1.285 1075 H CB -1.143 28.648 29.762 0.048 0.000 1.368 1075 H HN 0.581 nan 8.280 nan 0.000 0.495 1076 G N 0.469 109.356 108.800 0.144 0.000 2.418 1076 G HA2 -0.181 3.781 3.960 0.004 0.000 0.217 1076 G HA3 -0.181 3.781 3.960 0.004 0.000 0.217 1076 G C 2.043 176.968 174.900 0.041 0.000 1.158 1076 G CA 1.279 46.432 45.100 0.088 0.000 0.771 1076 G HN 0.525 nan 8.290 nan 0.000 0.545 1077 A N 0.668 123.500 122.820 0.021 0.000 1.908 1077 A HA -0.081 4.242 4.320 0.004 0.000 0.218 1077 A C 2.374 179.950 177.584 -0.012 0.000 1.181 1077 A CA 2.251 54.291 52.037 0.004 0.000 0.627 1077 A CB -0.406 18.590 19.000 -0.008 0.000 0.818 1077 A HN 0.301 nan 8.150 nan 0.000 0.445 1078 R N 0.157 120.638 120.500 -0.031 0.000 2.070 1078 R HA -0.038 4.304 4.340 0.004 0.000 0.233 1078 R C 2.089 178.384 176.300 -0.009 0.000 1.137 1078 R CA 1.896 57.976 56.100 -0.033 0.000 0.945 1078 R CB -0.432 29.836 30.300 -0.055 0.000 0.845 1078 R HN 0.511 nan 8.270 nan 0.000 0.430 1079 K N -0.814 119.592 120.400 0.010 0.000 2.103 1079 K HA -0.077 4.246 4.320 0.004 0.000 0.207 1079 K C 1.937 178.541 176.600 0.006 0.000 1.048 1079 K CA 1.399 57.693 56.287 0.013 0.000 0.930 1079 K CB -0.401 32.113 32.500 0.024 0.000 0.716 1079 K HN 0.425 nan 8.250 nan 0.000 0.444 1080 G N 0.941 109.746 108.800 0.008 0.000 2.446 1080 G HA2 -0.259 3.703 3.960 0.004 0.000 0.217 1080 G HA3 -0.259 3.703 3.960 0.004 0.000 0.217 1080 G C 1.591 176.490 174.900 -0.001 0.000 1.168 1080 G CA 1.207 46.310 45.100 0.005 0.000 0.771 1080 G HN 0.430 nan 8.290 nan 0.000 0.551 1081 G N 1.084 109.881 108.800 -0.005 0.000 2.421 1081 G HA2 0.032 3.994 3.960 0.004 0.000 0.216 1081 G HA3 0.032 3.994 3.960 0.004 0.000 0.216 1081 G C 2.096 176.990 174.900 -0.010 0.000 1.171 1081 G CA 1.647 46.741 45.100 -0.009 0.000 0.775 1081 G HN 0.679 nan 8.290 nan 0.000 0.543 1082 A N 0.895 123.709 122.820 -0.009 0.000 1.908 1082 A HA -0.079 4.244 4.320 0.004 0.000 0.218 1082 A C 2.095 179.674 177.584 -0.009 0.000 1.181 1082 A CA 2.277 54.309 52.037 -0.009 0.000 0.627 1082 A CB -0.584 18.412 19.000 -0.006 0.000 0.818 1082 A HN 0.326 nan 8.150 nan 0.000 0.445 1083 D N -0.580 119.817 120.400 -0.007 0.000 2.097 1083 D HA -0.120 4.523 4.640 0.004 0.000 0.195 1083 D C 2.381 178.674 176.300 -0.012 0.000 0.989 1083 D CA 2.227 56.222 54.000 -0.008 0.000 0.827 1083 D CB -0.265 40.532 40.800 -0.006 0.000 0.966 1083 D HN 0.586 nan 8.370 nan 0.000 0.456 1084 T N -1.387 113.160 114.554 -0.011 0.000 2.803 1084 T HA -0.126 4.227 4.350 0.004 0.000 0.269 1084 T C 2.020 176.711 174.700 -0.016 0.000 1.052 1084 T CA 1.306 63.398 62.100 -0.013 0.000 1.136 1084 T CB -0.456 68.406 68.868 -0.011 0.000 0.864 1084 T HN 0.112 nan 8.240 nan 0.000 0.467 1085 A N 1.103 123.914 122.820 -0.015 0.000 1.930 1085 A HA 0.247 4.570 4.320 0.004 0.000 0.217 1085 A C 2.225 179.797 177.584 -0.021 0.000 1.175 1085 A CA 0.968 52.994 52.037 -0.018 0.000 0.627 1085 A CB -0.744 18.245 19.000 -0.017 0.000 0.815 1085 A HN 0.446 nan 8.150 nan 0.000 0.443 1086 L N -1.393 119.819 121.223 -0.019 0.000 2.418 1086 L HA 0.126 4.468 4.340 0.004 0.000 0.218 1086 L C 2.395 179.254 176.870 -0.019 0.000 1.125 1086 L CA 0.924 55.752 54.840 -0.020 0.000 0.835 1086 L CB -0.161 41.889 42.059 -0.015 0.000 0.953 1086 L HN 0.358 nan 8.230 nan 0.000 0.454 1087 R N -1.545 118.943 120.500 -0.019 0.000 2.100 1087 R HA -0.065 4.277 4.340 0.004 0.000 0.220 1087 R C 2.096 178.384 176.300 -0.021 0.000 1.091 1087 R CA 1.456 57.544 56.100 -0.021 0.000 0.986 1087 R CB -0.168 30.117 30.300 -0.025 0.000 0.888 1087 R HN 0.181 nan 8.270 nan 0.000 0.444 1088 T N 0.277 114.818 114.554 -0.022 0.000 2.708 1088 T HA -0.138 4.214 4.350 0.004 0.000 0.266 1088 T C 1.747 176.434 174.700 -0.023 0.000 1.037 1088 T CA 1.449 63.536 62.100 -0.022 0.000 1.146 1088 T CB -0.328 68.526 68.868 -0.023 0.000 0.865 1088 T HN 0.421 nan 8.240 nan 0.000 0.435 1089 A N 1.700 124.502 122.820 -0.031 0.000 1.902 1089 A HA -0.121 4.202 4.320 0.004 0.000 0.217 1089 A C 1.975 179.543 177.584 -0.026 0.000 1.181 1089 A CA 1.952 53.961 52.037 -0.046 0.000 0.623 1089 A CB -0.718 18.240 19.000 -0.070 0.000 0.818 1089 A HN 0.457 nan 8.150 nan 0.000 0.443 1090 D N -1.187 119.208 120.400 -0.009 0.000 2.312 1090 D HA -0.013 4.630 4.640 0.004 0.000 0.211 1090 D C 2.010 178.331 176.300 0.034 0.000 0.964 1090 D CA 1.011 55.032 54.000 0.035 0.000 0.877 1090 D CB 0.074 40.887 40.800 0.022 0.000 0.924 1090 D HN 0.376 nan 8.370 nan 0.000 0.515 1091 S N -0.761 114.941 115.700 0.004 0.000 2.395 1091 S HA -0.009 4.464 4.470 0.004 0.000 0.225 1091 S C 2.069 176.664 174.600 -0.008 0.000 1.027 1091 S CA 1.175 59.367 58.200 -0.013 0.000 0.965 1091 S CB -0.279 62.910 63.200 -0.018 0.000 0.812 1091 S HN 0.352 nan 8.310 nan 0.000 0.482 1092 G N -1.028 107.779 108.800 0.011 0.000 2.421 1092 G HA2 -0.119 3.844 3.960 0.004 0.000 0.217 1092 G HA3 -0.119 3.844 3.960 0.004 0.000 0.217 1092 G C 1.272 176.211 174.900 0.065 0.000 1.143 1092 G CA 0.391 45.502 45.100 0.018 0.000 0.784 1092 G HN 0.605 nan 8.290 nan 0.000 0.541 1093 Y N -0.223 120.012 120.300 -0.107 0.000 2.200 1093 Y HA -0.059 4.494 4.550 0.004 0.000 0.290 1093 Y C 2.606 178.406 175.900 -0.167 0.000 1.137 1093 Y CA 0.298 58.309 58.100 -0.148 0.000 1.163 1093 Y CB 0.108 38.491 38.460 -0.127 0.000 0.988 1093 Y HN 0.160 nan 8.280 nan 0.000 0.518 1094 L N -0.143 121.038 121.223 -0.071 0.000 2.083 1094 L HA -0.209 4.133 4.340 0.004 0.000 0.209 1094 L C 2.309 179.048 176.870 -0.218 0.000 1.083 1094 L CA 2.173 56.888 54.840 -0.209 0.000 0.752 1094 L CB -0.792 41.137 42.059 -0.215 0.000 0.899 1094 L HN 0.197 nan 8.230 nan 0.000 0.433 1095 T N -1.768 112.706 114.554 -0.133 0.000 2.821 1095 T HA -0.200 4.153 4.350 0.004 0.000 0.267 1095 T C 2.007 176.643 174.700 -0.107 0.000 1.046 1095 T CA 1.287 63.327 62.100 -0.101 0.000 1.139 1095 T CB -0.229 68.607 68.868 -0.053 0.000 0.871 1095 T HN 0.254 nan 8.240 nan 0.000 0.454 1096 R N 1.388 121.805 120.500 -0.139 0.000 2.070 1096 R HA -0.055 4.288 4.340 0.004 0.000 0.233 1096 R C 2.346 178.500 176.300 -0.244 0.000 1.137 1096 R CA 1.438 57.429 56.100 -0.181 0.000 0.945 1096 R CB -0.076 30.095 30.300 -0.215 0.000 0.845 1096 R HN 0.309 nan 8.270 nan 0.000 0.430 1097 K N -0.027 120.156 120.400 -0.363 0.000 2.097 1097 K HA -0.157 4.165 4.320 0.004 0.000 0.206 1097 K C 2.021 178.562 176.600 -0.100 0.000 1.049 1097 K CA 1.272 57.389 56.287 -0.283 0.000 0.933 1097 K CB -0.173 32.127 32.500 -0.333 0.000 0.717 1097 K HN 0.072 nan 8.250 nan 0.000 0.442 1098 L N 0.388 121.556 121.223 -0.092 0.000 2.046 1098 L HA -0.176 4.166 4.340 0.004 0.000 0.208 1098 L C 2.172 179.063 176.870 0.036 0.000 1.077 1098 L CA 1.374 56.214 54.840 -0.000 0.000 0.747 1098 L CB -0.390 41.649 42.059 -0.033 0.000 0.896 1098 L HN -0.031 nan 8.230 nan 0.000 0.432 1099 V N -1.008 118.914 119.914 0.014 0.000 2.379 1099 V HA -0.243 3.879 4.120 0.004 0.000 0.245 1099 V C 2.187 178.374 176.094 0.155 0.000 1.044 1099 V CA 1.523 63.862 62.300 0.065 0.000 1.036 1099 V CB -0.531 31.306 31.823 0.024 0.000 0.664 1099 V HN 0.385 nan 8.190 nan 0.000 0.453 1100 D N 0.376 120.829 120.400 0.088 0.000 2.172 1100 D HA -0.162 4.481 4.640 0.004 0.000 0.196 1100 D C 1.892 178.330 176.300 0.229 0.000 0.999 1100 D CA 1.988 56.072 54.000 0.141 0.000 0.856 1100 D CB 0.027 40.849 40.800 0.037 0.000 0.934 1100 D HN 0.497 nan 8.370 nan 0.000 0.453 1101 V N -2.968 117.025 119.914 0.133 0.000 3.379 1101 V HA 0.159 4.282 4.120 0.004 0.000 0.249 1101 V C 1.845 177.941 176.094 0.002 0.000 1.184 1101 V CA 1.126 63.475 62.300 0.082 0.000 1.106 1101 V CB -0.057 31.833 31.823 0.112 0.000 0.826 1101 V HN 0.200 nan 8.190 nan 0.000 0.465 1102 T N -1.604 112.970 114.554 0.033 0.000 3.105 1102 T HA 0.106 4.459 4.350 0.004 0.000 0.253 1102 T C 1.655 176.335 174.700 -0.033 0.000 1.047 1102 T CA 0.482 62.581 62.100 -0.001 0.000 0.944 1102 T CB -0.798 68.107 68.868 0.061 0.000 1.016 1102 T HN 0.776 nan 8.240 nan 0.000 0.544 1103 H N 2.629 121.696 119.070 -0.006 0.000 2.353 1103 H HA -0.107 4.452 4.556 0.004 0.000 0.300 1103 H C 1.807 177.112 175.328 -0.038 0.000 1.090 1103 H CA 1.767 57.800 56.048 -0.025 0.000 1.327 1103 H CB -0.523 29.216 29.762 -0.039 0.000 1.383 1103 H HN 0.707 nan 8.280 nan 0.000 0.508 1104 E N 1.447 121.310 120.200 -0.561 0.000 2.204 1104 E HA -0.072 4.280 4.350 0.004 0.000 0.195 1104 E C 0.622 177.134 176.600 -0.148 0.000 0.990 1104 E CA 0.213 56.412 56.400 -0.335 0.000 0.821 1104 E CB -0.073 29.315 29.700 -0.520 0.000 0.750 1104 E HN 0.257 nan 8.360 nan 0.000 0.477 1105 I N 3.047 123.552 120.570 -0.109 0.000 2.576 1105 I HA 0.017 4.190 4.170 0.004 0.000 0.288 1105 I C -0.296 175.802 176.117 -0.031 0.000 1.126 1105 I CA 0.299 61.579 61.300 -0.033 0.000 1.362 1105 I CB 0.049 38.049 38.000 -0.000 0.000 1.419 1105 I HN -0.011 nan 8.210 nan 0.000 0.533 1106 V N 7.107 127.006 119.914 -0.026 0.000 2.925 1106 V HA 0.348 4.470 4.120 0.004 0.000 0.311 1106 V C -0.062 176.009 176.094 -0.040 0.000 1.104 1106 V CA -0.955 61.321 62.300 -0.040 0.000 0.954 1106 V CB 2.398 34.207 31.823 -0.025 0.000 1.022 1106 V HN 0.253 nan 8.190 nan 0.000 0.427 1107 V N 5.285 125.159 119.914 -0.067 0.000 2.387 1107 V HA 0.394 4.516 4.120 0.004 0.000 0.260 1107 V C 0.283 176.358 176.094 -0.031 0.000 1.054 1107 V CA -0.223 62.043 62.300 -0.057 0.000 0.967 1107 V CB 0.079 31.850 31.823 -0.087 0.000 1.036 1107 V HN 0.923 nan 8.190 nan 0.000 0.481 1108 R N 4.240 124.713 120.500 -0.045 0.000 2.575 1108 R HA 0.678 5.020 4.340 0.004 0.000 0.292 1108 R C -0.807 175.407 176.300 -0.143 0.000 1.246 1108 R CA -0.599 55.457 56.100 -0.074 0.000 0.973 1108 R CB 1.774 32.059 30.300 -0.026 0.000 1.187 1108 R HN 0.823 nan 8.270 nan 0.000 0.478 1109 E N 1.861 121.900 120.200 -0.269 0.000 2.394 1109 E HA 0.798 5.151 4.350 0.004 0.000 0.266 1109 E C -1.726 174.653 176.600 -0.368 0.000 1.065 1109 E CA -1.031 55.223 56.400 -0.243 0.000 0.885 1109 E CB 1.053 30.679 29.700 -0.123 0.000 1.659 1109 E HN 0.567 nan 8.360 nan 0.000 0.462 1110 A N 0.545 123.243 122.820 -0.203 0.000 2.455 1110 A HA 0.543 4.865 4.320 0.004 0.000 0.300 1110 A C -1.416 176.129 177.584 -0.065 0.000 1.040 1110 A CA -0.413 51.546 52.037 -0.130 0.000 0.697 1110 A CB 1.337 20.275 19.000 -0.104 0.000 1.265 1110 A HN 0.756 nan 8.150 nan 0.000 0.407 1111 D N 1.928 122.311 120.400 -0.029 0.000 2.659 1111 D HA 0.080 4.722 4.640 0.004 0.000 0.264 1111 D C 0.803 177.090 176.300 -0.021 0.000 1.329 1111 D CA 0.612 54.604 54.000 -0.012 0.000 0.963 1111 D CB -0.284 40.515 40.800 -0.001 0.000 1.136 1111 D HN 0.826 nan 8.370 nan 0.000 0.554 1112 C N 3.717 123.005 119.300 -0.021 0.000 2.523 1112 C HA 0.413 4.876 4.460 0.004 0.000 0.406 1112 C C 1.912 176.894 174.990 -0.014 0.000 1.449 1112 C CA -0.157 58.849 59.018 -0.021 0.000 1.588 1112 C CB -0.195 27.534 27.740 -0.018 0.000 2.514 1112 C HN 0.713 nan 8.230 nan 0.000 0.606 1113 G N 3.374 112.165 108.800 -0.014 0.000 2.650 1113 G HA2 0.073 4.036 3.960 0.004 0.000 0.214 1113 G HA3 0.073 4.036 3.960 0.004 0.000 0.214 1113 G C 0.804 175.703 174.900 -0.000 0.000 1.136 1113 G CA 0.600 45.695 45.100 -0.008 0.000 0.789 1113 G HN 0.856 nan 8.290 nan 0.000 0.536 1114 T N 1.962 116.518 114.554 0.002 0.000 2.743 1114 T HA 0.361 4.713 4.350 0.004 0.000 0.290 1114 T C 0.015 174.733 174.700 0.030 0.000 0.908 1114 T CA -0.004 62.105 62.100 0.015 0.000 1.092 1114 T CB 0.058 68.933 68.868 0.012 0.000 0.882 1114 T HN 0.007 nan 8.240 nan 0.000 0.531 1115 T N 6.613 121.192 114.554 0.041 0.000 3.151 1115 T HA 0.322 4.674 4.350 0.004 0.000 0.332 1115 T C -0.039 174.749 174.700 0.147 0.000 1.245 1115 T CA -0.807 61.336 62.100 0.071 0.000 1.019 1115 T CB -0.219 68.667 68.868 0.030 0.000 1.109 1115 T HN 0.428 nan 8.240 nan 0.000 0.621 1116 N N 3.345 122.135 118.700 0.150 0.000 2.442 1116 N HA 0.389 5.131 4.740 0.004 0.000 0.274 1116 N C -0.927 174.673 175.510 0.150 0.000 1.002 1116 N CA -0.607 52.522 53.050 0.130 0.000 0.910 1116 N CB 2.019 40.533 38.487 0.045 0.000 1.244 1116 N HN 0.668 nan 8.380 nan 0.000 0.492 1117 Y N -0.212 120.080 120.300 -0.013 0.000 2.633 1117 Y HA 0.684 5.236 4.550 0.004 0.000 0.339 1117 Y C -0.606 175.285 175.900 -0.015 0.000 1.045 1117 Y CA -1.334 56.755 58.100 -0.019 0.000 1.098 1117 Y CB 1.177 39.618 38.460 -0.030 0.000 1.296 1117 Y HN 0.121 nan 8.280 nan 0.000 0.494 1118 I N 2.238 122.828 120.570 0.033 0.000 2.428 1118 I HA 0.287 4.459 4.170 0.004 0.000 0.296 1118 I C -0.485 175.672 176.117 0.067 0.000 0.985 1118 I CA -0.644 60.640 61.300 -0.026 0.000 1.260 1118 I CB 1.598 39.602 38.000 0.007 0.000 1.389 1118 I HN 0.759 nan 8.210 nan 0.000 0.484 1119 S N 5.359 121.058 115.700 -0.002 0.000 2.438 1119 S HA 0.450 4.922 4.470 0.004 0.000 0.316 1119 S C -0.177 174.434 174.600 0.018 0.000 1.084 1119 S CA -0.722 57.510 58.200 0.054 0.000 1.107 1119 S CB 1.443 64.660 63.200 0.028 0.000 0.981 1119 S HN 0.305 nan 8.310 nan 0.000 0.466 1120 V N 5.634 125.556 119.914 0.013 0.000 2.405 1120 V HA 0.228 4.350 4.120 0.004 0.000 0.264 1120 V C -2.151 173.921 176.094 -0.037 0.000 1.048 1120 V CA -1.669 60.619 62.300 -0.020 0.000 0.966 1120 V CB 0.292 32.095 31.823 -0.034 0.000 1.015 1120 V HN 0.647 nan 8.190 nan 0.000 0.477 1121 P HA 0.172 nan 4.420 nan 0.000 0.271 1121 P C 0.083 177.314 177.300 -0.114 0.000 1.218 1121 P CA -0.177 62.898 63.100 -0.041 0.000 0.780 1121 P CB 0.751 32.449 31.700 -0.004 0.000 0.901 1122 L N 1.300 122.386 121.223 -0.228 0.000 2.731 1122 L HA 0.335 4.677 4.340 0.004 0.000 0.240 1122 L C 0.007 176.541 176.870 -0.560 0.000 1.120 1122 L CA 0.682 55.261 54.840 -0.436 0.000 0.913 1122 L CB -0.357 41.312 42.059 -0.649 0.000 1.213 1122 L HN 0.248 nan 8.230 nan 0.000 0.515 1123 F N 0.146 120.093 119.950 -0.004 0.000 2.546 1123 F HA 0.585 5.115 4.527 0.004 0.000 0.320 1123 F C 0.172 175.969 175.800 -0.004 0.000 1.076 1123 F CA -1.210 56.788 58.000 -0.004 0.000 0.928 1123 F CB 1.437 40.434 39.000 -0.004 0.000 1.189 1123 F HN -0.117 nan 8.300 nan 0.000 0.465 1124 Q N 3.816 123.737 119.800 0.200 0.000 2.340 1124 Q HA 0.499 4.842 4.340 0.004 0.000 0.268 1124 Q C -2.691 173.359 176.000 0.083 0.000 1.031 1124 Q CA -1.836 54.030 55.803 0.106 0.000 0.804 1124 Q CB 2.605 31.383 28.738 0.065 0.000 1.286 1124 Q HN 0.303 nan 8.270 nan 0.000 0.448 1125 P HA -0.145 nan 4.420 nan 0.000 0.205 1125 P C -0.453 176.862 177.300 0.025 0.000 1.181 1125 P CA 1.385 64.506 63.100 0.035 0.000 0.933 1125 P CB 0.162 31.882 31.700 0.033 0.000 0.775 1126 D N -1.123 119.293 120.400 0.026 0.000 2.464 1126 D HA 0.079 4.721 4.640 0.004 0.000 0.243 1126 D C 0.576 176.889 176.300 0.020 0.000 1.104 1126 D CA -0.146 53.866 54.000 0.020 0.000 0.883 1126 D CB 0.288 41.099 40.800 0.019 0.000 1.050 1126 D HN -0.132 nan 8.370 nan 0.000 0.524 1127 E N 1.885 122.096 120.200 0.019 0.000 2.175 1127 E HA 0.149 4.501 4.350 0.004 0.000 0.195 1127 E C 0.003 176.611 176.600 0.013 0.000 0.934 1127 E CA 0.443 56.853 56.400 0.017 0.000 0.870 1127 E CB 0.630 30.342 29.700 0.019 0.000 0.838 1127 E HN 0.248 nan 8.360 nan 0.000 0.474 1128 V N 1.488 121.409 119.914 0.012 0.000 2.483 1128 V HA 0.065 4.187 4.120 0.004 0.000 0.295 1128 V C 1.530 177.628 176.094 0.007 0.000 1.035 1128 V CA 0.291 62.596 62.300 0.008 0.000 0.896 1128 V CB 1.551 33.377 31.823 0.006 0.000 0.986 1128 V HN 0.330 nan 8.190 nan 0.000 0.447 1129 T N 4.531 119.088 114.554 0.006 0.000 2.041 1129 T HA -0.295 4.057 4.350 0.004 0.000 0.171 1129 T C 0.809 175.512 174.700 0.005 0.000 1.787 1129 T CA 2.184 64.287 62.100 0.006 0.000 0.997 1129 T CB -0.040 68.831 68.868 0.004 0.000 0.822 1129 T HN 0.566 nan 8.240 nan 0.000 0.410 1130 R N 0.658 121.159 120.500 0.001 0.000 2.500 1130 R HA 0.570 4.912 4.340 0.004 0.000 0.299 1130 R C -1.604 174.689 176.300 -0.011 0.000 1.038 1130 R CA -0.103 55.995 56.100 -0.004 0.000 0.903 1130 R CB 2.102 32.399 30.300 -0.005 0.000 1.177 1130 R HN 0.535 nan 8.270 nan 0.000 0.455 1131 S N 2.942 118.635 115.700 -0.013 0.000 2.626 1131 S HA 0.400 4.873 4.470 0.004 0.000 0.275 1131 S C -1.119 173.464 174.600 -0.028 0.000 1.175 1131 S CA -0.930 57.257 58.200 -0.023 0.000 0.982 1131 S CB 1.154 64.346 63.200 -0.014 0.000 1.093 1131 S HN 0.222 nan 8.310 nan 0.000 0.472 1132 L N 3.092 124.277 121.223 -0.063 0.000 2.397 1132 L HA 0.563 4.905 4.340 0.004 0.000 0.271 1132 L C 0.620 177.448 176.870 -0.070 0.000 1.148 1132 L CA 0.603 55.390 54.840 -0.088 0.000 0.825 1132 L CB 0.202 42.141 42.059 -0.200 0.000 1.117 1132 L HN 0.679 nan 8.230 nan 0.000 0.456 1133 R N 2.079 122.600 120.500 0.035 0.000 2.774 1133 R HA 0.607 4.950 4.340 0.004 0.000 0.272 1133 R C -1.487 175.046 176.300 0.389 0.000 1.000 1133 R CA -1.207 54.969 56.100 0.126 0.000 0.906 1133 R CB 1.538 31.893 30.300 0.092 0.000 1.227 1133 R HN 0.267 nan 8.270 nan 0.000 0.468 1134 L N 1.945 123.398 121.223 0.383 0.000 2.367 1134 L HA 0.294 4.636 4.340 0.004 0.000 0.275 1134 L C 0.334 177.279 176.870 0.125 0.000 1.129 1134 L CA 0.177 55.233 54.840 0.359 0.000 0.839 1134 L CB 0.504 42.707 42.059 0.241 0.000 1.133 1134 L HN 0.439 nan 8.230 nan 0.000 0.453 1135 R N 3.481 123.990 120.500 0.016 0.000 2.756 1135 R HA 0.045 4.388 4.340 0.004 0.000 0.264 1135 R C 0.069 176.359 176.300 -0.015 0.000 1.026 1135 R CA -0.030 56.064 56.100 -0.011 0.000 1.121 1135 R CB 0.421 30.682 30.300 -0.065 0.000 0.999 1135 R HN 0.688 nan 8.270 nan 0.000 0.449 1136 K N 1.728 122.124 120.400 -0.006 0.000 2.455 1136 K HA -0.135 4.187 4.320 0.004 0.000 0.269 1136 K C 1.461 178.052 176.600 -0.014 0.000 0.972 1136 K CA 0.327 56.611 56.287 -0.004 0.000 0.938 1136 K CB 0.470 32.969 32.500 -0.002 0.000 0.931 1136 K HN 0.484 nan 8.250 nan 0.000 0.507 1137 R N 1.563 122.061 120.500 -0.004 0.000 2.075 1137 R HA -0.208 4.135 4.340 0.004 0.000 0.230 1137 R C 2.078 178.381 176.300 0.005 0.000 1.140 1137 R CA 1.876 57.979 56.100 0.005 0.000 0.928 1137 R CB -0.491 29.816 30.300 0.012 0.000 0.834 1137 R HN 0.813 nan 8.270 nan 0.000 0.429 1138 A N 1.707 124.527 122.820 -0.000 0.000 1.881 1138 A HA -0.281 4.041 4.320 0.004 0.000 0.219 1138 A C 1.758 179.317 177.584 -0.041 0.000 1.215 1138 A CA 2.370 54.399 52.037 -0.014 0.000 0.648 1138 A CB -0.987 18.003 19.000 -0.017 0.000 0.832 1138 A HN 0.521 nan 8.150 nan 0.000 0.455 1139 D N -0.232 120.141 120.400 -0.045 0.000 2.149 1139 D HA -0.133 4.510 4.640 0.004 0.000 0.198 1139 D C 1.848 178.094 176.300 -0.090 0.000 0.990 1139 D CA 1.299 55.257 54.000 -0.070 0.000 0.839 1139 D CB -0.431 40.338 40.800 -0.053 0.000 0.948 1139 D HN 0.574 nan 8.370 nan 0.000 0.460 1140 I N 1.303 121.831 120.570 -0.069 0.000 2.315 1140 I HA -0.229 3.944 4.170 0.004 0.000 0.248 1140 I C 2.245 178.320 176.117 -0.070 0.000 1.117 1140 I CA 1.017 62.270 61.300 -0.077 0.000 1.404 1140 I CB -0.205 37.752 38.000 -0.071 0.000 1.071 1140 I HN 0.022 nan 8.210 nan 0.000 0.419 1141 E N 1.278 121.454 120.200 -0.040 0.000 2.058 1141 E HA -0.240 4.112 4.350 0.004 0.000 0.194 1141 E C 2.338 178.888 176.600 -0.084 0.000 0.997 1141 E CA 1.389 57.782 56.400 -0.011 0.000 0.801 1141 E CB -0.328 29.387 29.700 0.024 0.000 0.746 1141 E HN 0.521 nan 8.360 nan 0.000 0.450 1142 A N 1.434 124.141 122.820 -0.188 0.000 1.978 1142 A HA -0.129 4.194 4.320 0.004 0.000 0.220 1142 A C 2.400 179.572 177.584 -0.685 0.000 1.170 1142 A CA 1.817 53.605 52.037 -0.416 0.000 0.636 1142 A CB -0.897 17.922 19.000 -0.300 0.000 0.810 1142 A HN 0.368 nan 8.150 nan 0.000 0.448 1143 G N -1.157 107.438 108.800 -0.342 0.000 2.492 1143 G HA2 0.203 4.165 3.960 0.004 0.000 0.214 1143 G HA3 0.203 4.165 3.960 0.004 0.000 0.214 1143 G C 1.287 176.129 174.900 -0.098 0.000 1.147 1143 G CA 0.750 45.701 45.100 -0.248 0.000 0.809 1143 G HN 0.437 nan 8.290 nan 0.000 0.533 1144 L N -1.100 120.098 121.223 -0.042 0.000 2.701 1144 L HA 0.360 4.703 4.340 0.004 0.000 0.238 1144 L C 0.625 177.543 176.870 0.080 0.000 1.106 1144 L CA -0.746 54.099 54.840 0.008 0.000 0.898 1144 L CB 0.055 42.089 42.059 -0.041 0.000 1.188 1144 L HN 0.083 nan 8.230 nan 0.000 0.508 1145 Y N 2.355 122.670 120.300 0.024 0.000 2.610 1145 Y HA 0.283 4.836 4.550 0.004 0.000 0.332 1145 Y C 1.450 177.401 175.900 0.084 0.000 1.201 1145 Y CA 0.472 58.609 58.100 0.060 0.000 1.465 1145 Y CB 0.631 39.155 38.460 0.107 0.000 1.283 1145 Y HN 0.243 nan 8.280 nan 0.000 0.563 1146 G N 5.099 113.763 108.800 -0.227 0.000 2.321 1146 G HA2 -0.276 3.686 3.960 0.004 0.000 0.287 1146 G HA3 -0.276 3.686 3.960 0.004 0.000 0.287 1146 G C 0.378 175.184 174.900 -0.157 0.000 1.018 1146 G CA 0.305 45.225 45.100 -0.298 0.000 0.855 1146 G HN 0.597 nan 8.290 nan 0.000 0.507 1147 R N -1.366 119.034 120.500 -0.167 0.000 2.608 1147 R HA 0.648 4.991 4.340 0.004 0.000 0.255 1147 R C -0.051 176.083 176.300 -0.276 0.000 1.086 1147 R CA -0.809 55.199 56.100 -0.153 0.000 1.125 1147 R CB 1.201 31.454 30.300 -0.078 0.000 1.193 1147 R HN 0.137 nan 8.270 nan 0.000 0.553 1148 V N 2.847 122.581 119.914 -0.300 0.000 2.350 1148 V HA 0.249 4.371 4.120 0.004 0.000 0.285 1148 V C 0.587 176.514 176.094 -0.279 0.000 1.014 1148 V CA -0.683 61.355 62.300 -0.437 0.000 0.831 1148 V CB 1.338 32.824 31.823 -0.562 0.000 1.000 1148 V HN 0.465 nan 8.190 nan 0.000 0.433 1149 L N 3.630 124.702 121.223 -0.252 0.000 2.559 1149 L HA 0.032 4.375 4.340 0.004 0.000 0.282 1149 L C 1.671 178.409 176.870 -0.220 0.000 1.232 1149 L CA 0.486 55.205 54.840 -0.203 0.000 0.885 1149 L CB 0.644 42.595 42.059 -0.179 0.000 1.131 1149 L HN 0.814 nan 8.230 nan 0.000 0.498 1150 A N 5.261 127.927 122.820 -0.256 0.000 1.935 1150 A HA 0.072 4.395 4.320 0.004 0.000 0.214 1150 A C 0.906 178.275 177.584 -0.358 0.000 1.178 1150 A CA 0.763 52.605 52.037 -0.324 0.000 0.640 1150 A CB 0.152 18.849 19.000 -0.503 0.000 0.825 1150 A HN 0.753 nan 8.150 nan 0.000 0.447 1151 R N -0.461 119.814 120.500 -0.374 0.000 2.836 1151 R HA 0.397 4.739 4.340 0.004 0.000 0.269 1151 R C -0.902 175.286 176.300 -0.186 0.000 1.010 1151 R CA -0.847 55.087 56.100 -0.278 0.000 0.930 1151 R CB 0.883 30.987 30.300 -0.326 0.000 1.218 1151 R HN 0.291 nan 8.270 nan 0.000 0.473 1152 E N 1.804 121.926 120.200 -0.131 0.000 2.360 1152 E HA 0.168 4.520 4.350 0.004 0.000 0.269 1152 E C -1.083 175.469 176.600 -0.080 0.000 1.022 1152 E CA -0.054 56.289 56.400 -0.093 0.000 0.887 1152 E CB 1.028 30.687 29.700 -0.069 0.000 0.990 1152 E HN 0.293 nan 8.360 nan 0.000 0.426 1153 V N 5.023 124.896 119.914 -0.068 0.000 2.443 1153 V HA 0.215 4.337 4.120 0.004 0.000 0.293 1153 V C -0.205 175.866 176.094 -0.038 0.000 1.021 1153 V CA -0.732 61.538 62.300 -0.051 0.000 0.848 1153 V CB 1.551 33.341 31.823 -0.054 0.000 0.998 1153 V HN 0.648 nan 8.190 nan 0.000 0.424 1154 E N 3.013 123.197 120.200 -0.027 0.000 2.044 1154 E HA 0.395 4.747 4.350 0.004 0.000 0.282 1154 E C -0.255 176.337 176.600 -0.013 0.000 1.031 1154 E CA -0.142 56.246 56.400 -0.020 0.000 0.824 1154 E CB 1.804 31.494 29.700 -0.015 0.000 1.076 1154 E HN 0.554 nan 8.360 nan 0.000 0.395 1155 V N 3.817 123.724 119.914 -0.013 0.000 3.793 1155 V HA 0.010 4.133 4.120 0.004 0.000 0.191 1155 V C 1.595 177.688 176.094 -0.001 0.000 1.187 1155 V CA -0.211 62.085 62.300 -0.006 0.000 1.444 1155 V CB -0.279 31.538 31.823 -0.009 0.000 1.591 1155 V HN 0.635 nan 8.190 nan 0.000 0.465 1156 L N 0.004 121.227 121.223 0.000 0.000 2.599 1156 L HA 0.286 4.629 4.340 0.004 0.000 0.230 1156 L C 1.341 178.212 176.870 0.001 0.000 1.141 1156 L CA 1.164 56.006 54.840 0.003 0.000 0.877 1156 L CB 0.461 42.524 42.059 0.006 0.000 1.009 1156 L HN 0.850 nan 8.230 nan 0.000 0.447 1157 G N -1.631 107.168 108.800 -0.002 0.000 3.609 1157 G HA2 -0.095 3.868 3.960 0.004 0.000 0.219 1157 G HA3 -0.095 3.868 3.960 0.004 0.000 0.219 1157 G C -0.021 174.875 174.900 -0.005 0.000 0.951 1157 G CA -0.170 44.928 45.100 -0.003 0.000 0.867 1157 G HN -0.040 nan 8.290 nan 0.000 0.478 1158 V N 1.846 121.755 119.914 -0.007 0.000 2.904 1158 V HA 0.618 4.741 4.120 0.004 0.000 0.305 1158 V C 0.588 176.673 176.094 -0.015 0.000 1.067 1158 V CA -0.720 61.574 62.300 -0.010 0.000 1.044 1158 V CB 1.712 33.529 31.823 -0.010 0.000 1.050 1158 V HN 0.319 nan 8.190 nan 0.000 0.475 1159 R N 3.454 123.944 120.500 -0.017 0.000 2.278 1159 R HA 0.399 4.741 4.340 0.004 0.000 0.322 1159 R C -1.087 175.196 176.300 -0.028 0.000 1.058 1159 R CA -0.545 55.541 56.100 -0.022 0.000 0.991 1159 R CB 0.248 30.536 30.300 -0.020 0.000 1.140 1159 R HN 0.740 nan 8.270 nan 0.000 0.518 1160 L N 5.701 126.903 121.223 -0.036 0.000 2.485 1160 L HA 0.122 4.464 4.340 0.004 0.000 0.279 1160 L C 1.129 177.967 176.870 -0.055 0.000 1.124 1160 L CA -0.374 54.438 54.840 -0.047 0.000 0.888 1160 L CB 0.059 42.084 42.059 -0.057 0.000 1.217 1160 L HN 0.527 nan 8.230 nan 0.000 0.464 1161 E N 3.055 123.225 120.200 -0.050 0.000 2.410 1161 E HA 0.053 4.405 4.350 0.004 0.000 0.255 1161 E C -0.166 176.389 176.600 -0.075 0.000 1.194 1161 E CA -0.505 55.863 56.400 -0.052 0.000 0.955 1161 E CB 0.961 30.640 29.700 -0.035 0.000 0.988 1161 E HN 0.488 nan 8.360 nan 0.000 0.461 1162 E N -0.064 120.089 120.200 -0.079 0.000 2.390 1162 E HA 0.166 4.519 4.350 0.004 0.000 0.261 1162 E C 0.853 177.387 176.600 -0.111 0.000 1.076 1162 E CA 0.766 57.102 56.400 -0.107 0.000 0.905 1162 E CB 0.575 30.215 29.700 -0.099 0.000 0.984 1162 E HN 0.732 nan 8.360 nan 0.000 0.427 1163 G N 3.975 112.680 108.800 -0.158 0.000 2.228 1163 G HA2 -0.355 3.608 3.960 0.004 0.000 0.270 1163 G HA3 -0.355 3.608 3.960 0.004 0.000 0.270 1163 G C 0.636 175.381 174.900 -0.260 0.000 0.976 1163 G CA 0.811 45.789 45.100 -0.202 0.000 0.636 1163 G HN 0.591 nan 8.290 nan 0.000 0.542 1164 R N 0.139 120.542 120.500 -0.162 0.000 2.537 1164 R HA 0.283 4.625 4.340 0.004 0.000 0.280 1164 R C -0.413 175.765 176.300 -0.204 0.000 1.058 1164 R CA -0.335 55.713 56.100 -0.088 0.000 1.057 1164 R CB -0.009 30.258 30.300 -0.055 0.000 0.973 1164 R HN 0.207 nan 8.270 nan 0.000 0.438 1165 Y N 5.519 125.712 120.300 -0.178 0.000 2.539 1165 Y HA 0.118 4.670 4.550 0.004 0.000 0.352 1165 Y C 0.188 175.822 175.900 -0.444 0.000 1.004 1165 Y CA -0.440 57.458 58.100 -0.337 0.000 1.278 1165 Y CB 0.378 38.612 38.460 -0.378 0.000 1.136 1165 Y HN 0.313 nan 8.280 nan 0.000 0.528 1166 L N 3.117 124.151 121.223 -0.314 0.000 2.433 1166 L HA 0.278 4.620 4.340 0.004 0.000 0.275 1166 L C 0.720 177.317 176.870 -0.456 0.000 1.128 1166 L CA -0.545 54.119 54.840 -0.294 0.000 0.875 1166 L CB -0.044 41.885 42.059 -0.216 0.000 1.171 1166 L HN 0.563 nan 8.230 nan 0.000 0.463 1167 S N 2.698 118.193 115.700 -0.341 0.000 2.608 1167 S HA 0.162 4.634 4.470 0.004 0.000 0.261 1167 S C 0.986 175.371 174.600 -0.359 0.000 1.314 1167 S CA -0.634 57.382 58.200 -0.307 0.000 0.992 1167 S CB 1.078 64.244 63.200 -0.058 0.000 0.935 1167 S HN 0.775 nan 8.310 nan 0.000 0.564 1168 M N 0.998 120.368 119.600 -0.382 0.000 2.144 1168 M HA -0.166 4.316 4.480 0.004 0.000 0.260 1168 M C 1.201 177.259 176.300 -0.405 0.000 1.067 1168 M CA 1.980 57.111 55.300 -0.283 0.000 1.095 1168 M CB -0.801 31.876 32.600 0.129 0.000 1.365 1168 M HN 0.760 nan 8.290 nan 0.000 0.406 1169 D N 0.068 120.382 120.400 -0.143 0.000 2.144 1169 D HA -0.160 4.482 4.640 0.004 0.000 0.200 1169 D C 1.523 177.811 176.300 -0.021 0.000 0.978 1169 D CA 1.470 55.466 54.000 -0.007 0.000 0.833 1169 D CB -0.477 40.352 40.800 0.048 0.000 0.961 1169 D HN 0.497 nan 8.370 nan 0.000 0.470 1170 D N 0.470 120.819 120.400 -0.085 0.000 2.149 1170 D HA -0.073 4.569 4.640 0.004 0.000 0.201 1170 D C 2.097 178.353 176.300 -0.074 0.000 0.972 1170 D CA 0.421 54.377 54.000 -0.073 0.000 0.835 1170 D CB 0.070 40.806 40.800 -0.106 0.000 0.966 1170 D HN 0.117 nan 8.370 nan 0.000 0.476 1171 V N 1.087 120.920 119.914 -0.134 0.000 3.510 1171 V HA -0.097 4.025 4.120 0.004 0.000 0.270 1171 V C 1.667 177.758 176.094 -0.005 0.000 1.201 1171 V CA 0.932 63.173 62.300 -0.099 0.000 1.166 1171 V CB -0.575 31.175 31.823 -0.121 0.000 0.825 1171 V HN 0.172 nan 8.190 nan 0.000 0.484 1172 H N -0.873 118.195 119.070 -0.004 0.000 2.520 1172 H HA 0.180 4.738 4.556 0.004 0.000 0.279 1172 H C 1.872 177.195 175.328 -0.008 0.000 0.990 1172 H CA 0.701 56.750 56.048 0.002 0.000 1.288 1172 H CB 0.334 30.107 29.762 0.018 0.000 1.446 1172 H HN 0.369 nan 8.280 nan 0.000 0.538 1173 L N 0.258 121.545 121.223 0.107 0.000 2.007 1173 L HA -0.054 4.289 4.340 0.004 0.000 0.205 1173 L C 2.131 179.016 176.870 0.024 0.000 1.073 1173 L CA 1.196 56.065 54.840 0.048 0.000 0.744 1173 L CB -0.662 41.410 42.059 0.020 0.000 0.898 1173 L HN 0.109 nan 8.230 nan 0.000 0.435 1174 L N -0.784 120.442 121.223 0.005 0.000 2.127 1174 L HA -0.264 4.079 4.340 0.004 0.000 0.211 1174 L C 2.416 179.275 176.870 -0.018 0.000 1.089 1174 L CA 1.402 56.233 54.840 -0.016 0.000 0.757 1174 L CB -0.372 41.664 42.059 -0.038 0.000 0.899 1174 L HN 0.337 nan 8.230 nan 0.000 0.434 1175 I N -0.431 120.140 120.570 0.001 0.000 2.202 1175 I HA -0.314 3.858 4.170 0.004 0.000 0.242 1175 I C 2.628 178.747 176.117 0.004 0.000 1.091 1175 I CA 1.249 62.543 61.300 -0.010 0.000 1.368 1175 I CB -0.315 37.700 38.000 0.024 0.000 1.058 1175 I HN 0.217 nan 8.210 nan 0.000 0.410 1176 K N 1.410 121.822 120.400 0.019 0.000 2.152 1176 K HA -0.206 4.117 4.320 0.004 0.000 0.206 1176 K C 2.051 178.665 176.600 0.023 0.000 1.048 1176 K CA 1.525 57.823 56.287 0.018 0.000 0.933 1176 K CB -0.027 32.483 32.500 0.017 0.000 0.721 1176 K HN 0.333 nan 8.250 nan 0.000 0.447 1177 A N 0.805 123.636 122.820 0.019 0.000 1.898 1177 A HA 0.069 4.391 4.320 0.004 0.000 0.214 1177 A C 2.271 179.881 177.584 0.043 0.000 1.183 1177 A CA 1.259 53.310 52.037 0.024 0.000 0.622 1177 A CB -0.550 18.458 19.000 0.013 0.000 0.824 1177 A HN 0.421 nan 8.150 nan 0.000 0.444 1178 A N -0.372 122.469 122.820 0.034 0.000 2.019 1178 A HA -0.142 4.180 4.320 0.004 0.000 0.219 1178 A C 1.910 179.599 177.584 0.176 0.000 1.164 1178 A CA 1.527 53.616 52.037 0.086 0.000 0.644 1178 A CB -0.434 18.519 19.000 -0.077 0.000 0.805 1178 A HN 0.610 nan 8.150 nan 0.000 0.449 1179 E N -0.346 119.916 120.200 0.102 0.000 2.051 1179 E HA -0.156 4.196 4.350 0.004 0.000 0.192 1179 E C 2.299 178.950 176.600 0.084 0.000 0.991 1179 E CA 1.053 57.514 56.400 0.100 0.000 0.799 1179 E CB -0.192 29.542 29.700 0.056 0.000 0.748 1179 E HN 0.614 nan 8.360 nan 0.000 0.449 1180 A N 0.074 122.933 122.820 0.064 0.000 1.968 1180 A HA 0.066 4.388 4.320 0.004 0.000 0.217 1180 A C 1.519 179.136 177.584 0.055 0.000 1.169 1180 A CA 1.382 53.447 52.037 0.047 0.000 0.638 1180 A CB -0.165 18.856 19.000 0.034 0.000 0.812 1180 A HN 0.367 nan 8.150 nan 0.000 0.446 1181 G N -1.141 107.711 108.800 0.087 0.000 2.580 1181 G HA2 -0.107 3.855 3.960 0.004 0.000 0.204 1181 G HA3 -0.107 3.855 3.960 0.004 0.000 0.204 1181 G C 0.018 174.965 174.900 0.077 0.000 1.107 1181 G CA 0.425 45.584 45.100 0.097 0.000 0.881 1181 G HN 0.438 nan 8.290 nan 0.000 0.497 1182 E N -1.224 119.023 120.200 0.078 0.000 2.453 1182 E HA 0.339 4.691 4.350 0.004 0.000 0.211 1182 E C 0.467 177.102 176.600 0.057 0.000 0.897 1182 E CA 0.489 56.921 56.400 0.053 0.000 1.063 1182 E CB 0.522 30.242 29.700 0.033 0.000 1.080 1182 E HN 0.669 nan 8.360 nan 0.000 0.512 1183 I N -0.547 120.068 120.570 0.076 0.000 2.607 1183 I HA 0.316 4.489 4.170 0.004 0.000 0.290 1183 I C -0.018 176.155 176.117 0.092 0.000 1.129 1183 I CA -0.659 60.676 61.300 0.059 0.000 1.042 1183 I CB 1.931 39.938 38.000 0.013 0.000 1.242 1183 I HN -0.310 nan 8.210 nan 0.000 0.421 1184 Q N 2.247 122.115 119.800 0.114 0.000 2.378 1184 Q HA 0.364 4.706 4.340 0.004 0.000 0.229 1184 Q C -0.144 175.879 176.000 0.038 0.000 0.882 1184 Q CA 0.872 56.775 55.803 0.166 0.000 0.936 1184 Q CB 0.752 29.632 28.738 0.236 0.000 1.092 1184 Q HN 0.773 nan 8.270 nan 0.000 0.535 1185 E N -1.283 118.932 120.200 0.025 0.000 2.446 1185 E HA 0.657 5.010 4.350 0.004 0.000 0.267 1185 E C -1.232 175.370 176.600 0.003 0.000 0.955 1185 E CA -1.045 55.361 56.400 0.010 0.000 0.842 1185 E CB 2.420 32.145 29.700 0.041 0.000 1.504 1185 E HN -0.300 nan 8.360 nan 0.000 0.438 1186 V N 2.150 122.074 119.914 0.017 0.000 2.610 1186 V HA 0.261 4.384 4.120 0.004 0.000 0.298 1186 V C -2.574 173.553 176.094 0.055 0.000 1.067 1186 V CA -1.510 60.795 62.300 0.008 0.000 0.894 1186 V CB 2.059 33.864 31.823 -0.029 0.000 1.015 1186 V HN 0.507 nan 8.190 nan 0.000 0.432 1187 P HA 0.272 nan 4.420 nan 0.000 0.275 1187 P C -0.868 176.402 177.300 -0.052 0.000 1.276 1187 P CA 0.194 63.317 63.100 0.038 0.000 0.782 1187 P CB 1.920 33.421 31.700 -0.332 0.000 0.851 1188 V N 5.104 125.067 119.914 0.082 0.000 2.851 1188 V HA 0.380 4.502 4.120 0.004 0.000 0.307 1188 V C -0.295 175.824 176.094 0.042 0.000 1.129 1188 V CA -1.045 61.250 62.300 -0.008 0.000 0.932 1188 V CB 2.621 34.430 31.823 -0.023 0.000 1.024 1188 V HN 0.359 nan 8.190 nan 0.000 0.426 1189 R N 2.862 123.346 120.500 -0.026 0.000 2.679 1189 R HA 0.534 4.876 4.340 0.004 0.000 0.268 1189 R C -0.136 176.163 176.300 -0.002 0.000 1.044 1189 R CA 0.283 56.380 56.100 -0.004 0.000 1.105 1189 R CB 1.121 31.387 30.300 -0.056 0.000 0.989 1189 R HN 0.836 nan 8.270 nan 0.000 0.447 1190 S N 1.848 117.560 115.700 0.020 0.000 2.537 1190 S HA 0.352 4.824 4.470 0.004 0.000 0.271 1190 S C -2.220 172.399 174.600 0.031 0.000 1.148 1190 S CA -1.257 56.951 58.200 0.014 0.000 0.868 1190 S CB 1.729 64.938 63.200 0.015 0.000 1.115 1190 S HN 0.217 nan 8.310 nan 0.000 0.461 1191 P HA -0.070 nan 4.420 nan 0.000 0.217 1191 P C 1.442 178.768 177.300 0.044 0.000 1.148 1191 P CA 1.052 64.192 63.100 0.067 0.000 0.828 1191 P CB 0.003 31.767 31.700 0.107 0.000 0.783 1192 L N -1.244 119.999 121.223 0.033 0.000 2.137 1192 L HA -0.168 4.175 4.340 0.004 0.000 0.213 1192 L C 1.420 178.301 176.870 0.020 0.000 1.085 1192 L CA 2.164 57.018 54.840 0.023 0.000 0.760 1192 L CB -1.381 40.687 42.059 0.014 0.000 0.893 1192 L HN 0.184 nan 8.230 nan 0.000 0.434 1193 T N -5.206 109.361 114.554 0.022 0.000 3.296 1193 T HA 0.188 4.540 4.350 0.004 0.000 0.285 1193 T C 0.143 174.855 174.700 0.020 0.000 1.014 1193 T CA -0.574 61.538 62.100 0.020 0.000 0.920 1193 T CB -0.552 68.331 68.868 0.024 0.000 1.143 1193 T HN 0.135 nan 8.240 nan 0.000 0.522 1194 C N 2.526 121.835 119.300 0.016 0.000 2.595 1194 C HA 0.366 4.828 4.460 0.004 0.000 0.384 1194 C C 2.090 177.072 174.990 -0.013 0.000 1.289 1194 C CA -0.020 59.003 59.018 0.008 0.000 2.372 1194 C CB 0.995 28.745 27.740 0.015 0.000 2.593 1194 C HN 0.866 nan 8.230 nan 0.000 0.639 1195 Q N 1.320 121.108 119.800 -0.021 0.000 2.349 1195 Q HA 0.076 4.418 4.340 0.004 0.000 0.209 1195 Q C 0.548 176.507 176.000 -0.068 0.000 0.920 1195 Q CA 0.544 56.323 55.803 -0.040 0.000 0.901 1195 Q CB -0.469 28.251 28.738 -0.030 0.000 1.021 1195 Q HN 0.723 nan 8.270 nan 0.000 0.519 1196 T N 3.385 117.905 114.554 -0.056 0.000 2.761 1196 T HA -0.007 4.346 4.350 0.004 0.000 0.262 1196 T C 0.601 175.238 174.700 -0.105 0.000 0.968 1196 T CA 0.345 62.403 62.100 -0.069 0.000 1.235 1196 T CB 0.337 69.182 68.868 -0.039 0.000 0.925 1196 T HN 0.453 nan 8.240 nan 0.000 0.545 1197 R N 3.193 123.576 120.500 -0.195 0.000 2.179 1197 R HA -0.188 4.155 4.340 0.004 0.000 0.238 1197 R C 0.242 176.340 176.300 -0.335 0.000 1.119 1197 R CA 1.628 57.497 56.100 -0.385 0.000 0.915 1197 R CB -0.643 29.292 30.300 -0.608 0.000 0.870 1197 R HN 0.646 nan 8.270 nan 0.000 0.432 1198 Y N 1.389 121.639 120.300 -0.083 0.000 2.717 1198 Y HA 0.536 5.089 4.550 0.004 0.000 0.329 1198 Y C 0.527 176.388 175.900 -0.065 0.000 1.017 1198 Y CA -0.307 57.744 58.100 -0.081 0.000 1.275 1198 Y CB 1.524 39.936 38.460 -0.081 0.000 1.109 1198 Y HN 0.670 nan 8.280 nan 0.000 0.511 1199 G N 0.631 109.488 108.800 0.095 0.000 2.347 1199 G HA2 0.201 4.163 3.960 0.004 0.000 0.477 1199 G HA3 0.201 4.163 3.960 0.004 0.000 0.477 1199 G C -2.255 172.656 174.900 0.020 0.000 1.349 1199 G CA -1.058 44.064 45.100 0.036 0.000 1.000 1199 G HN 0.349 nan 8.290 nan 0.000 0.605 1200 V N -0.155 119.766 119.914 0.013 0.000 2.888 1200 V HA 0.616 4.738 4.120 0.004 0.000 0.309 1200 V C 0.950 177.058 176.094 0.024 0.000 1.114 1200 V CA -0.193 62.126 62.300 0.033 0.000 0.940 1200 V CB 1.462 33.332 31.823 0.078 0.000 1.021 1200 V HN 1.812 nan 8.190 nan 0.000 0.426 1201 C N 2.469 121.789 119.300 0.034 0.000 2.365 1201 C HA 0.496 4.959 4.460 0.004 0.000 0.374 1201 C C 1.689 176.729 174.990 0.083 0.000 1.318 1201 C CA -0.217 58.816 59.018 0.025 0.000 2.239 1201 C CB 0.959 28.701 27.740 0.003 0.000 2.144 1201 C HN 1.020 nan 8.230 nan 0.000 0.581 1202 Q N 0.392 120.242 119.800 0.083 0.000 2.079 1202 Q HA -0.104 4.239 4.340 0.004 0.000 0.200 1202 Q C 2.200 178.322 176.000 0.203 0.000 0.974 1202 Q CA 1.632 57.534 55.803 0.165 0.000 0.840 1202 Q CB -0.067 28.766 28.738 0.158 0.000 0.898 1202 Q HN 0.758 nan 8.270 nan 0.000 0.430 1203 K N -0.600 119.864 120.400 0.105 0.000 2.148 1203 K HA -0.095 4.228 4.320 0.004 0.000 0.204 1203 K C 2.102 178.683 176.600 -0.032 0.000 1.050 1203 K CA 0.991 57.270 56.287 -0.013 0.000 0.942 1203 K CB 0.016 32.481 32.500 -0.059 0.000 0.724 1203 K HN 0.312 nan 8.250 nan 0.000 0.446 1204 C N -0.281 119.041 119.300 0.036 0.000 2.500 1204 C HA -0.062 4.401 4.460 0.004 0.000 0.279 1204 C C 2.426 177.465 174.990 0.083 0.000 1.288 1204 C CA 0.020 59.062 59.018 0.040 0.000 1.710 1204 C CB -0.659 27.116 27.740 0.058 0.000 2.052 1204 C HN 0.449 nan 8.230 nan 0.000 0.488 1205 Y N 1.588 121.904 120.300 0.026 0.000 2.062 1205 Y HA 0.265 4.818 4.550 0.004 0.000 0.272 1205 Y C 1.641 177.566 175.900 0.042 0.000 1.117 1205 Y CA 2.351 60.474 58.100 0.038 0.000 1.095 1205 Y CB -0.657 37.842 38.460 0.064 0.000 0.985 1205 Y HN 0.433 nan 8.280 nan 0.000 0.479 1206 G N -2.707 106.241 108.800 0.248 0.000 2.286 1206 G HA2 -0.202 3.761 3.960 0.004 0.000 0.118 1206 G HA3 -0.202 3.761 3.960 0.004 0.000 0.118 1206 G C 0.317 175.507 174.900 0.483 0.000 1.267 1206 G CA -0.036 45.190 45.100 0.209 0.000 1.171 1206 G HN 0.331 nan 8.290 nan 0.000 0.465 1207 Y N 0.605 121.045 120.300 0.232 0.000 2.197 1207 Y HA 0.197 4.750 4.550 0.004 0.000 0.281 1207 Y C 1.327 177.357 175.900 0.216 0.000 1.099 1207 Y CA 0.533 58.763 58.100 0.216 0.000 1.092 1207 Y CB 0.240 38.834 38.460 0.224 0.000 1.028 1207 Y HN 0.341 nan 8.280 nan 0.000 0.489 1208 D N 2.628 123.265 120.400 0.394 0.000 2.497 1208 D HA -0.068 4.575 4.640 0.004 0.000 0.285 1208 D C -0.344 176.150 176.300 0.323 0.000 1.452 1208 D CA 0.459 54.626 54.000 0.280 0.000 1.132 1208 D CB -0.314 40.603 40.800 0.196 0.000 1.132 1208 D HN 0.119 nan 8.370 nan 0.000 0.555 1209 L N 2.168 123.511 121.223 0.200 0.000 2.544 1209 L HA 0.159 4.501 4.340 0.004 0.000 0.256 1209 L C 1.677 178.602 176.870 0.092 0.000 1.097 1209 L CA -0.362 54.559 54.840 0.135 0.000 0.812 1209 L CB 1.063 43.172 42.059 0.082 0.000 1.440 1209 L HN 0.020 nan 8.230 nan 0.000 0.496 1210 S N -0.063 115.670 115.700 0.054 0.000 2.469 1210 S HA 0.010 4.482 4.470 0.004 0.000 0.238 1210 S C 0.814 175.437 174.600 0.039 0.000 0.998 1210 S CA 0.676 58.892 58.200 0.026 0.000 0.957 1210 S CB -0.310 62.892 63.200 0.003 0.000 0.764 1210 S HN 0.453 nan 8.310 nan 0.000 0.514 1211 M N -0.070 119.573 119.600 0.072 0.000 2.283 1211 M HA 0.373 4.855 4.480 0.004 0.000 0.314 1211 M C 1.003 177.352 176.300 0.082 0.000 1.153 1211 M CA -0.159 55.219 55.300 0.131 0.000 1.084 1211 M CB 1.158 33.798 32.600 0.067 0.000 1.468 1211 M HN 0.120 nan 8.290 nan 0.000 0.474 1212 A N 2.551 125.431 122.820 0.099 0.000 2.169 1212 A HA 0.041 4.363 4.320 0.004 0.000 0.212 1212 A C 0.769 178.034 177.584 -0.532 0.000 1.153 1212 A CA 0.316 52.258 52.037 -0.157 0.000 0.756 1212 A CB -0.243 18.751 19.000 -0.009 0.000 0.813 1212 A HN 0.844 nan 8.150 nan 0.000 0.471 1213 R N -0.582 119.754 120.500 -0.274 0.000 2.580 1213 R HA 0.461 4.803 4.340 0.004 0.000 0.267 1213 R C -2.766 173.477 176.300 -0.096 0.000 1.125 1213 R CA -1.869 54.090 56.100 -0.235 0.000 1.188 1213 R CB -0.932 29.280 30.300 -0.148 0.000 1.155 1213 R HN -0.126 nan 8.270 nan 0.000 0.586 1214 P HA -0.144 nan 4.420 nan 0.000 0.269 1214 P C -0.485 176.868 177.300 0.088 0.000 1.205 1214 P CA 0.061 63.135 63.100 -0.043 0.000 0.780 1214 P CB 0.324 31.781 31.700 -0.406 0.000 0.858 1215 V N 2.538 122.579 119.914 0.212 0.000 2.637 1215 V HA 0.013 4.135 4.120 0.004 0.000 0.296 1215 V C 0.402 176.561 176.094 0.108 0.000 1.046 1215 V CA 0.476 62.883 62.300 0.178 0.000 1.066 1215 V CB 0.501 32.476 31.823 0.254 0.000 0.968 1215 V HN 0.541 nan 8.190 nan 0.000 0.483 1216 S N 6.132 121.873 115.700 0.068 0.000 2.548 1216 S HA 0.453 4.925 4.470 0.004 0.000 0.277 1216 S C -0.001 174.644 174.600 0.074 0.000 1.315 1216 S CA -0.487 57.754 58.200 0.069 0.000 1.050 1216 S CB 0.570 63.797 63.200 0.045 0.000 0.918 1216 S HN 0.498 nan 8.310 nan 0.000 0.497 1217 I N 2.460 123.109 120.570 0.131 0.000 2.598 1217 I HA 0.270 4.443 4.170 0.004 0.000 0.284 1217 I C 1.326 177.530 176.117 0.145 0.000 1.140 1217 I CA 0.614 61.997 61.300 0.138 0.000 1.420 1217 I CB -0.021 38.111 38.000 0.221 0.000 1.387 1217 I HN 1.023 nan 8.210 nan 0.000 0.553 1218 G N 4.395 113.237 108.800 0.071 0.000 2.143 1218 G HA2 -0.207 3.755 3.960 0.004 0.000 0.175 1218 G HA3 -0.207 3.755 3.960 0.004 0.000 0.175 1218 G C -0.093 174.811 174.900 0.007 0.000 1.004 1218 G CA -0.359 44.773 45.100 0.053 0.000 0.671 1218 G HN 0.700 nan 8.290 nan 0.000 0.512 1219 E N 0.742 120.924 120.200 -0.030 0.000 2.174 1219 E HA 0.667 5.019 4.350 0.004 0.000 0.282 1219 E C 0.773 177.318 176.600 -0.092 0.000 0.992 1219 E CA -0.120 56.243 56.400 -0.062 0.000 0.803 1219 E CB 0.894 30.535 29.700 -0.098 0.000 1.090 1219 E HN 0.777 nan 8.360 nan 0.000 0.396 1220 A N 4.900 127.684 122.820 -0.060 0.000 2.639 1220 A HA 0.085 4.408 4.320 0.004 0.000 0.295 1220 A C 0.845 178.381 177.584 -0.079 0.000 1.443 1220 A CA -0.214 51.792 52.037 -0.052 0.000 1.117 1220 A CB -0.100 18.888 19.000 -0.020 0.000 1.098 1220 A HN 0.637 nan 8.150 nan 0.000 0.552 1221 V N 3.357 123.193 119.914 -0.130 0.000 2.488 1221 V HA -0.106 4.016 4.120 0.004 0.000 0.246 1221 V C 2.696 178.780 176.094 -0.017 0.000 1.046 1221 V CA 2.238 64.444 62.300 -0.157 0.000 1.053 1221 V CB -0.837 30.772 31.823 -0.357 0.000 0.679 1221 V HN 0.904 nan 8.190 nan 0.000 0.458 1222 G N 0.505 109.302 108.800 -0.005 0.000 2.491 1222 G HA2 -0.290 3.673 3.960 0.004 0.000 0.218 1222 G HA3 -0.290 3.673 3.960 0.004 0.000 0.218 1222 G C 1.463 176.385 174.900 0.037 0.000 1.180 1222 G CA 1.530 46.648 45.100 0.030 0.000 0.774 1222 G HN 0.437 nan 8.290 nan 0.000 0.562 1223 I N 0.394 120.980 120.570 0.027 0.000 2.113 1223 I HA -0.134 4.039 4.170 0.004 0.000 0.238 1223 I C 2.907 179.025 176.117 0.001 0.000 1.070 1223 I CA 0.643 61.957 61.300 0.023 0.000 1.332 1223 I CB -0.837 37.176 38.000 0.022 0.000 1.044 1223 I HN 0.032 nan 8.210 nan 0.000 0.402 1224 V N 0.880 120.786 119.914 -0.013 0.000 2.428 1224 V HA -0.382 3.740 4.120 0.004 0.000 0.255 1224 V C 2.523 178.540 176.094 -0.129 0.000 1.080 1224 V CA 2.101 64.376 62.300 -0.043 0.000 1.083 1224 V CB -1.286 30.524 31.823 -0.022 0.000 0.665 1224 V HN 0.553 nan 8.190 nan 0.000 0.461 1225 A N -0.559 122.220 122.820 -0.067 0.000 1.861 1225 A HA 0.114 4.437 4.320 0.004 0.000 0.212 1225 A C 2.430 179.986 177.584 -0.048 0.000 1.199 1225 A CA 1.425 53.405 52.037 -0.094 0.000 0.613 1225 A CB -0.791 18.294 19.000 0.141 0.000 0.846 1225 A HN 0.553 nan 8.150 nan 0.000 0.446 1226 A N -0.347 122.478 122.820 0.009 0.000 1.948 1226 A HA -0.255 4.068 4.320 0.004 0.000 0.220 1226 A C 2.119 179.694 177.584 -0.014 0.000 1.177 1226 A CA 1.898 53.943 52.037 0.014 0.000 0.636 1226 A CB -0.572 18.441 19.000 0.022 0.000 0.815 1226 A HN 0.687 nan 8.150 nan 0.000 0.449 1227 Q N -0.622 119.164 119.800 -0.023 0.000 2.020 1227 Q HA -0.109 4.233 4.340 0.004 0.000 0.198 1227 Q C 2.440 178.435 176.000 -0.008 0.000 0.974 1227 Q CA 1.616 57.415 55.803 -0.007 0.000 0.829 1227 Q CB -0.345 28.406 28.738 0.020 0.000 0.894 1227 Q HN 0.767 nan 8.270 nan 0.000 0.433 1228 S N 0.480 116.137 115.700 -0.070 0.000 2.462 1228 S HA -0.141 4.331 4.470 0.004 0.000 0.243 1228 S C 1.727 176.317 174.600 -0.016 0.000 1.003 1228 S CA 0.956 59.112 58.200 -0.072 0.000 0.970 1228 S CB -0.311 62.719 63.200 -0.283 0.000 0.762 1228 S HN 0.344 nan 8.310 nan 0.000 0.510 1229 I N 0.458 121.020 120.570 -0.014 0.000 3.081 1229 I HA 0.211 4.383 4.170 0.004 0.000 0.274 1229 I C 2.636 178.806 176.117 0.088 0.000 1.178 1229 I CA 0.623 61.931 61.300 0.013 0.000 1.460 1229 I CB -0.588 37.421 38.000 0.015 0.000 1.137 1229 I HN 0.437 nan 8.210 nan 0.000 0.443 1230 G N 0.692 109.509 108.800 0.028 0.000 2.712 1230 G HA2 -0.154 3.808 3.960 0.004 0.000 0.212 1230 G HA3 -0.154 3.808 3.960 0.004 0.000 0.212 1230 G C 1.424 176.339 174.900 0.026 0.000 1.142 1230 G CA 0.318 45.424 45.100 0.010 0.000 0.789 1230 G HN 0.469 nan 8.290 nan 0.000 0.535 1231 E N 0.945 121.175 120.200 0.049 0.000 2.045 1231 E HA 0.013 4.365 4.350 0.004 0.000 0.190 1231 E C -0.259 176.387 176.600 0.076 0.000 0.968 1231 E CA 0.304 56.727 56.400 0.038 0.000 0.813 1231 E CB -0.205 29.526 29.700 0.052 0.000 0.780 1231 E HN 0.237 nan 8.360 nan 0.000 0.455 1232 P HA -0.083 nan 4.420 nan 0.000 0.219 1232 P C 1.331 178.697 177.300 0.109 0.000 1.146 1232 P CA 1.837 65.047 63.100 0.183 0.000 0.808 1232 P CB -0.352 31.561 31.700 0.354 0.000 0.779 1233 G N -0.666 108.206 108.800 0.121 0.000 2.475 1233 G HA2 -0.265 3.698 3.960 0.004 0.000 0.220 1233 G HA3 -0.265 3.698 3.960 0.004 0.000 0.220 1233 G C 1.343 176.216 174.900 -0.046 0.000 1.125 1233 G CA 1.381 46.471 45.100 -0.017 0.000 0.755 1233 G HN 0.210 nan 8.290 nan 0.000 0.565 1234 T N 0.229 114.775 114.554 -0.013 0.000 3.098 1234 T HA -0.018 4.335 4.350 0.004 0.000 0.266 1234 T C 2.198 176.884 174.700 -0.023 0.000 1.145 1234 T CA 1.199 63.287 62.100 -0.020 0.000 1.092 1234 T CB -0.012 68.848 68.868 -0.013 0.000 0.908 1234 T HN 0.409 nan 8.240 nan 0.000 0.526 1235 Q N -0.301 119.484 119.800 -0.026 0.000 2.391 1235 Q HA 0.290 4.633 4.340 0.004 0.000 0.211 1235 Q C 0.614 176.581 176.000 -0.055 0.000 0.908 1235 Q CA -0.060 55.727 55.803 -0.026 0.000 0.920 1235 Q CB 0.115 28.851 28.738 -0.005 0.000 1.056 1235 Q HN 0.478 nan 8.270 nan 0.000 0.523 1256 L N 1.132 122.311 121.223 -0.074 0.000 2.081 1256 L HA 0.076 4.418 4.340 0.004 0.000 0.212 1256 L C -0.029 176.833 176.870 -0.013 0.000 1.080 1256 L CA 2.814 57.617 54.840 -0.062 0.000 0.754 1256 L CB -0.994 41.030 42.059 -0.059 0.000 0.893 1256 L HN 0.365 nan 8.230 nan 0.000 0.433 1257 P HA -0.209 nan 4.420 nan 0.000 0.217 1257 P C 1.458 178.783 177.300 0.042 0.000 1.151 1257 P CA 1.366 64.480 63.100 0.023 0.000 0.849 1257 P CB -0.019 31.692 31.700 0.018 0.000 0.787 1258 R N -0.078 120.444 120.500 0.037 0.000 2.062 1258 R HA -0.053 4.289 4.340 0.004 0.000 0.229 1258 R C 1.922 178.284 176.300 0.102 0.000 1.128 1258 R CA 1.463 57.598 56.100 0.059 0.000 0.960 1258 R CB -1.553 28.771 30.300 0.040 0.000 0.855 1258 R HN -0.043 nan 8.270 nan 0.000 0.432 1259 V N 1.589 121.564 119.914 0.103 0.000 2.439 1259 V HA -0.285 3.838 4.120 0.004 0.000 0.253 1259 V C 2.168 178.422 176.094 0.266 0.000 1.074 1259 V CA 1.709 64.138 62.300 0.214 0.000 1.076 1259 V CB -0.652 31.241 31.823 0.117 0.000 0.664 1259 V HN 0.246 nan 8.190 nan 0.000 0.461 1260 I N -0.171 120.483 120.570 0.139 0.000 2.333 1260 I HA -0.116 4.056 4.170 0.004 0.000 0.246 1260 I C 2.460 178.672 176.117 0.159 0.000 1.106 1260 I CA 1.109 62.488 61.300 0.130 0.000 1.411 1260 I CB -1.452 36.595 38.000 0.078 0.000 1.082 1260 I HN 0.404 nan 8.210 nan 0.000 0.420 1261 E N 0.444 120.721 120.200 0.128 0.000 2.267 1261 E HA -0.209 4.143 4.350 0.004 0.000 0.197 1261 E C 2.065 178.737 176.600 0.119 0.000 0.998 1261 E CA 0.940 57.407 56.400 0.110 0.000 0.830 1261 E CB 0.067 29.820 29.700 0.089 0.000 0.751 1261 E HN 0.256 nan 8.360 nan 0.000 0.491 1262 L N -0.993 120.326 121.223 0.160 0.000 2.130 1262 L HA -0.004 4.338 4.340 0.004 0.000 0.200 1262 L C 1.854 178.779 176.870 0.092 0.000 1.075 1262 L CA 1.368 56.280 54.840 0.121 0.000 0.768 1262 L CB -0.682 41.459 42.059 0.137 0.000 0.933 1262 L HN 0.056 nan 8.230 nan 0.000 0.451 1263 F N -0.265 119.714 119.950 0.048 0.000 2.325 1263 F HA -0.051 4.479 4.527 0.004 0.000 0.299 1263 F C 0.957 176.777 175.800 0.035 0.000 1.090 1263 F CA 0.450 58.475 58.000 0.042 0.000 1.392 1263 F CB -0.096 38.928 39.000 0.039 0.000 1.053 1263 F HN -0.001 nan 8.300 nan 0.000 0.521 1264 E N 0.355 120.683 120.200 0.214 0.000 2.092 1264 E HA 0.457 4.809 4.350 0.004 0.000 0.271 1264 E C -0.338 176.315 176.600 0.089 0.000 0.919 1264 E CA -0.392 56.089 56.400 0.136 0.000 0.760 1264 E CB 0.901 30.678 29.700 0.129 0.000 1.106 1264 E HN 0.108 nan 8.360 nan 0.000 0.408 1265 A N 5.512 128.358 122.820 0.043 0.000 2.524 1265 A HA 0.161 4.483 4.320 0.004 0.000 0.271 1265 A C -0.005 177.618 177.584 0.066 0.000 1.097 1265 A CA 0.530 52.528 52.037 -0.066 0.000 0.791 1265 A CB -0.143 18.661 19.000 -0.327 0.000 1.028 1265 A HN 0.582 nan 8.150 nan 0.000 0.518 1266 R N 0.855 121.390 120.500 0.057 0.000 2.831 1266 R HA 0.567 4.910 4.340 0.004 0.000 0.266 1266 R C -0.375 175.977 176.300 0.087 0.000 1.051 1266 R CA -1.031 55.130 56.100 0.101 0.000 0.943 1266 R CB 1.688 32.044 30.300 0.094 0.000 1.228 1266 R HN 0.721 nan 8.270 nan 0.000 0.467 1267 R N 2.055 122.608 120.500 0.088 0.000 2.247 1267 R HA 0.331 4.673 4.340 0.004 0.000 0.329 1267 R C -2.296 174.041 176.300 0.063 0.000 1.014 1267 R CA -1.450 54.694 56.100 0.074 0.000 0.907 1267 R CB 0.642 30.986 30.300 0.074 0.000 1.146 1267 R HN 0.336 nan 8.270 nan 0.000 0.499 1268 P HA -0.072 nan 4.420 nan 0.000 0.271 1268 P C 0.199 177.527 177.300 0.047 0.000 1.233 1268 P CA -0.278 62.856 63.100 0.056 0.000 0.795 1268 P CB 0.762 32.499 31.700 0.062 0.000 0.936 1269 K N 0.753 121.178 120.400 0.042 0.000 1.964 1269 K HA -0.046 4.277 4.320 0.004 0.000 0.218 1269 K C 0.530 177.151 176.600 0.034 0.000 1.043 1269 K CA 1.346 57.654 56.287 0.035 0.000 0.966 1269 K CB -0.710 31.808 32.500 0.031 0.000 0.739 1269 K HN 0.513 nan 8.250 nan 0.000 0.443 1270 A N 2.485 125.324 122.820 0.033 0.000 2.527 1270 A HA 0.130 4.452 4.320 0.004 0.000 0.313 1270 A C -0.367 177.238 177.584 0.035 0.000 1.410 1270 A CA -0.220 51.836 52.037 0.031 0.000 1.060 1270 A CB -0.016 19.001 19.000 0.028 0.000 1.137 1270 A HN 0.372 nan 8.150 nan 0.000 0.542 1271 K N 1.815 122.236 120.400 0.035 0.000 2.168 1271 K HA 0.553 4.876 4.320 0.004 0.000 0.258 1271 K C -0.292 176.326 176.600 0.030 0.000 1.010 1271 K CA -0.015 56.293 56.287 0.037 0.000 0.929 1271 K CB 0.801 33.324 32.500 0.038 0.000 0.998 1271 K HN 0.639 nan 8.250 nan 0.000 0.479 1272 A N 3.131 125.966 122.820 0.025 0.000 2.340 1272 A HA 0.265 4.588 4.320 0.004 0.000 0.297 1272 A C -0.583 176.997 177.584 -0.007 0.000 1.195 1272 A CA -0.841 51.201 52.037 0.009 0.000 0.769 1272 A CB 0.839 19.843 19.000 0.007 0.000 1.163 1272 A HN 0.606 nan 8.150 nan 0.000 0.472 1273 V N 2.568 122.477 119.914 -0.008 0.000 2.475 1273 V HA 0.370 4.492 4.120 0.004 0.000 0.292 1273 V C 0.124 176.108 176.094 -0.183 0.000 1.003 1273 V CA 0.094 62.386 62.300 -0.015 0.000 1.120 1273 V CB -1.177 30.693 31.823 0.078 0.000 0.937 1273 V HN 0.821 nan 8.190 nan 0.000 0.476 1274 I N 3.860 124.351 120.570 -0.133 0.000 2.472 1274 I HA 0.600 4.772 4.170 0.004 0.000 0.290 1274 I C 0.748 176.670 176.117 -0.325 0.000 1.016 1274 I CA -0.215 60.975 61.300 -0.183 0.000 1.348 1274 I CB 1.303 39.247 38.000 -0.093 0.000 1.417 1274 I HN 0.709 nan 8.210 nan 0.000 0.521 1275 S N 2.847 118.353 115.700 -0.325 0.000 2.494 1275 S HA 0.241 4.714 4.470 0.004 0.000 0.312 1275 S C 0.569 175.100 174.600 -0.114 0.000 1.121 1275 S CA -0.580 57.420 58.200 -0.333 0.000 1.068 1275 S CB 0.085 63.126 63.200 -0.265 0.000 1.141 1275 S HN 0.779 nan 8.310 nan 0.000 0.527 1276 E N 1.880 122.088 120.200 0.014 0.000 2.401 1276 E HA 0.033 4.385 4.350 0.004 0.000 0.199 1276 E C 0.166 176.748 176.600 -0.030 0.000 1.023 1276 E CA 0.729 57.144 56.400 0.025 0.000 0.859 1276 E CB 0.032 29.777 29.700 0.076 0.000 0.780 1276 E HN 0.694 nan 8.360 nan 0.000 0.523 1277 I N 1.657 122.190 120.570 -0.062 0.000 2.569 1277 I HA 0.095 4.267 4.170 0.004 0.000 0.296 1277 I C -0.640 175.409 176.117 -0.114 0.000 1.028 1277 I CA -0.952 60.280 61.300 -0.113 0.000 1.082 1277 I CB 1.799 39.670 38.000 -0.214 0.000 1.264 1277 I HN -0.066 nan 8.210 nan 0.000 0.429 1278 D N 5.193 125.538 120.400 -0.091 0.000 2.412 1278 D HA 0.483 5.125 4.640 0.004 0.000 0.224 1278 D C -0.087 176.004 176.300 -0.349 0.000 1.093 1278 D CA -0.255 53.689 54.000 -0.094 0.000 0.850 1278 D CB 2.165 43.048 40.800 0.140 0.000 1.046 1278 D HN 0.705 nan 8.370 nan 0.000 0.507 1279 G N 1.203 109.642 108.800 -0.602 0.000 3.008 1279 G HA2 0.503 4.465 3.960 0.004 0.000 0.148 1279 G HA3 0.503 4.465 3.960 0.004 0.000 0.148 1279 G C -0.673 173.754 174.900 -0.789 0.000 1.184 1279 G CA 0.013 44.670 45.100 -0.739 0.000 1.087 1279 G HN 0.625 nan 8.290 nan 0.000 0.602 1280 V N -1.765 117.926 119.914 -0.372 0.000 3.046 1280 V HA 0.891 5.013 4.120 0.004 0.000 0.316 1280 V C -0.450 175.585 176.094 -0.098 0.000 1.104 1280 V CA -1.009 61.170 62.300 -0.202 0.000 1.006 1280 V CB 1.575 33.331 31.823 -0.113 0.000 1.058 1280 V HN 0.585 nan 8.190 nan 0.000 0.440 1281 V N 2.159 122.046 119.914 -0.045 0.000 2.612 1281 V HA 0.806 4.928 4.120 0.004 0.000 0.301 1281 V C -0.063 176.043 176.094 0.020 0.000 1.046 1281 V CA -0.467 61.828 62.300 -0.008 0.000 0.946 1281 V CB 1.829 33.643 31.823 -0.015 0.000 1.003 1281 V HN 1.029 nan 8.190 nan 0.000 0.459 1282 R N 2.977 123.512 120.500 0.059 0.000 2.584 1282 R HA 0.700 5.042 4.340 0.004 0.000 0.276 1282 R C -1.448 174.902 176.300 0.083 0.000 1.046 1282 R CA -0.309 55.821 56.100 0.050 0.000 0.906 1282 R CB 1.600 31.914 30.300 0.023 0.000 1.215 1282 R HN 0.654 nan 8.270 nan 0.000 0.449 1283 I N 0.862 121.462 120.570 0.051 0.000 2.910 1283 I HA 0.597 4.770 4.170 0.004 0.000 0.310 1283 I C -0.200 175.935 176.117 0.030 0.000 1.043 1283 I CA -1.078 60.261 61.300 0.065 0.000 1.053 1283 I CB 2.156 40.185 38.000 0.049 0.000 1.242 1283 I HN 0.475 nan 8.210 nan 0.000 0.452 1284 E N 1.524 121.748 120.200 0.040 0.000 2.410 1284 E HA 0.234 4.586 4.350 0.004 0.000 0.269 1284 E C -0.293 176.321 176.600 0.023 0.000 0.937 1284 E CA -0.436 55.972 56.400 0.014 0.000 0.793 1284 E CB 1.511 31.211 29.700 -0.000 0.000 1.314 1284 E HN 0.580 nan 8.360 nan 0.000 0.447 1285 E N 1.398 121.605 120.200 0.012 0.000 2.473 1285 E HA 0.064 4.416 4.350 0.004 0.000 0.204 1285 E C -0.010 176.600 176.600 0.016 0.000 0.994 1285 E CA 0.080 56.489 56.400 0.014 0.000 0.945 1285 E CB 0.170 29.875 29.700 0.008 0.000 0.990 1285 E HN 0.405 nan 8.360 nan 0.000 0.493 1286 T N 2.079 116.642 114.554 0.015 0.000 2.923 1286 T HA -0.088 4.264 4.350 0.004 0.000 0.320 1286 T C 0.871 175.583 174.700 0.020 0.000 1.074 1286 T CA 0.693 62.802 62.100 0.016 0.000 1.131 1286 T CB 0.599 69.477 68.868 0.016 0.000 1.058 1286 T HN 0.207 nan 8.240 nan 0.000 0.535 1287 E N 2.052 122.262 120.200 0.017 0.000 2.041 1287 E HA -0.259 4.093 4.350 0.004 0.000 0.227 1287 E C 1.906 178.518 176.600 0.021 0.000 1.039 1287 E CA 1.976 58.386 56.400 0.017 0.000 0.904 1287 E CB -0.237 29.472 29.700 0.014 0.000 0.808 1287 E HN 0.838 nan 8.360 nan 0.000 0.510 1288 E N 1.407 121.620 120.200 0.021 0.000 1.995 1288 E HA -0.174 4.178 4.350 0.004 0.000 0.207 1288 E C -0.049 176.567 176.600 0.028 0.000 1.016 1288 E CA 1.265 57.679 56.400 0.022 0.000 0.865 1288 E CB 0.106 29.819 29.700 0.021 0.000 0.797 1288 E HN 0.032 nan 8.360 nan 0.000 0.491 1289 K N 0.516 120.937 120.400 0.034 0.000 2.182 1289 K HA 0.292 4.614 4.320 0.004 0.000 0.262 1289 K C -0.652 175.981 176.600 0.055 0.000 0.957 1289 K CA -0.816 55.497 56.287 0.042 0.000 0.842 1289 K CB 1.753 34.279 32.500 0.044 0.000 1.099 1289 K HN 0.051 nan 8.250 nan 0.000 0.438 1290 L N 1.208 122.466 121.223 0.059 0.000 2.505 1290 L HA 0.310 4.652 4.340 0.004 0.000 0.226 1290 L C 0.085 177.022 176.870 0.111 0.000 1.211 1290 L CA 0.395 55.279 54.840 0.073 0.000 0.828 1290 L CB 0.818 42.913 42.059 0.061 0.000 1.331 1290 L HN 0.864 nan 8.230 nan 0.000 0.513 1291 S N -1.331 114.459 115.700 0.150 0.000 2.605 1291 S HA 0.559 5.032 4.470 0.004 0.000 0.279 1291 S C -1.226 173.554 174.600 0.300 0.000 1.166 1291 S CA -0.885 57.465 58.200 0.251 0.000 0.975 1291 S CB 0.797 64.254 63.200 0.428 0.000 1.111 1291 S HN 0.173 nan 8.310 nan 0.000 0.465 1292 V N 3.687 123.731 119.914 0.218 0.000 2.350 1292 V HA 0.555 4.677 4.120 0.004 0.000 0.276 1292 V C -1.180 175.028 176.094 0.191 0.000 1.028 1292 V CA -0.253 62.153 62.300 0.177 0.000 0.860 1292 V CB 0.294 32.134 31.823 0.028 0.000 0.990 1292 V HN 0.835 nan 8.190 nan 0.000 0.453 1293 F N 3.522 123.493 119.950 0.035 0.000 2.467 1293 F HA 0.517 5.047 4.527 0.004 0.000 0.336 1293 F C 0.145 175.938 175.800 -0.012 0.000 1.123 1293 F CA -0.819 57.207 58.000 0.043 0.000 0.964 1293 F CB 2.076 41.091 39.000 0.025 0.000 1.136 1293 F HN 0.195 nan 8.300 nan 0.000 0.447 1294 V N 4.729 124.708 119.914 0.109 0.000 2.389 1294 V HA 0.312 4.434 4.120 0.004 0.000 0.264 1294 V C -0.053 176.047 176.094 0.010 0.000 1.049 1294 V CA -0.280 62.017 62.300 -0.006 0.000 0.932 1294 V CB 0.218 31.988 31.823 -0.088 0.000 1.011 1294 V HN 0.719 nan 8.190 nan 0.000 0.475 1295 E N 3.889 124.088 120.200 -0.002 0.000 2.416 1295 E HA 0.729 5.081 4.350 0.004 0.000 0.273 1295 E C -1.301 175.288 176.600 -0.019 0.000 0.935 1295 E CA -0.809 55.603 56.400 0.020 0.000 0.784 1295 E CB 2.472 32.221 29.700 0.081 0.000 1.301 1295 E HN 0.390 nan 8.360 nan 0.000 0.454 1296 S N 0.262 115.983 115.700 0.035 0.000 2.618 1296 S HA 0.210 4.682 4.470 0.004 0.000 0.277 1296 S C 0.163 174.816 174.600 0.088 0.000 1.138 1296 S CA -0.678 57.557 58.200 0.057 0.000 0.844 1296 S CB 1.654 64.914 63.200 0.099 0.000 1.127 1296 S HN 0.679 nan 8.310 nan 0.000 0.474 1297 E N 0.465 120.705 120.200 0.066 0.000 2.533 1297 E HA 0.067 4.419 4.350 0.004 0.000 0.201 1297 E C 1.304 177.946 176.600 0.070 0.000 1.097 1297 E CA 0.824 57.256 56.400 0.054 0.000 0.887 1297 E CB -0.357 29.362 29.700 0.032 0.000 0.855 1297 E HN 0.733 nan 8.360 nan 0.000 0.540 1298 G N -0.351 108.526 108.800 0.129 0.000 2.828 1298 G HA2 0.226 4.188 3.960 0.004 0.000 0.201 1298 G HA3 0.226 4.188 3.960 0.004 0.000 0.201 1298 G C 0.159 175.220 174.900 0.268 0.000 1.102 1298 G CA 0.173 45.355 45.100 0.135 0.000 0.815 1298 G HN 0.298 nan 8.290 nan 0.000 0.590 1299 F N -0.469 119.493 119.950 0.021 0.000 2.770 1299 F HA 0.615 5.144 4.527 0.004 0.000 0.313 1299 F C -0.958 174.885 175.800 0.072 0.000 1.154 1299 F CA -1.223 56.803 58.000 0.042 0.000 0.923 1299 F CB 1.303 40.324 39.000 0.036 0.000 1.301 1299 F HN 0.131 nan 8.300 nan 0.000 0.449 1300 S N 1.258 117.087 115.700 0.216 0.000 2.513 1300 S HA 0.611 5.083 4.470 0.004 0.000 0.299 1300 S C -1.253 173.401 174.600 0.090 0.000 1.087 1300 S CA -0.887 57.423 58.200 0.184 0.000 1.012 1300 S CB 2.071 65.575 63.200 0.506 0.000 1.044 1300 S HN 0.711 nan 8.310 nan 0.000 0.485 1301 K N 2.162 122.539 120.400 -0.038 0.000 2.300 1301 K HA 0.249 4.572 4.320 0.004 0.000 0.264 1301 K C -0.193 176.135 176.600 -0.453 0.000 1.083 1301 K CA -0.634 55.549 56.287 -0.173 0.000 0.958 1301 K CB 0.226 32.673 32.500 -0.089 0.000 1.318 1301 K HN 0.851 nan 8.250 nan 0.000 0.448 1302 E N 3.348 123.100 120.200 -0.746 0.000 2.606 1302 E HA -0.132 4.220 4.350 0.004 0.000 0.248 1302 E C -1.180 174.837 176.600 -0.973 0.000 1.005 1302 E CA 0.540 56.082 56.400 -1.431 0.000 0.946 1302 E CB 0.178 29.572 29.700 -0.510 0.000 0.928 1302 E HN 0.413 nan 8.360 nan 0.000 0.494 1303 Y N 4.473 124.252 120.300 -0.867 0.000 2.464 1303 Y HA 0.205 4.758 4.550 0.004 0.000 0.326 1303 Y C -0.284 175.479 175.900 -0.228 0.000 0.969 1303 Y CA -0.912 56.954 58.100 -0.391 0.000 1.270 1303 Y CB 1.273 39.562 38.460 -0.285 0.000 1.103 1303 Y HN 0.363 nan 8.280 nan 0.000 0.491 1304 K N 5.366 125.702 120.400 -0.107 0.000 2.382 1304 K HA 0.207 4.530 4.320 0.004 0.000 0.286 1304 K C -0.754 175.869 176.600 0.038 0.000 1.062 1304 K CA 0.222 56.499 56.287 -0.016 0.000 1.000 1304 K CB 0.461 32.938 32.500 -0.039 0.000 0.954 1304 K HN 0.560 nan 8.250 nan 0.000 0.470 1305 L N 5.648 126.906 121.223 0.059 0.000 2.387 1305 L HA 0.277 4.620 4.340 0.004 0.000 0.259 1305 L C -2.211 174.686 176.870 0.046 0.000 1.050 1305 L CA -2.035 52.839 54.840 0.057 0.000 0.922 1305 L CB 0.580 42.676 42.059 0.062 0.000 1.280 1305 L HN 0.291 nan 8.230 nan 0.000 0.449 1306 P HA -0.045 nan 4.420 nan 0.000 0.275 1306 P C 0.846 178.164 177.300 0.030 0.000 1.262 1306 P CA 0.224 63.342 63.100 0.031 0.000 0.834 1306 P CB 0.802 32.517 31.700 0.025 0.000 1.098 1307 K N 0.258 120.674 120.400 0.026 0.000 2.044 1307 K HA -0.218 4.105 4.320 0.004 0.000 0.210 1307 K C 1.752 178.366 176.600 0.023 0.000 1.049 1307 K CA 1.912 58.213 56.287 0.025 0.000 0.927 1307 K CB -0.383 32.130 32.500 0.022 0.000 0.713 1307 K HN 0.445 nan 8.250 nan 0.000 0.443 1308 E N 0.541 120.754 120.200 0.022 0.000 2.409 1308 E HA -0.023 4.329 4.350 0.004 0.000 0.198 1308 E C 0.024 176.637 176.600 0.022 0.000 1.024 1308 E CA 0.302 56.715 56.400 0.021 0.000 0.861 1308 E CB 0.150 29.862 29.700 0.020 0.000 0.788 1308 E HN 0.297 nan 8.360 nan 0.000 0.521 1309 A N 2.030 124.864 122.820 0.023 0.000 2.328 1309 A HA 0.314 4.637 4.320 0.004 0.000 0.284 1309 A C -0.075 177.521 177.584 0.020 0.000 1.160 1309 A CA -0.554 51.496 52.037 0.022 0.000 0.818 1309 A CB 0.244 19.260 19.000 0.026 0.000 1.087 1309 A HN 0.184 nan 8.150 nan 0.000 0.504 1310 R N 3.221 123.731 120.500 0.017 0.000 2.215 1310 R HA 0.551 4.893 4.340 0.004 0.000 0.336 1310 R C -1.300 175.006 176.300 0.009 0.000 0.996 1310 R CA -0.419 55.689 56.100 0.014 0.000 0.847 1310 R CB 0.077 30.385 30.300 0.014 0.000 1.127 1310 R HN 0.590 nan 8.270 nan 0.000 0.465 1311 L N 1.864 123.092 121.223 0.008 0.000 2.309 1311 L HA 0.445 4.787 4.340 0.004 0.000 0.282 1311 L C 0.487 177.358 176.870 0.002 0.000 1.036 1311 L CA -0.913 53.927 54.840 0.001 0.000 0.806 1311 L CB 1.346 43.407 42.059 0.002 0.000 1.220 1311 L HN 0.627 nan 8.230 nan 0.000 0.429 1312 L N 2.116 123.337 121.223 -0.003 0.000 2.609 1312 L HA 0.257 4.599 4.340 0.004 0.000 0.230 1312 L C 0.775 177.645 176.870 -0.001 0.000 1.087 1312 L CA -0.038 54.803 54.840 0.000 0.000 0.874 1312 L CB 1.277 43.337 42.059 0.002 0.000 1.114 1312 L HN 0.562 nan 8.230 nan 0.000 0.488 1313 V N 2.723 122.632 119.914 -0.009 0.000 2.655 1313 V HA 0.026 4.148 4.120 0.004 0.000 0.300 1313 V C 0.234 176.328 176.094 0.001 0.000 1.044 1313 V CA -0.119 62.176 62.300 -0.007 0.000 1.095 1313 V CB 0.785 32.594 31.823 -0.024 0.000 0.952 1313 V HN 0.294 nan 8.190 nan 0.000 0.485 1314 K N 3.671 124.075 120.400 0.006 0.000 2.211 1314 K HA 0.537 4.860 4.320 0.004 0.000 0.237 1314 K C -0.777 175.830 176.600 0.012 0.000 1.002 1314 K CA -0.878 55.415 56.287 0.010 0.000 0.885 1314 K CB 1.143 33.649 32.500 0.010 0.000 1.136 1314 K HN 0.543 nan 8.250 nan 0.000 0.448 1315 D N 0.438 120.846 120.400 0.013 0.000 2.383 1315 D HA 0.217 4.860 4.640 0.004 0.000 0.275 1315 D C 0.675 176.982 176.300 0.012 0.000 1.344 1315 D CA 1.267 55.275 54.000 0.013 0.000 0.984 1315 D CB 0.457 41.264 40.800 0.012 0.000 1.104 1315 D HN 0.867 nan 8.370 nan 0.000 0.524 1316 G N 2.417 111.224 108.800 0.012 0.000 4.278 1316 G HA2 -0.160 3.802 3.960 0.004 0.000 0.160 1316 G HA3 -0.160 3.802 3.960 0.004 0.000 0.160 1316 G C -0.251 174.664 174.900 0.024 0.000 2.002 1316 G CA -0.563 44.546 45.100 0.015 0.000 1.013 1316 G HN 0.469 nan 8.290 nan 0.000 0.315 1317 D N -0.182 120.238 120.400 0.034 0.000 2.332 1317 D HA 0.517 5.159 4.640 0.004 0.000 0.252 1317 D C -0.384 175.967 176.300 0.085 0.000 1.050 1317 D CA -0.480 53.560 54.000 0.067 0.000 0.970 1317 D CB 1.375 42.214 40.800 0.066 0.000 1.141 1317 D HN 0.046 nan 8.370 nan 0.000 0.485 1318 Y N 0.531 120.826 120.300 -0.009 0.000 2.788 1318 Y HA 0.055 4.607 4.550 0.004 0.000 0.341 1318 Y C 0.201 176.088 175.900 -0.022 0.000 1.258 1318 Y CA 0.432 58.524 58.100 -0.013 0.000 1.503 1318 Y CB 0.387 38.841 38.460 -0.011 0.000 1.325 1318 Y HN 0.023 nan 8.280 nan 0.000 0.614 1319 V N 2.734 122.745 119.914 0.162 0.000 2.501 1319 V HA 0.397 4.519 4.120 0.004 0.000 0.277 1319 V C -0.510 175.664 176.094 0.134 0.000 1.004 1319 V CA -1.193 61.170 62.300 0.106 0.000 0.862 1319 V CB 0.865 32.665 31.823 -0.038 0.000 1.035 1319 V HN 0.762 nan 8.190 nan 0.000 0.448 1320 E N 2.912 123.258 120.200 0.245 0.000 2.447 1320 E HA 0.536 4.889 4.350 0.004 0.000 0.259 1320 E C 0.905 177.540 176.600 0.059 0.000 1.196 1320 E CA 0.534 57.054 56.400 0.200 0.000 0.995 1320 E CB 0.752 30.524 29.700 0.121 0.000 0.974 1320 E HN 1.154 nan 8.360 nan 0.000 0.465 1321 A N 1.417 124.261 122.820 0.040 0.000 2.522 1321 A HA 0.406 4.728 4.320 0.004 0.000 0.256 1321 A C 1.010 178.578 177.584 -0.027 0.000 1.086 1321 A CA 0.598 52.630 52.037 -0.008 0.000 0.763 1321 A CB -0.787 18.211 19.000 -0.002 0.000 1.024 1321 A HN 0.855 nan 8.150 nan 0.000 0.502 1322 G N 1.295 110.063 108.800 -0.054 0.000 2.137 1322 G HA2 -0.230 3.732 3.960 0.004 0.000 0.237 1322 G HA3 -0.230 3.732 3.960 0.004 0.000 0.237 1322 G C 0.165 175.023 174.900 -0.071 0.000 1.002 1322 G CA 0.469 45.524 45.100 -0.076 0.000 0.702 1322 G HN 1.378 nan 8.290 nan 0.000 0.515 1323 Q N 0.551 120.313 119.800 -0.063 0.000 2.288 1323 Q HA 0.559 4.901 4.340 0.004 0.000 0.254 1323 Q C -2.406 173.551 176.000 -0.072 0.000 0.932 1323 Q CA -1.961 53.814 55.803 -0.046 0.000 0.902 1323 Q CB 1.016 29.739 28.738 -0.025 0.000 1.203 1323 Q HN 0.153 nan 8.270 nan 0.000 0.415 1324 P HA -0.065 nan 4.420 nan 0.000 0.259 1324 P C -0.700 176.557 177.300 -0.071 0.000 1.211 1324 P CA 0.338 63.411 63.100 -0.044 0.000 0.810 1324 P CB 0.393 32.089 31.700 -0.007 0.000 0.815 1325 L N 2.824 123.974 121.223 -0.122 0.000 2.693 1325 L HA 0.218 4.560 4.340 0.004 0.000 0.235 1325 L C 0.813 177.619 176.870 -0.106 0.000 1.127 1325 L CA 1.084 55.833 54.840 -0.151 0.000 0.914 1325 L CB 0.135 42.012 42.059 -0.303 0.000 1.193 1325 L HN 0.276 nan 8.230 nan 0.000 0.502 1326 T N -1.668 112.843 114.554 -0.071 0.000 2.724 1326 T HA 0.528 4.881 4.350 0.004 0.000 0.274 1326 T C -0.574 174.118 174.700 -0.013 0.000 0.984 1326 T CA -0.658 61.423 62.100 -0.032 0.000 1.024 1326 T CB 2.110 70.967 68.868 -0.019 0.000 1.320 1326 T HN -0.160 nan 8.240 nan 0.000 0.555 1327 R N -0.565 119.936 120.500 0.002 0.000 2.561 1327 R HA 0.650 4.992 4.340 0.004 0.000 0.297 1327 R C 0.238 176.549 176.300 0.017 0.000 0.969 1327 R CA 0.257 56.363 56.100 0.009 0.000 0.879 1327 R CB 1.564 31.870 30.300 0.010 0.000 1.178 1327 R HN 1.007 nan 8.270 nan 0.000 0.445 1328 G N 1.498 110.312 108.800 0.024 0.000 2.254 1328 G HA2 0.101 4.063 3.960 0.004 0.000 0.193 1328 G HA3 0.101 4.063 3.960 0.004 0.000 0.193 1328 G C -1.365 173.562 174.900 0.046 0.000 1.233 1328 G CA -0.274 44.845 45.100 0.031 0.000 1.290 1328 G HN 0.767 nan 8.290 nan 0.000 0.517 1329 A N -0.524 122.327 122.820 0.052 0.000 2.281 1329 A HA 0.907 5.229 4.320 0.004 0.000 0.329 1329 A C -0.471 177.161 177.584 0.079 0.000 1.122 1329 A CA -0.161 51.922 52.037 0.077 0.000 0.850 1329 A CB 1.107 20.148 19.000 0.069 0.000 1.207 1329 A HN 1.226 nan 8.150 nan 0.000 0.495 1330 I N -0.477 120.162 120.570 0.115 0.000 3.239 1330 I HA 0.397 4.570 4.170 0.004 0.000 0.314 1330 I C -1.030 175.116 176.117 0.048 0.000 1.126 1330 I CA -0.274 61.060 61.300 0.057 0.000 0.973 1330 I CB 2.304 40.305 38.000 0.001 0.000 1.252 1330 I HN 0.636 nan 8.210 nan 0.000 0.463 1331 D N 2.294 122.681 120.400 -0.022 0.000 2.391 1331 D HA 0.422 5.065 4.640 0.004 0.000 0.245 1331 D C -2.196 174.044 176.300 -0.100 0.000 1.069 1331 D CA -2.272 51.718 54.000 -0.016 0.000 0.831 1331 D CB 2.459 43.276 40.800 0.029 0.000 1.204 1331 D HN 0.042 nan 8.370 nan 0.000 0.503 1332 P HA -0.183 nan 4.420 nan 0.000 0.215 1332 P C 1.151 178.346 177.300 -0.175 0.000 1.157 1332 P CA 1.264 64.252 63.100 -0.186 0.000 0.874 1332 P CB 0.141 31.722 31.700 -0.199 0.000 0.790 1333 H N -0.399 118.666 119.070 -0.010 0.000 2.290 1333 H HA -0.130 4.428 4.556 0.004 0.000 0.298 1333 H C 2.072 177.387 175.328 -0.023 0.000 1.087 1333 H CA 1.559 57.605 56.048 -0.004 0.000 1.291 1333 H CB -0.811 28.956 29.762 0.008 0.000 1.369 1333 H HN 0.304 nan 8.280 nan 0.000 0.492 1334 Q N -0.087 119.765 119.800 0.087 0.000 2.030 1334 Q HA -0.131 4.211 4.340 0.004 0.000 0.204 1334 Q C 2.512 178.495 176.000 -0.029 0.000 0.986 1334 Q CA 1.114 56.932 55.803 0.024 0.000 0.843 1334 Q CB -0.229 28.513 28.738 0.007 0.000 0.904 1334 Q HN 0.158 nan 8.270 nan 0.000 0.420 1335 L N 0.871 122.035 121.223 -0.097 0.000 2.127 1335 L HA -0.180 4.163 4.340 0.004 0.000 0.211 1335 L C 2.053 178.863 176.870 -0.099 0.000 1.089 1335 L CA 1.189 55.933 54.840 -0.161 0.000 0.757 1335 L CB -0.459 41.391 42.059 -0.348 0.000 0.899 1335 L HN 0.287 nan 8.230 nan 0.000 0.434 1336 L N -1.113 120.077 121.223 -0.054 0.000 2.027 1336 L HA -0.146 4.197 4.340 0.004 0.000 0.206 1336 L C 2.302 179.172 176.870 -0.001 0.000 1.074 1336 L CA 1.727 56.560 54.840 -0.011 0.000 0.745 1336 L CB -0.795 41.283 42.059 0.032 0.000 0.898 1336 L HN 0.169 nan 8.230 nan 0.000 0.433 1337 E N 0.110 120.315 120.200 0.007 0.000 2.051 1337 E HA -0.122 4.230 4.350 0.004 0.000 0.192 1337 E C 2.115 178.708 176.600 -0.011 0.000 0.991 1337 E CA 1.757 58.160 56.400 0.004 0.000 0.799 1337 E CB -0.486 29.221 29.700 0.012 0.000 0.748 1337 E HN 0.660 nan 8.360 nan 0.000 0.449 1338 A N 0.263 123.071 122.820 -0.020 0.000 1.832 1338 A HA -0.094 4.228 4.320 0.004 0.000 0.214 1338 A C 2.053 179.621 177.584 -0.027 0.000 1.204 1338 A CA 1.616 53.638 52.037 -0.024 0.000 0.606 1338 A CB -0.312 18.668 19.000 -0.033 0.000 0.849 1338 A HN 0.106 nan 8.150 nan 0.000 0.445 1339 K N -1.417 118.960 120.400 -0.038 0.000 2.367 1339 K HA 0.331 4.653 4.320 0.004 0.000 0.194 1339 K C 0.440 177.025 176.600 -0.024 0.000 1.027 1339 K CA 0.595 56.863 56.287 -0.031 0.000 1.075 1339 K CB 0.082 32.558 32.500 -0.040 0.000 0.845 1339 K HN 0.801 nan 8.250 nan 0.000 0.529 1340 G N 0.403 109.190 108.800 -0.022 0.000 2.663 1340 G HA2 -0.162 3.800 3.960 0.004 0.000 0.686 1340 G HA3 -0.162 3.800 3.960 0.004 0.000 0.686 1340 G C -2.498 172.402 174.900 -0.001 0.000 1.288 1340 G CA -0.705 44.387 45.100 -0.012 0.000 0.836 1340 G HN -0.100 nan 8.290 nan 0.000 0.584 1341 P HA 0.005 nan 4.420 nan 0.000 0.215 1341 P C 1.543 178.854 177.300 0.018 0.000 1.157 1341 P CA 1.898 65.016 63.100 0.029 0.000 0.868 1341 P CB -0.038 31.695 31.700 0.054 0.000 0.788 1342 E N -0.560 119.644 120.200 0.007 0.000 2.339 1342 E HA -0.179 4.174 4.350 0.004 0.000 0.201 1342 E C 1.859 178.459 176.600 0.001 0.000 1.015 1342 E CA 1.472 57.869 56.400 -0.006 0.000 0.841 1342 E CB -0.602 29.083 29.700 -0.026 0.000 0.754 1342 E HN 0.265 nan 8.360 nan 0.000 0.508 1343 A N 0.099 122.923 122.820 0.006 0.000 1.920 1343 A HA 0.013 4.335 4.320 0.004 0.000 0.209 1343 A C 2.382 179.992 177.584 0.044 0.000 1.229 1343 A CA 0.519 52.566 52.037 0.017 0.000 0.671 1343 A CB -0.320 18.675 19.000 -0.008 0.000 0.886 1343 A HN 0.124 nan 8.150 nan 0.000 0.461 1344 V N 0.125 120.051 119.914 0.020 0.000 2.233 1344 V HA -0.314 3.809 4.120 0.004 0.000 0.247 1344 V C 2.295 178.441 176.094 0.087 0.000 1.050 1344 V CA 2.398 64.721 62.300 0.038 0.000 1.010 1344 V CB -1.322 30.504 31.823 0.004 0.000 0.637 1344 V HN 0.638 nan 8.190 nan 0.000 0.444 1345 E N 0.275 120.502 120.200 0.044 0.000 2.068 1345 E HA -0.344 4.009 4.350 0.004 0.000 0.207 1345 E C 2.409 179.024 176.600 0.026 0.000 1.032 1345 E CA 2.170 58.585 56.400 0.025 0.000 0.839 1345 E CB -0.209 29.500 29.700 0.016 0.000 0.758 1345 E HN 0.393 nan 8.360 nan 0.000 0.457 1346 R N -0.306 120.216 120.500 0.036 0.000 2.152 1346 R HA -0.162 4.180 4.340 0.004 0.000 0.232 1346 R C 1.976 178.309 176.300 0.055 0.000 1.117 1346 R CA 1.377 57.494 56.100 0.028 0.000 0.981 1346 R CB -0.806 29.509 30.300 0.024 0.000 0.870 1346 R HN 0.365 nan 8.270 nan 0.000 0.451 1347 Y N -0.073 120.205 120.300 -0.037 0.000 2.109 1347 Y HA -0.145 4.407 4.550 0.004 0.000 0.285 1347 Y C 1.554 177.427 175.900 -0.045 0.000 1.131 1347 Y CA 1.718 59.797 58.100 -0.035 0.000 1.121 1347 Y CB -0.462 37.978 38.460 -0.033 0.000 0.987 1347 Y HN 0.020 nan 8.280 nan 0.000 0.495 1348 L N -0.378 120.890 121.223 0.075 0.000 1.978 1348 L HA -0.278 4.065 4.340 0.004 0.000 0.218 1348 L C 2.521 179.298 176.870 -0.155 0.000 1.075 1348 L CA 1.850 56.650 54.840 -0.068 0.000 0.767 1348 L CB -1.579 40.445 42.059 -0.058 0.000 0.890 1348 L HN 0.169 nan 8.230 nan 0.000 0.434 1349 V N -0.510 119.337 119.914 -0.112 0.000 2.215 1349 V HA -0.355 3.768 4.120 0.004 0.000 0.249 1349 V C 2.604 178.633 176.094 -0.108 0.000 1.054 1349 V CA 2.163 64.401 62.300 -0.104 0.000 1.012 1349 V CB -0.683 31.099 31.823 -0.068 0.000 0.639 1349 V HN 0.473 nan 8.190 nan 0.000 0.448 1350 E N 0.362 120.491 120.200 -0.119 0.000 2.058 1350 E HA -0.257 4.095 4.350 0.004 0.000 0.194 1350 E C 2.066 178.571 176.600 -0.158 0.000 0.997 1350 E CA 1.791 58.118 56.400 -0.122 0.000 0.801 1350 E CB -0.411 29.221 29.700 -0.114 0.000 0.746 1350 E HN 0.603 nan 8.360 nan 0.000 0.450 1351 E N -0.148 119.877 120.200 -0.291 0.000 2.204 1351 E HA -0.094 4.259 4.350 0.004 0.000 0.195 1351 E C 1.905 178.436 176.600 -0.116 0.000 0.990 1351 E CA 1.052 57.265 56.400 -0.312 0.000 0.821 1351 E CB -0.279 29.038 29.700 -0.638 0.000 0.750 1351 E HN 0.463 nan 8.360 nan 0.000 0.477 1352 I N 0.006 120.542 120.570 -0.056 0.000 2.277 1352 I HA -0.200 3.972 4.170 0.004 0.000 0.243 1352 I C 2.354 178.597 176.117 0.211 0.000 1.094 1352 I CA 0.677 62.045 61.300 0.114 0.000 1.393 1352 I CB -0.207 37.858 38.000 0.108 0.000 1.078 1352 I HN 0.121 nan 8.210 nan 0.000 0.417 1353 Q N 0.955 120.806 119.800 0.085 0.000 2.181 1353 Q HA -0.211 4.131 4.340 0.004 0.000 0.205 1353 Q C 2.137 178.211 176.000 0.124 0.000 0.980 1353 Q CA 1.193 57.049 55.803 0.089 0.000 0.862 1353 Q CB -0.209 28.519 28.738 -0.016 0.000 0.905 1353 Q HN 0.423 nan 8.270 nan 0.000 0.429 1354 K N 0.013 120.448 120.400 0.057 0.000 2.089 1354 K HA -0.157 4.166 4.320 0.004 0.000 0.210 1354 K C 2.121 178.758 176.600 0.061 0.000 1.048 1354 K CA 1.388 57.695 56.287 0.033 0.000 0.926 1354 K CB -0.369 32.124 32.500 -0.012 0.000 0.714 1354 K HN 0.123 nan 8.250 nan 0.000 0.448 1355 V N 0.074 120.043 119.914 0.091 0.000 2.323 1355 V HA -0.214 3.908 4.120 0.004 0.000 0.244 1355 V C 2.086 178.184 176.094 0.006 0.000 1.041 1355 V CA 1.521 63.828 62.300 0.011 0.000 1.025 1355 V CB -0.707 31.063 31.823 -0.089 0.000 0.656 1355 V HN 0.156 nan 8.190 nan 0.000 0.451 1356 Y N 0.770 121.082 120.300 0.020 0.000 2.242 1356 Y HA -0.122 4.430 4.550 0.004 0.000 0.291 1356 Y C 2.653 178.559 175.900 0.009 0.000 1.137 1356 Y CA 1.135 59.247 58.100 0.020 0.000 1.181 1356 Y CB -0.604 37.875 38.460 0.032 0.000 0.989 1356 Y HN 0.114 nan 8.280 nan 0.000 0.527 1357 R N 0.131 120.736 120.500 0.175 0.000 2.082 1357 R HA -0.191 4.152 4.340 0.004 0.000 0.234 1357 R C 2.492 178.825 176.300 0.055 0.000 1.136 1357 R CA 1.487 57.638 56.100 0.085 0.000 0.935 1357 R CB -0.879 29.451 30.300 0.050 0.000 0.842 1357 R HN 0.310 nan 8.270 nan 0.000 0.430 1358 A N 0.650 123.495 122.820 0.042 0.000 2.186 1358 A HA -0.151 4.172 4.320 0.004 0.000 0.219 1358 A C 1.677 179.269 177.584 0.015 0.000 1.159 1358 A CA 1.211 53.261 52.037 0.021 0.000 0.680 1358 A CB -0.084 18.922 19.000 0.010 0.000 0.787 1358 A HN 0.311 nan 8.150 nan 0.000 0.467 1359 Q N -2.393 117.418 119.800 0.019 0.000 2.217 1359 Q HA 0.238 4.581 4.340 0.004 0.000 0.217 1359 Q C 1.172 177.189 176.000 0.028 0.000 0.844 1359 Q CA 0.640 56.447 55.803 0.007 0.000 0.957 1359 Q CB 0.891 29.612 28.738 -0.029 0.000 1.127 1359 Q HN 0.874 nan 8.270 nan 0.000 0.503 1360 G N 0.563 109.389 108.800 0.043 0.000 2.232 1360 G HA2 -0.248 3.715 3.960 0.004 0.000 0.226 1360 G HA3 -0.248 3.715 3.960 0.004 0.000 0.226 1360 G C 0.354 175.289 174.900 0.058 0.000 0.996 1360 G CA 0.124 45.249 45.100 0.042 0.000 0.626 1360 G HN 0.197 nan 8.290 nan 0.000 0.509 1361 V N 1.228 121.201 119.914 0.097 0.000 2.655 1361 V HA 0.389 4.511 4.120 0.004 0.000 0.300 1361 V C 0.800 176.952 176.094 0.096 0.000 1.044 1361 V CA 0.642 63.020 62.300 0.130 0.000 1.095 1361 V CB 1.523 33.510 31.823 0.273 0.000 0.952 1361 V HN 0.297 nan 8.190 nan 0.000 0.485 1362 K N 4.988 125.417 120.400 0.049 0.000 2.540 1362 K HA 0.478 4.800 4.320 0.004 0.000 0.218 1362 K C -0.878 175.714 176.600 -0.013 0.000 1.017 1362 K CA -0.437 55.850 56.287 0.001 0.000 1.029 1362 K CB 0.846 33.329 32.500 -0.028 0.000 1.348 1362 K HN 0.656 nan 8.250 nan 0.000 0.508 1363 L N -0.518 120.688 121.223 -0.029 0.000 2.334 1363 L HA 0.551 4.893 4.340 0.004 0.000 0.276 1363 L C -0.091 176.749 176.870 -0.050 0.000 1.014 1363 L CA -0.787 54.051 54.840 -0.003 0.000 0.815 1363 L CB 1.235 43.285 42.059 -0.015 0.000 1.268 1363 L HN 0.344 nan 8.230 nan 0.000 0.428 1364 H N 2.112 121.092 119.070 -0.149 0.000 2.732 1364 H HA 0.074 4.632 4.556 0.004 0.000 0.351 1364 H C -0.088 175.037 175.328 -0.337 0.000 1.090 1364 H CA 0.340 56.214 56.048 -0.290 0.000 1.431 1364 H CB 1.336 30.846 29.762 -0.419 0.000 1.447 1364 H HN 0.880 nan 8.280 nan 0.000 0.582 1365 D N 4.642 124.921 120.400 -0.202 0.000 2.190 1365 D HA -0.176 4.466 4.640 0.004 0.000 0.200 1365 D C 1.795 178.117 176.300 0.036 0.000 0.992 1365 D CA 1.151 55.112 54.000 -0.065 0.000 0.854 1365 D CB 0.150 40.877 40.800 -0.123 0.000 0.936 1365 D HN 0.574 nan 8.370 nan 0.000 0.462 1366 K N 0.033 120.525 120.400 0.153 0.000 2.066 1366 K HA -0.268 4.054 4.320 0.004 0.000 0.221 1366 K C 2.031 178.611 176.600 -0.034 0.000 1.056 1366 K CA 1.782 57.949 56.287 -0.200 0.000 0.950 1366 K CB -0.530 31.537 32.500 -0.722 0.000 0.726 1366 K HN 0.373 nan 8.250 nan 0.000 0.456 1367 H N 0.606 119.713 119.070 0.061 0.000 2.267 1367 H HA -0.109 4.449 4.556 0.004 0.000 0.297 1367 H C 2.280 177.660 175.328 0.086 0.000 1.080 1367 H CA 1.721 57.824 56.048 0.091 0.000 1.278 1367 H CB -0.818 28.985 29.762 0.069 0.000 1.365 1367 H HN 0.252 nan 8.280 nan 0.000 0.489 1368 I N 0.733 121.408 120.570 0.174 0.000 2.700 1368 I HA -0.188 3.984 4.170 0.004 0.000 0.261 1368 I C 2.070 178.213 176.117 0.044 0.000 1.219 1368 I CA 1.091 62.455 61.300 0.106 0.000 1.463 1368 I CB -0.347 37.667 38.000 0.023 0.000 1.092 1368 I HN 0.242 nan 8.210 nan 0.000 0.452 1369 E N 1.239 121.471 120.200 0.052 0.000 2.033 1369 E HA -0.130 4.222 4.350 0.004 0.000 0.189 1369 E C 2.358 178.999 176.600 0.068 0.000 0.979 1369 E CA 0.886 57.307 56.400 0.036 0.000 0.802 1369 E CB 0.086 29.803 29.700 0.030 0.000 0.763 1369 E HN 0.286 nan 8.360 nan 0.000 0.449 1370 I N 1.188 121.828 120.570 0.117 0.000 2.113 1370 I HA -0.318 3.855 4.170 0.004 0.000 0.242 1370 I C 2.413 178.597 176.117 0.111 0.000 1.057 1370 I CA 1.383 62.765 61.300 0.136 0.000 1.314 1370 I CB -1.426 36.690 38.000 0.195 0.000 1.022 1370 I HN 0.042 nan 8.210 nan 0.000 0.408 1371 V N 0.534 120.526 119.914 0.130 0.000 2.220 1371 V HA -0.250 3.873 4.120 0.004 0.000 0.246 1371 V C 2.600 178.746 176.094 0.085 0.000 1.049 1371 V CA 1.882 64.269 62.300 0.144 0.000 1.003 1371 V CB -0.992 30.984 31.823 0.255 0.000 0.634 1371 V HN 0.331 nan 8.190 nan 0.000 0.444 1372 V N 1.192 121.111 119.914 0.009 0.000 2.453 1372 V HA -0.344 3.779 4.120 0.004 0.000 0.252 1372 V C 2.770 178.878 176.094 0.022 0.000 1.068 1372 V CA 2.793 65.069 62.300 -0.039 0.000 1.070 1372 V CB -0.687 31.078 31.823 -0.095 0.000 0.664 1372 V HN 0.695 nan 8.190 nan 0.000 0.461 1373 R N -0.648 119.876 120.500 0.039 0.000 2.080 1373 R HA -0.223 4.119 4.340 0.004 0.000 0.236 1373 R C 2.242 178.578 176.300 0.060 0.000 1.137 1373 R CA 2.180 58.306 56.100 0.044 0.000 0.943 1373 R CB -0.541 29.785 30.300 0.042 0.000 0.846 1373 R HN 0.475 nan 8.270 nan 0.000 0.431 1374 Q N 0.392 120.241 119.800 0.082 0.000 2.234 1374 Q HA -0.135 4.207 4.340 0.004 0.000 0.206 1374 Q C 2.101 178.242 176.000 0.236 0.000 0.980 1374 Q CA 1.592 57.474 55.803 0.130 0.000 0.869 1374 Q CB -0.218 28.602 28.738 0.136 0.000 0.912 1374 Q HN 0.546 nan 8.270 nan 0.000 0.436 1375 M N -1.168 118.535 119.600 0.171 0.000 2.279 1375 M HA -0.105 4.377 4.480 0.004 0.000 0.264 1375 M C 0.838 177.279 176.300 0.234 0.000 1.062 1375 M CA 1.133 56.539 55.300 0.177 0.000 1.099 1375 M CB -0.014 32.637 32.600 0.085 0.000 1.394 1375 M HN 0.094 nan 8.290 nan 0.000 0.426 1376 M N -0.668 119.050 119.600 0.197 0.000 2.963 1376 M HA 0.109 4.591 4.480 0.004 0.000 0.350 1376 M C 0.914 177.279 176.300 0.107 0.000 1.253 1376 M CA -0.041 55.372 55.300 0.189 0.000 0.856 1376 M CB 0.505 33.177 32.600 0.120 0.000 1.356 1376 M HN -0.040 nan 8.290 nan 0.000 0.510 1377 K N 0.280 120.698 120.400 0.029 0.000 2.476 1377 K HA 0.094 4.416 4.320 0.004 0.000 0.196 1377 K C -1.091 175.104 176.600 -0.675 0.000 1.025 1377 K CA 0.505 56.541 56.287 -0.419 0.000 1.138 1377 K CB 0.398 32.536 32.500 -0.604 0.000 0.860 1377 K HN 0.252 nan 8.250 nan 0.000 0.515 1378 Y N -0.653 119.688 120.300 0.069 0.000 2.576 1378 Y HA 0.485 5.038 4.550 0.004 0.000 0.346 1378 Y C -0.367 175.605 175.900 0.121 0.000 1.018 1378 Y CA -1.334 56.820 58.100 0.090 0.000 1.050 1378 Y CB 2.094 40.608 38.460 0.090 0.000 1.280 1378 Y HN -0.118 nan 8.280 nan 0.000 0.474 1379 V N -2.071 118.021 119.914 0.298 0.000 3.204 1379 V HA 0.610 4.733 4.120 0.004 0.000 0.298 1379 V C -1.108 175.132 176.094 0.243 0.000 1.328 1379 V CA -1.215 61.244 62.300 0.265 0.000 1.035 1379 V CB 1.841 33.822 31.823 0.264 0.000 1.095 1379 V HN 0.839 nan 8.190 nan 0.000 0.442 1380 E N 0.773 121.092 120.200 0.197 0.000 2.280 1380 E HA 0.722 5.074 4.350 0.004 0.000 0.264 1380 E C -1.279 175.345 176.600 0.040 0.000 1.064 1380 E CA -0.745 55.729 56.400 0.122 0.000 0.900 1380 E CB 2.032 31.786 29.700 0.090 0.000 1.123 1380 E HN 0.730 nan 8.360 nan 0.000 0.418 1381 V N 2.555 122.451 119.914 -0.029 0.000 2.459 1381 V HA 0.253 4.375 4.120 0.004 0.000 0.295 1381 V C 0.536 176.586 176.094 -0.074 0.000 1.029 1381 V CA -0.292 61.920 62.300 -0.147 0.000 0.874 1381 V CB 1.387 33.061 31.823 -0.248 0.000 0.985 1381 V HN 0.983 nan 8.190 nan 0.000 0.438 1382 T N -1.291 113.214 114.554 -0.083 0.000 2.958 1382 T HA 0.219 4.572 4.350 0.004 0.000 0.256 1382 T C 0.115 174.780 174.700 -0.059 0.000 0.983 1382 T CA 0.022 62.086 62.100 -0.059 0.000 0.924 1382 T CB 0.432 69.263 68.868 -0.062 0.000 1.136 1382 T HN 0.506 nan 8.240 nan 0.000 0.506 1383 D N 2.616 122.972 120.400 -0.074 0.000 2.346 1383 D HA 0.417 5.060 4.640 0.004 0.000 0.255 1383 D C -2.926 173.344 176.300 -0.050 0.000 1.276 1383 D CA -1.982 51.986 54.000 -0.052 0.000 0.941 1383 D CB 1.985 42.756 40.800 -0.048 0.000 1.199 1383 D HN 0.049 nan 8.370 nan 0.000 0.537 1384 P HA 0.333 nan 4.420 nan 0.000 0.271 1384 P C 0.408 177.729 177.300 0.035 0.000 1.244 1384 P CA -0.067 63.037 63.100 0.006 0.000 0.793 1384 P CB 1.354 33.073 31.700 0.032 0.000 0.984 1385 G N -0.723 108.122 108.800 0.075 0.000 2.704 1385 G HA2 -0.035 3.927 3.960 0.004 0.000 0.151 1385 G HA3 -0.035 3.927 3.960 0.004 0.000 0.151 1385 G C 0.817 175.778 174.900 0.102 0.000 1.372 1385 G CA 0.324 45.477 45.100 0.088 0.000 0.765 1385 G HN 0.502 nan 8.290 nan 0.000 0.680 1386 D N 0.476 120.962 120.400 0.144 0.000 2.110 1386 D HA 0.153 4.795 4.640 0.004 0.000 0.202 1386 D C 0.485 176.858 176.300 0.122 0.000 0.975 1386 D CA 0.942 55.018 54.000 0.126 0.000 0.839 1386 D CB 0.429 41.310 40.800 0.135 0.000 0.996 1386 D HN 0.165 nan 8.370 nan 0.000 0.464 1387 S N -0.038 115.764 115.700 0.170 0.000 2.568 1387 S HA 0.460 4.932 4.470 0.004 0.000 0.293 1387 S C -0.702 173.982 174.600 0.140 0.000 1.089 1387 S CA -0.819 57.469 58.200 0.148 0.000 0.945 1387 S CB 2.194 65.492 63.200 0.163 0.000 1.077 1387 S HN 0.077 nan 8.310 nan 0.000 0.485 1388 R N 1.662 122.224 120.500 0.105 0.000 2.678 1388 R HA -0.013 4.329 4.340 0.004 0.000 0.264 1388 R C 1.362 177.710 176.300 0.080 0.000 0.995 1388 R CA -0.234 55.915 56.100 0.082 0.000 1.098 1388 R CB -0.796 29.546 30.300 0.071 0.000 0.949 1388 R HN 0.673 nan 8.270 nan 0.000 0.422 1389 L N 3.150 124.404 121.223 0.050 0.000 1.952 1389 L HA -0.155 4.187 4.340 0.004 0.000 0.236 1389 L C 0.692 177.583 176.870 0.034 0.000 1.092 1389 L CA 1.667 56.521 54.840 0.024 0.000 0.817 1389 L CB -1.042 41.025 42.059 0.014 0.000 0.907 1389 L HN 0.503 nan 8.230 nan 0.000 0.438 1390 L N 1.906 123.153 121.223 0.039 0.000 2.745 1390 L HA 0.088 4.430 4.340 0.004 0.000 0.273 1390 L C 0.072 176.985 176.870 0.073 0.000 1.156 1390 L CA 0.767 55.635 54.840 0.046 0.000 0.982 1390 L CB -0.913 41.170 42.059 0.039 0.000 1.295 1390 L HN 0.576 nan 8.230 nan 0.000 0.483 1391 E N 1.976 122.232 120.200 0.094 0.000 2.378 1391 E HA 0.305 4.658 4.350 0.004 0.000 0.283 1391 E C -0.629 176.079 176.600 0.180 0.000 0.979 1391 E CA -0.590 55.898 56.400 0.146 0.000 0.795 1391 E CB 2.317 32.147 29.700 0.216 0.000 1.221 1391 E HN 0.576 nan 8.360 nan 0.000 0.428 1392 G N 2.488 111.397 108.800 0.181 0.000 2.468 1392 G HA2 0.431 4.394 3.960 0.004 0.000 0.320 1392 G HA3 0.431 4.394 3.960 0.004 0.000 0.320 1392 G C -0.444 174.621 174.900 0.276 0.000 1.137 1392 G CA -0.105 45.121 45.100 0.209 0.000 0.984 1392 G HN 0.189 nan 8.290 nan 0.000 0.462 1393 Q N 0.916 120.969 119.800 0.420 0.000 2.484 1393 Q HA 0.375 4.717 4.340 0.004 0.000 0.285 1393 Q C -0.565 175.612 176.000 0.295 0.000 1.097 1393 Q CA -1.060 54.952 55.803 0.348 0.000 0.802 1393 Q CB 3.028 31.935 28.738 0.281 0.000 1.444 1393 Q HN 0.293 nan 8.270 nan 0.000 0.429 1394 V N 2.810 122.740 119.914 0.026 0.000 2.475 1394 V HA -0.143 3.980 4.120 0.004 0.000 0.292 1394 V C 1.706 177.684 176.094 -0.195 0.000 1.003 1394 V CA 0.699 62.915 62.300 -0.141 0.000 1.120 1394 V CB -0.188 31.509 31.823 -0.209 0.000 0.937 1394 V HN 0.773 nan 8.190 nan 0.000 0.476 1395 L N 4.245 125.393 121.223 -0.125 0.000 1.976 1395 L HA -0.200 4.143 4.340 0.004 0.000 0.223 1395 L C 2.440 179.162 176.870 -0.247 0.000 1.081 1395 L CA 2.244 56.985 54.840 -0.165 0.000 0.784 1395 L CB -0.267 41.683 42.059 -0.182 0.000 0.896 1395 L HN 0.798 nan 8.230 nan 0.000 0.438 1396 E N 0.004 120.037 120.200 -0.278 0.000 2.110 1396 E HA -0.301 4.051 4.350 0.004 0.000 0.193 1396 E C 2.175 178.597 176.600 -0.296 0.000 0.988 1396 E CA 1.427 57.659 56.400 -0.280 0.000 0.804 1396 E CB -0.075 29.428 29.700 -0.328 0.000 0.745 1396 E HN 0.509 nan 8.360 nan 0.000 0.458 1397 K N -0.859 119.310 120.400 -0.385 0.000 2.360 1397 K HA -0.143 4.179 4.320 0.004 0.000 0.201 1397 K C 1.718 178.039 176.600 -0.465 0.000 1.046 1397 K CA 0.931 56.953 56.287 -0.442 0.000 0.945 1397 K CB -0.090 32.081 32.500 -0.547 0.000 0.750 1397 K HN 0.175 nan 8.250 nan 0.000 0.464 1398 W N 0.454 121.601 121.300 -0.254 0.000 2.494 1398 W HA -0.041 4.622 4.660 0.005 0.000 0.286 1398 W C 1.727 178.093 176.519 -0.254 0.000 1.218 1398 W CA -0.295 56.889 57.345 -0.270 0.000 1.313 1398 W CB 0.132 29.320 29.460 -0.453 0.000 1.105 1398 W HN 0.031 nan 8.180 nan 0.000 0.561 1399 D N 0.272 120.627 120.400 -0.074 0.000 2.218 1399 D HA -0.150 4.493 4.640 0.004 0.000 0.204 1399 D C 2.119 178.399 176.300 -0.032 0.000 0.976 1399 D CA 1.188 55.146 54.000 -0.070 0.000 0.853 1399 D CB -0.223 40.512 40.800 -0.109 0.000 0.939 1399 D HN -0.002 nan 8.370 nan 0.000 0.481 1400 V N 0.831 120.704 119.914 -0.067 0.000 2.255 1400 V HA -0.153 3.969 4.120 0.004 0.000 0.243 1400 V C 2.457 178.545 176.094 -0.011 0.000 1.038 1400 V CA 1.369 63.633 62.300 -0.061 0.000 1.008 1400 V CB -0.486 31.270 31.823 -0.113 0.000 0.645 1400 V HN 0.148 nan 8.190 nan 0.000 0.449 1401 E N 1.169 121.379 120.200 0.016 0.000 2.021 1401 E HA -0.288 4.065 4.350 0.004 0.000 0.200 1401 E C 2.256 178.923 176.600 0.111 0.000 1.015 1401 E CA 2.159 58.611 56.400 0.087 0.000 0.824 1401 E CB -0.394 29.437 29.700 0.218 0.000 0.762 1401 E HN 0.469 nan 8.360 nan 0.000 0.454 1402 A N 1.407 124.313 122.820 0.144 0.000 1.933 1402 A HA -0.148 4.175 4.320 0.004 0.000 0.218 1402 A C 2.576 180.212 177.584 0.086 0.000 1.175 1402 A CA 1.352 53.467 52.037 0.130 0.000 0.628 1402 A CB -0.780 18.322 19.000 0.169 0.000 0.814 1402 A HN 0.362 nan 8.150 nan 0.000 0.444 1403 L N -0.693 120.568 121.223 0.063 0.000 1.989 1403 L HA -0.230 4.112 4.340 0.004 0.000 0.211 1403 L C 2.182 179.072 176.870 0.034 0.000 1.071 1403 L CA 1.879 56.744 54.840 0.041 0.000 0.749 1403 L CB -0.360 41.709 42.059 0.018 0.000 0.890 1403 L HN 0.378 nan 8.230 nan 0.000 0.431 1404 N N -0.805 117.912 118.700 0.029 0.000 2.457 1404 N HA -0.155 4.588 4.740 0.004 0.000 0.180 1404 N C 1.518 177.048 175.510 0.033 0.000 1.050 1404 N CA 0.452 53.516 53.050 0.024 0.000 0.906 1404 N CB 0.150 38.646 38.487 0.015 0.000 0.968 1404 N HN 0.260 nan 8.380 nan 0.000 0.445 1405 E N 0.204 120.432 120.200 0.046 0.000 2.299 1405 E HA 0.008 4.361 4.350 0.004 0.000 0.193 1405 E C 1.832 178.458 176.600 0.044 0.000 0.998 1405 E CA 0.668 57.099 56.400 0.050 0.000 0.851 1405 E CB 0.247 29.989 29.700 0.070 0.000 0.795 1405 E HN 0.176 nan 8.360 nan 0.000 0.492 1406 R N -0.699 119.827 120.500 0.043 0.000 2.191 1406 R HA 0.083 4.425 4.340 0.004 0.000 0.196 1406 R C 1.352 177.669 176.300 0.029 0.000 0.991 1406 R CA 0.302 56.425 56.100 0.037 0.000 1.075 1406 R CB 0.016 30.342 30.300 0.043 0.000 1.040 1406 R HN 0.185 nan 8.270 nan 0.000 0.526 1407 L N 0.828 122.067 121.223 0.028 0.000 2.115 1407 L HA 0.122 4.464 4.340 0.004 0.000 0.200 1407 L C 2.347 179.228 176.870 0.018 0.000 1.094 1407 L CA 1.316 56.169 54.840 0.021 0.000 0.769 1407 L CB -0.516 41.555 42.059 0.020 0.000 0.931 1407 L HN 0.067 nan 8.230 nan 0.000 0.455 1408 I N -0.666 119.915 120.570 0.017 0.000 2.130 1408 I HA -0.081 4.092 4.170 0.004 0.000 0.234 1408 I C 1.110 177.237 176.117 0.016 0.000 1.067 1408 I CA 0.587 61.896 61.300 0.015 0.000 1.339 1408 I CB -0.357 37.651 38.000 0.012 0.000 1.073 1408 I HN 0.129 nan 8.210 nan 0.000 0.405 1409 A N 1.228 124.060 122.820 0.019 0.000 2.301 1409 A HA 0.324 4.646 4.320 0.004 0.000 0.298 1409 A C -0.083 177.515 177.584 0.023 0.000 1.185 1409 A CA -0.415 51.634 52.037 0.020 0.000 0.830 1409 A CB 0.146 19.160 19.000 0.022 0.000 1.112 1409 A HN 0.305 nan 8.150 nan 0.000 0.508 1410 E N 1.002 121.214 120.200 0.020 0.000 2.816 1410 E HA 0.497 4.849 4.350 0.004 0.000 0.260 1410 E C 0.573 177.187 176.600 0.023 0.000 1.414 1410 E CA 0.519 56.931 56.400 0.021 0.000 1.074 1410 E CB 0.283 29.993 29.700 0.017 0.000 1.123 1410 E HN 1.508 nan 8.360 nan 0.000 0.664 1411 G N 1.031 109.844 108.800 0.022 0.000 2.929 1411 G HA2 -0.234 3.728 3.960 0.004 0.000 0.335 1411 G HA3 -0.234 3.728 3.960 0.004 0.000 0.335 1411 G C -0.577 174.339 174.900 0.027 0.000 1.054 1411 G CA -0.502 44.612 45.100 0.023 0.000 1.067 1411 G HN 0.224 nan 8.290 nan 0.000 0.472 1412 K N 1.814 122.228 120.400 0.024 0.000 2.110 1412 K HA 0.238 4.560 4.320 0.004 0.000 0.260 1412 K C 0.453 177.070 176.600 0.028 0.000 1.126 1412 K CA 0.070 56.373 56.287 0.028 0.000 1.005 1412 K CB -0.016 32.497 32.500 0.023 0.000 1.336 1412 K HN 0.372 nan 8.250 nan 0.000 0.369 1413 T N 5.969 120.545 114.554 0.037 0.000 3.364 1413 T HA 0.181 4.533 4.350 0.004 0.000 0.323 1413 T C -2.443 172.283 174.700 0.044 0.000 1.323 1413 T CA -1.534 60.588 62.100 0.037 0.000 1.073 1413 T CB 0.377 69.271 68.868 0.043 0.000 1.150 1413 T HN 0.305 nan 8.240 nan 0.000 0.727 1414 P HA 0.058 nan 4.420 nan 0.000 0.261 1414 P C -0.055 177.268 177.300 0.039 0.000 1.183 1414 P CA -0.290 62.835 63.100 0.040 0.000 0.761 1414 P CB 0.195 31.904 31.700 0.014 0.000 0.785 1415 V N 0.753 120.713 119.914 0.076 0.000 2.258 1415 V HA 0.595 4.718 4.120 0.004 0.000 0.258 1415 V C 0.489 176.628 176.094 0.076 0.000 1.121 1415 V CA -1.273 61.050 62.300 0.037 0.000 0.942 1415 V CB -0.161 31.686 31.823 0.041 0.000 1.170 1415 V HN 0.574 nan 8.190 nan 0.000 0.487 1416 A N 6.428 129.238 122.820 -0.017 0.000 2.451 1416 A HA 0.610 4.932 4.320 0.004 0.000 0.266 1416 A C -0.213 177.334 177.584 -0.061 0.000 1.119 1416 A CA -0.371 51.618 52.037 -0.080 0.000 0.786 1416 A CB -0.121 18.810 19.000 -0.114 0.000 1.061 1416 A HN 1.290 nan 8.150 nan 0.000 0.503 1417 W N 2.173 123.341 121.300 -0.219 0.000 2.958 1417 W HA 0.807 5.469 4.660 0.005 0.000 0.339 1417 W C -0.867 175.575 176.519 -0.128 0.000 1.174 1417 W CA -1.105 56.095 57.345 -0.243 0.000 1.064 1417 W CB 1.186 30.436 29.460 -0.350 0.000 1.471 1417 W HN 0.437 nan 8.180 nan 0.000 0.599 1418 K N 1.621 122.072 120.400 0.086 0.000 2.507 1418 K HA 0.360 4.682 4.320 0.004 0.000 0.252 1418 K C -2.645 174.083 176.600 0.214 0.000 0.943 1418 K CA -1.832 54.464 56.287 0.014 0.000 0.808 1418 K CB 2.154 34.661 32.500 0.011 0.000 1.142 1418 K HN 0.057 nan 8.250 nan 0.000 0.426 1419 P HA 0.005 nan 4.420 nan 0.000 0.265 1419 P C -1.011 176.402 177.300 0.188 0.000 1.193 1419 P CA 0.108 63.358 63.100 0.249 0.000 0.765 1419 P CB 0.530 32.332 31.700 0.170 0.000 0.823 1420 L N 3.533 124.882 121.223 0.210 0.000 2.362 1420 L HA 0.480 4.823 4.340 0.004 0.000 0.275 1420 L C -0.619 176.370 176.870 0.198 0.000 0.998 1420 L CA -1.126 53.827 54.840 0.187 0.000 0.820 1420 L CB 1.737 43.910 42.059 0.189 0.000 1.270 1420 L HN 0.216 nan 8.230 nan 0.000 0.415 1421 L N 5.113 126.461 121.223 0.209 0.000 2.272 1421 L HA 0.592 4.934 4.340 0.004 0.000 0.289 1421 L C -0.838 176.173 176.870 0.235 0.000 1.032 1421 L CA 0.253 55.213 54.840 0.200 0.000 0.810 1421 L CB 0.936 43.087 42.059 0.153 0.000 1.205 1421 L HN 0.540 nan 8.230 nan 0.000 0.422 1422 M N 3.634 123.335 119.600 0.169 0.000 2.530 1422 M HA 0.497 4.979 4.480 0.004 0.000 0.307 1422 M C 0.253 176.613 176.300 0.099 0.000 1.161 1422 M CA -0.611 54.763 55.300 0.123 0.000 0.903 1422 M CB 2.064 34.678 32.600 0.024 0.000 1.711 1422 M HN 0.772 nan 8.290 nan 0.000 0.451 1423 G N 0.640 109.494 108.800 0.091 0.000 2.476 1423 G HA2 0.366 4.328 3.960 0.004 0.000 0.269 1423 G HA3 0.366 4.328 3.960 0.004 0.000 0.269 1423 G C 0.836 175.793 174.900 0.096 0.000 1.195 1423 G CA -0.535 44.622 45.100 0.095 0.000 0.843 1423 G HN 0.670 nan 8.290 nan 0.000 0.545 1424 V N 1.910 121.905 119.914 0.135 0.000 2.313 1424 V HA -0.250 3.872 4.120 0.004 0.000 0.253 1424 V C 2.674 178.818 176.094 0.083 0.000 1.070 1424 V CA 3.311 65.695 62.300 0.139 0.000 1.057 1424 V CB -0.771 31.187 31.823 0.224 0.000 0.653 1424 V HN 0.806 nan 8.190 nan 0.000 0.450 1425 T N -0.384 114.210 114.554 0.066 0.000 2.737 1425 T HA -0.164 4.188 4.350 0.004 0.000 0.265 1425 T C 1.910 176.663 174.700 0.088 0.000 1.038 1425 T CA 1.867 64.010 62.100 0.073 0.000 1.144 1425 T CB -0.267 68.647 68.868 0.077 0.000 0.866 1425 T HN 0.528 nan 8.240 nan 0.000 0.434 1426 K N 0.894 121.324 120.400 0.050 0.000 2.211 1426 K HA 0.012 4.334 4.320 0.004 0.000 0.203 1426 K C 2.686 179.229 176.600 -0.095 0.000 1.050 1426 K CA 0.863 57.145 56.287 -0.008 0.000 0.945 1426 K CB -0.181 32.312 32.500 -0.013 0.000 0.732 1426 K HN 0.217 nan 8.250 nan 0.000 0.451 1427 S N 0.726 116.372 115.700 -0.089 0.000 2.383 1427 S HA -0.104 4.369 4.470 0.004 0.000 0.227 1427 S C 2.011 176.585 174.600 -0.044 0.000 1.026 1427 S CA 1.134 59.224 58.200 -0.184 0.000 0.981 1427 S CB -0.024 63.207 63.200 0.052 0.000 0.818 1427 S HN 0.342 nan 8.310 nan 0.000 0.472 1428 A N 1.223 124.066 122.820 0.038 0.000 1.872 1428 A HA 0.145 4.468 4.320 0.004 0.000 0.214 1428 A C 2.075 179.689 177.584 0.050 0.000 1.187 1428 A CA 1.231 53.318 52.037 0.083 0.000 0.614 1428 A CB -0.856 18.221 19.000 0.129 0.000 0.826 1428 A HN 0.498 nan 8.150 nan 0.000 0.442 1429 L N 0.661 121.902 121.223 0.030 0.000 1.990 1429 L HA -0.120 4.223 4.340 0.004 0.000 0.213 1429 L C 1.735 178.554 176.870 -0.086 0.000 1.072 1429 L CA 2.254 57.070 54.840 -0.041 0.000 0.755 1429 L CB -0.575 41.451 42.059 -0.055 0.000 0.889 1429 L HN 0.499 nan 8.230 nan 0.000 0.432 1430 S N -1.955 113.682 115.700 -0.105 0.000 2.505 1430 S HA 0.517 4.990 4.470 0.004 0.000 0.280 1430 S C -0.085 174.457 174.600 -0.096 0.000 1.197 1430 S CA -0.391 57.737 58.200 -0.120 0.000 1.138 1430 S CB 1.042 64.150 63.200 -0.154 0.000 1.010 1430 S HN 0.288 nan 8.310 nan 0.000 0.480 1431 T N 1.559 116.117 114.554 0.007 0.000 2.676 1431 T HA 0.489 4.841 4.350 0.004 0.000 0.269 1431 T C 0.831 175.588 174.700 0.094 0.000 0.952 1431 T CA -0.561 61.608 62.100 0.115 0.000 1.040 1431 T CB 1.538 70.462 68.868 0.093 0.000 1.352 1431 T HN 0.541 nan 8.240 nan 0.000 0.554 1432 K N 0.785 121.233 120.400 0.080 0.000 1.992 1432 K HA 0.180 4.502 4.320 0.004 0.000 0.210 1432 K C 1.009 177.632 176.600 0.038 0.000 1.036 1432 K CA 1.043 57.364 56.287 0.056 0.000 0.946 1432 K CB -0.629 31.897 32.500 0.044 0.000 0.742 1432 K HN 0.691 nan 8.250 nan 0.000 0.442 1433 S N -0.367 115.316 115.700 -0.028 0.000 2.569 1433 S HA -0.070 4.403 4.470 0.004 0.000 0.274 1433 S C 0.793 175.379 174.600 -0.023 0.000 1.353 1433 S CA 0.180 58.333 58.200 -0.077 0.000 1.023 1433 S CB 0.193 63.265 63.200 -0.213 0.000 0.876 1433 S HN 0.625 nan 8.310 nan 0.000 0.540 1434 W N 1.687 122.949 121.300 -0.064 0.000 2.683 1434 W HA 0.321 4.983 4.660 0.003 0.000 0.267 1434 W C 1.219 177.649 176.519 -0.149 0.000 1.243 1434 W CA -0.358 56.931 57.345 -0.093 0.000 1.380 1434 W CB -0.796 28.622 29.460 -0.069 0.000 1.063 1434 W HN 0.484 nan 8.180 nan 0.000 0.599 1435 L N 1.794 122.327 121.223 -1.152 0.000 2.064 1435 L HA -0.302 4.041 4.340 0.004 0.000 0.216 1435 L C 2.953 179.543 176.870 -0.466 0.000 1.077 1435 L CA 2.500 56.826 54.840 -0.857 0.000 0.766 1435 L CB -1.666 39.910 42.059 -0.804 0.000 0.890 1435 L HN 0.359 nan 8.230 nan 0.000 0.435 1436 S N -1.489 114.014 115.700 -0.328 0.000 2.368 1436 S HA -0.153 4.319 4.470 0.004 0.000 0.225 1436 S C 2.109 176.630 174.600 -0.132 0.000 1.030 1436 S CA 1.169 59.251 58.200 -0.195 0.000 0.999 1436 S CB -0.218 62.953 63.200 -0.048 0.000 0.844 1436 S HN 0.488 nan 8.310 nan 0.000 0.459 1437 A N 1.196 123.955 122.820 -0.101 0.000 1.930 1437 A HA 0.294 4.617 4.320 0.004 0.000 0.217 1437 A C 2.402 179.920 177.584 -0.109 0.000 1.175 1437 A CA 1.610 53.608 52.037 -0.064 0.000 0.627 1437 A CB -1.248 17.730 19.000 -0.037 0.000 0.815 1437 A HN 0.771 nan 8.150 nan 0.000 0.443 1438 A N -0.311 122.397 122.820 -0.186 0.000 2.076 1438 A HA -0.043 4.280 4.320 0.004 0.000 0.220 1438 A C 2.331 179.727 177.584 -0.313 0.000 1.160 1438 A CA 1.925 53.761 52.037 -0.335 0.000 0.653 1438 A CB -0.620 17.870 19.000 -0.850 0.000 0.801 1438 A HN 0.461 nan 8.150 nan 0.000 0.455 1439 S N -1.600 113.963 115.700 -0.228 0.000 2.357 1439 S HA 0.023 4.495 4.470 0.004 0.000 0.221 1439 S C 1.548 176.221 174.600 0.121 0.000 1.031 1439 S CA 1.345 59.510 58.200 -0.057 0.000 0.982 1439 S CB -0.337 62.816 63.200 -0.078 0.000 0.853 1439 S HN 0.735 nan 8.310 nan 0.000 0.458 1440 F N 1.084 121.018 119.950 -0.026 0.000 2.468 1440 F HA 0.244 4.774 4.527 0.004 0.000 0.250 1440 F C 2.278 178.102 175.800 0.041 0.000 0.990 1440 F CA -0.033 57.981 58.000 0.023 0.000 1.043 1440 F CB -0.758 38.245 39.000 0.005 0.000 1.184 1440 F HN -0.008 nan 8.300 nan 0.000 0.690 1441 Q N 1.320 120.517 119.800 -1.006 0.000 1.131 1441 Q HA -0.306 4.036 4.340 0.004 0.000 0.728 1441 Q C -0.318 175.374 176.000 -0.514 0.000 0.949 1441 Q CA 1.743 56.930 55.803 -1.026 0.000 0.850 1441 Q CB -0.830 27.615 28.738 -0.490 0.000 0.916 1441 Q HN 0.411 nan 8.270 nan 0.000 0.288 1442 N N 0.044 118.580 118.700 -0.274 0.000 2.569 1442 N HA 0.075 4.817 4.740 0.004 0.000 0.254 1442 N C 0.427 175.877 175.510 -0.101 0.000 1.004 1442 N CA 0.686 53.646 53.050 -0.149 0.000 0.904 1442 N CB 1.153 39.581 38.487 -0.099 0.000 1.165 1442 N HN 0.513 nan 8.380 nan 0.000 0.513 1443 T N 0.092 114.635 114.554 -0.018 0.000 2.685 1443 T HA -0.216 4.136 4.350 0.004 0.000 0.268 1443 T C 1.542 176.175 174.700 -0.113 0.000 1.034 1443 T CA 2.116 64.270 62.100 0.090 0.000 1.149 1443 T CB -0.531 68.543 68.868 0.342 0.000 0.860 1443 T HN 0.406 nan 8.240 nan 0.000 0.449 1444 T N 0.546 114.903 114.554 -0.329 0.000 2.665 1444 T HA -0.167 4.185 4.350 0.004 0.000 0.268 1444 T C 1.675 175.917 174.700 -0.762 0.000 1.035 1444 T CA 1.853 63.359 62.100 -0.990 0.000 1.151 1444 T CB -0.645 67.772 68.868 -0.752 0.000 0.862 1444 T HN 0.789 nan 8.240 nan 0.000 0.438 1445 H N 0.111 118.919 119.070 -0.435 0.000 2.294 1445 H HA -0.010 4.548 4.556 0.004 0.000 0.306 1445 H C 2.340 177.557 175.328 -0.185 0.000 1.065 1445 H CA 0.963 56.851 56.048 -0.267 0.000 1.343 1445 H CB -0.110 29.547 29.762 -0.175 0.000 1.396 1445 H HN 0.052 nan 8.280 nan 0.000 0.506 1446 V N 1.055 120.906 119.914 -0.105 0.000 2.252 1446 V HA -0.341 3.782 4.120 0.004 0.000 0.255 1446 V C 2.577 178.644 176.094 -0.045 0.000 1.071 1446 V CA 1.975 64.205 62.300 -0.117 0.000 1.050 1446 V CB -0.613 31.175 31.823 -0.059 0.000 0.654 1446 V HN 0.327 nan 8.190 nan 0.000 0.448 1447 L N -0.737 120.464 121.223 -0.037 0.000 2.072 1447 L HA -0.091 4.251 4.340 0.004 0.000 0.205 1447 L C 2.523 179.416 176.870 0.038 0.000 1.079 1447 L CA 2.211 57.038 54.840 -0.022 0.000 0.752 1447 L CB -1.380 40.788 42.059 0.181 0.000 0.906 1447 L HN 0.316 nan 8.230 nan 0.000 0.436 1448 T N -0.584 114.029 114.554 0.098 0.000 2.493 1448 T HA -0.360 3.992 4.350 0.004 0.000 0.256 1448 T C 1.798 176.578 174.700 0.133 0.000 1.195 1448 T CA 2.159 64.441 62.100 0.304 0.000 1.183 1448 T CB -0.321 68.708 68.868 0.269 0.000 0.863 1448 T HN 0.325 nan 8.240 nan 0.000 0.418 1449 E N 0.484 120.723 120.200 0.065 0.000 2.033 1449 E HA -0.155 4.198 4.350 0.004 0.000 0.199 1449 E C 2.427 178.959 176.600 -0.113 0.000 1.011 1449 E CA 1.254 57.632 56.400 -0.037 0.000 0.815 1449 E CB -0.413 29.283 29.700 -0.007 0.000 0.755 1449 E HN 0.472 nan 8.360 nan 0.000 0.451 1450 A N 0.576 123.329 122.820 -0.111 0.000 2.032 1450 A HA -0.230 4.092 4.320 0.004 0.000 0.221 1450 A C 2.219 179.643 177.584 -0.266 0.000 1.165 1450 A CA 2.083 54.009 52.037 -0.185 0.000 0.645 1450 A CB -0.756 18.067 19.000 -0.295 0.000 0.807 1450 A HN 0.392 nan 8.150 nan 0.000 0.453 1451 A N -0.162 122.538 122.820 -0.200 0.000 1.835 1451 A HA 0.075 4.397 4.320 0.004 0.000 0.213 1451 A C 1.982 179.480 177.584 -0.143 0.000 1.210 1451 A CA 1.162 53.121 52.037 -0.130 0.000 0.605 1451 A CB -0.711 18.315 19.000 0.043 0.000 0.860 1451 A HN 0.404 nan 8.150 nan 0.000 0.447 1452 I N 0.524 120.950 120.570 -0.240 0.000 2.151 1452 I HA -0.340 3.833 4.170 0.004 0.000 0.236 1452 I C 1.696 177.482 176.117 -0.552 0.000 1.000 1452 I CA 1.577 62.533 61.300 -0.572 0.000 1.285 1452 I CB -0.312 37.198 38.000 -0.816 0.000 0.994 1452 I HN 0.308 nan 8.210 nan 0.000 0.396 1453 A N 1.336 123.904 122.820 -0.420 0.000 2.437 1453 A HA 0.470 4.793 4.320 0.004 0.000 0.303 1453 A C 0.774 178.281 177.584 -0.129 0.000 1.324 1453 A CA 0.030 51.915 52.037 -0.253 0.000 0.983 1453 A CB -0.768 18.114 19.000 -0.195 0.000 1.142 1453 A HN 0.463 nan 8.150 nan 0.000 0.541 1454 G N 3.163 111.925 108.800 -0.064 0.000 2.198 1454 G HA2 0.075 4.038 3.960 0.004 0.000 0.280 1454 G HA3 0.075 4.038 3.960 0.004 0.000 0.280 1454 G C 0.169 175.071 174.900 0.003 0.000 0.954 1454 G CA 0.064 45.154 45.100 -0.017 0.000 1.281 1454 G HN 0.593 nan 8.290 nan 0.000 0.373 1455 K N 2.355 122.750 120.400 -0.009 0.000 2.234 1455 K HA 0.193 4.515 4.320 0.004 0.000 0.277 1455 K C 0.107 176.860 176.600 0.255 0.000 1.038 1455 K CA -0.483 55.867 56.287 0.105 0.000 0.888 1455 K CB 1.558 34.141 32.500 0.140 0.000 1.091 1455 K HN 0.350 nan 8.250 nan 0.000 0.467 1456 K N 2.318 122.844 120.400 0.210 0.000 2.266 1456 K HA 0.058 4.380 4.320 0.004 0.000 0.274 1456 K C -0.228 176.481 176.600 0.181 0.000 1.090 1456 K CA -0.228 56.184 56.287 0.209 0.000 0.925 1456 K CB 0.650 33.219 32.500 0.116 0.000 1.225 1456 K HN 0.370 nan 8.250 nan 0.000 0.458 1457 D N 4.296 124.813 120.400 0.194 0.000 2.441 1457 D HA -0.062 4.580 4.640 0.004 0.000 0.243 1457 D C -0.562 175.693 176.300 -0.076 0.000 1.257 1457 D CA 0.181 54.135 54.000 -0.076 0.000 1.027 1457 D CB 0.558 41.021 40.800 -0.562 0.000 1.084 1457 D HN 0.395 nan 8.370 nan 0.000 0.514 1458 E N 3.171 123.350 120.200 -0.036 0.000 2.328 1458 E HA 0.034 4.386 4.350 0.004 0.000 0.265 1458 E C 0.068 176.626 176.600 -0.070 0.000 1.057 1458 E CA -0.177 56.205 56.400 -0.031 0.000 0.916 1458 E CB 1.044 30.742 29.700 -0.003 0.000 0.993 1458 E HN 0.476 nan 8.360 nan 0.000 0.446 1459 L N 5.767 126.949 121.223 -0.068 0.000 2.407 1459 L HA 0.239 4.581 4.340 0.004 0.000 0.282 1459 L C 0.455 177.287 176.870 -0.063 0.000 1.110 1459 L CA 0.200 54.988 54.840 -0.087 0.000 0.863 1459 L CB -0.267 41.744 42.059 -0.080 0.000 1.207 1459 L HN 0.387 nan 8.230 nan 0.000 0.454 1460 I N 0.653 121.172 120.570 -0.086 0.000 2.722 1460 I HA 1.009 5.181 4.170 0.004 0.000 0.295 1460 I C 0.018 176.076 176.117 -0.098 0.000 1.161 1460 I CA -0.572 60.682 61.300 -0.078 0.000 1.032 1460 I CB 2.255 40.210 38.000 -0.075 0.000 1.244 1460 I HN 0.590 nan 8.210 nan 0.000 0.421 1461 G N 4.219 112.982 108.800 -0.061 0.000 2.712 1461 G HA2 -0.099 3.863 3.960 0.004 0.000 0.686 1461 G HA3 -0.099 3.863 3.960 0.004 0.000 0.686 1461 G C -0.267 174.652 174.900 0.031 0.000 1.181 1461 G CA -0.339 44.756 45.100 -0.008 0.000 0.762 1461 G HN 1.000 nan 8.290 nan 0.000 0.641 1462 L N 0.409 121.686 121.223 0.091 0.000 2.270 1462 L HA 0.212 4.554 4.340 0.004 0.000 0.210 1462 L C 2.740 179.572 176.870 -0.063 0.000 1.104 1462 L CA 1.292 56.139 54.840 0.012 0.000 0.804 1462 L CB -0.469 41.601 42.059 0.018 0.000 0.937 1462 L HN 0.675 nan 8.230 nan 0.000 0.450 1463 K N 1.616 121.921 120.400 -0.159 0.000 1.973 1463 K HA -0.204 4.119 4.320 0.004 0.000 0.212 1463 K C 2.155 178.616 176.600 -0.230 0.000 1.047 1463 K CA 1.972 58.043 56.287 -0.360 0.000 0.937 1463 K CB -0.096 31.860 32.500 -0.906 0.000 0.721 1463 K HN 0.493 nan 8.250 nan 0.000 0.440 1464 E N 0.051 120.127 120.200 -0.207 0.000 2.118 1464 E HA -0.256 4.097 4.350 0.004 0.000 0.195 1464 E C 1.481 177.983 176.600 -0.162 0.000 0.992 1464 E CA 1.561 57.831 56.400 -0.215 0.000 0.804 1464 E CB -0.550 29.006 29.700 -0.240 0.000 0.741 1464 E HN 0.456 nan 8.360 nan 0.000 0.458 1465 N N 0.159 118.787 118.700 -0.119 0.000 2.461 1465 N HA -0.012 4.731 4.740 0.004 0.000 0.188 1465 N C 1.285 176.749 175.510 -0.076 0.000 1.134 1465 N CA -0.067 52.929 53.050 -0.090 0.000 0.878 1465 N CB 0.444 38.889 38.487 -0.070 0.000 0.972 1465 N HN 0.006 nan 8.380 nan 0.000 0.456 1466 V N 0.553 120.418 119.914 -0.083 0.000 2.685 1466 V HA -0.032 4.091 4.120 0.004 0.000 0.244 1466 V C 1.982 178.045 176.094 -0.052 0.000 1.054 1466 V CA 0.646 62.906 62.300 -0.066 0.000 1.076 1466 V CB -0.021 31.760 31.823 -0.069 0.000 0.725 1466 V HN 0.294 nan 8.190 nan 0.000 0.467 1467 I N -0.063 120.472 120.570 -0.059 0.000 2.151 1467 I HA -0.311 3.861 4.170 0.004 0.000 0.243 1467 I C 2.314 178.422 176.117 -0.016 0.000 1.080 1467 I CA 1.854 63.138 61.300 -0.026 0.000 1.339 1467 I CB -0.293 37.690 38.000 -0.028 0.000 1.039 1467 I HN 0.274 nan 8.210 nan 0.000 0.409 1468 L N 0.888 122.090 121.223 -0.035 0.000 2.456 1468 L HA -0.034 4.308 4.340 0.004 0.000 0.224 1468 L C 1.506 178.360 176.870 -0.026 0.000 1.148 1468 L CA 0.921 55.745 54.840 -0.027 0.000 0.825 1468 L CB -0.398 41.638 42.059 -0.039 0.000 0.937 1468 L HN 0.527 nan 8.230 nan 0.000 0.450 1469 G N 0.383 109.165 108.800 -0.031 0.000 2.168 1469 G HA2 -0.347 3.616 3.960 0.004 0.000 0.257 1469 G HA3 -0.347 3.616 3.960 0.004 0.000 0.257 1469 G C 0.496 175.374 174.900 -0.037 0.000 0.997 1469 G CA 0.521 45.603 45.100 -0.031 0.000 0.708 1469 G HN 0.447 nan 8.290 nan 0.000 0.520 1470 R N -0.916 119.559 120.500 -0.041 0.000 2.546 1470 R HA 0.633 4.976 4.340 0.004 0.000 0.266 1470 R C 0.669 176.935 176.300 -0.056 0.000 1.086 1470 R CA -0.954 55.120 56.100 -0.043 0.000 1.160 1470 R CB 0.367 30.644 30.300 -0.039 0.000 1.138 1470 R HN 0.216 nan 8.270 nan 0.000 0.567 1471 L N 2.877 124.062 121.223 -0.064 0.000 2.461 1471 L HA 0.111 4.453 4.340 0.004 0.000 0.272 1471 L C -0.267 176.559 176.870 -0.074 0.000 1.197 1471 L CA 0.147 54.936 54.840 -0.086 0.000 0.836 1471 L CB 0.490 42.483 42.059 -0.110 0.000 1.105 1471 L HN 0.387 nan 8.230 nan 0.000 0.477 1472 I N 4.403 124.926 120.570 -0.078 0.000 2.587 1472 I HA 0.090 4.262 4.170 0.004 0.000 0.284 1472 I C -1.603 174.483 176.117 -0.053 0.000 1.134 1472 I CA -1.746 59.518 61.300 -0.060 0.000 1.410 1472 I CB -0.423 37.545 38.000 -0.054 0.000 1.392 1472 I HN 0.519 nan 8.210 nan 0.000 0.545 1473 P HA -0.042 nan 4.420 nan 0.000 0.226 1473 P C 0.160 177.450 177.300 -0.017 0.000 1.146 1473 P CA 1.161 64.247 63.100 -0.024 0.000 0.773 1473 P CB 0.439 32.127 31.700 -0.020 0.000 0.772 1474 A N -1.486 121.321 122.820 -0.021 0.000 2.386 1474 A HA 0.725 5.048 4.320 0.004 0.000 0.311 1474 A C 0.663 178.235 177.584 -0.020 0.000 1.068 1474 A CA -0.022 52.008 52.037 -0.012 0.000 0.743 1474 A CB 1.241 20.235 19.000 -0.010 0.000 1.258 1474 A HN 0.256 nan 8.150 nan 0.000 0.429 1475 G N 0.507 109.302 108.800 -0.008 0.000 2.952 1475 G HA2 -0.142 3.820 3.960 0.004 0.000 0.226 1475 G HA3 -0.142 3.820 3.960 0.004 0.000 0.226 1475 G C 0.772 175.665 174.900 -0.011 0.000 1.462 1475 G CA 0.539 45.634 45.100 -0.007 0.000 1.157 1475 G HN 1.279 nan 8.290 nan 0.000 0.544 1476 T N 1.536 116.070 114.554 -0.033 0.000 3.081 1476 T HA 0.369 4.722 4.350 0.004 0.000 0.250 1476 T C 1.958 176.584 174.700 -0.124 0.000 1.100 1476 T CA 1.658 63.734 62.100 -0.040 0.000 1.038 1476 T CB 0.322 69.174 68.868 -0.026 0.000 0.962 1476 T HN 1.219 nan 8.240 nan 0.000 0.516 1477 G N 1.920 110.647 108.800 -0.122 0.000 2.939 1477 G HA2 0.093 4.056 3.960 0.004 0.000 0.210 1477 G HA3 0.093 4.056 3.960 0.004 0.000 0.210 1477 G C 0.694 175.528 174.900 -0.109 0.000 1.160 1477 G CA -0.187 44.826 45.100 -0.145 0.000 0.770 1477 G HN 0.542 nan 8.290 nan 0.000 0.543 1478 S N 0.893 116.558 115.700 -0.058 0.000 2.629 1478 S HA 0.010 4.482 4.470 0.004 0.000 0.302 1478 S C 0.687 175.306 174.600 0.032 0.000 1.244 1478 S CA 0.034 58.242 58.200 0.013 0.000 1.098 1478 S CB 0.955 64.194 63.200 0.064 0.000 0.858 1478 S HN 0.143 nan 8.310 nan 0.000 0.502 1479 D N 1.785 122.243 120.400 0.098 0.000 2.239 1479 D HA -0.120 4.522 4.640 0.004 0.000 0.202 1479 D C 1.026 177.511 176.300 0.309 0.000 0.993 1479 D CA 1.023 55.150 54.000 0.212 0.000 0.874 1479 D CB -0.279 40.656 40.800 0.224 0.000 0.922 1479 D HN 0.672 nan 8.370 nan 0.000 0.464 1480 F N 0.201 120.192 119.950 0.067 0.000 2.186 1480 F HA -0.071 4.458 4.527 0.003 0.000 0.299 1480 F C 1.728 177.565 175.800 0.062 0.000 1.090 1480 F CA 0.828 58.871 58.000 0.071 0.000 1.307 1480 F CB 0.179 39.203 39.000 0.040 0.000 1.019 1480 F HN -0.142 nan 8.300 nan 0.000 0.489 1481 V N -1.069 118.851 119.914 0.010 0.000 3.432 1481 V HA 0.164 4.286 4.120 0.004 0.000 0.298 1481 V C 1.839 177.819 176.094 -0.190 0.000 1.464 1481 V CA 0.116 62.338 62.300 -0.130 0.000 1.046 1481 V CB -0.084 31.665 31.823 -0.123 0.000 0.887 1481 V HN 0.074 nan 8.190 nan 0.000 0.441 1482 R N 0.875 121.142 120.500 -0.387 0.000 2.200 1482 R HA -0.050 4.292 4.340 0.004 0.000 0.234 1482 R C -0.194 175.502 176.300 -1.006 0.000 1.127 1482 R CA 1.373 56.986 56.100 -0.812 0.000 0.989 1482 R CB 0.045 29.573 30.300 -1.287 0.000 0.869 1482 R HN 0.479 nan 8.270 nan 0.000 0.459 1483 F N -0.693 119.272 119.950 0.024 0.000 2.496 1483 F HA 0.400 4.931 4.527 0.007 0.000 0.341 1483 F C -0.730 175.062 175.800 -0.014 0.000 1.134 1483 F CA -0.819 57.190 58.000 0.015 0.000 0.968 1483 F CB 2.357 41.367 39.000 0.018 0.000 1.205 1483 F HN -0.317 nan 8.300 nan 0.000 0.436 1484 T N 2.829 117.445 114.554 0.105 0.000 3.705 1484 T HA 0.261 4.614 4.350 0.004 0.000 0.342 1484 T C -1.024 173.695 174.700 0.031 0.000 1.043 1484 T CA -1.050 61.071 62.100 0.035 0.000 1.071 1484 T CB 1.509 70.359 68.868 -0.031 0.000 1.124 1484 T HN 0.533 nan 8.240 nan 0.000 0.467 1485 Q N 1.511 121.327 119.800 0.027 0.000 2.257 1485 Q HA 0.862 5.205 4.340 0.004 0.000 0.262 1485 Q C -0.257 175.740 176.000 -0.005 0.000 0.997 1485 Q CA -1.249 54.565 55.803 0.018 0.000 0.873 1485 Q CB 2.319 31.074 28.738 0.029 0.000 1.312 1485 Q HN 0.538 nan 8.270 nan 0.000 0.450 1486 V N -1.760 118.148 119.914 -0.011 0.000 2.815 1486 V HA 0.874 4.997 4.120 0.004 0.000 0.314 1486 V C -0.437 175.649 176.094 -0.014 0.000 1.064 1486 V CA -0.704 61.584 62.300 -0.020 0.000 0.952 1486 V CB 1.847 33.650 31.823 -0.034 0.000 1.020 1486 V HN 0.618 nan 8.190 nan 0.000 0.439 1487 V N 1.401 121.306 119.914 -0.015 0.000 3.114 1487 V HA 0.570 4.693 4.120 0.004 0.000 0.308 1487 V C -1.597 174.489 176.094 -0.013 0.000 1.168 1487 V CA -0.559 61.735 62.300 -0.011 0.000 1.015 1487 V CB 2.490 34.308 31.823 -0.008 0.000 1.050 1487 V HN 1.135 nan 8.190 nan 0.000 0.433 1488 D N 2.390 122.784 120.400 -0.010 0.000 2.375 1488 D HA 0.286 4.928 4.640 0.004 0.000 0.247 1488 D C 0.417 176.712 176.300 -0.008 0.000 1.061 1488 D CA -0.671 53.324 54.000 -0.010 0.000 0.834 1488 D CB 2.036 42.830 40.800 -0.009 0.000 1.247 1488 D HN 0.332 nan 8.370 nan 0.000 0.489 1489 Q N 1.229 121.024 119.800 -0.008 0.000 2.290 1489 Q HA -0.208 4.135 4.340 0.004 0.000 0.211 1489 Q C 1.363 177.360 176.000 -0.005 0.000 0.991 1489 Q CA 1.421 57.220 55.803 -0.007 0.000 0.893 1489 Q CB -0.076 28.657 28.738 -0.007 0.000 0.913 1489 Q HN 0.551 nan 8.270 nan 0.000 0.428 1490 K N -0.407 119.990 120.400 -0.005 0.000 2.057 1490 K HA -0.049 4.273 4.320 0.004 0.000 0.206 1490 K C 1.999 178.597 176.600 -0.003 0.000 1.050 1490 K CA 1.529 57.814 56.287 -0.004 0.000 0.935 1490 K CB -0.062 32.436 32.500 -0.004 0.000 0.715 1490 K HN 0.157 nan 8.250 nan 0.000 0.439 1491 T N 2.129 116.681 114.554 -0.003 0.000 3.067 1491 T HA 0.006 4.359 4.350 0.004 0.000 0.261 1491 T C 1.563 176.262 174.700 -0.002 0.000 1.110 1491 T CA 0.231 62.330 62.100 -0.002 0.000 1.113 1491 T CB 0.069 68.936 68.868 -0.002 0.000 0.917 1491 T HN 0.066 nan 8.240 nan 0.000 0.499 1492 L N 1.191 122.413 121.223 -0.003 0.000 2.093 1492 L HA 0.032 4.374 4.340 0.004 0.000 0.208 1492 L C 1.974 178.843 176.870 -0.002 0.000 1.085 1492 L CA 1.842 56.681 54.840 -0.002 0.000 0.755 1492 L CB -0.537 41.520 42.059 -0.004 0.000 0.904 1492 L HN 0.068 nan 8.230 nan 0.000 0.435 1493 K N 0.093 120.492 120.400 -0.002 0.000 2.103 1493 K HA 0.032 4.354 4.320 0.004 0.000 0.204 1493 K C 2.099 178.698 176.600 -0.001 0.000 1.052 1493 K CA 1.164 57.450 56.287 -0.002 0.000 0.945 1493 K CB -0.386 32.112 32.500 -0.002 0.000 0.722 1493 K HN 0.335 nan 8.250 nan 0.000 0.443 1494 A N 1.446 124.266 122.820 -0.001 0.000 1.908 1494 A HA -0.168 4.155 4.320 0.004 0.000 0.218 1494 A C 2.189 179.773 177.584 0.001 0.000 1.181 1494 A CA 1.431 53.468 52.037 -0.000 0.000 0.627 1494 A CB -0.494 18.506 19.000 0.000 0.000 0.818 1494 A HN 0.126 nan 8.150 nan 0.000 0.445 1495 I N 0.129 120.700 120.570 0.001 0.000 2.315 1495 I HA -0.206 3.967 4.170 0.004 0.000 0.248 1495 I C 2.363 178.481 176.117 0.001 0.000 1.117 1495 I CA 1.870 63.171 61.300 0.001 0.000 1.404 1495 I CB -0.468 37.533 38.000 0.002 0.000 1.071 1495 I HN 0.640 nan 8.210 nan 0.000 0.419 1496 E N 0.612 120.812 120.200 0.000 0.000 2.204 1496 E HA -0.214 4.138 4.350 0.004 0.000 0.194 1496 E C 1.780 178.380 176.600 0.000 0.000 0.989 1496 E CA 1.310 57.711 56.400 0.000 0.000 0.824 1496 E CB -0.189 29.511 29.700 -0.000 0.000 0.756 1496 E HN 0.369 nan 8.360 nan 0.000 0.477 1497 E N 0.277 120.478 120.200 0.000 0.000 2.274 1497 E HA -0.046 4.306 4.350 0.004 0.000 0.194 1497 E C 1.907 178.508 176.600 0.001 0.000 0.996 1497 E CA 0.997 57.398 56.400 0.000 0.000 0.840 1497 E CB -0.135 29.565 29.700 0.000 0.000 0.772 1497 E HN 0.479 nan 8.360 nan 0.000 0.491 1498 A N 1.107 123.928 122.820 0.001 0.000 1.970 1498 A HA -0.080 4.242 4.320 0.004 0.000 0.216 1498 A C 2.145 179.730 177.584 0.001 0.000 1.170 1498 A CA 0.749 52.787 52.037 0.001 0.000 0.645 1498 A CB -0.182 18.819 19.000 0.002 0.000 0.816 1498 A HN 0.063 nan 8.150 nan 0.000 0.447 1499 R N -0.149 120.352 120.500 0.001 0.000 2.093 1499 R HA -0.005 4.337 4.340 0.004 0.000 0.224 1499 R C 2.031 178.331 176.300 0.001 0.000 1.101 1499 R CA 1.323 57.423 56.100 0.001 0.000 0.979 1499 R CB -0.185 30.115 30.300 0.001 0.000 0.877 1499 R HN 0.444 nan 8.270 nan 0.000 0.441 1500 K N 0.655 121.056 120.400 0.001 0.000 2.097 1500 K HA -0.144 4.179 4.320 0.004 0.000 0.205 1500 K C 1.912 178.512 176.600 0.001 0.000 1.050 1500 K CA 0.883 57.171 56.287 0.001 0.000 0.938 1500 K CB -0.003 32.497 32.500 0.000 0.000 0.718 1500 K HN 0.143 nan 8.250 nan 0.000 0.442 1501 E N 0.886 121.087 120.200 0.001 0.000 2.409 1501 E HA -0.112 4.240 4.350 0.004 0.000 0.198 1501 E C 1.549 178.150 176.600 0.001 0.000 1.024 1501 E CA 0.403 56.803 56.400 0.001 0.000 0.861 1501 E CB 0.107 29.808 29.700 0.001 0.000 0.788 1501 E HN 0.281 nan 8.360 nan 0.000 0.521 1502 A N 0.501 123.322 122.820 0.001 0.000 2.067 1502 A HA -0.047 4.276 4.320 0.004 0.000 0.219 1502 A C 1.299 178.884 177.584 0.001 0.000 1.158 1502 A CA 0.323 52.361 52.037 0.001 0.000 0.661 1502 A CB -0.092 18.908 19.000 0.001 0.000 0.801 1502 A HN 0.071 nan 8.150 nan 0.000 0.452 1503 V N 3.005 122.920 119.914 0.001 0.000 2.409 1503 V HA 0.024 4.147 4.120 0.004 0.000 0.270 1503 V C -0.156 175.938 176.094 0.001 0.000 1.019 1503 V CA -0.240 62.060 62.300 0.001 0.000 1.066 1503 V CB -0.238 31.585 31.823 0.001 0.000 1.021 1503 V HN 0.412 nan 8.190 nan 0.000 0.476 1504 E N 4.232 124.433 120.200 0.001 0.000 2.338 1504 E HA 0.527 4.879 4.350 0.004 0.000 0.272 1504 E C 0.773 177.374 176.600 0.001 0.000 1.029 1504 E CA 0.563 56.964 56.400 0.001 0.000 0.872 1504 E CB 1.001 30.702 29.700 0.001 0.000 1.015 1504 E HN 0.938 nan 8.360 nan 0.000 0.417 1505 A N 0.000 122.821 122.820 0.001 0.000 2.254 1505 A HA 0.000 4.322 4.320 0.004 0.000 0.244 1505 A CA 0.000 52.038 52.037 0.001 0.000 0.836 1505 A CB 0.000 19.001 19.000 0.001 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486