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 3aoi_1_I DATA FIRST_RESID 2 DATA SEQUENCE KKEVRKVRIA LASPEKIRSW SYGEVEKPET INYRTLKPER DGLFDERIFG DATA SEQUENCE PIKXXXXXXX XXXXXXXXXX XXXXXXXXXX XXIVRRYRMG 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 XXXXXXXXPA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRXXXXXX XXXXXXSDLN 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 PGTQLTMRXX XXXXXXXXXX DATA SEQUENCE XTQGLPRVIE 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 LKAIEEAR 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 0.000 176.615 176.600 0.025 0.000 0.988 2 K CA 0.000 56.299 56.287 0.020 0.000 0.838 2 K CB 0.000 32.510 32.500 0.016 0.000 1.064 3 K N 1.149 121.569 120.400 0.033 0.000 2.280 3 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 3 K C 0.343 176.975 176.600 0.052 0.000 1.047 3 K CA 1.013 57.326 56.287 0.043 0.000 0.942 3 K CB 0.012 32.545 32.500 0.056 0.000 0.739 3 K HN 0.187 nan 8.250 nan 0.000 0.457 4 E N 0.583 120.817 120.200 0.057 0.000 2.278 4 E HA 0.213 4.562 4.350 -0.000 0.000 0.272 4 E C -1.272 175.355 176.600 0.045 0.000 0.890 4 E CA -0.976 55.460 56.400 0.060 0.000 0.770 4 E CB 1.786 31.552 29.700 0.110 0.000 1.212 4 E HN -0.011 nan 8.360 nan 0.000 0.415 5 V N 3.791 123.722 119.914 0.028 0.000 2.400 5 V HA 0.142 4.262 4.120 -0.000 0.000 0.263 5 V C 0.925 177.033 176.094 0.025 0.000 1.026 5 V CA 0.026 62.338 62.300 0.020 0.000 1.077 5 V CB 0.454 32.281 31.823 0.007 0.000 1.054 5 V HN 0.678 nan 8.190 nan 0.000 0.477 6 R N 2.802 123.320 120.500 0.030 0.000 2.279 6 R HA 0.328 4.668 4.340 -0.000 0.000 0.195 6 R C 0.308 176.620 176.300 0.021 0.000 0.905 6 R CA 0.632 56.749 56.100 0.029 0.000 1.044 6 R CB 0.435 30.759 30.300 0.041 0.000 1.056 6 R HN 0.752 nan 8.270 nan 0.000 0.535 7 K N -0.507 119.910 120.400 0.030 0.000 2.422 7 K HA 0.505 4.824 4.320 -0.000 0.000 0.251 7 K C -1.466 175.174 176.600 0.066 0.000 0.933 7 K CA -0.830 55.482 56.287 0.041 0.000 0.798 7 K CB 3.336 35.866 32.500 0.049 0.000 1.238 7 K HN -0.266 nan 8.250 nan 0.000 0.428 8 V N 2.409 122.385 119.914 0.104 0.000 2.487 8 V HA 0.445 4.564 4.120 -0.000 0.000 0.298 8 V C -0.555 175.741 176.094 0.337 0.000 1.028 8 V CA -0.789 61.625 62.300 0.189 0.000 0.860 8 V CB 1.546 33.487 31.823 0.195 0.000 0.991 8 V HN 0.638 nan 8.190 nan 0.000 0.427 9 R N 4.373 125.018 120.500 0.241 0.000 2.393 9 R HA 0.622 4.962 4.340 -0.000 0.000 0.315 9 R C -1.179 175.151 176.300 0.051 0.000 0.952 9 R CA -0.584 55.624 56.100 0.180 0.000 0.842 9 R CB 1.419 31.784 30.300 0.109 0.000 1.163 9 R HN 0.714 nan 8.270 nan 0.000 0.450 10 I N 3.505 123.975 120.570 -0.165 0.000 2.385 10 I HA 0.521 4.690 4.170 -0.000 0.000 0.294 10 I C -0.413 175.618 176.117 -0.144 0.000 0.988 10 I CA -0.026 61.083 61.300 -0.318 0.000 1.265 10 I CB 1.602 39.057 38.000 -0.908 0.000 1.388 10 I HN 0.840 nan 8.210 nan 0.000 0.480 11 A N 6.770 129.575 122.820 -0.026 0.000 2.599 11 A HA 0.568 4.888 4.320 -0.000 0.000 0.290 11 A C -1.287 176.391 177.584 0.156 0.000 1.101 11 A CA -0.650 51.426 52.037 0.065 0.000 0.674 11 A CB 1.115 20.181 19.000 0.111 0.000 1.277 11 A HN 0.584 nan 8.150 nan 0.000 0.419 12 L N 0.758 122.124 121.223 0.239 0.000 2.452 12 L HA 0.472 4.812 4.340 -0.000 0.000 0.267 12 L C 0.862 177.937 176.870 0.341 0.000 1.188 12 L CA -0.285 54.763 54.840 0.345 0.000 0.821 12 L CB 1.289 43.613 42.059 0.442 0.000 1.102 12 L HN 0.904 nan 8.230 nan 0.000 0.470 13 A N 2.725 125.709 122.820 0.273 0.000 2.269 13 A HA 0.425 4.745 4.320 -0.000 0.000 0.302 13 A C 0.086 177.637 177.584 -0.055 0.000 1.266 13 A CA -0.316 51.801 52.037 0.134 0.000 0.894 13 A CB 0.469 19.502 19.000 0.055 0.000 1.147 13 A HN 0.697 nan 8.150 nan 0.000 0.537 14 S N 3.118 118.663 115.700 -0.258 0.000 2.593 14 S HA 0.269 4.738 4.470 -0.000 0.000 0.269 14 S C -1.603 172.685 174.600 -0.520 0.000 1.334 14 S CA -0.576 57.198 58.200 -0.711 0.000 1.015 14 S CB 0.863 63.713 63.200 -0.584 0.000 0.912 14 S HN 0.582 nan 8.310 nan 0.000 0.541 15 P HA 0.059 nan 4.420 nan 0.000 0.221 15 P C 0.761 177.830 177.300 -0.385 0.000 1.155 15 P CA 0.602 63.468 63.100 -0.390 0.000 0.812 15 P CB 0.221 31.731 31.700 -0.316 0.000 0.801 16 E N -0.251 119.725 120.200 -0.374 0.000 2.110 16 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 16 E C 1.900 178.313 176.600 -0.311 0.000 0.988 16 E CA 1.104 57.322 56.400 -0.302 0.000 0.804 16 E CB -0.486 29.069 29.700 -0.241 0.000 0.745 16 E HN 0.174 nan 8.360 nan 0.000 0.458 17 K N 0.308 120.510 120.400 -0.330 0.000 2.155 17 K HA -0.053 4.266 4.320 -0.000 0.000 0.203 17 K C 1.705 177.825 176.600 -0.800 0.000 1.052 17 K CA 0.595 56.691 56.287 -0.317 0.000 0.948 17 K CB 0.114 32.570 32.500 -0.073 0.000 0.728 17 K HN 0.065 nan 8.250 nan 0.000 0.448 18 I N 1.720 121.784 120.570 -0.845 0.000 2.286 18 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 18 I C 2.010 177.693 176.117 -0.724 0.000 1.115 18 I CA 1.308 62.003 61.300 -1.008 0.000 1.392 18 I CB -0.883 36.746 38.000 -0.619 0.000 1.065 18 I HN 0.184 nan 8.210 nan 0.000 0.418 19 R N 0.106 120.253 120.500 -0.589 0.000 2.119 19 R HA 0.017 4.357 4.340 -0.000 0.000 0.222 19 R C 2.345 178.420 176.300 -0.374 0.000 1.088 19 R CA 0.903 56.661 56.100 -0.570 0.000 0.984 19 R CB -1.072 28.926 30.300 -0.504 0.000 0.884 19 R HN 0.280 nan 8.270 nan 0.000 0.447 20 S N 0.583 116.095 115.700 -0.313 0.000 2.353 20 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 20 S C 1.451 176.080 174.600 0.049 0.000 1.035 20 S CA 1.251 59.381 58.200 -0.116 0.000 1.025 20 S CB -0.140 63.056 63.200 -0.005 0.000 0.902 20 S HN 0.464 nan 8.310 nan 0.000 0.440 21 W N 1.892 123.153 121.300 -0.065 0.000 2.595 21 W HA 0.387 5.047 4.660 -0.001 0.000 0.257 21 W C 1.433 177.985 176.519 0.055 0.000 1.267 21 W CA -0.182 57.170 57.345 0.012 0.000 1.300 21 W CB -2.121 27.357 29.460 0.030 0.000 1.120 21 W HN 0.279 nan 8.180 nan 0.000 0.618 22 S N 0.434 116.184 115.700 0.083 0.000 2.562 22 S HA 0.195 4.664 4.470 -0.000 0.000 0.281 22 S C -1.184 173.403 174.600 -0.022 0.000 1.333 22 S CA -0.039 58.188 58.200 0.044 0.000 1.052 22 S CB 0.337 63.477 63.200 -0.100 0.000 0.884 22 S HN 0.059 nan 8.310 nan 0.000 0.506 23 Y N 2.785 123.040 120.300 -0.076 0.000 2.332 23 Y HA 0.527 5.077 4.550 -0.001 0.000 0.326 23 Y C 0.830 176.636 175.900 -0.157 0.000 0.978 23 Y CA 0.256 58.295 58.100 -0.103 0.000 1.205 23 Y CB 1.339 39.724 38.460 -0.124 0.000 1.131 23 Y HN 1.206 nan 8.280 nan 0.000 0.462 24 G N 2.705 111.509 108.800 0.008 0.000 2.901 24 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.654 24 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.654 24 G C -0.638 174.227 174.900 -0.057 0.000 1.550 24 G CA -0.303 44.784 45.100 -0.022 0.000 0.978 24 G HN 0.727 nan 8.290 nan 0.000 0.566 25 E N -0.684 119.426 120.200 -0.149 0.000 2.199 25 E HA 0.508 4.858 4.350 -0.000 0.000 0.265 25 E C 0.575 177.045 176.600 -0.217 0.000 0.882 25 E CA -0.785 55.380 56.400 -0.391 0.000 0.759 25 E CB 1.607 30.918 29.700 -0.648 0.000 1.148 25 E HN 1.348 nan 8.360 nan 0.000 0.412 26 V N 2.370 122.181 119.914 -0.171 0.000 2.450 26 V HA 0.140 4.260 4.120 -0.000 0.000 0.281 26 V C 0.520 176.562 176.094 -0.088 0.000 1.019 26 V CA 0.243 62.506 62.300 -0.062 0.000 1.062 26 V CB 1.125 32.942 31.823 -0.011 0.000 0.979 26 V HN 0.990 nan 8.190 nan 0.000 0.477 27 E N 2.976 123.140 120.200 -0.060 0.000 2.489 27 E HA 0.258 4.608 4.350 -0.000 0.000 0.204 27 E C 0.398 176.980 176.600 -0.030 0.000 1.006 27 E CA -0.216 56.152 56.400 -0.054 0.000 0.936 27 E CB 0.549 30.219 29.700 -0.050 0.000 1.002 27 E HN 0.817 nan 8.360 nan 0.000 0.488 28 K N 0.308 120.695 120.400 -0.022 0.000 2.546 28 K HA 0.260 4.579 4.320 -0.000 0.000 0.264 28 K C -2.691 173.898 176.600 -0.019 0.000 0.937 28 K CA -2.063 54.216 56.287 -0.013 0.000 0.833 28 K CB 1.865 34.363 32.500 -0.004 0.000 1.378 28 K HN -0.299 nan 8.250 nan 0.000 0.432 29 P HA 0.023 nan 4.420 nan 0.000 0.277 29 P C -0.899 176.391 177.300 -0.017 0.000 1.617 29 P CA 0.194 63.283 63.100 -0.019 0.000 0.829 29 P CB 0.163 31.860 31.700 -0.005 0.000 1.774 30 E N 0.774 120.963 120.200 -0.018 0.000 2.042 30 E HA 0.093 4.443 4.350 -0.000 0.000 0.260 30 E C 1.441 178.040 176.600 -0.001 0.000 0.975 30 E CA -0.015 56.391 56.400 0.010 0.000 0.799 30 E CB 1.167 30.887 29.700 0.032 0.000 1.131 30 E HN 0.270 nan 8.360 nan 0.000 0.423 31 T N 0.633 115.192 114.554 0.008 0.000 2.542 31 T HA -0.050 4.300 4.350 -0.000 0.000 0.257 31 T C 1.115 176.020 174.700 0.342 0.000 1.111 31 T CA 0.710 62.838 62.100 0.047 0.000 1.203 31 T CB 0.086 69.029 68.868 0.125 0.000 0.866 31 T HN 0.250 nan 8.240 nan 0.000 0.399 32 I N 1.217 121.941 120.570 0.257 0.000 2.740 32 I HA 0.470 4.640 4.170 -0.000 0.000 0.303 32 I C -0.616 175.586 176.117 0.141 0.000 1.044 32 I CA -0.927 60.487 61.300 0.190 0.000 1.064 32 I CB 2.250 40.323 38.000 0.121 0.000 1.249 32 I HN 0.393 nan 8.210 nan 0.000 0.433 33 N N 2.906 121.682 118.700 0.126 0.000 2.260 33 N HA 0.153 4.892 4.740 -0.000 0.000 0.293 33 N C 0.180 175.786 175.510 0.160 0.000 1.058 33 N CA -0.433 52.713 53.050 0.159 0.000 0.824 33 N CB 1.703 40.253 38.487 0.105 0.000 1.551 33 N HN 0.672 nan 8.380 nan 0.000 0.475 34 Y N 2.560 122.869 120.300 0.015 0.000 2.242 34 Y HA 0.046 4.595 4.550 -0.000 0.000 0.291 34 Y C 2.290 178.194 175.900 0.007 0.000 1.137 34 Y CA 0.784 58.889 58.100 0.008 0.000 1.181 34 Y CB -0.087 38.377 38.460 0.007 0.000 0.989 34 Y HN 0.477 nan 8.280 nan 0.000 0.527 35 R N 1.163 121.145 120.500 -0.864 0.000 2.073 35 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 35 R C 0.064 176.198 176.300 -0.276 0.000 1.134 35 R CA 1.691 57.377 56.100 -0.691 0.000 0.952 35 R CB -0.394 29.527 30.300 -0.632 0.000 0.850 35 R HN 0.523 nan 8.270 nan 0.000 0.433 36 T N -1.910 112.543 114.554 -0.169 0.000 2.792 36 T HA 0.270 4.620 4.350 -0.000 0.000 0.280 36 T C 1.245 175.917 174.700 -0.047 0.000 0.990 36 T CA -0.796 61.254 62.100 -0.084 0.000 0.960 36 T CB 1.804 70.639 68.868 -0.054 0.000 0.939 36 T HN -0.036 nan 8.240 nan 0.000 0.439 37 L N 0.793 121.997 121.223 -0.032 0.000 2.043 37 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 37 L C 1.538 178.404 176.870 -0.006 0.000 1.075 37 L CA 1.485 56.318 54.840 -0.012 0.000 0.752 37 L CB -0.414 41.637 42.059 -0.014 0.000 0.891 37 L HN 0.739 nan 8.230 nan 0.000 0.432 38 K N 0.315 120.711 120.400 -0.007 0.000 2.414 38 K HA 0.078 4.397 4.320 -0.000 0.000 0.272 38 K C -2.152 174.464 176.600 0.026 0.000 0.993 38 K CA -1.629 54.660 56.287 0.002 0.000 0.964 38 K CB 0.077 32.580 32.500 0.006 0.000 0.925 38 K HN -0.081 nan 8.250 nan 0.000 0.487 39 P HA -0.082 nan 4.420 nan 0.000 0.262 39 P C -0.629 176.727 177.300 0.094 0.000 1.182 39 P CA 0.291 63.457 63.100 0.109 0.000 0.761 39 P CB 0.435 32.251 31.700 0.195 0.000 0.795 40 E N 3.519 123.769 120.200 0.084 0.000 2.415 40 E HA -0.000 4.350 4.350 -0.000 0.000 0.263 40 E C 0.118 176.757 176.600 0.065 0.000 0.995 40 E CA -0.147 56.287 56.400 0.057 0.000 0.915 40 E CB 0.230 29.958 29.700 0.047 0.000 0.951 40 E HN 0.245 nan 8.360 nan 0.000 0.449 41 R N 2.637 123.169 120.500 0.054 0.000 2.679 41 R HA 0.176 4.516 4.340 -0.000 0.000 0.268 41 R C 0.122 176.449 176.300 0.045 0.000 1.044 41 R CA 0.143 56.279 56.100 0.059 0.000 1.105 41 R CB 0.128 30.456 30.300 0.047 0.000 0.989 41 R HN 0.530 nan 8.270 nan 0.000 0.447 42 D N -1.120 119.309 120.400 0.049 0.000 2.802 42 D HA -0.112 4.528 4.640 -0.000 0.000 0.191 42 D C 0.322 176.632 176.300 0.016 0.000 0.962 42 D CA 1.581 55.595 54.000 0.024 0.000 1.004 42 D CB -1.184 39.622 40.800 0.010 0.000 1.055 42 D HN 0.750 nan 8.370 nan 0.000 0.451 43 G N -0.010 108.804 108.800 0.022 0.000 2.940 43 G HA2 0.581 4.541 3.960 -0.000 0.000 0.164 43 G HA3 0.581 4.541 3.960 -0.000 0.000 0.164 43 G C 1.234 176.087 174.900 -0.079 0.000 1.326 43 G CA -0.382 44.701 45.100 -0.027 0.000 1.020 43 G HN 0.055 nan 8.290 nan 0.000 0.586 44 L N -1.036 120.027 121.223 -0.268 0.000 2.093 44 L HA 0.083 4.422 4.340 -0.000 0.000 0.208 44 L C 1.797 178.250 176.870 -0.695 0.000 1.085 44 L CA 1.184 55.679 54.840 -0.576 0.000 0.755 44 L CB -0.228 41.259 42.059 -0.954 0.000 0.904 44 L HN 0.267 nan 8.230 nan 0.000 0.435 45 F N -0.699 119.169 119.950 -0.136 0.000 2.668 45 F HA 0.187 4.713 4.527 -0.000 0.000 0.297 45 F C 0.644 176.430 175.800 -0.023 0.000 1.124 45 F CA -1.434 56.469 58.000 -0.161 0.000 1.353 45 F CB -0.754 38.177 39.000 -0.115 0.000 0.992 45 F HN -0.069 nan 8.300 nan 0.000 0.524 46 D N 0.749 121.284 120.400 0.225 0.000 2.472 46 D HA -0.026 4.613 4.640 -0.000 0.000 0.237 46 D C 1.110 177.578 176.300 0.280 0.000 1.141 46 D CA 0.622 54.766 54.000 0.239 0.000 0.875 46 D CB 0.947 41.881 40.800 0.222 0.000 1.192 46 D HN 0.270 nan 8.370 nan 0.000 0.450 47 E N 1.518 121.824 120.200 0.176 0.000 2.299 47 E HA -0.013 4.336 4.350 -0.000 0.000 0.193 47 E C 1.672 178.353 176.600 0.136 0.000 0.998 47 E CA 0.170 56.663 56.400 0.155 0.000 0.851 47 E CB 0.216 29.968 29.700 0.087 0.000 0.795 47 E HN 0.349 nan 8.360 nan 0.000 0.492 48 R N 0.812 121.381 120.500 0.115 0.000 2.062 48 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 48 R C 2.034 178.385 176.300 0.084 0.000 1.128 48 R CA 1.130 57.284 56.100 0.090 0.000 0.960 48 R CB -0.124 30.218 30.300 0.070 0.000 0.855 48 R HN 0.161 nan 8.270 nan 0.000 0.432 49 I N -0.105 120.493 120.570 0.047 0.000 2.454 49 I HA -0.230 3.939 4.170 -0.000 0.000 0.254 49 I C 1.171 177.034 176.117 -0.423 0.000 1.156 49 I CA 1.328 62.531 61.300 -0.161 0.000 1.433 49 I CB -0.052 37.798 38.000 -0.250 0.000 1.082 49 I HN 0.172 nan 8.210 nan 0.000 0.432 50 F N -0.362 119.607 119.950 0.032 0.000 2.549 50 F HA 0.481 5.008 4.527 -0.001 0.000 0.275 50 F C 1.097 176.846 175.800 -0.084 0.000 0.990 50 F CA 0.462 58.446 58.000 -0.027 0.000 1.274 50 F CB -0.008 38.991 39.000 -0.001 0.000 1.064 50 F HN -0.018 nan 8.300 nan 0.000 0.715 51 G N -0.602 108.289 108.800 0.152 0.000 2.361 51 G HA2 0.232 4.192 3.960 -0.000 0.000 0.305 51 G HA3 0.232 4.192 3.960 -0.000 0.000 0.305 51 G C -3.176 171.756 174.900 0.053 0.000 1.367 51 G CA -1.273 43.858 45.100 0.052 0.000 0.951 51 G HN -0.262 nan 8.290 nan 0.000 0.615 52 P HA 0.140 nan 4.420 nan 0.000 0.258 52 P C 1.182 178.480 177.300 -0.003 0.000 1.187 52 P CA -0.118 62.989 63.100 0.010 0.000 0.767 52 P CB 0.520 32.220 31.700 -0.000 0.000 0.770 53 I N 1.778 122.347 120.570 -0.003 0.000 2.756 53 I HA -0.142 4.028 4.170 -0.000 0.000 0.262 53 I C 0.976 177.073 176.117 -0.034 0.000 1.225 53 I CA 1.262 62.548 61.300 -0.023 0.000 1.472 53 I CB 0.070 38.056 38.000 -0.023 0.000 1.094 53 I HN 0.213 nan 8.210 nan 0.000 0.454 85 V N 4.492 124.380 119.914 -0.044 0.000 3.242 85 V HA 0.810 4.930 4.120 -0.000 0.000 0.298 85 V C -1.232 174.815 176.094 -0.077 0.000 1.352 85 V CA -0.436 61.828 62.300 -0.061 0.000 1.052 85 V CB 2.810 34.597 31.823 -0.059 0.000 1.101 85 V HN 1.140 nan 8.190 nan 0.000 0.446 86 R N 2.557 122.989 120.500 -0.114 0.000 2.712 86 R HA 0.800 5.139 4.340 -0.000 0.000 0.272 86 R C -1.881 174.267 176.300 -0.254 0.000 1.032 86 R CA -0.681 55.310 56.100 -0.182 0.000 0.874 86 R CB 2.002 32.172 30.300 -0.217 0.000 1.256 86 R HN 0.670 nan 8.270 nan 0.000 0.468 87 R N 0.925 121.193 120.500 -0.387 0.000 2.712 87 R HA 0.321 4.661 4.340 -0.000 0.000 0.272 87 R C -1.198 174.841 176.300 -0.435 0.000 1.032 87 R CA -0.474 55.408 56.100 -0.362 0.000 0.874 87 R CB 0.852 31.084 30.300 -0.113 0.000 1.256 87 R HN 0.800 nan 8.270 nan 0.000 0.468 88 Y N -0.897 119.402 120.300 -0.002 0.000 2.617 88 Y HA 0.348 4.898 4.550 -0.000 0.000 0.280 88 Y C 0.662 176.556 175.900 -0.010 0.000 1.005 88 Y CA -0.527 57.567 58.100 -0.010 0.000 1.194 88 Y CB 1.062 39.503 38.460 -0.033 0.000 1.405 88 Y HN 0.067 nan 8.280 nan 0.000 0.580 89 R N 1.519 122.095 120.500 0.127 0.000 2.679 89 R HA 0.458 4.798 4.340 -0.000 0.000 0.269 89 R C -0.549 175.867 176.300 0.194 0.000 1.076 89 R CA 0.815 56.944 56.100 0.048 0.000 1.160 89 R CB 0.482 30.777 30.300 -0.008 0.000 1.054 89 R HN 0.060 nan 8.270 nan 0.000 0.507 90 M N -0.092 119.562 119.600 0.090 0.000 2.575 90 M HA 0.522 5.002 4.480 -0.000 0.000 0.284 90 M C -0.367 175.851 176.300 -0.138 0.000 1.253 90 M CA -0.882 54.481 55.300 0.105 0.000 0.861 90 M CB 2.808 35.560 32.600 0.253 0.000 1.733 90 M HN 0.741 nan 8.290 nan 0.000 0.462 91 G N -0.070 108.646 108.800 -0.139 0.000 2.680 91 G HA2 0.786 4.746 3.960 -0.000 0.000 0.290 91 G HA3 0.786 4.746 3.960 -0.000 0.000 0.290 91 G C -1.928 172.992 174.900 0.034 0.000 1.355 91 G CA -0.398 44.596 45.100 -0.176 0.000 0.903 91 G HN 0.851 nan 8.290 nan 0.000 0.474 92 H N -1.135 117.876 119.070 -0.098 0.000 2.821 92 H HA 0.677 5.233 4.556 -0.001 0.000 0.373 92 H C -1.530 173.768 175.328 -0.050 0.000 1.165 92 H CA -1.208 54.796 56.048 -0.075 0.000 1.154 92 H CB 1.843 31.533 29.762 -0.120 0.000 1.765 92 H HN 0.370 nan 8.280 nan 0.000 0.549 93 I N 1.662 122.166 120.570 -0.110 0.000 2.406 93 I HA 0.113 4.283 4.170 -0.000 0.000 0.290 93 I C -0.109 175.974 176.117 -0.057 0.000 0.999 93 I CA -0.731 60.488 61.300 -0.135 0.000 1.124 93 I CB 1.937 39.922 38.000 -0.025 0.000 1.289 93 I HN 0.541 nan 8.210 nan 0.000 0.441 94 E N 6.757 126.911 120.200 -0.076 0.000 1.996 94 E HA 0.306 4.655 4.350 -0.000 0.000 0.280 94 E C -0.846 175.748 176.600 -0.010 0.000 1.092 94 E CA -0.264 56.140 56.400 0.005 0.000 0.862 94 E CB 0.561 30.273 29.700 0.020 0.000 1.066 94 E HN 0.480 nan 8.360 nan 0.000 0.396 95 L N 3.758 124.979 121.223 -0.003 0.000 2.456 95 L HA 0.132 4.471 4.340 -0.000 0.000 0.272 95 L C 1.249 178.114 176.870 -0.009 0.000 1.189 95 L CA 0.082 54.917 54.840 -0.008 0.000 0.846 95 L CB 0.792 42.845 42.059 -0.010 0.000 1.111 95 L HN 0.824 nan 8.230 nan 0.000 0.475 96 A N 3.183 125.997 122.820 -0.010 0.000 1.823 96 A HA -0.047 4.273 4.320 -0.000 0.000 0.214 96 A C 0.889 178.469 177.584 -0.007 0.000 1.227 96 A CA 1.202 53.234 52.037 -0.008 0.000 0.616 96 A CB -0.435 18.561 19.000 -0.008 0.000 0.874 96 A HN 0.662 nan 8.150 nan 0.000 0.455 97 T N 1.707 116.256 114.554 -0.009 0.000 2.795 97 T HA 0.514 4.864 4.350 -0.000 0.000 0.282 97 T C -2.512 172.178 174.700 -0.016 0.000 0.980 97 T CA -0.901 61.194 62.100 -0.009 0.000 1.012 97 T CB 1.247 70.111 68.868 -0.008 0.000 0.936 97 T HN 0.109 nan 8.240 nan 0.000 0.457 98 P HA 0.175 nan 4.420 nan 0.000 0.270 98 P C -1.085 176.184 177.300 -0.052 0.000 1.181 98 P CA 0.247 63.338 63.100 -0.015 0.000 0.767 98 P CB 0.389 32.094 31.700 0.008 0.000 0.799 99 A N 0.797 123.576 122.820 -0.068 0.000 2.593 99 A HA 0.824 5.144 4.320 -0.000 0.000 0.290 99 A C -1.325 176.180 177.584 -0.133 0.000 1.126 99 A CA -0.117 51.831 52.037 -0.150 0.000 0.695 99 A CB 1.576 20.507 19.000 -0.115 0.000 1.290 99 A HN 0.533 nan 8.150 nan 0.000 0.414 100 A N -0.219 122.454 122.820 -0.245 0.000 2.387 100 A HA 0.718 5.038 4.320 -0.000 0.000 0.303 100 A C -0.620 176.952 177.584 -0.020 0.000 1.145 100 A CA -0.537 51.458 52.037 -0.071 0.000 0.801 100 A CB 0.663 19.673 19.000 0.016 0.000 1.342 100 A HN 0.894 nan 8.150 nan 0.000 0.440 101 H N 2.014 121.070 119.070 -0.024 0.000 2.955 101 H HA 0.066 4.622 4.556 -0.001 0.000 0.290 101 H C 1.018 176.385 175.328 0.064 0.000 1.047 101 H CA 0.139 56.121 56.048 -0.109 0.000 1.484 101 H CB 0.904 30.411 29.762 -0.424 0.000 1.501 101 H HN 0.626 nan 8.280 nan 0.000 0.521 102 I N 5.093 125.672 120.570 0.015 0.000 2.335 102 I HA -0.280 3.889 4.170 -0.000 0.000 0.251 102 I C 1.272 177.621 176.117 0.386 0.000 1.129 102 I CA 1.114 62.547 61.300 0.222 0.000 1.402 102 I CB -0.451 37.654 38.000 0.175 0.000 1.069 102 I HN 0.653 nan 8.210 nan 0.000 0.424 103 W N 0.591 121.964 121.300 0.122 0.000 2.364 103 W HA -0.171 4.488 4.660 -0.000 0.000 0.281 103 W C 2.375 179.195 176.519 0.501 0.000 1.219 103 W CA 1.212 58.718 57.345 0.268 0.000 1.220 103 W CB -0.990 28.649 29.460 0.298 0.000 1.127 103 W HN 0.114 nan 8.180 nan 0.000 0.556 104 F N -2.007 118.235 119.950 0.487 0.000 2.695 104 F HA 0.041 4.568 4.527 -0.000 0.000 0.303 104 F C 1.416 177.355 175.800 0.232 0.000 1.091 104 F CA -0.166 58.020 58.000 0.309 0.000 1.300 104 F CB 0.121 39.292 39.000 0.286 0.000 1.071 104 F HN -0.336 nan 8.300 nan 0.000 0.578 105 V N -1.472 118.704 119.914 0.435 0.000 3.307 105 V HA 0.062 4.181 4.120 -0.000 0.000 0.244 105 V C 1.548 177.776 176.094 0.224 0.000 1.196 105 V CA 0.569 63.050 62.300 0.302 0.000 1.132 105 V CB 0.141 32.198 31.823 0.389 0.000 0.875 105 V HN 0.002 nan 8.190 nan 0.000 0.468 106 K N 0.639 121.180 120.400 0.236 0.000 2.373 106 K HA 0.249 4.569 4.320 -0.000 0.000 0.202 106 K C -0.119 176.539 176.600 0.097 0.000 1.025 106 K CA -0.030 56.353 56.287 0.160 0.000 1.115 106 K CB 0.226 32.826 32.500 0.167 0.000 0.858 106 K HN 0.485 nan 8.250 nan 0.000 0.525 107 D N -0.022 120.439 120.400 0.102 0.000 2.382 107 D HA -0.009 4.631 4.640 -0.000 0.000 0.245 107 D C 1.622 177.913 176.300 -0.015 0.000 1.120 107 D CA -0.114 53.903 54.000 0.028 0.000 0.890 107 D CB 1.219 42.049 40.800 0.050 0.000 1.201 107 D HN -0.219 nan 8.370 nan 0.000 0.433 108 V N 2.289 122.165 119.914 -0.063 0.000 2.240 108 V HA -0.212 3.907 4.120 -0.000 0.000 0.257 108 V C -1.322 174.726 176.094 -0.076 0.000 1.067 108 V CA 1.383 63.636 62.300 -0.079 0.000 1.067 108 V CB -2.124 29.622 31.823 -0.127 0.000 0.683 108 V HN 0.708 nan 8.190 nan 0.000 0.461 109 P HA 0.336 nan 4.420 nan 0.000 0.283 109 P C -0.383 176.894 177.300 -0.038 0.000 1.412 109 P CA 0.113 63.163 63.100 -0.084 0.000 0.912 109 P CB 1.034 32.659 31.700 -0.125 0.000 1.132 110 S N 3.090 118.784 115.700 -0.009 0.000 2.811 110 S HA -0.063 4.407 4.470 -0.000 0.000 0.325 110 S C 1.535 176.148 174.600 0.022 0.000 1.224 110 S CA 0.104 58.319 58.200 0.025 0.000 1.125 110 S CB -0.037 63.169 63.200 0.010 0.000 0.867 110 S HN 0.168 nan 8.310 nan 0.000 0.512 111 K N 4.281 124.708 120.400 0.045 0.000 2.147 111 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 111 K C 1.588 178.215 176.600 0.046 0.000 1.049 111 K CA 1.134 57.427 56.287 0.010 0.000 0.936 111 K CB -0.097 32.365 32.500 -0.064 0.000 0.722 111 K HN 0.733 nan 8.250 nan 0.000 0.446 112 I N -1.214 119.397 120.570 0.068 0.000 2.867 112 I HA 0.047 4.217 4.170 -0.000 0.000 0.265 112 I C 1.575 177.688 176.117 -0.008 0.000 1.162 112 I CA 1.171 62.498 61.300 0.045 0.000 1.471 112 I CB -0.786 37.256 38.000 0.071 0.000 1.123 112 I HN 0.140 nan 8.210 nan 0.000 0.440 113 G N 0.512 109.301 108.800 -0.019 0.000 2.408 113 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 113 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 113 G C 1.469 176.352 174.900 -0.027 0.000 1.150 113 G CA 1.247 46.322 45.100 -0.042 0.000 0.776 113 G HN 0.390 nan 8.290 nan 0.000 0.542 114 T N 0.907 115.454 114.554 -0.013 0.000 2.732 114 T HA -0.035 4.315 4.350 -0.000 0.000 0.261 114 T C 2.273 176.973 174.700 -0.000 0.000 1.040 114 T CA 0.960 63.054 62.100 -0.009 0.000 1.145 114 T CB -0.239 68.624 68.868 -0.009 0.000 0.866 114 T HN 0.166 nan 8.240 nan 0.000 0.427 115 L N 0.400 121.633 121.223 0.017 0.000 2.017 115 L HA 0.015 4.354 4.340 -0.000 0.000 0.208 115 L C 2.315 179.183 176.870 -0.003 0.000 1.073 115 L CA 1.415 56.275 54.840 0.032 0.000 0.745 115 L CB -0.220 41.891 42.059 0.086 0.000 0.894 115 L HN 0.248 nan 8.230 nan 0.000 0.432 116 L N -0.492 120.718 121.223 -0.022 0.000 2.162 116 L HA -0.093 4.246 4.340 -0.000 0.000 0.205 116 L C 0.391 177.240 176.870 -0.036 0.000 1.086 116 L CA 1.342 56.158 54.840 -0.040 0.000 0.778 116 L CB 0.070 42.095 42.059 -0.056 0.000 0.928 116 L HN 0.556 nan 8.230 nan 0.000 0.446 117 D N -0.441 119.939 120.400 -0.033 0.000 2.813 117 D HA -0.162 4.478 4.640 -0.000 0.000 0.241 117 D C -0.645 175.632 176.300 -0.039 0.000 1.071 117 D CA 0.334 54.316 54.000 -0.030 0.000 0.747 117 D CB -1.198 39.589 40.800 -0.023 0.000 1.077 117 D HN 0.200 nan 8.370 nan 0.000 0.436 118 L N -0.283 120.909 121.223 -0.051 0.000 2.347 118 L HA 0.551 4.891 4.340 -0.000 0.000 0.268 118 L C 0.894 177.730 176.870 -0.056 0.000 1.019 118 L CA -1.209 53.595 54.840 -0.061 0.000 0.806 118 L CB 1.240 43.247 42.059 -0.087 0.000 1.339 118 L HN -0.056 nan 8.230 nan 0.000 0.463 119 S N 1.337 117.003 115.700 -0.058 0.000 2.808 119 S HA -0.035 4.435 4.470 -0.000 0.000 0.342 119 S C 1.304 175.874 174.600 -0.051 0.000 1.154 119 S CA 0.276 58.446 58.200 -0.050 0.000 1.476 119 S CB 0.226 63.395 63.200 -0.052 0.000 1.290 119 S HN 0.706 nan 8.310 nan 0.000 0.582 120 A N 4.089 126.884 122.820 -0.042 0.000 2.004 120 A HA -0.340 3.979 4.320 -0.000 0.000 0.229 120 A C 2.239 179.802 177.584 -0.035 0.000 1.455 120 A CA 2.869 54.884 52.037 -0.037 0.000 0.709 120 A CB -1.200 17.783 19.000 -0.028 0.000 0.835 120 A HN 0.841 nan 8.150 nan 0.000 0.514 121 T N -5.738 108.798 114.554 -0.031 0.000 2.980 121 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 121 T C 1.423 176.112 174.700 -0.018 0.000 0.962 121 T CA 0.756 62.846 62.100 -0.018 0.000 0.932 121 T CB 0.242 69.106 68.868 -0.006 0.000 1.188 121 T HN 0.516 nan 8.240 nan 0.000 0.500 122 E N 0.047 120.227 120.200 -0.033 0.000 2.307 122 E HA 0.214 4.563 4.350 -0.000 0.000 0.195 122 E C 1.751 178.313 176.600 -0.064 0.000 0.975 122 E CA 0.009 56.386 56.400 -0.038 0.000 0.878 122 E CB 0.159 29.834 29.700 -0.041 0.000 0.845 122 E HN 0.202 nan 8.360 nan 0.000 0.488 123 L N 1.547 122.724 121.223 -0.076 0.000 2.109 123 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 123 L C 2.021 178.820 176.870 -0.118 0.000 1.086 123 L CA 1.581 56.364 54.840 -0.094 0.000 0.760 123 L CB -0.352 41.656 42.059 -0.085 0.000 0.910 123 L HN 0.073 nan 8.230 nan 0.000 0.437 124 E N -0.379 119.733 120.200 -0.146 0.000 2.005 124 E HA -0.295 4.054 4.350 -0.000 0.000 0.198 124 E C 2.236 178.724 176.600 -0.187 0.000 1.010 124 E CA 1.771 58.013 56.400 -0.265 0.000 0.825 124 E CB -0.392 29.140 29.700 -0.279 0.000 0.769 124 E HN 0.495 nan 8.360 nan 0.000 0.456 125 Q N -0.187 119.593 119.800 -0.034 0.000 2.133 125 Q HA -0.205 4.135 4.340 -0.000 0.000 0.208 125 Q C 2.167 178.244 176.000 0.129 0.000 0.991 125 Q CA 1.888 57.778 55.803 0.145 0.000 0.867 125 Q CB -0.170 28.675 28.738 0.178 0.000 0.911 125 Q HN 0.204 nan 8.270 nan 0.000 0.417 126 V N 0.834 120.752 119.914 0.007 0.000 2.278 126 V HA -0.286 3.834 4.120 -0.000 0.000 0.251 126 V C 2.072 178.198 176.094 0.053 0.000 1.062 126 V CA 2.174 64.432 62.300 -0.071 0.000 1.038 126 V CB -0.455 31.250 31.823 -0.196 0.000 0.646 126 V HN 0.622 nan 8.190 nan 0.000 0.447 127 L N -4.081 117.172 121.223 0.050 0.000 2.766 127 L HA 0.267 4.606 4.340 -0.000 0.000 0.242 127 L C 1.857 178.795 176.870 0.114 0.000 1.136 127 L CA 0.797 55.700 54.840 0.105 0.000 0.933 127 L CB -0.729 41.364 42.059 0.056 0.000 1.241 127 L HN 0.210 nan 8.230 nan 0.000 0.522 128 Y N 0.112 120.310 120.300 -0.169 0.000 2.130 128 Y HA -0.107 4.443 4.550 -0.000 0.000 0.287 128 Y C 1.460 177.073 175.900 -0.478 0.000 1.124 128 Y CA 1.476 59.314 58.100 -0.436 0.000 1.118 128 Y CB 0.080 38.059 38.460 -0.802 0.000 0.994 128 Y HN 0.274 nan 8.280 nan 0.000 0.497 129 F N -1.632 118.426 119.950 0.181 0.000 2.727 129 F HA 0.185 4.711 4.527 -0.001 0.000 0.302 129 F C 0.710 176.566 175.800 0.093 0.000 1.097 129 F CA -0.122 57.925 58.000 0.078 0.000 1.330 129 F CB 0.226 39.260 39.000 0.057 0.000 1.084 129 F HN -0.262 nan 8.300 nan 0.000 0.578 130 S N 0.559 116.414 115.700 0.259 0.000 2.537 130 S HA 0.246 4.716 4.470 -0.000 0.000 0.301 130 S C 0.966 175.685 174.600 0.199 0.000 1.092 130 S CA -0.719 57.634 58.200 0.255 0.000 1.048 130 S CB 1.437 64.845 63.200 0.346 0.000 1.053 130 S HN 0.149 nan 8.310 nan 0.000 0.501 131 K N 2.794 123.277 120.400 0.138 0.000 2.504 131 K HA -0.010 4.309 4.320 -0.000 0.000 0.195 131 K C -0.550 176.072 176.600 0.035 0.000 1.036 131 K CA 0.323 56.640 56.287 0.049 0.000 0.984 131 K CB -0.150 32.340 32.500 -0.016 0.000 0.788 131 K HN 0.692 nan 8.250 nan 0.000 0.488 132 Y N 1.368 121.681 120.300 0.023 0.000 2.810 132 Y HA -0.099 4.450 4.550 -0.001 0.000 0.332 132 Y C 1.014 176.898 175.900 -0.027 0.000 1.243 132 Y CA 0.328 58.430 58.100 0.004 0.000 1.537 132 Y CB 0.169 38.635 38.460 0.009 0.000 1.265 132 Y HN -0.066 nan 8.280 nan 0.000 0.572 133 I N 3.875 124.474 120.570 0.048 0.000 2.934 133 I HA 0.464 4.634 4.170 -0.000 0.000 0.315 133 I C 0.217 176.286 176.117 -0.079 0.000 0.997 133 I CA -0.962 60.295 61.300 -0.071 0.000 1.184 133 I CB 0.975 38.830 38.000 -0.242 0.000 1.400 133 I HN 0.373 nan 8.210 nan 0.000 0.549 134 V N 0.949 120.787 119.914 -0.128 0.000 3.707 134 V HA 0.646 4.766 4.120 -0.000 0.000 0.293 134 V C -0.569 175.435 176.094 -0.150 0.000 1.307 134 V CA -0.828 61.408 62.300 -0.106 0.000 0.971 134 V CB 1.724 33.501 31.823 -0.077 0.000 1.263 134 V HN 0.656 nan 8.190 nan 0.000 0.473 135 L N -1.424 119.734 121.223 -0.108 0.000 2.283 135 L HA 0.725 5.065 4.340 -0.000 0.000 0.259 135 L C -0.107 176.716 176.870 -0.079 0.000 1.027 135 L CA 0.005 54.782 54.840 -0.104 0.000 0.828 135 L CB 2.270 44.285 42.059 -0.072 0.000 1.380 135 L HN 0.929 nan 8.230 nan 0.000 0.425 136 D N -0.898 119.462 120.400 -0.067 0.000 3.001 136 D HA 0.306 4.945 4.640 -0.000 0.000 0.183 136 D C -1.981 174.299 176.300 -0.034 0.000 1.502 136 D CA 0.372 54.343 54.000 -0.049 0.000 1.490 136 D CB 0.167 40.938 40.800 -0.049 0.000 1.274 136 D HN 0.435 nan 8.370 nan 0.000 0.269 137 P HA 0.261 nan 4.420 nan 0.000 0.186 137 P C -0.961 176.327 177.300 -0.019 0.000 1.117 137 P CA 0.484 63.571 63.100 -0.021 0.000 0.832 137 P CB 0.251 31.941 31.700 -0.017 0.000 0.713 138 K N -0.168 120.218 120.400 -0.023 0.000 2.371 138 K HA 0.719 5.039 4.320 -0.000 0.000 0.251 138 K C -0.703 175.867 176.600 -0.050 0.000 0.934 138 K CA -0.851 55.418 56.287 -0.031 0.000 0.798 138 K CB 1.722 34.204 32.500 -0.030 0.000 1.204 138 K HN 0.296 nan 8.250 nan 0.000 0.427 139 G N 0.869 109.639 108.800 -0.050 0.000 3.846 139 G HA2 0.425 4.385 3.960 -0.000 0.000 0.281 139 G HA3 0.425 4.385 3.960 -0.000 0.000 0.281 139 G C 0.482 175.362 174.900 -0.032 0.000 1.384 139 G CA -0.134 44.936 45.100 -0.050 0.000 0.641 139 G HN 0.688 nan 8.290 nan 0.000 0.458 140 A N 1.250 124.021 122.820 -0.081 0.000 2.148 140 A HA -0.026 4.294 4.320 -0.000 0.000 0.222 140 A C 1.248 178.899 177.584 0.111 0.000 1.161 140 A CA 0.751 52.821 52.037 0.055 0.000 0.662 140 A CB -0.027 19.111 19.000 0.229 0.000 0.799 140 A HN 0.527 nan 8.150 nan 0.000 0.466 141 I N 0.668 121.296 120.570 0.096 0.000 2.532 141 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 141 I C -0.856 175.308 176.117 0.080 0.000 1.014 141 I CA -1.046 60.321 61.300 0.111 0.000 1.340 141 I CB 1.310 39.388 38.000 0.131 0.000 1.422 141 I HN 0.198 nan 8.210 nan 0.000 0.528 142 L N 6.233 127.500 121.223 0.074 0.000 2.333 142 L HA 0.537 4.877 4.340 -0.000 0.000 0.280 142 L C 1.050 177.954 176.870 0.057 0.000 1.004 142 L CA -0.652 54.223 54.840 0.059 0.000 0.820 142 L CB 0.619 42.708 42.059 0.050 0.000 1.247 142 L HN 0.479 nan 8.230 nan 0.000 0.416 143 N N 2.199 120.932 118.700 0.055 0.000 2.166 143 N HA -0.083 4.657 4.740 -0.000 0.000 0.186 143 N C 1.038 176.575 175.510 0.045 0.000 1.019 143 N CA 1.523 54.605 53.050 0.053 0.000 0.856 143 N CB 0.011 38.531 38.487 0.054 0.000 0.993 143 N HN 0.921 nan 8.380 nan 0.000 0.426 144 G N -0.997 107.827 108.800 0.041 0.000 3.163 144 G HA2 0.203 4.162 3.960 -0.000 0.000 0.152 144 G HA3 0.203 4.162 3.960 -0.000 0.000 0.152 144 G C -0.517 174.401 174.900 0.031 0.000 1.379 144 G CA 0.224 45.344 45.100 0.034 0.000 0.789 144 G HN 0.237 nan 8.290 nan 0.000 0.960 145 V N 1.092 121.026 119.914 0.032 0.000 3.001 145 V HA 0.721 4.841 4.120 -0.000 0.000 0.314 145 V C -2.250 173.864 176.094 0.033 0.000 1.099 145 V CA -2.248 60.069 62.300 0.029 0.000 0.989 145 V CB 2.744 34.581 31.823 0.024 0.000 1.040 145 V HN 0.009 nan 8.190 nan 0.000 0.434 146 P HA -0.013 nan 4.420 nan 0.000 0.278 146 P C -0.801 176.517 177.300 0.031 0.000 1.268 146 P CA 0.177 63.297 63.100 0.034 0.000 0.813 146 P CB 0.247 31.965 31.700 0.030 0.000 1.180 147 V N 0.598 120.530 119.914 0.030 0.000 2.521 147 V HA 0.016 4.136 4.120 -0.000 0.000 0.286 147 V C -0.057 176.043 176.094 0.011 0.000 1.034 147 V CA 0.003 62.316 62.300 0.021 0.000 1.045 147 V CB -0.161 31.671 31.823 0.016 0.000 0.974 147 V HN 0.288 nan 8.190 nan 0.000 0.480 148 E N 5.603 125.807 120.200 0.006 0.000 2.029 148 E HA 0.191 4.541 4.350 -0.000 0.000 0.276 148 E C 0.924 177.517 176.600 -0.013 0.000 1.163 148 E CA 0.145 56.543 56.400 -0.003 0.000 0.909 148 E CB 0.839 30.536 29.700 -0.006 0.000 1.046 148 E HN 0.668 nan 8.360 nan 0.000 0.406 149 K N 1.827 122.220 120.400 -0.011 0.000 2.127 149 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 149 K C 0.965 177.549 176.600 -0.026 0.000 1.047 149 K CA 1.485 57.762 56.287 -0.016 0.000 0.927 149 K CB 0.144 32.636 32.500 -0.012 0.000 0.716 149 K HN 0.217 nan 8.250 nan 0.000 0.450 150 R N -1.410 119.072 120.500 -0.029 0.000 2.504 150 R HA 0.111 4.451 4.340 -0.000 0.000 0.341 150 R C 0.225 176.499 176.300 -0.043 0.000 0.905 150 R CA -0.271 55.806 56.100 -0.039 0.000 1.133 150 R CB 0.541 30.819 30.300 -0.038 0.000 1.704 150 R HN -0.027 nan 8.270 nan 0.000 0.503 151 Q N 1.224 121.003 119.800 -0.034 0.000 3.055 151 Q HA 0.229 4.569 4.340 -0.000 0.000 0.190 151 Q C -0.064 175.914 176.000 -0.036 0.000 1.173 151 Q CA 0.657 56.441 55.803 -0.032 0.000 1.266 151 Q CB 0.322 29.048 28.738 -0.020 0.000 1.338 151 Q HN 0.239 nan 8.270 nan 0.000 0.707 152 L N -0.907 120.303 121.223 -0.021 0.000 2.434 152 L HA 0.742 5.082 4.340 -0.000 0.000 0.260 152 L C -1.254 175.634 176.870 0.029 0.000 0.983 152 L CA -1.354 53.480 54.840 -0.009 0.000 0.820 152 L CB 1.343 43.406 42.059 0.006 0.000 1.361 152 L HN 0.358 nan 8.230 nan 0.000 0.410 153 L N -1.225 120.022 121.223 0.040 0.000 2.322 153 L HA 0.842 5.181 4.340 -0.000 0.000 0.252 153 L C 0.270 177.212 176.870 0.121 0.000 1.055 153 L CA -0.757 54.133 54.840 0.084 0.000 0.849 153 L CB 1.152 43.251 42.059 0.068 0.000 1.446 153 L HN 0.701 nan 8.230 nan 0.000 0.416 154 T N -1.894 112.738 114.554 0.131 0.000 2.899 154 T HA 0.165 4.515 4.350 -0.000 0.000 0.295 154 T C 0.792 175.543 174.700 0.086 0.000 1.033 154 T CA 0.644 62.792 62.100 0.081 0.000 1.084 154 T CB 0.498 69.411 68.868 0.075 0.000 0.979 154 T HN 0.864 nan 8.240 nan 0.000 0.532 155 D N 1.359 121.771 120.400 0.021 0.000 2.106 155 D HA -0.167 4.473 4.640 -0.000 0.000 0.191 155 D C 1.832 178.164 176.300 0.054 0.000 0.997 155 D CA 1.812 55.861 54.000 0.083 0.000 0.834 155 D CB 0.075 40.864 40.800 -0.018 0.000 0.956 155 D HN 0.666 nan 8.370 nan 0.000 0.448 156 E N 0.392 120.601 120.200 0.014 0.000 2.033 156 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 156 E C 2.250 178.867 176.600 0.028 0.000 1.011 156 E CA 1.228 57.632 56.400 0.006 0.000 0.815 156 E CB -0.674 29.031 29.700 0.007 0.000 0.755 156 E HN 0.427 nan 8.360 nan 0.000 0.451 157 E N 0.040 120.277 120.200 0.062 0.000 2.058 157 E HA -0.180 4.169 4.350 -0.000 0.000 0.194 157 E C 1.926 178.601 176.600 0.125 0.000 0.997 157 E CA 0.966 57.416 56.400 0.084 0.000 0.801 157 E CB -0.463 29.292 29.700 0.092 0.000 0.746 157 E HN 0.302 nan 8.360 nan 0.000 0.450 158 Y N 1.517 121.815 120.300 -0.004 0.000 2.053 158 Y HA -0.268 4.281 4.550 -0.001 0.000 0.277 158 Y C 2.286 178.181 175.900 -0.009 0.000 1.159 158 Y CA 2.280 60.367 58.100 -0.022 0.000 1.125 158 Y CB -0.712 37.713 38.460 -0.059 0.000 0.969 158 Y HN -0.071 nan 8.280 nan 0.000 0.492 159 R N 0.186 120.502 120.500 -0.306 0.000 2.091 159 R HA -0.198 4.142 4.340 -0.000 0.000 0.238 159 R C 2.378 178.622 176.300 -0.093 0.000 1.136 159 R CA 1.830 57.731 56.100 -0.331 0.000 0.959 159 R CB -0.378 29.803 30.300 -0.198 0.000 0.856 159 R HN 0.479 nan 8.270 nan 0.000 0.437 160 E N 0.477 120.664 120.200 -0.022 0.000 2.001 160 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 160 E C 2.026 178.659 176.600 0.054 0.000 0.994 160 E CA 1.261 57.675 56.400 0.023 0.000 0.815 160 E CB -0.231 29.490 29.700 0.035 0.000 0.770 160 E HN 0.258 nan 8.360 nan 0.000 0.453 161 L N 0.808 122.078 121.223 0.077 0.000 2.027 161 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 161 L C 2.642 179.587 176.870 0.124 0.000 1.074 161 L CA 1.539 56.439 54.840 0.099 0.000 0.745 161 L CB -0.244 41.879 42.059 0.106 0.000 0.898 161 L HN 0.012 nan 8.230 nan 0.000 0.433 162 R N -1.799 118.793 120.500 0.153 0.000 2.041 162 R HA 0.005 4.345 4.340 -0.000 0.000 0.221 162 R C 2.236 178.674 176.300 0.231 0.000 1.196 162 R CA 1.328 57.548 56.100 0.200 0.000 0.969 162 R CB -1.253 29.236 30.300 0.316 0.000 0.858 162 R HN 0.354 nan 8.270 nan 0.000 0.444 163 Y N 0.594 120.849 120.300 -0.076 0.000 2.497 163 Y HA -0.034 4.516 4.550 -0.001 0.000 0.292 163 Y C 0.859 176.728 175.900 -0.051 0.000 1.137 163 Y CA 0.261 58.301 58.100 -0.099 0.000 1.285 163 Y CB 0.434 38.755 38.460 -0.232 0.000 0.991 163 Y HN 0.348 nan 8.280 nan 0.000 0.556 164 G N 0.705 109.569 108.800 0.106 0.000 2.428 164 G HA2 -0.054 3.905 3.960 -0.000 0.000 0.681 164 G HA3 -0.054 3.905 3.960 -0.000 0.000 0.681 164 G C -1.600 173.324 174.900 0.039 0.000 1.340 164 G CA -0.874 44.264 45.100 0.063 0.000 0.915 164 G HN -0.023 nan 8.290 nan 0.000 0.645 165 K N 1.277 121.700 120.400 0.039 0.000 2.723 165 K HA 0.348 4.667 4.320 -0.000 0.000 0.229 165 K C -0.684 175.935 176.600 0.032 0.000 1.022 165 K CA -0.623 55.682 56.287 0.030 0.000 1.045 165 K CB 1.152 33.675 32.500 0.039 0.000 1.227 165 K HN 0.583 nan 8.250 nan 0.000 0.516 166 Q N 2.414 122.225 119.800 0.019 0.000 2.259 166 Q HA 0.176 4.516 4.340 -0.000 0.000 0.249 166 Q C -1.164 174.848 176.000 0.019 0.000 0.914 166 Q CA 0.068 55.884 55.803 0.022 0.000 0.904 166 Q CB 1.674 30.418 28.738 0.009 0.000 1.213 166 Q HN 0.722 nan 8.270 nan 0.000 0.428 167 E N 1.160 121.385 120.200 0.041 0.000 2.248 167 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 167 E C -1.322 175.279 176.600 0.002 0.000 0.877 167 E CA -0.427 55.984 56.400 0.017 0.000 0.759 167 E CB 1.614 31.371 29.700 0.095 0.000 1.182 167 E HN 0.378 nan 8.360 nan 0.000 0.418 168 T N 3.436 117.902 114.554 -0.147 0.000 2.837 168 T HA 0.357 4.707 4.350 -0.000 0.000 0.285 168 T C -1.269 173.231 174.700 -0.334 0.000 0.984 168 T CA -0.086 61.931 62.100 -0.139 0.000 1.049 168 T CB 0.287 69.090 68.868 -0.108 0.000 0.947 168 T HN 0.328 nan 8.240 nan 0.000 0.472 169 Y N 3.262 123.566 120.300 0.007 0.000 2.609 169 Y HA 0.301 4.851 4.550 -0.000 0.000 0.350 169 Y C -2.349 173.561 175.900 0.017 0.000 1.050 169 Y CA -2.246 55.862 58.100 0.012 0.000 1.290 169 Y CB 1.120 39.589 38.460 0.014 0.000 1.094 169 Y HN 0.496 nan 8.280 nan 0.000 0.583 170 P HA 0.193 nan 4.420 nan 0.000 0.269 170 P C -0.683 176.678 177.300 0.102 0.000 1.215 170 P CA 0.039 63.189 63.100 0.084 0.000 0.780 170 P CB 1.142 32.870 31.700 0.046 0.000 0.898 171 L N 2.717 123.995 121.223 0.090 0.000 2.401 171 L HA 0.485 4.825 4.340 -0.000 0.000 0.266 171 L C -2.131 174.782 176.870 0.073 0.000 0.991 171 L CA -2.345 52.547 54.840 0.086 0.000 0.818 171 L CB 2.172 44.287 42.059 0.093 0.000 1.321 171 L HN 0.282 nan 8.230 nan 0.000 0.413 172 P HA 0.121 nan 4.420 nan 0.000 0.267 172 P C -2.591 174.741 177.300 0.053 0.000 1.200 172 P CA -0.923 62.207 63.100 0.050 0.000 0.772 172 P CB -0.355 31.370 31.700 0.041 0.000 0.855 173 P HA -0.004 nan 4.420 nan 0.000 0.265 173 P C 0.792 178.116 177.300 0.040 0.000 1.193 173 P CA 0.784 63.911 63.100 0.044 0.000 0.765 173 P CB 0.053 31.772 31.700 0.032 0.000 0.823 174 G N 1.160 109.986 108.800 0.044 0.000 2.160 174 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.251 174 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.251 174 G C -0.137 174.786 174.900 0.040 0.000 1.008 174 G CA -0.010 45.113 45.100 0.038 0.000 0.724 174 G HN 0.569 nan 8.290 nan 0.000 0.514 175 V N 1.307 121.251 119.914 0.050 0.000 2.555 175 V HA 0.600 4.719 4.120 -0.000 0.000 0.302 175 V C -0.055 176.072 176.094 0.054 0.000 1.038 175 V CA -0.379 61.948 62.300 0.045 0.000 0.887 175 V CB 1.999 33.847 31.823 0.042 0.000 0.991 175 V HN 0.474 nan 8.190 nan 0.000 0.434 176 D N 3.081 123.505 120.400 0.039 0.000 2.277 176 D HA 0.695 5.335 4.640 -0.000 0.000 0.250 176 D C -0.075 176.236 176.300 0.019 0.000 1.032 176 D CA -0.498 53.523 54.000 0.035 0.000 0.947 176 D CB 1.823 42.635 40.800 0.019 0.000 1.159 176 D HN 0.685 nan 8.370 nan 0.000 0.460 177 A N 0.539 123.360 122.820 0.002 0.000 2.294 177 A HA 0.532 4.852 4.320 -0.000 0.000 0.330 177 A C 0.613 178.164 177.584 -0.054 0.000 1.133 177 A CA -0.868 51.155 52.037 -0.023 0.000 0.836 177 A CB 0.539 19.522 19.000 -0.028 0.000 1.190 177 A HN 0.621 nan 8.150 nan 0.000 0.492 178 L N 0.806 121.996 121.223 -0.054 0.000 2.628 178 L HA 0.228 4.568 4.340 -0.000 0.000 0.229 178 L C -0.607 176.216 176.870 -0.078 0.000 1.137 178 L CA 0.202 55.007 54.840 -0.059 0.000 0.909 178 L CB -0.114 41.917 42.059 -0.045 0.000 1.137 178 L HN 0.353 nan 8.230 nan 0.000 0.470 179 V N -0.306 119.546 119.914 -0.102 0.000 2.789 179 V HA 0.364 4.484 4.120 -0.000 0.000 0.311 179 V C 0.057 176.030 176.094 -0.201 0.000 1.073 179 V CA -1.104 61.125 62.300 -0.119 0.000 0.921 179 V CB 2.506 34.275 31.823 -0.091 0.000 1.009 179 V HN 0.024 nan 8.190 nan 0.000 0.426 180 K N 1.302 121.583 120.400 -0.199 0.000 2.525 180 K HA 0.223 4.543 4.320 -0.000 0.000 0.262 180 K C 1.068 177.482 176.600 -0.311 0.000 1.049 180 K CA -0.483 55.627 56.287 -0.295 0.000 0.961 180 K CB 0.404 32.803 32.500 -0.169 0.000 1.258 180 K HN 0.650 nan 8.250 nan 0.000 0.501 181 D N 0.268 120.532 120.400 -0.226 0.000 2.127 181 D HA -0.141 4.499 4.640 -0.000 0.000 0.190 181 D C 0.845 177.231 176.300 0.143 0.000 1.000 181 D CA 1.773 55.880 54.000 0.179 0.000 0.839 181 D CB 0.020 40.951 40.800 0.219 0.000 0.955 181 D HN 0.727 nan 8.370 nan 0.000 0.446 182 G N 0.496 109.323 108.800 0.045 0.000 4.683 182 G HA2 0.079 4.039 3.960 -0.000 0.000 0.273 182 G HA3 0.079 4.039 3.960 -0.000 0.000 0.273 182 G C -0.203 174.691 174.900 -0.009 0.000 1.065 182 G CA -0.386 44.731 45.100 0.028 0.000 0.837 182 G HN 0.101 nan 8.290 nan 0.000 0.526 183 E N 1.592 121.773 120.200 -0.032 0.000 2.415 183 E HA 0.049 4.398 4.350 -0.000 0.000 0.263 183 E C -0.187 176.387 176.600 -0.044 0.000 0.995 183 E CA -0.264 56.108 56.400 -0.046 0.000 0.915 183 E CB 0.556 30.216 29.700 -0.066 0.000 0.951 183 E HN 0.129 nan 8.360 nan 0.000 0.449 184 E N 2.694 122.866 120.200 -0.046 0.000 2.558 184 E HA 0.006 4.355 4.350 -0.000 0.000 0.255 184 E C -0.749 175.823 176.600 -0.047 0.000 0.968 184 E CA 0.308 56.679 56.400 -0.047 0.000 0.939 184 E CB 0.986 30.656 29.700 -0.050 0.000 0.921 184 E HN 0.213 nan 8.360 nan 0.000 0.477 185 V N 4.685 124.571 119.914 -0.046 0.000 2.407 185 V HA 0.191 4.311 4.120 -0.000 0.000 0.291 185 V C 0.326 176.392 176.094 -0.047 0.000 1.018 185 V CA -0.756 61.512 62.300 -0.053 0.000 0.842 185 V CB 1.794 33.577 31.823 -0.067 0.000 0.996 185 V HN 0.353 nan 8.190 nan 0.000 0.426 186 V N 3.624 123.512 119.914 -0.044 0.000 2.863 186 V HA 0.359 4.478 4.120 -0.000 0.000 0.307 186 V C 0.539 176.611 176.094 -0.036 0.000 1.061 186 V CA -1.106 61.173 62.300 -0.034 0.000 1.024 186 V CB 1.575 33.381 31.823 -0.029 0.000 1.049 186 V HN 0.832 nan 8.190 nan 0.000 0.471 187 K N 1.590 121.975 120.400 -0.024 0.000 2.402 187 K HA 0.294 4.614 4.320 -0.000 0.000 0.279 187 K C 1.018 177.605 176.600 -0.022 0.000 1.082 187 K CA 1.085 57.360 56.287 -0.019 0.000 1.080 187 K CB -0.517 31.980 32.500 -0.005 0.000 0.899 187 K HN 1.109 nan 8.250 nan 0.000 0.469 188 G N 2.509 111.290 108.800 -0.031 0.000 2.231 188 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.206 188 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.206 188 G C -0.012 174.865 174.900 -0.039 0.000 0.996 188 G CA -0.095 44.988 45.100 -0.028 0.000 0.645 188 G HN 0.635 nan 8.290 nan 0.000 0.498 189 Q N 1.042 120.811 119.800 -0.051 0.000 2.392 189 Q HA 0.301 4.641 4.340 -0.000 0.000 0.262 189 Q C -0.352 175.605 176.000 -0.072 0.000 1.003 189 Q CA 0.152 55.921 55.803 -0.057 0.000 0.888 189 Q CB 0.295 28.996 28.738 -0.061 0.000 1.260 189 Q HN 0.531 nan 8.270 nan 0.000 0.435 190 E N 4.327 124.491 120.200 -0.061 0.000 1.996 190 E HA 0.069 4.419 4.350 -0.000 0.000 0.280 190 E C 0.434 176.990 176.600 -0.073 0.000 1.092 190 E CA -0.152 56.211 56.400 -0.062 0.000 0.862 190 E CB 0.624 30.300 29.700 -0.040 0.000 1.066 190 E HN 0.618 nan 8.360 nan 0.000 0.396 191 L N 2.284 123.444 121.223 -0.105 0.000 2.549 191 L HA 0.007 4.347 4.340 -0.000 0.000 0.229 191 L C 0.658 177.494 176.870 -0.057 0.000 1.158 191 L CA 0.355 55.132 54.840 -0.105 0.000 0.842 191 L CB -0.066 41.884 42.059 -0.181 0.000 0.952 191 L HN 0.549 nan 8.230 nan 0.000 0.452 192 A N -2.119 120.676 122.820 -0.042 0.000 2.490 192 A HA 0.373 4.693 4.320 -0.000 0.000 0.292 192 A C -2.205 175.372 177.584 -0.011 0.000 1.047 192 A CA -0.766 51.262 52.037 -0.015 0.000 0.632 192 A CB -0.033 18.972 19.000 0.008 0.000 1.323 192 A HN -0.217 nan 8.150 nan 0.000 0.448 193 P HA -0.159 nan 4.420 nan 0.000 0.214 193 P C 1.449 178.752 177.300 0.005 0.000 1.169 193 P CA 2.645 65.746 63.100 0.001 0.000 0.908 193 P CB -0.075 31.629 31.700 0.006 0.000 0.791 194 G N -0.861 107.948 108.800 0.014 0.000 2.683 194 G HA2 0.151 4.111 3.960 -0.000 0.000 0.213 194 G HA3 0.151 4.111 3.960 -0.000 0.000 0.213 194 G C 0.455 175.370 174.900 0.024 0.000 1.142 194 G CA 0.113 45.224 45.100 0.020 0.000 0.793 194 G HN 0.226 nan 8.290 nan 0.000 0.534 195 V N 0.632 120.557 119.914 0.019 0.000 2.547 195 V HA 0.653 4.773 4.120 -0.000 0.000 0.299 195 V C -0.475 175.596 176.094 -0.037 0.000 1.040 195 V CA -0.856 61.454 62.300 0.017 0.000 0.913 195 V CB 1.837 33.685 31.823 0.041 0.000 0.992 195 V HN -0.073 nan 8.190 nan 0.000 0.449 196 V N 1.996 121.881 119.914 -0.047 0.000 2.760 196 V HA 0.482 4.601 4.120 -0.000 0.000 0.309 196 V C -0.031 175.987 176.094 -0.126 0.000 1.077 196 V CA -0.501 61.751 62.300 -0.080 0.000 0.910 196 V CB 2.270 34.073 31.823 -0.034 0.000 1.008 196 V HN 0.908 nan 8.190 nan 0.000 0.424 197 S N 3.194 118.785 115.700 -0.183 0.000 2.601 197 S HA 0.425 4.895 4.470 -0.000 0.000 0.271 197 S C 0.872 175.437 174.600 -0.058 0.000 1.305 197 S CA -0.769 57.308 58.200 -0.205 0.000 1.022 197 S CB 1.181 64.241 63.200 -0.234 0.000 0.940 197 S HN 0.688 nan 8.310 nan 0.000 0.525 198 R N -0.056 120.448 120.500 0.007 0.000 2.282 198 R HA 0.384 4.724 4.340 -0.000 0.000 0.195 198 R C -0.177 176.142 176.300 0.032 0.000 0.909 198 R CA 0.192 56.315 56.100 0.040 0.000 1.039 198 R CB -0.046 30.304 30.300 0.084 0.000 1.015 198 R HN 0.477 nan 8.270 nan 0.000 0.513 199 L N 0.197 121.436 121.223 0.027 0.000 2.415 199 L HA 0.340 4.680 4.340 -0.000 0.000 0.256 199 L C -1.025 175.850 176.870 0.008 0.000 1.010 199 L CA -0.767 54.088 54.840 0.026 0.000 0.826 199 L CB 2.724 44.812 42.059 0.049 0.000 1.405 199 L HN -0.140 nan 8.230 nan 0.000 0.410 200 D N 1.025 121.429 120.400 0.007 0.000 2.382 200 D HA 0.515 5.154 4.640 -0.000 0.000 0.240 200 D C 0.142 176.444 176.300 0.003 0.000 1.146 200 D CA 1.253 55.252 54.000 -0.003 0.000 0.897 200 D CB 1.537 42.336 40.800 -0.001 0.000 1.197 200 D HN 0.800 nan 8.370 nan 0.000 0.432 201 G N -0.247 108.548 108.800 -0.008 0.000 2.351 201 G HA2 0.165 4.125 3.960 -0.000 0.000 0.279 201 G HA3 0.165 4.125 3.960 -0.000 0.000 0.279 201 G C -1.574 173.319 174.900 -0.012 0.000 1.297 201 G CA -0.669 44.430 45.100 -0.002 0.000 0.886 201 G HN 0.379 nan 8.290 nan 0.000 0.493 202 V N 0.746 120.660 119.914 -0.001 0.000 2.398 202 V HA 0.697 4.817 4.120 -0.000 0.000 0.286 202 V C 0.669 176.771 176.094 0.013 0.000 1.026 202 V CA -0.039 62.260 62.300 -0.003 0.000 0.868 202 V CB 1.208 33.031 31.823 0.001 0.000 0.982 202 V HN 1.694 nan 8.190 nan 0.000 0.443 203 A N 5.550 128.373 122.820 0.004 0.000 2.621 203 A HA 0.604 4.923 4.320 -0.000 0.000 0.329 203 A C -0.427 177.187 177.584 0.050 0.000 1.458 203 A CA -0.325 51.721 52.037 0.016 0.000 1.052 203 A CB -0.083 18.904 19.000 -0.022 0.000 1.142 203 A HN 0.724 nan 8.150 nan 0.000 0.523 204 L N 2.586 123.845 121.223 0.060 0.000 2.483 204 L HA 0.407 4.747 4.340 -0.000 0.000 0.275 204 L C -0.170 176.766 176.870 0.110 0.000 1.220 204 L CA 0.519 55.398 54.840 0.065 0.000 0.833 204 L CB 0.242 42.312 42.059 0.018 0.000 1.102 204 L HN 0.645 nan 8.230 nan 0.000 0.490 205 Y N 2.909 123.162 120.300 -0.078 0.000 2.524 205 Y HA 0.535 5.085 4.550 -0.000 0.000 0.347 205 Y C 0.487 176.256 175.900 -0.218 0.000 1.005 205 Y CA -0.971 57.064 58.100 -0.108 0.000 1.025 205 Y CB 1.095 39.512 38.460 -0.071 0.000 1.275 205 Y HN 0.552 nan 8.280 nan 0.000 0.460 206 R N 2.617 122.565 120.500 -0.921 0.000 2.065 206 R HA 0.144 4.484 4.340 -0.000 0.000 0.224 206 R C -0.612 174.605 176.300 -1.806 0.000 1.161 206 R CA 1.314 56.569 56.100 -1.409 0.000 0.923 206 R CB -0.654 28.822 30.300 -1.373 0.000 0.822 206 R HN 0.704 nan 8.270 nan 0.000 0.437 391 A N 0.133 123.103 122.820 0.251 0.000 1.944 391 A HA 0.591 4.911 4.320 -0.000 0.000 0.207 391 A C 0.704 178.377 177.584 0.147 0.000 1.265 391 A CA 1.363 53.546 52.037 0.244 0.000 0.712 391 A CB -0.301 18.981 19.000 0.470 0.000 0.915 391 A HN 0.590 nan 8.150 nan 0.000 0.470 392 S N -1.852 113.896 115.700 0.080 0.000 2.587 392 S HA 0.612 5.082 4.470 -0.000 0.000 0.269 392 S C -1.686 172.951 174.600 0.062 0.000 1.154 392 S CA -0.407 57.835 58.200 0.071 0.000 0.824 392 S CB 1.289 64.518 63.200 0.049 0.000 1.118 392 S HN 0.207 nan 8.310 nan 0.000 0.462 393 I N 1.993 122.624 120.570 0.102 0.000 2.466 393 I HA 0.460 4.629 4.170 -0.000 0.000 0.289 393 I C -1.171 175.022 176.117 0.128 0.000 1.026 393 I CA -0.397 60.970 61.300 0.112 0.000 1.078 393 I CB 1.624 39.686 38.000 0.103 0.000 1.249 393 I HN 0.538 nan 8.210 nan 0.000 0.429 394 L N 5.860 127.136 121.223 0.089 0.000 2.294 394 L HA 0.751 5.091 4.340 -0.000 0.000 0.283 394 L C -0.622 176.311 176.870 0.105 0.000 1.015 394 L CA -1.027 53.877 54.840 0.106 0.000 0.831 394 L CB 1.116 43.200 42.059 0.041 0.000 1.217 394 L HN 0.132 nan 8.230 nan 0.000 0.420 395 V N 3.730 123.744 119.914 0.167 0.000 2.555 395 V HA 0.358 4.478 4.120 -0.000 0.000 0.286 395 V C 0.597 176.745 176.094 0.090 0.000 1.044 395 V CA -0.451 61.920 62.300 0.118 0.000 1.026 395 V CB 1.132 33.049 31.823 0.156 0.000 0.981 395 V HN 0.670 nan 8.190 nan 0.000 0.480 396 V N 1.953 121.901 119.914 0.057 0.000 2.604 396 V HA 0.624 4.743 4.120 -0.000 0.000 0.305 396 V C -0.128 175.991 176.094 0.042 0.000 1.043 396 V CA -1.364 60.964 62.300 0.047 0.000 0.888 396 V CB 1.677 33.521 31.823 0.036 0.000 0.995 396 V HN 0.717 nan 8.190 nan 0.000 0.429 397 K N 3.162 123.590 120.400 0.047 0.000 2.199 397 K HA 0.657 4.977 4.320 -0.000 0.000 0.226 397 K C -0.024 176.603 176.600 0.046 0.000 1.237 397 K CA 0.853 57.168 56.287 0.047 0.000 1.170 397 K CB -0.735 31.799 32.500 0.056 0.000 1.418 397 K HN 1.190 nan 8.250 nan 0.000 0.255 398 A N 2.070 124.908 122.820 0.030 0.000 2.532 398 A HA 0.814 5.133 4.320 -0.000 0.000 0.290 398 A C -1.023 176.549 177.584 -0.020 0.000 1.143 398 A CA -1.025 51.028 52.037 0.026 0.000 0.728 398 A CB 1.123 20.143 19.000 0.033 0.000 1.317 398 A HN 0.352 nan 8.150 nan 0.000 0.414 399 R N -0.479 119.992 120.500 -0.047 0.000 2.758 399 R HA 0.688 5.028 4.340 -0.000 0.000 0.265 399 R C -1.103 174.965 176.300 -0.388 0.000 1.016 399 R CA -0.899 55.067 56.100 -0.222 0.000 1.040 399 R CB 1.221 31.381 30.300 -0.233 0.000 1.152 399 R HN 0.405 nan 8.270 nan 0.000 0.503 400 V N 2.695 122.272 119.914 -0.562 0.000 2.417 400 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 400 V C -1.178 174.549 176.094 -0.612 0.000 1.024 400 V CA -0.582 61.462 62.300 -0.427 0.000 0.861 400 V CB 1.083 32.789 31.823 -0.195 0.000 0.985 400 V HN 0.571 nan 8.190 nan 0.000 0.436 401 Y N 5.429 125.757 120.300 0.046 0.000 2.646 401 Y HA 0.434 4.983 4.550 -0.001 0.000 0.334 401 Y C -2.429 173.542 175.900 0.118 0.000 1.004 401 Y CA -2.499 55.636 58.100 0.058 0.000 1.301 401 Y CB 1.299 39.780 38.460 0.035 0.000 1.093 401 Y HN 0.498 nan 8.280 nan 0.000 0.530 402 P HA 0.128 nan 4.420 nan 0.000 0.272 402 P C -0.855 176.612 177.300 0.280 0.000 1.230 402 P CA -0.031 63.186 63.100 0.196 0.000 0.788 402 P CB 0.521 32.260 31.700 0.064 0.000 0.949 403 F N -1.494 118.482 119.950 0.043 0.000 2.588 403 F HA 0.553 5.080 4.527 -0.001 0.000 0.310 403 F C 0.627 176.440 175.800 0.022 0.000 1.082 403 F CA -0.818 57.202 58.000 0.033 0.000 0.929 403 F CB 1.683 40.702 39.000 0.031 0.000 1.254 403 F HN 0.234 nan 8.300 nan 0.000 0.455 404 E N 1.248 121.469 120.200 0.035 0.000 2.216 404 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 404 E C -0.147 176.461 176.600 0.014 0.000 0.973 404 E CA 1.014 57.385 56.400 -0.048 0.000 0.851 404 E CB 0.236 29.934 29.700 -0.003 0.000 0.804 404 E HN 0.845 nan 8.360 nan 0.000 0.477 405 D N 0.048 120.545 120.400 0.162 0.000 3.061 405 D HA -0.031 4.609 4.640 -0.000 0.000 0.243 405 D C 0.476 176.932 176.300 0.260 0.000 1.572 405 D CA 0.378 54.474 54.000 0.161 0.000 1.269 405 D CB 0.492 41.349 40.800 0.095 0.000 1.023 405 D HN 0.038 nan 8.370 nan 0.000 0.280 406 D N -0.123 120.398 120.400 0.202 0.000 2.494 406 D HA 0.389 5.029 4.640 -0.000 0.000 0.256 406 D C -0.172 176.102 176.300 -0.043 0.000 1.197 406 D CA -0.440 53.632 54.000 0.118 0.000 1.096 406 D CB 1.076 41.904 40.800 0.047 0.000 1.191 406 D HN 0.194 nan 8.370 nan 0.000 0.608 407 V N -1.366 118.477 119.914 -0.119 0.000 3.087 407 V HA 0.400 4.519 4.120 -0.000 0.000 0.312 407 V C -1.208 174.800 176.094 -0.144 0.000 1.482 407 V CA -0.315 61.838 62.300 -0.244 0.000 1.015 407 V CB 1.438 33.059 31.823 -0.336 0.000 1.055 407 V HN 0.820 nan 8.190 nan 0.000 0.478 408 E N -1.054 119.059 120.200 -0.145 0.000 2.698 408 E HA 0.492 4.842 4.350 -0.000 0.000 0.185 408 E C 0.733 177.292 176.600 -0.068 0.000 0.702 408 E CA 0.811 57.155 56.400 -0.093 0.000 1.104 408 E CB 0.636 30.279 29.700 -0.095 0.000 1.831 408 E HN 0.302 nan 8.360 nan 0.000 0.370 409 V N -0.458 119.426 119.914 -0.051 0.000 2.214 409 V HA 0.022 4.141 4.120 -0.000 0.000 0.244 409 V C 1.265 177.339 176.094 -0.032 0.000 1.045 409 V CA 1.878 64.158 62.300 -0.034 0.000 0.993 409 V CB -0.621 31.189 31.823 -0.021 0.000 0.633 409 V HN 0.519 nan 8.190 nan 0.000 0.449 410 S N -3.137 112.544 115.700 -0.031 0.000 2.656 410 S HA 0.285 4.755 4.470 -0.000 0.000 0.265 410 S C -0.806 173.783 174.600 -0.019 0.000 1.132 410 S CA -0.384 57.801 58.200 -0.025 0.000 0.819 410 S CB 1.513 64.704 63.200 -0.015 0.000 1.119 410 S HN 0.335 nan 8.310 nan 0.000 0.476 411 T N 1.642 116.188 114.554 -0.012 0.000 2.817 411 T HA 0.579 4.929 4.350 -0.000 0.000 0.293 411 T C 1.170 175.867 174.700 -0.004 0.000 0.964 411 T CA 0.887 62.983 62.100 -0.005 0.000 1.085 411 T CB 0.662 69.529 68.868 -0.002 0.000 0.921 411 T HN 1.613 nan 8.240 nan 0.000 0.502 412 G N 3.563 112.363 108.800 -0.000 0.000 2.307 412 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.210 412 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.210 412 G C 0.018 174.919 174.900 0.002 0.000 1.005 412 G CA -0.097 45.000 45.100 -0.005 0.000 0.634 412 G HN 0.739 nan 8.290 nan 0.000 0.496 413 D N 0.706 121.112 120.400 0.010 0.000 2.361 413 D HA 0.590 5.230 4.640 -0.000 0.000 0.239 413 D C 0.827 177.165 176.300 0.064 0.000 1.200 413 D CA -0.033 53.983 54.000 0.026 0.000 0.915 413 D CB 0.464 41.275 40.800 0.018 0.000 1.170 413 D HN 0.289 nan 8.370 nan 0.000 0.444 414 R N 0.439 121.006 120.500 0.112 0.000 2.540 414 R HA 0.697 5.036 4.340 -0.000 0.000 0.287 414 R C -0.924 175.514 176.300 0.231 0.000 0.980 414 R CA -0.742 55.505 56.100 0.246 0.000 0.966 414 R CB 1.707 32.214 30.300 0.346 0.000 1.106 414 R HN 0.165 nan 8.270 nan 0.000 0.480 415 V N 0.707 120.715 119.914 0.157 0.000 3.007 415 V HA 0.884 5.003 4.120 -0.000 0.000 0.311 415 V C -0.471 175.428 176.094 -0.325 0.000 1.120 415 V CA -0.931 61.337 62.300 -0.054 0.000 0.980 415 V CB 2.082 33.868 31.823 -0.062 0.000 1.033 415 V HN 0.909 nan 8.190 nan 0.000 0.429 416 A N 3.405 125.991 122.820 -0.391 0.000 2.389 416 A HA 0.998 5.317 4.320 -0.000 0.000 0.293 416 A C -2.998 174.236 177.584 -0.583 0.000 1.186 416 A CA -2.145 49.468 52.037 -0.706 0.000 0.828 416 A CB 1.638 20.312 19.000 -0.544 0.000 1.369 416 A HN 0.625 nan 8.150 nan 0.000 0.446 417 P HA 0.370 nan 4.420 nan 0.000 0.270 417 P C 0.770 177.898 177.300 -0.287 0.000 1.242 417 P CA 1.820 64.665 63.100 -0.424 0.000 0.768 417 P CB 0.784 32.245 31.700 -0.399 0.000 0.820 418 G N 3.289 111.943 108.800 -0.243 0.000 2.491 418 G HA2 -0.181 3.778 3.960 -0.000 0.000 0.203 418 G HA3 -0.181 3.778 3.960 -0.000 0.000 0.203 418 G C -0.284 174.511 174.900 -0.175 0.000 1.052 418 G CA -0.557 44.433 45.100 -0.182 0.000 0.675 418 G HN 0.490 nan 8.290 nan 0.000 0.504 419 D N 1.651 121.941 120.400 -0.183 0.000 2.648 419 D HA 0.337 4.976 4.640 -0.000 0.000 0.229 419 D C 0.919 177.125 176.300 -0.157 0.000 1.119 419 D CA 0.314 54.225 54.000 -0.148 0.000 0.850 419 D CB 1.113 41.829 40.800 -0.140 0.000 1.169 419 D HN 0.373 nan 8.370 nan 0.000 0.489 420 V N 3.713 123.555 119.914 -0.120 0.000 2.655 420 V HA -0.011 4.109 4.120 -0.000 0.000 0.300 420 V C 1.395 177.414 176.094 -0.126 0.000 1.044 420 V CA 0.200 62.430 62.300 -0.117 0.000 1.095 420 V CB 0.855 32.629 31.823 -0.083 0.000 0.952 420 V HN 0.519 nan 8.190 nan 0.000 0.485 421 L N 3.555 124.692 121.223 -0.144 0.000 2.435 421 L HA 0.581 4.921 4.340 -0.000 0.000 0.195 421 L C 0.828 177.585 176.870 -0.188 0.000 1.072 421 L CA 1.027 55.776 54.840 -0.153 0.000 0.833 421 L CB 0.163 42.132 42.059 -0.150 0.000 1.081 421 L HN 0.779 nan 8.230 nan 0.000 0.485 422 A N -1.689 121.034 122.820 -0.161 0.000 2.557 422 A HA 0.471 4.791 4.320 -0.000 0.000 0.292 422 A C -1.263 176.309 177.584 -0.021 0.000 1.139 422 A CA -0.331 51.596 52.037 -0.185 0.000 0.665 422 A CB 0.602 19.282 19.000 -0.532 0.000 1.285 422 A HN 0.192 nan 8.150 nan 0.000 0.433 423 D N -0.315 120.120 120.400 0.058 0.000 2.689 423 D HA 0.058 4.697 4.640 -0.000 0.000 0.237 423 D C 1.012 177.334 176.300 0.037 0.000 1.148 423 D CA 3.154 57.212 54.000 0.097 0.000 0.656 423 D CB -1.533 39.353 40.800 0.143 0.000 1.050 423 D HN 2.237 nan 8.370 nan 0.000 0.426 424 G N -0.286 108.519 108.800 0.008 0.000 2.552 424 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.265 424 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.265 424 G C 1.039 175.927 174.900 -0.019 0.000 1.234 424 G CA 0.520 45.617 45.100 -0.006 0.000 0.944 424 G HN 1.039 nan 8.290 nan 0.000 0.568 425 G N 0.055 108.843 108.800 -0.020 0.000 3.279 425 G HA2 0.337 4.297 3.960 -0.000 0.000 0.230 425 G HA3 0.337 4.297 3.960 -0.000 0.000 0.230 425 G C 1.175 176.058 174.900 -0.029 0.000 1.230 425 G CA 1.374 46.455 45.100 -0.032 0.000 0.891 425 G HN 0.771 nan 8.290 nan 0.000 0.518 426 K N -0.174 120.219 120.400 -0.011 0.000 2.005 426 K HA 0.052 4.371 4.320 -0.000 0.000 0.206 426 K C 0.528 177.123 176.600 -0.008 0.000 1.044 426 K CA 0.497 56.785 56.287 0.000 0.000 0.942 426 K CB -0.028 32.487 32.500 0.025 0.000 0.727 426 K HN 0.061 nan 8.250 nan 0.000 0.439 427 V N 3.910 123.824 119.914 0.000 0.000 2.352 427 V HA 0.098 4.218 4.120 -0.000 0.000 0.253 427 V C -0.439 175.578 176.094 -0.128 0.000 1.083 427 V CA 0.121 62.413 62.300 -0.014 0.000 0.993 427 V CB 0.406 32.269 31.823 0.067 0.000 1.111 427 V HN 0.239 nan 8.190 nan 0.000 0.490 428 K N 2.698 122.975 120.400 -0.204 0.000 2.208 428 K HA 0.562 4.882 4.320 -0.000 0.000 0.247 428 K C 0.063 176.309 176.600 -0.589 0.000 0.953 428 K CA -0.480 55.631 56.287 -0.293 0.000 0.837 428 K CB 2.034 34.418 32.500 -0.194 0.000 1.131 428 K HN 0.511 nan 8.250 nan 0.000 0.431 429 S N 0.258 115.604 115.700 -0.589 0.000 2.614 429 S HA 0.079 4.549 4.470 -0.000 0.000 0.265 429 S C -0.051 174.266 174.600 -0.472 0.000 1.303 429 S CA -0.279 57.452 58.200 -0.783 0.000 1.000 429 S CB 0.397 63.347 63.200 -0.416 0.000 0.935 429 S HN 0.572 nan 8.310 nan 0.000 0.551 430 D N 0.407 120.655 120.400 -0.252 0.000 2.498 430 D HA 0.243 4.883 4.640 -0.000 0.000 0.223 430 D C -0.481 175.778 176.300 -0.068 0.000 1.125 430 D CA 0.424 54.381 54.000 -0.072 0.000 0.835 430 D CB 0.934 41.800 40.800 0.111 0.000 1.086 430 D HN 0.277 nan 8.370 nan 0.000 0.510 431 V N 0.483 120.365 119.914 -0.053 0.000 3.130 431 V HA 0.329 4.449 4.120 -0.000 0.000 0.310 431 V C -0.793 175.221 176.094 -0.133 0.000 1.158 431 V CA -1.083 61.182 62.300 -0.059 0.000 1.029 431 V CB 1.757 33.626 31.823 0.075 0.000 1.057 431 V HN -0.091 nan 8.190 nan 0.000 0.436 432 Y N 0.946 121.190 120.300 -0.094 0.000 2.425 432 Y HA 0.587 5.137 4.550 -0.001 0.000 0.331 432 Y C 0.953 176.827 175.900 -0.044 0.000 1.157 432 Y CA 1.274 59.245 58.100 -0.215 0.000 1.372 432 Y CB 1.126 39.440 38.460 -0.244 0.000 1.253 432 Y HN 0.912 nan 8.280 nan 0.000 0.536 433 G N 2.786 111.663 108.800 0.129 0.000 2.556 433 G HA2 0.281 4.241 3.960 -0.000 0.000 0.294 433 G HA3 0.281 4.241 3.960 -0.000 0.000 0.294 433 G C -1.730 173.264 174.900 0.157 0.000 1.516 433 G CA -1.163 44.036 45.100 0.165 0.000 0.824 433 G HN 0.422 nan 8.290 nan 0.000 0.535 434 R N -0.396 120.185 120.500 0.134 0.000 2.707 434 R HA 0.551 4.891 4.340 -0.000 0.000 0.270 434 R C -0.421 175.921 176.300 0.069 0.000 1.083 434 R CA -0.184 55.970 56.100 0.091 0.000 1.182 434 R CB 1.263 31.593 30.300 0.050 0.000 1.084 434 R HN 0.308 nan 8.270 nan 0.000 0.528 435 V N 2.162 122.104 119.914 0.047 0.000 2.555 435 V HA 0.297 4.417 4.120 -0.000 0.000 0.302 435 V C -0.930 175.179 176.094 0.025 0.000 1.038 435 V CA -0.606 61.716 62.300 0.037 0.000 0.887 435 V CB 1.932 33.767 31.823 0.020 0.000 0.991 435 V HN 0.721 nan 8.190 nan 0.000 0.434 436 E N 2.794 123.012 120.200 0.030 0.000 2.325 436 E HA 0.393 4.743 4.350 -0.000 0.000 0.248 436 E C -1.090 175.529 176.600 0.031 0.000 0.912 436 E CA -0.432 55.983 56.400 0.025 0.000 0.782 436 E CB 2.026 31.742 29.700 0.026 0.000 1.264 436 E HN 0.370 nan 8.360 nan 0.000 0.417 437 V N 3.400 123.327 119.914 0.021 0.000 2.276 437 V HA 0.064 4.184 4.120 -0.000 0.000 0.249 437 V C -0.075 176.052 176.094 0.055 0.000 1.160 437 V CA -0.257 62.060 62.300 0.027 0.000 1.042 437 V CB 0.024 31.841 31.823 -0.010 0.000 1.224 437 V HN 0.671 nan 8.190 nan 0.000 0.496 438 D N 4.469 124.916 120.400 0.077 0.000 2.336 438 D HA 0.217 4.856 4.640 -0.000 0.000 0.249 438 D C 0.773 177.143 176.300 0.117 0.000 1.213 438 D CA -0.068 53.979 54.000 0.079 0.000 0.870 438 D CB 1.771 42.611 40.800 0.067 0.000 1.076 438 D HN 0.416 nan 8.370 nan 0.000 0.483 439 L N 2.529 123.813 121.223 0.102 0.000 2.592 439 L HA 0.029 4.369 4.340 -0.000 0.000 0.227 439 L C 1.914 178.828 176.870 0.074 0.000 1.127 439 L CA -0.042 54.868 54.840 0.116 0.000 0.884 439 L CB 0.324 42.447 42.059 0.106 0.000 1.065 439 L HN 0.228 nan 8.230 nan 0.000 0.457 440 V N -0.559 119.394 119.914 0.065 0.000 2.951 440 V HA -0.052 4.067 4.120 -0.000 0.000 0.255 440 V C 1.898 178.026 176.094 0.057 0.000 1.088 440 V CA 1.224 63.558 62.300 0.057 0.000 1.109 440 V CB -0.365 31.491 31.823 0.055 0.000 0.724 440 V HN 0.439 nan 8.190 nan 0.000 0.471 441 R N -0.710 119.824 120.500 0.057 0.000 2.531 441 R HA 0.289 4.628 4.340 -0.000 0.000 0.316 441 R C 0.124 176.436 176.300 0.021 0.000 0.955 441 R CA -0.212 55.910 56.100 0.038 0.000 1.120 441 R CB 0.362 30.689 30.300 0.044 0.000 1.361 441 R HN 0.281 nan 8.270 nan 0.000 0.534 442 N N 0.862 119.586 118.700 0.039 0.000 2.705 442 N HA -0.171 4.569 4.740 -0.000 0.000 0.255 442 N C -1.213 174.335 175.510 0.064 0.000 1.008 442 N CA 1.017 54.066 53.050 -0.002 0.000 0.742 442 N CB -0.697 37.672 38.487 -0.198 0.000 0.906 442 N HN 0.125 nan 8.380 nan 0.000 0.541 443 V N -0.749 119.305 119.914 0.234 0.000 3.114 443 V HA 0.655 4.775 4.120 -0.000 0.000 0.308 443 V C -0.969 175.283 176.094 0.263 0.000 1.168 443 V CA -0.695 61.764 62.300 0.266 0.000 1.015 443 V CB 2.841 34.735 31.823 0.119 0.000 1.050 443 V HN -0.148 nan 8.190 nan 0.000 0.433 444 V N 5.586 125.637 119.914 0.229 0.000 2.409 444 V HA 0.549 4.669 4.120 -0.000 0.000 0.290 444 V C -0.140 176.049 176.094 0.159 0.000 1.017 444 V CA -0.666 61.719 62.300 0.141 0.000 0.841 444 V CB 1.702 33.564 31.823 0.064 0.000 1.003 444 V HN 0.937 nan 8.190 nan 0.000 0.426 445 R N 4.008 124.570 120.500 0.104 0.000 2.368 445 R HA 0.773 5.113 4.340 -0.000 0.000 0.302 445 R C -1.297 175.071 176.300 0.113 0.000 1.002 445 R CA -0.689 55.462 56.100 0.086 0.000 0.929 445 R CB 1.599 31.922 30.300 0.038 0.000 1.073 445 R HN 0.316 nan 8.270 nan 0.000 0.464 446 V N 4.319 124.329 119.914 0.161 0.000 2.275 446 V HA 0.134 4.254 4.120 -0.000 0.000 0.272 446 V C 0.390 176.553 176.094 0.116 0.000 1.028 446 V CA -0.981 61.404 62.300 0.142 0.000 0.810 446 V CB 1.012 32.940 31.823 0.175 0.000 1.043 446 V HN 0.688 nan 8.190 nan 0.000 0.453 447 V N 1.604 121.569 119.914 0.086 0.000 2.585 447 V HA 0.210 4.330 4.120 -0.000 0.000 0.296 447 V C 0.919 177.073 176.094 0.099 0.000 1.035 447 V CA -0.286 62.060 62.300 0.078 0.000 1.084 447 V CB 0.565 32.424 31.823 0.060 0.000 0.953 447 V HN 0.982 nan 8.190 nan 0.000 0.483 448 E N 3.905 124.164 120.200 0.099 0.000 2.413 448 E HA 0.017 4.367 4.350 -0.000 0.000 0.277 448 E C 0.053 176.735 176.600 0.137 0.000 1.114 448 E CA 0.556 57.029 56.400 0.122 0.000 1.111 448 E CB -0.472 29.291 29.700 0.104 0.000 1.066 448 E HN 1.058 nan 8.360 nan 0.000 0.454 449 S N 3.435 119.234 115.700 0.165 0.000 2.423 449 S HA 0.185 4.655 4.470 -0.000 0.000 0.213 449 S C -1.093 173.658 174.600 0.251 0.000 1.131 449 S CA -0.948 57.355 58.200 0.172 0.000 1.155 449 S CB 0.216 63.479 63.200 0.105 0.000 1.202 449 S HN 0.305 nan 8.310 nan 0.000 0.441 450 Y N 2.812 123.167 120.300 0.092 0.000 2.488 450 Y HA 0.544 5.094 4.550 -0.000 0.000 0.325 450 Y C 0.443 176.379 175.900 0.060 0.000 1.204 450 Y CA -1.033 57.110 58.100 0.071 0.000 1.229 450 Y CB 1.096 39.583 38.460 0.045 0.000 1.274 450 Y HN 0.842 nan 8.280 nan 0.000 0.493 451 D N 2.134 122.370 120.400 -0.274 0.000 2.354 451 D HA 0.332 4.971 4.640 -0.000 0.000 0.238 451 D C -0.570 175.728 176.300 -0.002 0.000 1.250 451 D CA 0.132 54.068 54.000 -0.107 0.000 0.911 451 D CB 0.568 41.236 40.800 -0.220 0.000 1.163 451 D HN 0.501 nan 8.370 nan 0.000 0.456 452 I N -2.585 118.050 120.570 0.109 0.000 3.066 452 I HA 0.501 4.671 4.170 -0.000 0.000 0.307 452 I C -2.193 173.961 176.117 0.061 0.000 1.366 452 I CA -0.884 60.459 61.300 0.073 0.000 0.972 452 I CB 1.922 39.992 38.000 0.116 0.000 1.307 452 I HN 0.506 nan 8.210 nan 0.000 0.470 453 D N 2.980 123.381 120.400 0.002 0.000 2.780 453 D HA 0.830 5.470 4.640 -0.000 0.000 0.242 453 D C -0.901 175.350 176.300 -0.081 0.000 1.135 453 D CA -0.011 53.974 54.000 -0.024 0.000 0.859 453 D CB 2.375 43.165 40.800 -0.017 0.000 1.530 453 D HN 1.020 nan 8.370 nan 0.000 0.493 454 A N 1.899 124.646 122.820 -0.121 0.000 2.562 454 A HA 0.468 4.788 4.320 -0.000 0.000 0.305 454 A C -0.661 176.824 177.584 -0.164 0.000 1.059 454 A CA -0.859 51.072 52.037 -0.176 0.000 0.835 454 A CB 1.227 20.040 19.000 -0.312 0.000 1.299 454 A HN 0.442 nan 8.150 nan 0.000 0.392 455 R N 0.679 121.113 120.500 -0.109 0.000 2.740 455 R HA 0.881 5.221 4.340 -0.000 0.000 0.223 455 R C -0.270 175.986 176.300 -0.074 0.000 1.362 455 R CA -0.761 55.294 56.100 -0.074 0.000 1.069 455 R CB 0.616 30.893 30.300 -0.038 0.000 1.739 455 R HN 0.791 nan 8.270 nan 0.000 0.533 456 M N -1.375 118.202 119.600 -0.037 0.000 2.572 456 M HA 0.605 5.085 4.480 -0.000 0.000 0.299 456 M C 0.199 176.506 176.300 0.012 0.000 1.205 456 M CA -0.557 54.731 55.300 -0.020 0.000 0.876 456 M CB 2.001 34.591 32.600 -0.015 0.000 1.728 456 M HN 0.753 nan 8.290 nan 0.000 0.458 457 G N 0.909 109.732 108.800 0.038 0.000 2.598 457 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.269 457 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.269 457 G C 0.730 175.700 174.900 0.116 0.000 1.289 457 G CA 0.770 45.916 45.100 0.076 0.000 0.926 457 G HN 1.698 nan 8.290 nan 0.000 0.567 458 A N -1.048 121.825 122.820 0.088 0.000 2.067 458 A HA -0.197 4.123 4.320 -0.000 0.000 0.224 458 A C 2.196 179.838 177.584 0.096 0.000 1.172 458 A CA 2.862 54.960 52.037 0.102 0.000 0.662 458 A CB -0.554 18.337 19.000 -0.182 0.000 0.814 458 A HN 0.955 nan 8.150 nan 0.000 0.468 459 E N -0.788 119.439 120.200 0.046 0.000 2.107 459 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 459 E C 2.178 178.794 176.600 0.027 0.000 0.982 459 E CA 0.754 57.172 56.400 0.029 0.000 0.809 459 E CB -0.206 29.501 29.700 0.011 0.000 0.756 459 E HN 0.630 nan 8.360 nan 0.000 0.459 460 A N 0.851 123.686 122.820 0.025 0.000 2.015 460 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 460 A C 1.910 179.493 177.584 -0.002 0.000 1.163 460 A CA 0.874 52.910 52.037 -0.001 0.000 0.646 460 A CB -0.239 18.751 19.000 -0.017 0.000 0.806 460 A HN 0.249 nan 8.150 nan 0.000 0.448 461 I N -0.373 120.214 120.570 0.028 0.000 2.584 461 I HA -0.130 4.039 4.170 -0.000 0.000 0.255 461 I C 2.423 178.553 176.117 0.022 0.000 1.145 461 I CA 1.268 62.573 61.300 0.008 0.000 1.462 461 I CB -1.646 36.362 38.000 0.014 0.000 1.102 461 I HN 0.557 nan 8.210 nan 0.000 0.433 462 Q N 0.976 120.806 119.800 0.051 0.000 2.135 462 Q HA -0.232 4.108 4.340 -0.000 0.000 0.204 462 Q C 2.218 178.227 176.000 0.015 0.000 0.981 462 Q CA 1.671 57.501 55.803 0.045 0.000 0.856 462 Q CB 0.136 28.907 28.738 0.055 0.000 0.902 462 Q HN 0.451 nan 8.270 nan 0.000 0.425 463 Q N 0.286 120.089 119.800 0.005 0.000 1.990 463 Q HA -0.130 4.209 4.340 -0.000 0.000 0.200 463 Q C 2.364 178.349 176.000 -0.025 0.000 0.980 463 Q CA 1.281 57.079 55.803 -0.008 0.000 0.832 463 Q CB -0.393 28.337 28.738 -0.013 0.000 0.897 463 Q HN 0.464 nan 8.270 nan 0.000 0.427 464 L N 0.601 121.805 121.223 -0.032 0.000 1.997 464 L HA -0.269 4.070 4.340 -0.000 0.000 0.216 464 L C 2.613 179.446 176.870 -0.063 0.000 1.074 464 L CA 1.224 56.036 54.840 -0.046 0.000 0.763 464 L CB -0.673 41.356 42.059 -0.049 0.000 0.890 464 L HN 0.251 nan 8.230 nan 0.000 0.434 465 L N -0.279 120.901 121.223 -0.070 0.000 2.043 465 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 465 L C 2.747 179.533 176.870 -0.140 0.000 1.075 465 L CA 1.630 56.398 54.840 -0.120 0.000 0.752 465 L CB -0.226 41.763 42.059 -0.117 0.000 0.891 465 L HN 0.289 nan 8.230 nan 0.000 0.432 466 K N -0.510 119.837 120.400 -0.089 0.000 2.097 466 K HA -0.192 4.128 4.320 -0.000 0.000 0.206 466 K C 1.846 178.404 176.600 -0.071 0.000 1.049 466 K CA 1.601 57.842 56.287 -0.076 0.000 0.933 466 K CB -0.040 32.449 32.500 -0.018 0.000 0.717 466 K HN 0.490 nan 8.250 nan 0.000 0.442 467 E N 0.739 120.903 120.200 -0.059 0.000 2.122 467 E HA 0.025 4.375 4.350 -0.000 0.000 0.190 467 E C 0.159 176.723 176.600 -0.060 0.000 0.977 467 E CA -0.111 56.259 56.400 -0.049 0.000 0.820 467 E CB 0.102 29.781 29.700 -0.036 0.000 0.770 467 E HN 0.147 nan 8.360 nan 0.000 0.462 468 L N 3.184 124.362 121.223 -0.075 0.000 2.810 468 L HA -0.090 4.250 4.340 -0.000 0.000 0.279 468 L C 0.129 176.951 176.870 -0.080 0.000 1.144 468 L CA 0.207 55.002 54.840 -0.076 0.000 0.998 468 L CB -0.153 41.848 42.059 -0.097 0.000 1.342 468 L HN 0.050 nan 8.230 nan 0.000 0.473 469 D N 5.048 125.416 120.400 -0.053 0.000 2.483 469 D HA 0.125 4.765 4.640 -0.000 0.000 0.220 469 D C 1.434 177.712 176.300 -0.037 0.000 1.173 469 D CA -0.184 53.789 54.000 -0.045 0.000 0.964 469 D CB 0.766 41.549 40.800 -0.028 0.000 1.046 469 D HN 0.429 nan 8.370 nan 0.000 0.517 470 L N 2.332 123.524 121.223 -0.051 0.000 2.026 470 L HA -0.343 3.997 4.340 -0.000 0.000 0.231 470 L C 2.320 179.187 176.870 -0.005 0.000 1.095 470 L CA 1.532 56.355 54.840 -0.028 0.000 0.810 470 L CB -0.999 41.044 42.059 -0.027 0.000 0.909 470 L HN 0.400 nan 8.230 nan 0.000 0.444 471 E N 1.000 121.197 120.200 -0.004 0.000 2.095 471 E HA -0.347 4.003 4.350 -0.000 0.000 0.212 471 E C 2.202 178.805 176.600 0.006 0.000 1.044 471 E CA 1.806 58.209 56.400 0.006 0.000 0.857 471 E CB -0.650 29.052 29.700 0.004 0.000 0.764 471 E HN 0.597 nan 8.360 nan 0.000 0.462 472 A N 1.628 124.448 122.820 -0.000 0.000 1.869 472 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 472 A C 2.387 179.974 177.584 0.004 0.000 1.203 472 A CA 2.052 54.090 52.037 0.001 0.000 0.638 472 A CB -0.837 18.160 19.000 -0.005 0.000 0.831 472 A HN 0.180 nan 8.150 nan 0.000 0.450 473 L N -0.236 120.987 121.223 0.001 0.000 2.191 473 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 473 L C 2.370 179.248 176.870 0.014 0.000 1.103 473 L CA 2.011 56.854 54.840 0.005 0.000 0.769 473 L CB -0.719 41.339 42.059 -0.001 0.000 0.908 473 L HN 0.619 nan 8.230 nan 0.000 0.438 474 E N 0.073 120.283 120.200 0.016 0.000 2.031 474 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 474 E C 2.048 178.663 176.600 0.025 0.000 0.994 474 E CA 1.475 57.888 56.400 0.023 0.000 0.800 474 E CB 0.130 29.845 29.700 0.024 0.000 0.752 474 E HN 0.473 nan 8.360 nan 0.000 0.447 475 K N 0.592 121.007 120.400 0.024 0.000 2.002 475 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 475 K C 2.236 178.857 176.600 0.036 0.000 1.048 475 K CA 1.623 57.928 56.287 0.030 0.000 0.930 475 K CB -0.189 32.326 32.500 0.024 0.000 0.714 475 K HN 0.119 nan 8.250 nan 0.000 0.438 476 E N 0.884 121.100 120.200 0.027 0.000 2.070 476 E HA -0.197 4.152 4.350 -0.000 0.000 0.197 476 E C 1.994 178.617 176.600 0.038 0.000 1.004 476 E CA 1.199 57.616 56.400 0.028 0.000 0.805 476 E CB -0.083 29.627 29.700 0.017 0.000 0.744 476 E HN 0.219 nan 8.360 nan 0.000 0.451 477 L N 0.502 121.743 121.223 0.031 0.000 2.093 477 L HA -0.176 4.163 4.340 -0.000 0.000 0.208 477 L C 2.395 179.286 176.870 0.036 0.000 1.085 477 L CA 0.598 55.456 54.840 0.030 0.000 0.755 477 L CB -0.356 41.716 42.059 0.022 0.000 0.904 477 L HN 0.245 nan 8.230 nan 0.000 0.435 478 L N -0.521 120.726 121.223 0.039 0.000 2.013 478 L HA -0.246 4.093 4.340 -0.000 0.000 0.212 478 L C 2.765 179.673 176.870 0.063 0.000 1.073 478 L CA 1.405 56.267 54.840 0.036 0.000 0.753 478 L CB -0.741 41.344 42.059 0.043 0.000 0.890 478 L HN 0.350 nan 8.230 nan 0.000 0.432 479 E N 0.090 120.374 120.200 0.140 0.000 2.015 479 E HA -0.250 4.100 4.350 -0.000 0.000 0.191 479 E C 1.988 178.792 176.600 0.340 0.000 0.991 479 E CA 1.228 57.833 56.400 0.341 0.000 0.802 479 E CB -0.283 29.521 29.700 0.174 0.000 0.759 479 E HN 0.376 nan 8.360 nan 0.000 0.447 480 E N 1.258 121.547 120.200 0.149 0.000 2.086 480 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 480 E C 2.104 178.737 176.600 0.055 0.000 1.012 480 E CA 1.448 57.904 56.400 0.094 0.000 0.812 480 E CB -0.339 29.391 29.700 0.050 0.000 0.743 480 E HN 0.213 nan 8.360 nan 0.000 0.453 481 M N -0.159 119.451 119.600 0.018 0.000 2.115 481 M HA -0.221 4.259 4.480 -0.000 0.000 0.258 481 M C 2.093 178.342 176.300 -0.084 0.000 1.071 481 M CA 1.990 57.274 55.300 -0.027 0.000 1.100 481 M CB -0.079 32.505 32.600 -0.027 0.000 1.292 481 M HN -0.049 nan 8.290 nan 0.000 0.415 482 K N -1.683 118.595 120.400 -0.204 0.000 2.459 482 K HA -0.052 4.267 4.320 -0.000 0.000 0.193 482 K C 1.166 177.537 176.600 -0.382 0.000 1.030 482 K CA 0.602 56.700 56.287 -0.314 0.000 1.026 482 K CB 0.133 32.389 32.500 -0.407 0.000 0.809 482 K HN 0.569 nan 8.250 nan 0.000 0.504 483 H N -0.410 118.659 119.070 -0.001 0.000 2.300 483 H HA 0.109 4.664 4.556 -0.001 0.000 0.322 483 H C -1.427 173.900 175.328 -0.003 0.000 1.088 483 H CA -0.323 55.724 56.048 -0.002 0.000 1.532 483 H CB -1.155 28.606 29.762 -0.001 0.000 1.488 483 H HN 0.020 nan 8.280 nan 0.000 0.607 484 P HA 0.025 nan 4.420 nan 0.000 0.278 484 P C 0.002 177.322 177.300 0.033 0.000 1.270 484 P CA 0.060 63.198 63.100 0.064 0.000 0.800 484 P CB 0.487 32.218 31.700 0.050 0.000 1.142 485 S N -0.563 115.150 115.700 0.021 0.000 2.598 485 S HA 0.066 4.535 4.470 -0.000 0.000 0.256 485 S C 1.420 176.022 174.600 0.005 0.000 1.350 485 S CA -0.313 57.893 58.200 0.010 0.000 0.984 485 S CB 0.063 63.267 63.200 0.007 0.000 0.930 485 S HN 0.289 nan 8.310 nan 0.000 0.577 486 R N 0.181 120.680 120.500 -0.001 0.000 2.237 486 R HA -0.058 4.282 4.340 -0.000 0.000 0.219 486 R C 2.171 178.469 176.300 -0.002 0.000 1.080 486 R CA 0.819 56.917 56.100 -0.004 0.000 0.995 486 R CB -0.480 29.816 30.300 -0.007 0.000 0.875 486 R HN 0.681 nan 8.270 nan 0.000 0.462 487 A N 1.922 124.741 122.820 -0.000 0.000 1.828 487 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 487 A C 2.034 179.618 177.584 0.000 0.000 1.203 487 A CA 1.651 53.687 52.037 -0.001 0.000 0.614 487 A CB -0.421 18.579 19.000 0.000 0.000 0.844 487 A HN 0.387 nan 8.150 nan 0.000 0.445 488 R N 0.059 120.561 120.500 0.003 0.000 2.161 488 R HA -0.038 4.302 4.340 -0.000 0.000 0.213 488 R C 2.142 178.446 176.300 0.006 0.000 1.055 488 R CA 1.100 57.202 56.100 0.005 0.000 0.996 488 R CB -0.455 29.850 30.300 0.008 0.000 0.901 488 R HN 0.667 nan 8.270 nan 0.000 0.456 489 R N 1.159 121.663 120.500 0.006 0.000 2.115 489 R HA 0.087 4.427 4.340 -0.000 0.000 0.230 489 R C 2.108 178.407 176.300 -0.002 0.000 1.111 489 R CA 1.216 57.318 56.100 0.003 0.000 0.976 489 R CB -0.370 29.928 30.300 -0.003 0.000 0.870 489 R HN 0.184 nan 8.270 nan 0.000 0.445 490 A N 2.092 124.911 122.820 -0.002 0.000 1.930 490 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 490 A C 2.186 179.769 177.584 -0.001 0.000 1.175 490 A CA 1.579 53.614 52.037 -0.003 0.000 0.627 490 A CB -0.462 18.536 19.000 -0.004 0.000 0.815 490 A HN 0.502 nan 8.150 nan 0.000 0.443 491 K N -0.082 120.317 120.400 -0.001 0.000 2.057 491 K HA -0.033 4.286 4.320 -0.000 0.000 0.207 491 K C 2.051 178.651 176.600 0.000 0.000 1.049 491 K CA 1.365 57.650 56.287 -0.002 0.000 0.931 491 K CB -0.387 32.111 32.500 -0.003 0.000 0.714 491 K HN 0.287 nan 8.250 nan 0.000 0.440 492 A N 1.921 124.742 122.820 0.003 0.000 1.933 492 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 492 A C 2.071 179.659 177.584 0.006 0.000 1.175 492 A CA 1.775 53.815 52.037 0.006 0.000 0.628 492 A CB -0.616 18.390 19.000 0.010 0.000 0.814 492 A HN 0.595 nan 8.150 nan 0.000 0.444 493 R N 0.551 121.054 120.500 0.004 0.000 2.080 493 R HA -0.122 4.217 4.340 -0.000 0.000 0.236 493 R C 2.005 178.310 176.300 0.009 0.000 1.137 493 R CA 2.172 58.276 56.100 0.007 0.000 0.943 493 R CB -0.721 29.582 30.300 0.005 0.000 0.846 493 R HN 0.382 nan 8.270 nan 0.000 0.431 494 K N 0.392 120.796 120.400 0.006 0.000 2.209 494 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 494 K C 2.203 178.803 176.600 0.001 0.000 1.048 494 K CA 1.548 57.837 56.287 0.003 0.000 0.940 494 K CB -0.077 32.422 32.500 -0.002 0.000 0.729 494 K HN 0.363 nan 8.250 nan 0.000 0.451 495 R N 0.330 120.832 120.500 0.003 0.000 2.119 495 R HA -0.062 4.277 4.340 -0.000 0.000 0.222 495 R C 2.271 178.579 176.300 0.013 0.000 1.088 495 R CA 0.514 56.617 56.100 0.006 0.000 0.984 495 R CB -0.106 30.197 30.300 0.005 0.000 0.884 495 R HN 0.133 nan 8.270 nan 0.000 0.447 496 L N 1.460 122.691 121.223 0.014 0.000 2.156 496 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 496 L C 1.608 178.488 176.870 0.016 0.000 1.095 496 L CA 1.751 56.602 54.840 0.019 0.000 0.770 496 L CB -0.395 41.676 42.059 0.019 0.000 0.914 496 L HN 0.180 nan 8.230 nan 0.000 0.439 497 E N -1.011 119.193 120.200 0.006 0.000 2.031 497 E HA -0.204 4.145 4.350 -0.000 0.000 0.193 497 E C 2.155 178.730 176.600 -0.042 0.000 0.994 497 E CA 1.850 58.245 56.400 -0.008 0.000 0.800 497 E CB -0.146 29.550 29.700 -0.007 0.000 0.752 497 E HN 0.359 nan 8.360 nan 0.000 0.447 498 V N 0.708 120.591 119.914 -0.051 0.000 2.250 498 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 498 V C 2.375 178.456 176.094 -0.021 0.000 1.060 498 V CA 1.888 64.125 62.300 -0.105 0.000 1.030 498 V CB -0.649 31.160 31.823 -0.023 0.000 0.643 498 V HN 0.182 nan 8.190 nan 0.000 0.445 499 V N 0.084 120.049 119.914 0.084 0.000 2.252 499 V HA -0.345 3.775 4.120 -0.000 0.000 0.249 499 V C 2.504 178.664 176.094 0.109 0.000 1.056 499 V CA 2.565 64.952 62.300 0.145 0.000 1.022 499 V CB -0.985 30.884 31.823 0.076 0.000 0.641 499 V HN 0.503 nan 8.190 nan 0.000 0.445 500 R N 1.148 121.673 120.500 0.042 0.000 2.127 500 R HA -0.203 4.137 4.340 -0.000 0.000 0.228 500 R C 2.314 178.619 176.300 0.008 0.000 1.125 500 R CA 2.354 58.470 56.100 0.027 0.000 0.904 500 R CB -1.459 28.849 30.300 0.013 0.000 0.831 500 R HN 0.414 nan 8.270 nan 0.000 0.431 501 A N -0.288 122.490 122.820 -0.070 0.000 1.935 501 A HA -0.297 4.023 4.320 -0.000 0.000 0.224 501 A C 2.402 179.910 177.584 -0.127 0.000 1.324 501 A CA 2.351 54.294 52.037 -0.158 0.000 0.686 501 A CB -1.368 17.431 19.000 -0.335 0.000 0.837 501 A HN 0.499 nan 8.150 nan 0.000 0.481 502 F N -0.569 119.350 119.950 -0.051 0.000 2.031 502 F HA -0.174 4.353 4.527 -0.001 0.000 0.295 502 F C 2.355 178.128 175.800 -0.046 0.000 1.133 502 F CA 1.522 59.481 58.000 -0.068 0.000 1.188 502 F CB -0.495 38.442 39.000 -0.104 0.000 0.974 502 F HN 0.139 nan 8.300 nan 0.000 0.473 503 L N -0.304 121.031 121.223 0.186 0.000 1.990 503 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 503 L C 2.064 178.977 176.870 0.071 0.000 1.072 503 L CA 1.441 56.337 54.840 0.094 0.000 0.755 503 L CB -0.771 41.329 42.059 0.068 0.000 0.889 503 L HN 0.116 nan 8.230 nan 0.000 0.432 504 D N -0.042 120.392 120.400 0.056 0.000 2.242 504 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 504 D C 2.304 178.630 176.300 0.044 0.000 1.005 504 D CA 2.026 56.050 54.000 0.040 0.000 0.856 504 D CB -0.144 40.669 40.800 0.021 0.000 1.001 504 D HN 0.166 nan 8.370 nan 0.000 0.452 505 S N -1.130 114.594 115.700 0.041 0.000 2.399 505 S HA 0.106 4.575 4.470 -0.000 0.000 0.231 505 S C 1.663 176.308 174.600 0.074 0.000 1.022 505 S CA 1.307 59.537 58.200 0.049 0.000 0.983 505 S CB 0.059 63.279 63.200 0.034 0.000 0.803 505 S HN 0.615 nan 8.310 nan 0.000 0.480 506 G N 1.589 110.443 108.800 0.090 0.000 3.626 506 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.241 506 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.241 506 G C -0.411 174.569 174.900 0.133 0.000 1.824 506 G CA -0.369 44.791 45.100 0.100 0.000 1.511 506 G HN 0.352 nan 8.290 nan 0.000 0.600 507 N N 2.918 121.720 118.700 0.170 0.000 1.960 507 N HA 0.057 4.797 4.740 -0.000 0.000 0.295 507 N C 0.775 176.386 175.510 0.168 0.000 1.364 507 N CA 0.873 54.071 53.050 0.246 0.000 0.887 507 N CB -0.055 38.592 38.487 0.267 0.000 1.226 507 N HN 0.574 nan 8.380 nan 0.000 0.492 508 R N 4.123 124.610 120.500 -0.023 0.000 2.641 508 R HA 0.072 4.412 4.340 -0.000 0.000 0.269 508 R C -1.090 174.576 176.300 -1.056 0.000 1.074 508 R CA -1.274 54.546 56.100 -0.466 0.000 1.133 508 R CB 0.310 30.318 30.300 -0.487 0.000 1.029 508 R HN 0.431 nan 8.270 nan 0.000 0.488 509 P HA -0.127 nan 4.420 nan 0.000 0.225 509 P C -0.020 176.778 177.300 -0.837 0.000 1.148 509 P CA 1.178 63.470 63.100 -1.346 0.000 0.779 509 P CB 0.347 30.899 31.700 -1.913 0.000 0.780 510 E N -0.105 119.496 120.200 -0.999 0.000 2.267 510 E HA -0.165 4.185 4.350 -0.000 0.000 0.197 510 E C 1.776 178.366 176.600 -0.018 0.000 0.998 510 E CA 1.276 57.370 56.400 -0.511 0.000 0.830 510 E CB -1.092 28.330 29.700 -0.463 0.000 0.751 510 E HN 0.575 nan 8.360 nan 0.000 0.491 511 W N 0.037 121.332 121.300 -0.007 0.000 2.611 511 W HA 0.001 4.661 4.660 -0.000 0.000 0.251 511 W C 1.732 178.320 176.519 0.115 0.000 1.265 511 W CA -0.406 56.966 57.345 0.045 0.000 1.295 511 W CB -0.325 29.169 29.460 0.057 0.000 1.129 511 W HN 0.016 nan 8.180 nan 0.000 0.630 512 M N 1.051 120.820 119.600 0.281 0.000 2.514 512 M HA -0.132 4.348 4.480 -0.000 0.000 0.259 512 M C 0.395 176.894 176.300 0.332 0.000 1.073 512 M CA 1.215 56.751 55.300 0.394 0.000 1.049 512 M CB -0.856 31.921 32.600 0.295 0.000 1.392 512 M HN 0.009 nan 8.290 nan 0.000 0.466 513 I N -1.588 119.132 120.570 0.250 0.000 2.353 513 I HA 0.335 4.505 4.170 -0.000 0.000 0.293 513 I C -0.560 175.643 176.117 0.143 0.000 0.992 513 I CA -0.657 60.754 61.300 0.185 0.000 1.268 513 I CB 0.576 38.666 38.000 0.150 0.000 1.387 513 I HN -0.121 nan 8.210 nan 0.000 0.478 514 L N 5.719 126.995 121.223 0.088 0.000 2.290 514 L HA 0.390 4.729 4.340 -0.000 0.000 0.284 514 L C 0.855 177.737 176.870 0.020 0.000 1.078 514 L CA 0.119 54.990 54.840 0.052 0.000 0.815 514 L CB 1.186 43.258 42.059 0.020 0.000 1.162 514 L HN 0.963 nan 8.230 nan 0.000 0.435 515 E N 2.156 122.364 120.200 0.013 0.000 2.535 515 E HA 0.281 4.630 4.350 -0.000 0.000 0.216 515 E C -0.036 176.560 176.600 -0.006 0.000 0.845 515 E CA -0.239 56.162 56.400 0.001 0.000 1.306 515 E CB 0.800 30.501 29.700 0.002 0.000 1.291 515 E HN 0.447 nan 8.360 nan 0.000 0.635 516 A N 1.616 124.429 122.820 -0.012 0.000 2.466 516 A HA 0.535 4.855 4.320 -0.000 0.000 0.291 516 A C -0.741 176.841 177.584 -0.003 0.000 1.234 516 A CA -0.642 51.392 52.037 -0.005 0.000 0.752 516 A CB 1.254 20.235 19.000 -0.031 0.000 1.153 516 A HN 0.069 nan 8.150 nan 0.000 0.458 517 V N 4.226 124.153 119.914 0.022 0.000 2.427 517 V HA 0.230 4.350 4.120 -0.000 0.000 0.268 517 V C -2.251 173.893 176.094 0.084 0.000 1.046 517 V CA -1.142 61.184 62.300 0.044 0.000 0.970 517 V CB 0.866 32.719 31.823 0.051 0.000 1.001 517 V HN 0.690 nan 8.190 nan 0.000 0.476 518 P HA 0.206 nan 4.420 nan 0.000 0.282 518 P C -0.539 176.871 177.300 0.184 0.000 1.262 518 P CA -0.110 63.049 63.100 0.098 0.000 0.773 518 P CB 0.811 32.545 31.700 0.057 0.000 0.879 519 V N 5.359 125.347 119.914 0.123 0.000 2.432 519 V HA 0.120 4.240 4.120 -0.000 0.000 0.275 519 V C 0.722 176.837 176.094 0.036 0.000 1.043 519 V CA -0.623 61.656 62.300 -0.035 0.000 0.925 519 V CB 0.786 32.522 31.823 -0.145 0.000 0.985 519 V HN 0.450 nan 8.190 nan 0.000 0.466 520 L N 8.558 129.773 121.223 -0.013 0.000 2.482 520 L HA 0.352 4.692 4.340 -0.000 0.000 0.273 520 L C -2.279 174.641 176.870 0.083 0.000 1.228 520 L CA -0.535 54.357 54.840 0.087 0.000 0.827 520 L CB 0.288 42.411 42.059 0.106 0.000 1.099 520 L HN 0.417 nan 8.230 nan 0.000 0.494 521 P HA 0.199 nan 4.420 nan 0.000 0.276 521 P C -2.311 174.926 177.300 -0.104 0.000 1.235 521 P CA -1.106 62.093 63.100 0.165 0.000 0.772 521 P CB 0.549 32.377 31.700 0.213 0.000 0.871 522 P HA -0.162 nan 4.420 nan 0.000 0.218 522 P C 0.788 178.061 177.300 -0.046 0.000 1.148 522 P CA 1.440 64.402 63.100 -0.230 0.000 0.822 522 P CB 0.005 31.514 31.700 -0.318 0.000 0.784 523 D N -1.616 118.750 120.400 -0.057 0.000 2.378 523 D HA -0.023 4.617 4.640 -0.000 0.000 0.227 523 D C 1.621 177.911 176.300 -0.016 0.000 1.012 523 D CA 0.513 54.492 54.000 -0.035 0.000 0.905 523 D CB -0.133 40.638 40.800 -0.050 0.000 0.895 523 D HN 0.154 nan 8.370 nan 0.000 0.532 524 L N 0.168 121.391 121.223 -0.002 0.000 2.127 524 L HA -0.022 4.317 4.340 -0.000 0.000 0.203 524 L C 1.396 178.280 176.870 0.022 0.000 1.080 524 L CA 0.877 55.728 54.840 0.018 0.000 0.768 524 L CB 0.137 42.219 42.059 0.038 0.000 0.924 524 L HN 0.014 nan 8.230 nan 0.000 0.444 539 D N 2.531 122.957 120.400 0.044 0.000 4.228 539 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 539 D C 1.726 178.053 176.300 0.046 0.000 1.356 539 D CA 2.451 56.474 54.000 0.038 0.000 0.871 539 D CB -0.610 40.207 40.800 0.028 0.000 0.889 539 D HN 0.519 nan 8.370 nan 0.000 0.585 540 L N 0.751 122.012 121.223 0.064 0.000 2.351 540 L HA -0.161 4.179 4.340 -0.000 0.000 0.220 540 L C 1.955 178.925 176.870 0.167 0.000 1.127 540 L CA 1.168 56.062 54.840 0.090 0.000 0.786 540 L CB -0.624 41.521 42.059 0.143 0.000 0.914 540 L HN 0.086 nan 8.230 nan 0.000 0.443 541 N N 0.095 118.874 118.700 0.132 0.000 2.106 541 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 541 N C 1.365 176.926 175.510 0.084 0.000 1.029 541 N CA 1.554 54.671 53.050 0.111 0.000 0.848 541 N CB -0.383 38.125 38.487 0.034 0.000 1.007 541 N HN 0.400 nan 8.380 nan 0.000 0.423 542 D N 1.388 121.816 120.400 0.047 0.000 2.133 542 D HA -0.127 4.513 4.640 -0.000 0.000 0.195 542 D C 2.201 178.505 176.300 0.006 0.000 0.997 542 D CA 0.724 54.737 54.000 0.022 0.000 0.840 542 D CB -0.484 40.324 40.800 0.012 0.000 0.947 542 D HN 0.288 nan 8.370 nan 0.000 0.452 543 L N -0.878 120.335 121.223 -0.018 0.000 2.093 543 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 543 L C 2.365 179.167 176.870 -0.113 0.000 1.085 543 L CA 0.862 55.647 54.840 -0.092 0.000 0.755 543 L CB -0.574 41.385 42.059 -0.166 0.000 0.904 543 L HN -0.028 nan 8.230 nan 0.000 0.435 544 Y N 0.695 120.969 120.300 -0.044 0.000 2.200 544 Y HA -0.146 4.404 4.550 -0.000 0.000 0.290 544 Y C 2.812 178.679 175.900 -0.054 0.000 1.137 544 Y CA 1.163 59.233 58.100 -0.051 0.000 1.163 544 Y CB -0.259 38.161 38.460 -0.066 0.000 0.988 544 Y HN 0.017 nan 8.280 nan 0.000 0.518 545 R N -0.388 120.172 120.500 0.101 0.000 2.091 545 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 545 R C 2.316 178.628 176.300 0.020 0.000 1.136 545 R CA 1.461 57.583 56.100 0.038 0.000 0.959 545 R CB -0.401 29.907 30.300 0.014 0.000 0.856 545 R HN 0.305 nan 8.270 nan 0.000 0.437 546 R N 0.634 121.136 120.500 0.003 0.000 2.113 546 R HA -0.197 4.142 4.340 -0.000 0.000 0.231 546 R C 2.397 178.689 176.300 -0.013 0.000 1.129 546 R CA 1.761 57.852 56.100 -0.014 0.000 0.915 546 R CB -0.693 29.586 30.300 -0.034 0.000 0.837 546 R HN 0.088 nan 8.270 nan 0.000 0.430 547 L N 1.220 122.429 121.223 -0.023 0.000 1.978 547 L HA -0.266 4.073 4.340 -0.000 0.000 0.218 547 L C 2.198 179.072 176.870 0.006 0.000 1.075 547 L CA 1.803 56.632 54.840 -0.018 0.000 0.767 547 L CB -0.543 41.496 42.059 -0.033 0.000 0.890 547 L HN 0.253 nan 8.230 nan 0.000 0.434 548 I N -0.413 120.176 120.570 0.032 0.000 2.113 548 I HA -0.405 3.764 4.170 -0.000 0.000 0.242 548 I C 2.289 178.409 176.117 0.005 0.000 1.064 548 I CA 2.145 63.458 61.300 0.022 0.000 1.320 548 I CB -1.526 36.489 38.000 0.025 0.000 1.028 548 I HN 0.496 nan 8.210 nan 0.000 0.406 549 N N 0.543 119.245 118.700 0.004 0.000 2.005 549 N HA -0.227 4.513 4.740 -0.000 0.000 0.199 549 N C 1.960 177.468 175.510 -0.003 0.000 1.054 549 N CA 1.632 54.681 53.050 -0.001 0.000 0.864 549 N CB -0.102 38.384 38.487 -0.002 0.000 1.063 549 N HN 0.342 nan 8.380 nan 0.000 0.428 550 R N 0.611 121.108 120.500 -0.005 0.000 2.096 550 R HA -0.175 4.165 4.340 -0.000 0.000 0.240 550 R C 2.014 178.310 176.300 -0.006 0.000 1.139 550 R CA 1.692 57.788 56.100 -0.006 0.000 0.952 550 R CB -0.753 29.542 30.300 -0.009 0.000 0.854 550 R HN 0.395 nan 8.270 nan 0.000 0.436 551 N N 0.988 119.684 118.700 -0.007 0.000 2.137 551 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 551 N C 1.203 176.708 175.510 -0.008 0.000 1.017 551 N CA 2.041 55.086 53.050 -0.008 0.000 0.859 551 N CB -0.193 38.290 38.487 -0.008 0.000 1.002 551 N HN 0.204 nan 8.380 nan 0.000 0.428 552 N N -0.419 118.277 118.700 -0.007 0.000 2.220 552 N HA 0.024 4.764 4.740 -0.000 0.000 0.182 552 N C 1.595 177.102 175.510 -0.005 0.000 1.023 552 N CA 0.569 53.614 53.050 -0.008 0.000 0.856 552 N CB -0.203 38.280 38.487 -0.007 0.000 0.997 552 N HN 0.217 nan 8.380 nan 0.000 0.429 553 R N 0.665 121.163 120.500 -0.004 0.000 2.127 553 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 553 R C 1.837 178.135 176.300 -0.002 0.000 1.134 553 R CA 1.012 57.111 56.100 -0.002 0.000 0.975 553 R CB -0.283 30.016 30.300 -0.002 0.000 0.865 553 R HN 0.242 nan 8.270 nan 0.000 0.447 554 L N 1.209 122.430 121.223 -0.003 0.000 2.044 554 L HA -0.084 4.255 4.340 -0.000 0.000 0.205 554 L C 1.793 178.661 176.870 -0.003 0.000 1.075 554 L CA 1.779 56.617 54.840 -0.003 0.000 0.747 554 L CB -0.370 41.687 42.059 -0.004 0.000 0.903 554 L HN 0.004 nan 8.230 nan 0.000 0.435 555 K N -0.012 120.385 120.400 -0.005 0.000 2.044 555 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 555 K C 2.121 178.719 176.600 -0.003 0.000 1.049 555 K CA 2.209 58.493 56.287 -0.005 0.000 0.927 555 K CB -0.272 32.224 32.500 -0.008 0.000 0.713 555 K HN 0.353 nan 8.250 nan 0.000 0.443 556 K N 0.798 121.196 120.400 -0.003 0.000 2.155 556 K HA -0.024 4.296 4.320 -0.000 0.000 0.203 556 K C 1.872 178.472 176.600 -0.001 0.000 1.052 556 K CA 0.652 56.938 56.287 -0.002 0.000 0.948 556 K CB 0.009 32.508 32.500 -0.001 0.000 0.728 556 K HN 0.055 nan 8.250 nan 0.000 0.448 557 L N 1.015 122.237 121.223 -0.000 0.000 2.622 557 L HA -0.062 4.278 4.340 -0.000 0.000 0.233 557 L C 1.354 178.225 176.870 0.001 0.000 1.156 557 L CA 0.455 55.295 54.840 0.001 0.000 0.866 557 L CB 0.025 42.084 42.059 0.001 0.000 0.980 557 L HN 0.190 nan 8.230 nan 0.000 0.448 558 L N -2.103 119.121 121.223 0.001 0.000 2.388 558 L HA 0.175 4.514 4.340 -0.000 0.000 0.209 558 L C 2.484 179.355 176.870 0.001 0.000 1.061 558 L CA 0.659 55.499 54.840 0.001 0.000 0.834 558 L CB -0.475 41.584 42.059 0.000 0.000 1.029 558 L HN 0.066 nan 8.230 nan 0.000 0.473 559 A N -0.610 122.210 122.820 0.000 0.000 2.030 559 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 559 A C 2.177 179.762 177.584 0.001 0.000 1.164 559 A CA 0.511 52.548 52.037 0.000 0.000 0.697 559 A CB -0.095 18.905 19.000 -0.001 0.000 0.827 559 A HN 0.355 nan 8.150 nan 0.000 0.457 560 Q N -0.545 119.255 119.800 0.001 0.000 1.965 560 Q HA 0.164 4.504 4.340 -0.000 0.000 0.200 560 Q C 0.766 176.767 176.000 0.002 0.000 0.981 560 Q CA 1.061 56.865 55.803 0.001 0.000 0.834 560 Q CB -0.076 28.663 28.738 0.001 0.000 0.900 560 Q HN 0.573 nan 8.270 nan 0.000 0.426 561 G N -0.860 107.942 108.800 0.002 0.000 2.715 561 G HA2 0.499 4.459 3.960 -0.000 0.000 0.297 561 G HA3 0.499 4.459 3.960 -0.000 0.000 0.297 561 G C -1.737 173.165 174.900 0.004 0.000 1.386 561 G CA -0.238 44.864 45.100 0.003 0.000 1.157 561 G HN 0.218 nan 8.290 nan 0.000 0.585 562 A N 3.258 126.081 122.820 0.005 0.000 2.880 562 A HA 0.743 5.062 4.320 -0.000 0.000 0.328 562 A C -2.401 175.187 177.584 0.007 0.000 1.440 562 A CA -1.249 50.792 52.037 0.006 0.000 1.068 562 A CB 0.197 19.201 19.000 0.007 0.000 1.163 562 A HN 0.351 nan 8.150 nan 0.000 0.510 563 P HA 0.208 nan 4.420 nan 0.000 0.292 563 P C 0.902 178.206 177.300 0.006 0.000 1.326 563 P CA -0.379 62.724 63.100 0.005 0.000 0.787 563 P CB 1.326 33.028 31.700 0.004 0.000 0.903 564 E N 2.879 123.084 120.200 0.007 0.000 2.068 564 E HA -0.212 4.138 4.350 -0.000 0.000 0.207 564 E C 1.537 178.141 176.600 0.006 0.000 1.032 564 E CA 1.775 58.180 56.400 0.008 0.000 0.839 564 E CB -0.359 29.347 29.700 0.010 0.000 0.758 564 E HN 0.486 nan 8.360 nan 0.000 0.457 565 I N 0.525 121.097 120.570 0.003 0.000 2.761 565 I HA -0.259 3.911 4.170 -0.000 0.000 0.266 565 I C 2.113 178.233 176.117 0.005 0.000 1.239 565 I CA 0.692 61.993 61.300 0.002 0.000 1.451 565 I CB -0.284 37.715 38.000 -0.001 0.000 1.096 565 I HN 0.110 nan 8.210 nan 0.000 0.465 566 I N -0.343 120.231 120.570 0.005 0.000 3.081 566 I HA -0.089 4.081 4.170 -0.000 0.000 0.274 566 I C 2.224 178.345 176.117 0.007 0.000 1.178 566 I CA 0.251 61.555 61.300 0.006 0.000 1.460 566 I CB -0.003 37.999 38.000 0.004 0.000 1.137 566 I HN 0.049 nan 8.210 nan 0.000 0.443 567 I N 1.247 121.821 120.570 0.007 0.000 2.202 567 I HA -0.238 3.931 4.170 -0.000 0.000 0.242 567 I C 2.651 178.773 176.117 0.009 0.000 1.091 567 I CA 1.585 62.890 61.300 0.007 0.000 1.368 567 I CB -1.329 36.676 38.000 0.008 0.000 1.058 567 I HN 0.290 nan 8.210 nan 0.000 0.410 568 R N 1.320 121.827 120.500 0.011 0.000 2.070 568 R HA -0.183 4.156 4.340 -0.000 0.000 0.232 568 R C 2.141 178.454 176.300 0.022 0.000 1.138 568 R CA 1.999 58.109 56.100 0.017 0.000 0.936 568 R CB -0.260 30.049 30.300 0.016 0.000 0.839 568 R HN 0.253 nan 8.270 nan 0.000 0.429 569 N N 0.215 118.926 118.700 0.019 0.000 2.133 569 N HA -0.232 4.507 4.740 -0.000 0.000 0.193 569 N C 1.494 177.016 175.510 0.020 0.000 1.012 569 N CA 1.942 55.004 53.050 0.020 0.000 0.871 569 N CB -0.097 38.398 38.487 0.013 0.000 1.011 569 N HN 0.307 nan 8.380 nan 0.000 0.435 570 E N 0.303 120.512 120.200 0.014 0.000 2.060 570 E HA 0.024 4.373 4.350 -0.000 0.000 0.189 570 E C 1.497 178.105 176.600 0.013 0.000 0.974 570 E CA 0.820 57.226 56.400 0.011 0.000 0.808 570 E CB 0.109 29.813 29.700 0.006 0.000 0.768 570 E HN 0.095 nan 8.360 nan 0.000 0.453 571 K N 0.686 121.094 120.400 0.013 0.000 2.089 571 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 571 K C 2.138 178.754 176.600 0.026 0.000 1.048 571 K CA 1.328 57.621 56.287 0.010 0.000 0.926 571 K CB -0.397 32.107 32.500 0.007 0.000 0.714 571 K HN 0.145 nan 8.250 nan 0.000 0.448 572 R N 0.455 120.983 120.500 0.046 0.000 2.127 572 R HA -0.079 4.260 4.340 -0.000 0.000 0.228 572 R C 2.642 178.985 176.300 0.071 0.000 1.125 572 R CA 2.100 58.252 56.100 0.086 0.000 0.904 572 R CB -0.537 29.812 30.300 0.082 0.000 0.831 572 R HN 0.144 nan 8.270 nan 0.000 0.431 573 M N 0.517 120.140 119.600 0.037 0.000 2.116 573 M HA -0.260 4.220 4.480 -0.000 0.000 0.255 573 M C 2.350 178.658 176.300 0.013 0.000 1.075 573 M CA 1.564 56.873 55.300 0.016 0.000 1.087 573 M CB -0.624 31.980 32.600 0.006 0.000 1.340 573 M HN 0.167 nan 8.290 nan 0.000 0.402 574 L N 0.549 121.780 121.223 0.013 0.000 1.971 574 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 574 L C 2.525 179.397 176.870 0.003 0.000 1.072 574 L CA 2.246 57.086 54.840 0.000 0.000 0.758 574 L CB -0.899 41.157 42.059 -0.004 0.000 0.889 574 L HN 0.304 nan 8.230 nan 0.000 0.433 575 Q N -0.206 119.611 119.800 0.029 0.000 2.135 575 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 575 Q C 2.059 178.133 176.000 0.123 0.000 0.981 575 Q CA 2.198 58.033 55.803 0.054 0.000 0.856 575 Q CB -0.187 28.607 28.738 0.094 0.000 0.902 575 Q HN 0.690 nan 8.270 nan 0.000 0.425 576 E N -0.547 119.711 120.200 0.098 0.000 2.072 576 E HA -0.162 4.187 4.350 -0.000 0.000 0.191 576 E C 1.917 178.498 176.600 -0.033 0.000 0.985 576 E CA 0.859 57.257 56.400 -0.003 0.000 0.801 576 E CB -0.250 29.416 29.700 -0.057 0.000 0.750 576 E HN 0.494 nan 8.360 nan 0.000 0.452 577 A N 1.091 123.892 122.820 -0.032 0.000 1.865 577 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 577 A C 2.537 180.069 177.584 -0.086 0.000 1.191 577 A CA 1.357 53.359 52.037 -0.059 0.000 0.623 577 A CB -0.878 18.093 19.000 -0.050 0.000 0.826 577 A HN 0.128 nan 8.150 nan 0.000 0.444 578 V N 0.889 120.758 119.914 -0.075 0.000 2.380 578 V HA -0.303 3.817 4.120 -0.000 0.000 0.251 578 V C 2.190 178.205 176.094 -0.131 0.000 1.063 578 V CA 2.374 64.609 62.300 -0.109 0.000 1.055 578 V CB -0.862 30.905 31.823 -0.094 0.000 0.657 578 V HN 0.539 nan 8.190 nan 0.000 0.455 579 D N 0.232 120.589 120.400 -0.072 0.000 2.084 579 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 579 D C 2.264 178.512 176.300 -0.088 0.000 0.990 579 D CA 1.648 55.615 54.000 -0.056 0.000 0.826 579 D CB -0.490 40.312 40.800 0.003 0.000 0.971 579 D HN 0.422 nan 8.370 nan 0.000 0.453 580 A N 2.067 124.832 122.820 -0.092 0.000 1.879 580 A HA -0.274 4.046 4.320 -0.000 0.000 0.222 580 A C 2.451 179.955 177.584 -0.133 0.000 1.368 580 A CA 2.891 54.867 52.037 -0.101 0.000 0.707 580 A CB -1.438 17.497 19.000 -0.108 0.000 0.846 580 A HN 0.431 nan 8.150 nan 0.000 0.468 581 L N -2.389 118.704 121.223 -0.216 0.000 2.191 581 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 581 L C 2.304 179.046 176.870 -0.214 0.000 1.103 581 L CA 1.370 56.038 54.840 -0.287 0.000 0.769 581 L CB -0.664 41.055 42.059 -0.568 0.000 0.908 581 L HN 0.402 nan 8.230 nan 0.000 0.438 582 L N -0.324 120.771 121.223 -0.214 0.000 1.971 582 L HA 0.067 4.406 4.340 -0.000 0.000 0.208 582 L C 0.628 177.478 176.870 -0.032 0.000 1.083 582 L CA 1.218 55.917 54.840 -0.235 0.000 0.753 582 L CB -0.266 41.560 42.059 -0.388 0.000 0.893 582 L HN 0.267 nan 8.230 nan 0.000 0.436 583 D N -0.265 120.156 120.400 0.035 0.000 2.386 583 D HA 0.157 4.796 4.640 -0.000 0.000 0.247 583 D C -1.204 175.130 176.300 0.057 0.000 1.336 583 D CA -0.370 53.709 54.000 0.131 0.000 0.976 583 D CB 0.723 41.681 40.800 0.264 0.000 1.257 583 D HN -0.089 nan 8.370 nan 0.000 0.570 584 N N 0.999 119.717 118.700 0.030 0.000 2.497 584 N HA 0.479 5.219 4.740 -0.000 0.000 0.271 584 N C 1.203 176.719 175.510 0.010 0.000 1.142 584 N CA 1.370 54.422 53.050 0.003 0.000 0.965 584 N CB 1.253 39.736 38.487 -0.007 0.000 1.077 584 N HN 0.670 nan 8.380 nan 0.000 0.462 585 G N 2.708 111.504 108.800 -0.007 0.000 2.307 585 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.210 585 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.210 585 G C 1.331 176.228 174.900 -0.005 0.000 1.005 585 G CA -0.171 44.925 45.100 -0.005 0.000 0.634 585 G HN 0.488 nan 8.290 nan 0.000 0.496 586 R N 0.483 120.987 120.500 0.008 0.000 2.139 586 R HA -0.023 4.316 4.340 -0.000 0.000 0.243 586 R C 1.384 177.677 176.300 -0.012 0.000 1.145 586 R CA 1.534 57.644 56.100 0.017 0.000 0.976 586 R CB -0.234 30.098 30.300 0.053 0.000 0.866 586 R HN 0.559 nan 8.270 nan 0.000 0.449 587 R N -0.240 120.228 120.500 -0.053 0.000 2.713 587 R HA 0.258 4.597 4.340 -0.000 0.000 0.282 587 R C -0.922 175.309 176.300 -0.115 0.000 1.472 587 R CA 0.458 56.491 56.100 -0.111 0.000 1.060 587 R CB 0.739 30.898 30.300 -0.235 0.000 1.237 587 R HN 0.288 nan 8.270 nan 0.000 0.484 588 G N 1.758 110.511 108.800 -0.078 0.000 2.856 588 G HA2 0.007 3.967 3.960 -0.000 0.000 0.674 588 G HA3 0.007 3.967 3.960 -0.000 0.000 0.674 588 G C -0.986 173.882 174.900 -0.053 0.000 1.519 588 G CA -0.315 44.746 45.100 -0.066 0.000 0.940 588 G HN 0.882 nan 8.290 nan 0.000 0.564 589 A N 1.690 124.486 122.820 -0.040 0.000 2.353 589 A HA 0.856 5.176 4.320 -0.000 0.000 0.299 589 A C -2.202 175.364 177.584 -0.030 0.000 1.089 589 A CA -1.140 50.879 52.037 -0.031 0.000 0.736 589 A CB 1.683 20.671 19.000 -0.020 0.000 1.195 589 A HN 0.741 nan 8.150 nan 0.000 0.447 590 P HA 0.431 nan 4.420 nan 0.000 0.276 590 P C -0.518 176.770 177.300 -0.021 0.000 1.230 590 P CA -0.154 62.928 63.100 -0.030 0.000 0.776 590 P CB 1.148 32.826 31.700 -0.037 0.000 0.888 591 V N -0.270 119.634 119.914 -0.018 0.000 2.823 591 V HA 0.550 4.669 4.120 -0.000 0.000 0.312 591 V C 0.108 176.196 176.094 -0.010 0.000 1.072 591 V CA -0.700 61.593 62.300 -0.012 0.000 0.937 591 V CB 1.618 33.434 31.823 -0.011 0.000 1.013 591 V HN 0.392 nan 8.190 nan 0.000 0.430 592 T N 3.190 117.740 114.554 -0.007 0.000 2.926 592 T HA 0.175 4.525 4.350 -0.000 0.000 0.307 592 T C 0.378 175.075 174.700 -0.005 0.000 1.059 592 T CA 0.354 62.452 62.100 -0.004 0.000 1.122 592 T CB 0.001 68.869 68.868 -0.001 0.000 0.972 592 T HN 0.889 nan 8.240 nan 0.000 0.545 593 N N 2.712 121.409 118.700 -0.005 0.000 2.395 593 N HA 0.155 4.895 4.740 -0.000 0.000 0.246 593 N C -2.461 173.047 175.510 -0.004 0.000 1.246 593 N CA -0.786 52.261 53.050 -0.005 0.000 0.879 593 N CB -0.044 38.440 38.487 -0.005 0.000 1.098 593 N HN 0.370 nan 8.380 nan 0.000 0.444 594 P HA -0.213 nan 4.420 nan 0.000 0.247 594 P C 0.388 177.686 177.300 -0.003 0.000 1.073 594 P CA 1.298 64.396 63.100 -0.003 0.000 0.773 594 P CB -0.220 31.478 31.700 -0.004 0.000 0.653 595 G N 1.189 109.988 108.800 -0.002 0.000 4.018 595 G HA2 0.067 4.027 3.960 -0.000 0.000 0.195 595 G HA3 0.067 4.027 3.960 -0.000 0.000 0.195 595 G C -0.484 174.416 174.900 -0.001 0.000 1.019 595 G CA 0.290 45.389 45.100 -0.001 0.000 0.871 595 G HN 0.887 nan 8.290 nan 0.000 0.339 596 S N 1.185 116.884 115.700 -0.001 0.000 2.652 596 S HA 0.478 4.947 4.470 -0.000 0.000 0.273 596 S C -2.013 172.586 174.600 -0.001 0.000 1.172 596 S CA -0.698 57.502 58.200 -0.000 0.000 1.009 596 S CB 1.916 65.117 63.200 0.001 0.000 1.094 596 S HN 0.057 nan 8.310 nan 0.000 0.471 597 D N 3.133 123.532 120.400 -0.002 0.000 2.688 597 D HA 0.125 4.765 4.640 -0.000 0.000 0.228 597 D C 0.417 176.716 176.300 -0.002 0.000 1.116 597 D CA 0.085 54.084 54.000 -0.003 0.000 1.023 597 D CB 0.072 40.870 40.800 -0.003 0.000 1.100 597 D HN 0.566 nan 8.370 nan 0.000 0.487 598 R N 0.957 121.456 120.500 -0.001 0.000 2.534 598 R HA 0.453 4.793 4.340 -0.000 0.000 0.301 598 R C -3.136 173.164 176.300 -0.001 0.000 0.961 598 R CA -1.824 54.277 56.100 0.001 0.000 0.871 598 R CB 1.706 32.008 30.300 0.003 0.000 1.170 598 R HN -0.211 nan 8.270 nan 0.000 0.446 599 P HA 0.057 nan 4.420 nan 0.000 0.267 599 P C -0.769 176.531 177.300 0.000 0.000 1.209 599 P CA -0.216 62.883 63.100 -0.002 0.000 0.763 599 P CB 0.431 32.131 31.700 0.001 0.000 0.816 600 L N 3.462 124.682 121.223 -0.005 0.000 2.534 600 L HA 0.113 4.453 4.340 -0.000 0.000 0.271 600 L C 1.308 178.178 176.870 0.001 0.000 1.178 600 L CA 0.345 55.183 54.840 -0.003 0.000 0.907 600 L CB -0.451 41.601 42.059 -0.012 0.000 1.164 600 L HN 0.294 nan 8.230 nan 0.000 0.482 601 R N 2.536 123.043 120.500 0.011 0.000 2.561 601 R HA 0.023 4.363 4.340 -0.000 0.000 0.347 601 R C -0.074 176.235 176.300 0.015 0.000 0.916 601 R CA 0.018 56.130 56.100 0.020 0.000 1.063 601 R CB 0.059 30.375 30.300 0.027 0.000 0.916 601 R HN 0.869 nan 8.270 nan 0.000 0.410 602 S N 3.761 119.472 115.700 0.017 0.000 2.632 602 S HA 0.126 4.595 4.470 -0.000 0.000 0.267 602 S C 1.684 176.306 174.600 0.038 0.000 1.276 602 S CA -1.006 57.198 58.200 0.007 0.000 0.998 602 S CB 1.051 64.258 63.200 0.011 0.000 0.953 602 S HN 0.572 nan 8.310 nan 0.000 0.547 603 L N 0.683 121.917 121.223 0.019 0.000 2.013 603 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 603 L C 2.834 179.792 176.870 0.146 0.000 1.073 603 L CA 1.738 56.605 54.840 0.046 0.000 0.753 603 L CB -1.321 40.722 42.059 -0.027 0.000 0.890 603 L HN 0.799 nan 8.230 nan 0.000 0.432 604 T N -1.173 113.528 114.554 0.245 0.000 2.652 604 T HA -0.241 4.108 4.350 -0.000 0.000 0.267 604 T C 1.574 176.412 174.700 0.230 0.000 1.039 604 T CA 1.630 63.976 62.100 0.410 0.000 1.153 604 T CB -0.370 68.774 68.868 0.459 0.000 0.863 604 T HN 0.344 nan 8.240 nan 0.000 0.428 605 D N 0.596 121.089 120.400 0.154 0.000 2.190 605 D HA -0.091 4.549 4.640 -0.000 0.000 0.200 605 D C 1.893 178.252 176.300 0.098 0.000 0.992 605 D CA 0.792 54.856 54.000 0.106 0.000 0.854 605 D CB -0.237 40.606 40.800 0.072 0.000 0.936 605 D HN 0.256 nan 8.370 nan 0.000 0.462 606 I N 0.323 120.950 120.570 0.095 0.000 3.111 606 I HA -0.099 4.070 4.170 -0.000 0.000 0.272 606 I C 1.942 178.099 176.117 0.068 0.000 1.268 606 I CA 0.619 61.962 61.300 0.070 0.000 1.467 606 I CB 0.143 38.174 38.000 0.052 0.000 1.087 606 I HN -0.051 nan 8.210 nan 0.000 0.467 607 L N -1.046 120.245 121.223 0.113 0.000 2.316 607 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 607 L C 1.417 178.401 176.870 0.190 0.000 1.070 607 L CA 0.424 55.320 54.840 0.094 0.000 0.820 607 L CB -0.440 41.724 42.059 0.175 0.000 0.992 607 L HN 0.277 nan 8.230 nan 0.000 0.466 608 S N -0.776 115.042 115.700 0.196 0.000 2.745 608 S HA 0.775 5.245 4.470 -0.000 0.000 0.292 608 S C 0.217 174.902 174.600 0.140 0.000 1.127 608 S CA 0.035 58.350 58.200 0.192 0.000 1.007 608 S CB 1.820 65.107 63.200 0.145 0.000 1.165 608 S HN 0.384 nan 8.310 nan 0.000 0.544 609 G N 0.488 109.362 108.800 0.125 0.000 2.712 609 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.683 609 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.683 609 G C 0.122 175.085 174.900 0.105 0.000 1.320 609 G CA 0.040 45.198 45.100 0.097 0.000 0.847 609 G HN 0.830 nan 8.290 nan 0.000 0.553 610 K N -0.049 120.401 120.400 0.084 0.000 2.000 610 K HA -0.171 4.149 4.320 -0.000 0.000 0.218 610 K C 1.687 178.335 176.600 0.080 0.000 1.053 610 K CA 2.317 58.654 56.287 0.082 0.000 0.946 610 K CB -0.213 32.324 32.500 0.061 0.000 0.723 610 K HN 0.670 nan 8.250 nan 0.000 0.446 611 Q N -0.237 119.604 119.800 0.068 0.000 2.824 611 Q HA 0.309 4.649 4.340 -0.000 0.000 0.371 611 Q C -0.009 176.032 176.000 0.069 0.000 1.071 611 Q CA -0.672 55.170 55.803 0.064 0.000 1.064 611 Q CB 1.558 30.325 28.738 0.047 0.000 1.332 611 Q HN 0.187 nan 8.270 nan 0.000 0.445 612 G N 0.863 109.717 108.800 0.090 0.000 2.849 612 G HA2 0.229 4.189 3.960 -0.000 0.000 0.174 612 G HA3 0.229 4.189 3.960 -0.000 0.000 0.174 612 G C 0.703 175.656 174.900 0.087 0.000 1.370 612 G CA -0.430 44.726 45.100 0.093 0.000 1.040 612 G HN 0.157 nan 8.290 nan 0.000 0.582 613 R N -1.420 119.128 120.500 0.079 0.000 2.167 613 R HA 0.213 4.553 4.340 -0.000 0.000 0.201 613 R C 2.146 178.497 176.300 0.085 0.000 1.024 613 R CA 0.133 56.255 56.100 0.035 0.000 1.053 613 R CB -0.689 29.579 30.300 -0.052 0.000 0.987 613 R HN 0.403 nan 8.270 nan 0.000 0.493 614 F N 1.386 121.400 119.950 0.106 0.000 2.365 614 F HA -0.024 4.503 4.527 -0.000 0.000 0.300 614 F C 2.180 178.033 175.800 0.087 0.000 1.090 614 F CA 0.875 58.939 58.000 0.106 0.000 1.408 614 F CB -0.066 39.011 39.000 0.129 0.000 1.060 614 F HN -0.131 nan 8.300 nan 0.000 0.534 615 R N 0.056 120.719 120.500 0.272 0.000 2.310 615 R HA -0.010 4.329 4.340 -0.000 0.000 0.202 615 R C 1.906 178.280 176.300 0.124 0.000 0.933 615 R CA 0.451 56.657 56.100 0.177 0.000 1.054 615 R CB -0.210 30.183 30.300 0.155 0.000 0.985 615 R HN 0.325 nan 8.270 nan 0.000 0.489 616 Q N -0.109 119.763 119.800 0.119 0.000 2.033 616 Q HA -0.014 4.326 4.340 -0.000 0.000 0.196 616 Q C 1.135 177.179 176.000 0.073 0.000 0.970 616 Q CA 1.938 57.790 55.803 0.080 0.000 0.828 616 Q CB -0.216 28.561 28.738 0.065 0.000 0.895 616 Q HN 0.225 nan 8.270 nan 0.000 0.440 617 N N -0.282 118.472 118.700 0.090 0.000 2.334 617 N HA -0.124 4.616 4.740 -0.000 0.000 0.187 617 N C 1.286 176.832 175.510 0.060 0.000 1.016 617 N CA 1.469 54.564 53.050 0.075 0.000 0.879 617 N CB 0.039 38.585 38.487 0.099 0.000 0.965 617 N HN 0.516 nan 8.380 nan 0.000 0.438 618 L N -2.285 118.979 121.223 0.068 0.000 2.685 618 L HA 0.289 4.629 4.340 -0.000 0.000 0.235 618 L C 1.262 178.155 176.870 0.038 0.000 1.070 618 L CA 0.183 55.052 54.840 0.048 0.000 0.888 618 L CB 0.037 42.127 42.059 0.051 0.000 1.203 618 L HN -0.048 nan 8.230 nan 0.000 0.499 619 L N 1.499 122.750 121.223 0.046 0.000 2.046 619 L HA 0.177 4.517 4.340 -0.000 0.000 0.208 619 L C 1.102 177.988 176.870 0.027 0.000 1.077 619 L CA 1.253 56.115 54.840 0.037 0.000 0.747 619 L CB -1.392 40.694 42.059 0.046 0.000 0.896 619 L HN 0.590 nan 8.230 nan 0.000 0.432 620 G N 0.054 108.870 108.800 0.027 0.000 2.539 620 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.686 620 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.686 620 G C -1.287 173.622 174.900 0.015 0.000 1.258 620 G CA -0.820 44.290 45.100 0.018 0.000 0.846 620 G HN -0.026 nan 8.290 nan 0.000 0.647 621 K N 0.005 120.409 120.400 0.006 0.000 2.480 621 K HA 0.611 4.931 4.320 -0.000 0.000 0.258 621 K C 0.627 177.223 176.600 -0.005 0.000 0.990 621 K CA -1.095 55.195 56.287 0.004 0.000 0.857 621 K CB 1.425 33.928 32.500 0.005 0.000 1.384 621 K HN 0.695 nan 8.250 nan 0.000 0.446 622 R N 0.540 121.038 120.500 -0.004 0.000 2.623 622 R HA 0.155 4.495 4.340 -0.000 0.000 0.271 622 R C -0.237 176.048 176.300 -0.024 0.000 1.043 622 R CA -0.272 55.824 56.100 -0.008 0.000 1.083 622 R CB 0.098 30.395 30.300 -0.005 0.000 0.974 622 R HN 0.166 nan 8.270 nan 0.000 0.436 623 V N 3.276 123.167 119.914 -0.038 0.000 2.394 623 V HA 0.063 4.182 4.120 -0.000 0.000 0.282 623 V C 0.429 176.503 176.094 -0.033 0.000 1.031 623 V CA -0.702 61.562 62.300 -0.061 0.000 0.881 623 V CB 1.577 33.290 31.823 -0.182 0.000 0.982 623 V HN 0.616 nan 8.190 nan 0.000 0.451 624 D N 2.907 123.289 120.400 -0.029 0.000 2.423 624 D HA 0.177 4.817 4.640 -0.000 0.000 0.238 624 D C -0.344 175.934 176.300 -0.037 0.000 1.142 624 D CA 0.531 54.451 54.000 -0.133 0.000 0.884 624 D CB 0.343 41.053 40.800 -0.149 0.000 1.199 624 D HN 0.609 nan 8.370 nan 0.000 0.438 625 Y N -0.719 119.573 120.300 -0.013 0.000 2.984 625 Y HA -0.272 4.278 4.550 -0.001 0.000 0.132 625 Y C 0.483 176.398 175.900 0.025 0.000 1.924 625 Y CA 0.232 58.311 58.100 -0.034 0.000 0.976 625 Y CB -1.676 36.745 38.460 -0.065 0.000 1.560 625 Y HN 0.328 nan 8.280 nan 0.000 0.353 626 S N -0.061 115.712 115.700 0.121 0.000 2.671 626 S HA 1.017 5.487 4.470 -0.000 0.000 0.277 626 S C -0.161 174.474 174.600 0.059 0.000 1.165 626 S CA -0.298 58.023 58.200 0.201 0.000 0.822 626 S CB 2.637 65.977 63.200 0.233 0.000 1.150 626 S HN 1.461 nan 8.310 nan 0.000 0.479 627 G N 0.055 108.861 108.800 0.009 0.000 2.387 627 G HA2 0.646 4.606 3.960 -0.000 0.000 0.294 627 G HA3 0.646 4.606 3.960 -0.000 0.000 0.294 627 G C -1.955 172.902 174.900 -0.071 0.000 1.509 627 G CA -0.803 44.282 45.100 -0.026 0.000 0.806 627 G HN 1.153 nan 8.290 nan 0.000 0.546 628 R N -1.352 119.113 120.500 -0.058 0.000 2.629 628 R HA 0.873 5.213 4.340 -0.000 0.000 0.266 628 R C -0.933 175.333 176.300 -0.056 0.000 1.051 628 R CA -0.751 55.304 56.100 -0.075 0.000 0.895 628 R CB 1.660 31.923 30.300 -0.062 0.000 1.246 628 R HN 1.093 nan 8.270 nan 0.000 0.459 629 S N 0.515 116.177 115.700 -0.063 0.000 2.727 629 S HA 0.493 4.963 4.470 -0.000 0.000 0.278 629 S C -1.286 173.285 174.600 -0.048 0.000 1.186 629 S CA -0.670 57.502 58.200 -0.047 0.000 0.836 629 S CB 1.913 65.087 63.200 -0.043 0.000 1.186 629 S HN 0.401 nan 8.310 nan 0.000 0.499 630 V N 3.626 123.521 119.914 -0.032 0.000 2.546 630 V HA 0.406 4.526 4.120 -0.000 0.000 0.284 630 V C 0.358 176.451 176.094 -0.003 0.000 1.050 630 V CA -0.678 61.611 62.300 -0.019 0.000 0.981 630 V CB 1.084 32.906 31.823 -0.002 0.000 0.990 630 V HN 0.688 nan 8.190 nan 0.000 0.474 631 I N 4.906 125.486 120.570 0.015 0.000 2.499 631 I HA 0.717 4.887 4.170 -0.000 0.000 0.296 631 I C -0.442 175.866 176.117 0.319 0.000 0.992 631 I CA -0.517 60.840 61.300 0.094 0.000 1.297 631 I CB 1.311 39.310 38.000 -0.001 0.000 1.410 631 I HN 0.291 nan 8.210 nan 0.000 0.507 632 V N 6.063 126.138 119.914 0.269 0.000 2.841 632 V HA 0.320 4.440 4.120 -0.000 0.000 0.310 632 V C -0.066 175.775 176.094 -0.422 0.000 1.090 632 V CA -1.001 61.269 62.300 -0.050 0.000 0.930 632 V CB 2.013 33.772 31.823 -0.106 0.000 1.014 632 V HN 0.735 nan 8.190 nan 0.000 0.425 633 V N 3.427 122.516 119.914 -1.374 0.000 2.655 633 V HA 0.555 4.675 4.120 -0.000 0.000 0.300 633 V C 0.843 176.677 176.094 -0.432 0.000 1.044 633 V CA 1.015 62.709 62.300 -1.010 0.000 1.095 633 V CB 1.129 32.270 31.823 -1.137 0.000 0.952 633 V HN 1.108 nan 8.190 nan 0.000 0.485 634 G N 7.176 115.826 108.800 -0.249 0.000 3.678 634 G HA2 0.471 4.431 3.960 -0.000 0.000 0.344 634 G HA3 0.471 4.431 3.960 -0.000 0.000 0.344 634 G C -1.822 172.993 174.900 -0.142 0.000 1.450 634 G CA -0.823 44.176 45.100 -0.168 0.000 1.078 634 G HN 0.686 nan 8.290 nan 0.000 0.474 635 P HA -0.287 nan 4.420 nan 0.000 0.217 635 P C 2.161 179.513 177.300 0.086 0.000 1.162 635 P CA 1.479 64.541 63.100 -0.063 0.000 0.901 635 P CB 0.280 31.874 31.700 -0.177 0.000 0.793 636 Q N -0.013 119.816 119.800 0.049 0.000 2.119 636 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 636 Q C 1.053 177.102 176.000 0.081 0.000 0.972 636 Q CA 0.786 56.644 55.803 0.092 0.000 0.847 636 Q CB -1.413 27.353 28.738 0.046 0.000 0.903 636 Q HN 0.220 nan 8.270 nan 0.000 0.433 637 L N 2.707 123.958 121.223 0.047 0.000 2.573 637 L HA -0.050 4.290 4.340 -0.000 0.000 0.290 637 L C -0.164 176.840 176.870 0.223 0.000 1.247 637 L CA 0.774 55.670 54.840 0.094 0.000 0.876 637 L CB 0.434 42.526 42.059 0.055 0.000 1.123 637 L HN 0.011 nan 8.230 nan 0.000 0.505 638 K N 5.182 125.755 120.400 0.288 0.000 2.130 638 K HA 0.182 4.502 4.320 -0.000 0.000 0.268 638 K C 0.920 177.785 176.600 0.441 0.000 0.983 638 K CA -0.734 55.774 56.287 0.369 0.000 0.893 638 K CB 1.449 34.078 32.500 0.216 0.000 1.066 638 K HN 0.609 nan 8.250 nan 0.000 0.450 639 L N 0.545 121.881 121.223 0.188 0.000 2.302 639 L HA -0.264 4.076 4.340 -0.000 0.000 0.218 639 L C 1.926 178.895 176.870 0.165 0.000 1.100 639 L CA 1.918 56.703 54.840 -0.092 0.000 0.774 639 L CB -1.874 40.015 42.059 -0.284 0.000 0.896 639 L HN 0.771 nan 8.230 nan 0.000 0.439 640 H N 0.464 119.577 119.070 0.072 0.000 2.326 640 H HA 0.017 4.573 4.556 -0.000 0.000 0.301 640 H C 1.163 176.565 175.328 0.124 0.000 1.081 640 H CA 1.694 57.752 56.048 0.016 0.000 1.334 640 H CB 0.082 29.849 29.762 0.008 0.000 1.385 640 H HN 0.725 nan 8.280 nan 0.000 0.504 641 Q N -0.761 119.151 119.800 0.187 0.000 2.293 641 Q HA 0.497 4.837 4.340 -0.000 0.000 0.216 641 Q C -0.758 175.404 176.000 0.271 0.000 1.003 641 Q CA -0.704 55.195 55.803 0.160 0.000 0.995 641 Q CB 2.151 30.962 28.738 0.121 0.000 1.172 641 Q HN 0.395 nan 8.270 nan 0.000 0.518 642 C N -2.005 117.352 119.300 0.094 0.000 3.006 642 C HA 0.792 5.251 4.460 -0.000 0.000 0.359 642 C C 0.122 175.075 174.990 -0.061 0.000 1.103 642 C CA -0.627 58.343 59.018 -0.080 0.000 1.286 642 C CB 0.707 28.282 27.740 -0.276 0.000 1.694 642 C HN 0.971 nan 8.230 nan 0.000 0.511 643 G N 2.863 111.614 108.800 -0.081 0.000 2.360 643 G HA2 0.516 4.475 3.960 -0.000 0.000 0.279 643 G HA3 0.516 4.475 3.960 -0.000 0.000 0.279 643 G C -1.048 173.806 174.900 -0.076 0.000 1.189 643 G CA -0.069 44.989 45.100 -0.070 0.000 0.941 643 G HN 1.192 nan 8.290 nan 0.000 0.445 644 L N 4.841 126.026 121.223 -0.063 0.000 2.362 644 L HA 0.593 4.932 4.340 -0.000 0.000 0.275 644 L C -2.440 174.390 176.870 -0.066 0.000 0.998 644 L CA -2.463 52.346 54.840 -0.052 0.000 0.820 644 L CB 2.633 44.682 42.059 -0.017 0.000 1.270 644 L HN 0.200 nan 8.230 nan 0.000 0.415 645 P HA 0.165 nan 4.420 nan 0.000 0.270 645 P C -0.278 176.959 177.300 -0.105 0.000 1.242 645 P CA -0.239 62.814 63.100 -0.078 0.000 0.768 645 P CB 0.494 32.163 31.700 -0.051 0.000 0.820 646 K N 4.598 124.882 120.400 -0.193 0.000 2.052 646 K HA -0.278 4.042 4.320 -0.000 0.000 0.215 646 K C 1.516 177.961 176.600 -0.258 0.000 1.053 646 K CA 1.574 57.661 56.287 -0.334 0.000 0.934 646 K CB -0.518 31.601 32.500 -0.636 0.000 0.717 646 K HN 0.159 nan 8.250 nan 0.000 0.450 647 R N 0.471 120.870 120.500 -0.167 0.000 2.119 647 R HA -0.098 4.242 4.340 -0.000 0.000 0.246 647 R C 2.560 178.873 176.300 0.022 0.000 1.146 647 R CA 2.357 58.449 56.100 -0.014 0.000 0.962 647 R CB -0.520 29.800 30.300 0.035 0.000 0.863 647 R HN 0.321 nan 8.270 nan 0.000 0.442 648 M N -0.249 119.353 119.600 0.003 0.000 2.132 648 M HA -0.081 4.399 4.480 -0.000 0.000 0.263 648 M C 2.533 178.880 176.300 0.078 0.000 1.065 648 M CA 1.598 56.917 55.300 0.031 0.000 1.122 648 M CB -0.320 32.287 32.600 0.011 0.000 1.365 648 M HN 0.326 nan 8.290 nan 0.000 0.411 649 A N 0.601 123.472 122.820 0.085 0.000 1.883 649 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 649 A C 2.046 179.793 177.584 0.272 0.000 1.186 649 A CA 1.453 53.632 52.037 0.237 0.000 0.624 649 A CB -0.959 18.099 19.000 0.097 0.000 0.822 649 A HN 0.400 nan 8.150 nan 0.000 0.444 650 L N -0.156 121.149 121.223 0.137 0.000 1.965 650 L HA -0.266 4.074 4.340 -0.000 0.000 0.226 650 L C 2.440 179.440 176.870 0.217 0.000 1.083 650 L CA 2.695 57.654 54.840 0.198 0.000 0.790 650 L CB -0.666 41.528 42.059 0.225 0.000 0.898 650 L HN 0.431 nan 8.230 nan 0.000 0.439 651 E N -0.826 119.471 120.200 0.161 0.000 2.085 651 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 651 E C 2.239 178.920 176.600 0.135 0.000 0.994 651 E CA 1.260 57.737 56.400 0.129 0.000 0.801 651 E CB -0.377 29.371 29.700 0.080 0.000 0.743 651 E HN 0.317 nan 8.360 nan 0.000 0.453 652 L N -0.254 121.041 121.223 0.119 0.000 1.989 652 L HA -0.170 4.169 4.340 -0.000 0.000 0.211 652 L C 1.661 178.519 176.870 -0.021 0.000 1.071 652 L CA 1.584 56.437 54.840 0.021 0.000 0.749 652 L CB -0.748 41.266 42.059 -0.075 0.000 0.890 652 L HN 0.080 nan 8.230 nan 0.000 0.431 653 F N -0.712 119.329 119.950 0.151 0.000 2.898 653 F HA 0.164 4.691 4.527 -0.000 0.000 0.290 653 F C 1.765 177.700 175.800 0.225 0.000 1.195 653 F CA -0.201 57.897 58.000 0.163 0.000 1.387 653 F CB -0.623 38.414 39.000 0.062 0.000 0.976 653 F HN 0.014 nan 8.300 nan 0.000 0.510 654 K N 1.371 121.975 120.400 0.341 0.000 1.978 654 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 654 K C -0.726 176.032 176.600 0.263 0.000 1.049 654 K CA 1.833 58.282 56.287 0.271 0.000 0.939 654 K CB -0.927 31.694 32.500 0.203 0.000 0.721 654 K HN 0.138 nan 8.250 nan 0.000 0.441 655 P HA -0.158 nan 4.420 nan 0.000 0.213 655 P C 1.045 178.446 177.300 0.168 0.000 1.170 655 P CA 1.457 64.671 63.100 0.189 0.000 0.902 655 P CB -0.097 31.719 31.700 0.193 0.000 0.789 656 F N -1.250 118.781 119.950 0.134 0.000 2.154 656 F HA -0.200 4.327 4.527 -0.001 0.000 0.301 656 F C 2.209 178.082 175.800 0.121 0.000 1.087 656 F CA 1.214 59.292 58.000 0.130 0.000 1.274 656 F CB -1.071 38.047 39.000 0.197 0.000 1.009 656 F HN -0.137 nan 8.300 nan 0.000 0.485 657 L N -0.326 121.092 121.223 0.325 0.000 2.027 657 L HA -0.147 4.192 4.340 -0.000 0.000 0.206 657 L C 2.116 179.077 176.870 0.150 0.000 1.074 657 L CA 1.498 56.472 54.840 0.224 0.000 0.745 657 L CB -0.724 41.474 42.059 0.230 0.000 0.898 657 L HN 0.070 nan 8.230 nan 0.000 0.433 658 L N -0.148 121.155 121.223 0.132 0.000 1.976 658 L HA -0.345 3.995 4.340 -0.000 0.000 0.223 658 L C 2.693 179.599 176.870 0.059 0.000 1.081 658 L CA 2.093 56.984 54.840 0.084 0.000 0.784 658 L CB -0.879 41.222 42.059 0.069 0.000 0.896 658 L HN 0.296 nan 8.230 nan 0.000 0.438 659 K N 0.735 121.159 120.400 0.040 0.000 2.015 659 K HA -0.277 4.043 4.320 -0.000 0.000 0.216 659 K C 2.049 178.670 176.600 0.036 0.000 1.052 659 K CA 1.982 58.279 56.287 0.017 0.000 0.937 659 K CB -0.341 32.145 32.500 -0.023 0.000 0.719 659 K HN -0.061 nan 8.250 nan 0.000 0.446 660 K N -0.238 120.201 120.400 0.064 0.000 2.211 660 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 660 K C 1.971 178.604 176.600 0.054 0.000 1.047 660 K CA 1.554 57.881 56.287 0.066 0.000 0.935 660 K CB -0.078 32.479 32.500 0.094 0.000 0.728 660 K HN 0.226 nan 8.250 nan 0.000 0.452 661 M N -0.145 119.490 119.600 0.058 0.000 2.117 661 M HA -0.182 4.298 4.480 -0.000 0.000 0.262 661 M C 2.120 178.437 176.300 0.029 0.000 1.065 661 M CA 1.722 57.050 55.300 0.046 0.000 1.114 661 M CB -0.617 32.011 32.600 0.048 0.000 1.361 661 M HN 0.313 nan 8.290 nan 0.000 0.408 662 E N 0.278 120.493 120.200 0.025 0.000 2.152 662 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 662 E C 1.793 178.402 176.600 0.014 0.000 0.983 662 E CA 0.555 56.964 56.400 0.016 0.000 0.818 662 E CB 0.231 29.938 29.700 0.011 0.000 0.758 662 E HN 0.359 nan 8.360 nan 0.000 0.467 663 E N 0.629 120.839 120.200 0.018 0.000 2.209 663 E HA -0.108 4.241 4.350 -0.000 0.000 0.196 663 E C -0.016 176.592 176.600 0.014 0.000 0.993 663 E CA 0.961 57.370 56.400 0.015 0.000 0.819 663 E CB 0.175 29.888 29.700 0.021 0.000 0.745 663 E HN 0.201 nan 8.360 nan 0.000 0.477 664 K N -0.792 119.618 120.400 0.017 0.000 2.345 664 K HA 0.310 4.630 4.320 -0.000 0.000 0.255 664 K C 0.769 177.376 176.600 0.011 0.000 0.934 664 K CA -0.141 56.155 56.287 0.014 0.000 0.801 664 K CB 1.822 34.333 32.500 0.018 0.000 1.137 664 K HN -0.103 nan 8.250 nan 0.000 0.424 665 G N 2.509 111.313 108.800 0.006 0.000 2.790 665 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.220 665 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.220 665 G C 1.129 176.030 174.900 0.002 0.000 1.095 665 G CA 0.775 45.877 45.100 0.003 0.000 0.713 665 G HN 0.679 nan 8.290 nan 0.000 0.603 666 I N 0.380 120.952 120.570 0.004 0.000 2.315 666 I HA -0.062 4.108 4.170 -0.000 0.000 0.251 666 I C 1.565 177.682 176.117 -0.000 0.000 1.125 666 I CA 0.994 62.294 61.300 0.000 0.000 1.392 666 I CB -0.201 37.802 38.000 0.005 0.000 1.065 666 I HN 0.306 nan 8.210 nan 0.000 0.424 667 A N -0.701 122.122 122.820 0.005 0.000 2.549 667 A HA 0.566 4.886 4.320 -0.000 0.000 0.297 667 A C -2.243 175.344 177.584 0.005 0.000 1.061 667 A CA -0.966 51.074 52.037 0.005 0.000 0.690 667 A CB 1.028 20.034 19.000 0.011 0.000 1.287 667 A HN -0.185 nan 8.150 nan 0.000 0.402 668 P HA 0.054 nan 4.420 nan 0.000 0.217 668 P C -0.018 177.284 177.300 0.004 0.000 1.154 668 P CA 1.030 64.132 63.100 0.003 0.000 0.841 668 P CB 0.226 31.926 31.700 0.001 0.000 0.790 669 N N -2.849 115.854 118.700 0.005 0.000 2.853 669 N HA 0.093 4.833 4.740 -0.000 0.000 0.258 669 N C 0.668 176.184 175.510 0.010 0.000 1.444 669 N CA -0.551 52.502 53.050 0.006 0.000 0.837 669 N CB 1.208 39.698 38.487 0.004 0.000 1.489 669 N HN -0.343 nan 8.380 nan 0.000 0.529 670 V N 1.146 121.066 119.914 0.010 0.000 2.233 670 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 670 V C 2.357 178.461 176.094 0.017 0.000 1.050 670 V CA 2.000 64.309 62.300 0.015 0.000 1.010 670 V CB -1.009 30.822 31.823 0.012 0.000 0.637 670 V HN 0.662 nan 8.190 nan 0.000 0.444 671 K N 0.810 121.217 120.400 0.012 0.000 2.160 671 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 671 K C 2.301 178.907 176.600 0.011 0.000 1.047 671 K CA 1.629 57.922 56.287 0.011 0.000 0.930 671 K CB -0.525 31.979 32.500 0.006 0.000 0.720 671 K HN 0.528 nan 8.250 nan 0.000 0.450 672 A N 1.623 124.449 122.820 0.009 0.000 1.855 672 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 672 A C 2.446 180.036 177.584 0.010 0.000 1.191 672 A CA 1.644 53.685 52.037 0.007 0.000 0.613 672 A CB -0.765 18.238 19.000 0.004 0.000 0.829 672 A HN 0.313 nan 8.150 nan 0.000 0.442 673 A N -0.445 122.385 122.820 0.016 0.000 1.940 673 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 673 A C 2.256 179.857 177.584 0.029 0.000 1.176 673 A CA 1.892 53.943 52.037 0.024 0.000 0.631 673 A CB -0.504 18.517 19.000 0.034 0.000 0.814 673 A HN 0.548 nan 8.150 nan 0.000 0.446 674 R N -0.553 119.965 120.500 0.029 0.000 2.070 674 R HA -0.105 4.234 4.340 -0.000 0.000 0.233 674 R C 2.484 178.798 176.300 0.022 0.000 1.137 674 R CA 1.573 57.692 56.100 0.032 0.000 0.945 674 R CB -0.237 30.081 30.300 0.029 0.000 0.845 674 R HN 0.556 nan 8.270 nan 0.000 0.430 675 R N -0.262 120.246 120.500 0.014 0.000 2.127 675 R HA -0.125 4.214 4.340 -0.000 0.000 0.238 675 R C 2.268 178.570 176.300 0.003 0.000 1.134 675 R CA 1.157 57.261 56.100 0.007 0.000 0.975 675 R CB -0.310 29.991 30.300 0.003 0.000 0.865 675 R HN 0.249 nan 8.270 nan 0.000 0.447 676 M N 0.720 120.321 119.600 0.002 0.000 2.149 676 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 676 M C 1.777 178.071 176.300 -0.010 0.000 1.064 676 M CA 1.682 56.977 55.300 -0.008 0.000 1.102 676 M CB -0.263 32.333 32.600 -0.006 0.000 1.369 676 M HN 0.159 nan 8.290 nan 0.000 0.408 677 L N -0.713 120.516 121.223 0.009 0.000 2.640 677 L HA 0.006 4.346 4.340 -0.000 0.000 0.230 677 L C 1.980 178.866 176.870 0.027 0.000 1.123 677 L CA -0.042 54.811 54.840 0.022 0.000 0.900 677 L CB -0.455 41.637 42.059 0.056 0.000 1.146 677 L HN 0.306 nan 8.230 nan 0.000 0.484 678 E N 1.366 121.577 120.200 0.019 0.000 2.338 678 E HA -0.120 4.230 4.350 -0.000 0.000 0.197 678 E C 0.409 177.017 176.600 0.014 0.000 1.007 678 E CA 0.530 56.941 56.400 0.018 0.000 0.849 678 E CB 0.134 29.841 29.700 0.012 0.000 0.774 678 E HN 0.476 nan 8.360 nan 0.000 0.506 679 R N 0.390 120.894 120.500 0.006 0.000 2.686 679 R HA 0.208 4.548 4.340 -0.000 0.000 0.286 679 R C 0.485 176.783 176.300 -0.004 0.000 0.969 679 R CA -0.401 55.700 56.100 0.002 0.000 0.898 679 R CB 1.448 31.744 30.300 -0.006 0.000 1.183 679 R HN -0.016 nan 8.270 nan 0.000 0.456 680 Q N 1.514 121.316 119.800 0.004 0.000 2.230 680 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 680 Q C 1.009 176.993 176.000 -0.028 0.000 0.963 680 Q CA 1.367 57.172 55.803 0.003 0.000 0.866 680 Q CB 0.359 29.115 28.738 0.029 0.000 0.931 680 Q HN 0.409 nan 8.270 nan 0.000 0.452 681 R N 0.034 120.518 120.500 -0.027 0.000 2.299 681 R HA -0.026 4.314 4.340 -0.000 0.000 0.197 681 R C 0.394 176.658 176.300 -0.059 0.000 0.971 681 R CA 0.907 56.983 56.100 -0.039 0.000 1.030 681 R CB 0.281 30.566 30.300 -0.025 0.000 0.932 681 R HN 0.270 nan 8.270 nan 0.000 0.477 682 D N 0.350 120.713 120.400 -0.062 0.000 2.340 682 D HA 0.052 4.691 4.640 -0.000 0.000 0.220 682 D C -0.003 176.228 176.300 -0.114 0.000 1.039 682 D CA 0.260 54.218 54.000 -0.071 0.000 0.866 682 D CB 0.203 40.974 40.800 -0.048 0.000 0.913 682 D HN 0.102 nan 8.370 nan 0.000 0.523 683 I N 1.471 121.939 120.570 -0.170 0.000 2.683 683 I HA -0.025 4.145 4.170 -0.000 0.000 0.286 683 I C 0.637 176.578 176.117 -0.295 0.000 1.175 683 I CA 0.207 61.329 61.300 -0.298 0.000 1.429 683 I CB 0.445 38.139 38.000 -0.509 0.000 1.371 683 I HN -0.264 nan 8.210 nan 0.000 0.569 684 K N 5.527 125.762 120.400 -0.275 0.000 2.130 684 K HA 0.198 4.518 4.320 -0.000 0.000 0.268 684 K C 0.175 176.601 176.600 -0.290 0.000 0.983 684 K CA -0.724 55.435 56.287 -0.212 0.000 0.893 684 K CB 1.241 33.665 32.500 -0.127 0.000 1.066 684 K HN 0.494 nan 8.250 nan 0.000 0.450 685 D N 2.386 122.653 120.400 -0.222 0.000 2.263 685 D HA -0.161 4.479 4.640 -0.000 0.000 0.208 685 D C 0.846 177.094 176.300 -0.085 0.000 0.971 685 D CA 1.308 55.185 54.000 -0.205 0.000 0.867 685 D CB 0.222 40.971 40.800 -0.084 0.000 0.929 685 D HN 0.604 nan 8.370 nan 0.000 0.492 686 E N 0.913 121.074 120.200 -0.065 0.000 2.150 686 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 686 E C 2.331 178.953 176.600 0.037 0.000 0.985 686 E CA 0.545 56.944 56.400 -0.003 0.000 0.814 686 E CB -0.116 29.575 29.700 -0.014 0.000 0.752 686 E HN 0.131 nan 8.360 nan 0.000 0.466 687 V N 0.960 120.869 119.914 -0.008 0.000 2.255 687 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 687 V C 2.087 178.358 176.094 0.295 0.000 1.051 687 V CA 1.974 64.320 62.300 0.076 0.000 1.018 687 V CB -1.012 30.788 31.823 -0.038 0.000 0.641 687 V HN 0.431 nan 8.190 nan 0.000 0.445 688 W N 0.459 121.765 121.300 0.011 0.000 2.305 688 W HA -0.238 4.422 4.660 -0.000 0.000 0.308 688 W C 2.451 178.969 176.519 -0.001 0.000 1.226 688 W CA 0.767 58.115 57.345 0.006 0.000 1.253 688 W CB -0.366 29.096 29.460 0.003 0.000 1.146 688 W HN 0.347 nan 8.180 nan 0.000 0.507 689 D N 0.066 120.615 120.400 0.248 0.000 2.123 689 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 689 D C 2.138 178.496 176.300 0.098 0.000 0.992 689 D CA 1.779 55.855 54.000 0.128 0.000 0.833 689 D CB -0.867 39.984 40.800 0.085 0.000 0.954 689 D HN 0.133 nan 8.370 nan 0.000 0.455 690 A N 0.912 123.802 122.820 0.116 0.000 1.855 690 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 690 A C 2.172 179.810 177.584 0.089 0.000 1.191 690 A CA 0.978 53.072 52.037 0.094 0.000 0.613 690 A CB -0.809 18.252 19.000 0.102 0.000 0.829 690 A HN 0.203 nan 8.150 nan 0.000 0.442 691 L N 0.085 121.383 121.223 0.125 0.000 1.970 691 L HA -0.191 4.148 4.340 -0.000 0.000 0.212 691 L C 2.265 179.107 176.870 -0.046 0.000 1.071 691 L CA 2.836 57.710 54.840 0.057 0.000 0.751 691 L CB -0.918 41.189 42.059 0.081 0.000 0.889 691 L HN 0.518 nan 8.230 nan 0.000 0.432 692 E N -0.622 119.558 120.200 -0.033 0.000 2.273 692 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 692 E C 2.109 178.688 176.600 -0.035 0.000 1.002 692 E CA 1.547 57.910 56.400 -0.062 0.000 0.828 692 E CB -0.067 29.615 29.700 -0.029 0.000 0.747 692 E HN 0.656 nan 8.360 nan 0.000 0.491 693 E N -1.296 118.900 120.200 -0.008 0.000 2.140 693 E HA -0.062 4.288 4.350 -0.000 0.000 0.191 693 E C 1.739 178.344 176.600 0.009 0.000 0.973 693 E CA 0.750 57.150 56.400 -0.000 0.000 0.829 693 E CB 0.344 30.049 29.700 0.008 0.000 0.781 693 E HN 0.156 nan 8.360 nan 0.000 0.466 694 V N 1.228 121.139 119.914 -0.004 0.000 2.667 694 V HA -0.164 3.955 4.120 -0.000 0.000 0.252 694 V C 2.159 178.176 176.094 -0.129 0.000 1.065 694 V CA 1.134 63.437 62.300 0.004 0.000 1.083 694 V CB -0.159 31.696 31.823 0.053 0.000 0.692 694 V HN 0.328 nan 8.190 nan 0.000 0.468 695 I N -0.852 119.568 120.570 -0.250 0.000 3.226 695 I HA -0.064 4.106 4.170 -0.000 0.000 0.277 695 I C 2.185 178.200 176.117 -0.169 0.000 1.243 695 I CA 0.577 61.635 61.300 -0.403 0.000 1.459 695 I CB -0.163 37.515 38.000 -0.537 0.000 1.093 695 I HN 0.456 nan 8.210 nan 0.000 0.453 696 H N 1.450 120.432 119.070 -0.147 0.000 1.581 696 H HA -0.332 4.224 4.556 -0.000 0.000 0.116 696 H C 1.602 176.891 175.328 -0.064 0.000 1.141 696 H CA 2.338 58.338 56.048 -0.080 0.000 1.848 696 H CB -1.050 28.685 29.762 -0.045 0.000 2.204 696 H HN 0.323 nan 8.280 nan 0.000 0.943 697 G N 0.728 109.273 108.800 -0.424 0.000 3.453 697 G HA2 0.163 4.123 3.960 -0.000 0.000 0.263 697 G HA3 0.163 4.123 3.960 -0.000 0.000 0.263 697 G C -0.166 174.620 174.900 -0.190 0.000 1.060 697 G CA -0.391 44.458 45.100 -0.418 0.000 0.793 697 G HN 0.253 nan 8.290 nan 0.000 0.532 698 K N 0.737 121.046 120.400 -0.152 0.000 2.168 698 K HA 0.492 4.812 4.320 -0.000 0.000 0.258 698 K C 0.111 176.667 176.600 -0.073 0.000 1.010 698 K CA -0.282 55.944 56.287 -0.100 0.000 0.929 698 K CB 2.116 34.548 32.500 -0.114 0.000 0.998 698 K HN 0.150 nan 8.250 nan 0.000 0.479 699 V N -2.195 117.709 119.914 -0.015 0.000 3.102 699 V HA 0.753 4.873 4.120 -0.000 0.000 0.312 699 V C -0.270 175.876 176.094 0.087 0.000 1.135 699 V CA -1.005 61.301 62.300 0.010 0.000 1.022 699 V CB 1.804 33.602 31.823 -0.043 0.000 1.056 699 V HN 0.566 nan 8.190 nan 0.000 0.436 700 V N 0.237 120.221 119.914 0.116 0.000 3.126 700 V HA 0.861 4.980 4.120 -0.000 0.000 0.314 700 V C -0.751 175.427 176.094 0.140 0.000 1.138 700 V CA -0.949 61.427 62.300 0.126 0.000 1.034 700 V CB 1.612 33.521 31.823 0.143 0.000 1.075 700 V HN 0.942 nan 8.190 nan 0.000 0.442 701 L N 1.599 122.901 121.223 0.132 0.000 2.334 701 L HA 0.796 5.135 4.340 -0.000 0.000 0.270 701 L C -0.550 176.382 176.870 0.103 0.000 1.018 701 L CA -0.540 54.398 54.840 0.163 0.000 0.811 701 L CB 1.275 43.440 42.059 0.176 0.000 1.271 701 L HN 0.511 nan 8.230 nan 0.000 0.443 702 L N 1.383 122.692 121.223 0.144 0.000 2.401 702 L HA 0.550 4.890 4.340 -0.000 0.000 0.266 702 L C -0.582 176.285 176.870 -0.005 0.000 0.991 702 L CA -0.201 54.621 54.840 -0.031 0.000 0.818 702 L CB 1.916 43.888 42.059 -0.144 0.000 1.321 702 L HN 0.698 nan 8.230 nan 0.000 0.413 703 N N 0.840 119.468 118.700 -0.120 0.000 2.240 703 N HA 0.672 5.412 4.740 -0.000 0.000 0.302 703 N C -1.239 174.202 175.510 -0.115 0.000 1.106 703 N CA -0.748 52.293 53.050 -0.016 0.000 0.778 703 N CB 2.122 40.626 38.487 0.028 0.000 1.431 703 N HN 0.532 nan 8.380 nan 0.000 0.479 704 R N 2.124 122.633 120.500 0.016 0.000 2.787 704 R HA 0.657 4.997 4.340 -0.000 0.000 0.271 704 R C 0.568 176.884 176.300 0.027 0.000 0.993 704 R CA 0.097 56.192 56.100 -0.009 0.000 0.993 704 R CB 0.937 31.340 30.300 0.171 0.000 1.155 704 R HN 0.657 nan 8.270 nan 0.000 0.486 705 A N 3.455 126.270 122.820 -0.009 0.000 2.573 705 A HA -0.086 4.234 4.320 -0.000 0.000 0.211 705 A C -1.278 176.313 177.584 0.012 0.000 1.231 705 A CA 1.382 53.415 52.037 -0.006 0.000 0.977 705 A CB -2.078 16.910 19.000 -0.020 0.000 0.761 705 A HN 0.734 nan 8.150 nan 0.000 0.549 706 P HA 0.305 nan 4.420 nan 0.000 0.282 706 P C -1.002 176.307 177.300 0.015 0.000 1.274 706 P CA 0.134 63.236 63.100 0.003 0.000 0.770 706 P CB 0.878 32.569 31.700 -0.015 0.000 0.867 707 T N 4.453 119.027 114.554 0.034 0.000 2.987 707 T HA 0.146 4.496 4.350 -0.000 0.000 0.288 707 T C 1.385 176.096 174.700 0.018 0.000 0.981 707 T CA 0.018 62.154 62.100 0.059 0.000 1.031 707 T CB -0.358 68.560 68.868 0.084 0.000 0.976 707 T HN 0.231 nan 8.240 nan 0.000 0.612 708 L N 1.875 123.067 121.223 -0.050 0.000 2.145 708 L HA 0.185 4.525 4.340 -0.000 0.000 0.201 708 L C 1.546 178.395 176.870 -0.034 0.000 1.075 708 L CA 0.667 55.445 54.840 -0.103 0.000 0.773 708 L CB -0.163 41.755 42.059 -0.235 0.000 0.936 708 L HN 0.741 nan 8.230 nan 0.000 0.451 709 H N -2.630 116.434 119.070 -0.011 0.000 2.864 709 H HA 0.332 4.888 4.556 -0.000 0.000 0.354 709 H C 0.625 175.936 175.328 -0.028 0.000 1.208 709 H CA -0.923 55.108 56.048 -0.028 0.000 1.191 709 H CB 1.171 30.906 29.762 -0.045 0.000 1.889 709 H HN -0.108 nan 8.280 nan 0.000 0.574 710 R N 0.350 120.910 120.500 0.100 0.000 2.159 710 R HA -0.064 4.276 4.340 -0.000 0.000 0.237 710 R C 0.878 177.160 176.300 -0.030 0.000 1.131 710 R CA 1.635 57.746 56.100 0.018 0.000 0.982 710 R CB -0.383 29.900 30.300 -0.028 0.000 0.868 710 R HN 0.635 nan 8.270 nan 0.000 0.453 711 L N 0.951 122.046 121.223 -0.213 0.000 2.610 711 L HA 0.108 4.448 4.340 -0.000 0.000 0.232 711 L C 2.177 178.924 176.870 -0.204 0.000 1.149 711 L CA 0.593 55.242 54.840 -0.319 0.000 0.872 711 L CB -0.411 41.261 42.059 -0.646 0.000 0.992 711 L HN 0.528 nan 8.230 nan 0.000 0.447 712 G N 0.867 109.771 108.800 0.174 0.000 2.535 712 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 712 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 712 G C 0.707 175.900 174.900 0.488 0.000 1.122 712 G CA 0.369 45.632 45.100 0.271 0.000 0.769 712 G HN 0.341 nan 8.290 nan 0.000 0.549 713 I N -0.599 120.189 120.570 0.364 0.000 2.534 713 I HA 0.359 4.529 4.170 -0.000 0.000 0.288 713 I C -0.791 175.536 176.117 0.351 0.000 1.077 713 I CA -0.573 60.996 61.300 0.448 0.000 1.051 713 I CB 2.292 40.447 38.000 0.258 0.000 1.234 713 I HN -0.068 nan 8.210 nan 0.000 0.425 714 Q N 3.493 123.603 119.800 0.518 0.000 2.451 714 Q HA 0.839 5.179 4.340 -0.000 0.000 0.281 714 Q C -1.028 175.080 176.000 0.181 0.000 1.099 714 Q CA -1.105 54.865 55.803 0.279 0.000 0.806 714 Q CB 3.165 32.129 28.738 0.377 0.000 1.419 714 Q HN 0.760 nan 8.270 nan 0.000 0.427 715 A N 1.307 124.020 122.820 -0.180 0.000 2.317 715 A HA 0.821 5.140 4.320 -0.000 0.000 0.327 715 A C -1.329 175.947 177.584 -0.513 0.000 1.178 715 A CA -0.221 51.730 52.037 -0.144 0.000 0.817 715 A CB 0.347 19.284 19.000 -0.106 0.000 1.189 715 A HN 0.518 nan 8.150 nan 0.000 0.489 716 F N -0.504 119.419 119.950 -0.045 0.000 2.613 716 F HA 0.490 5.017 4.527 -0.001 0.000 0.314 716 F C 0.231 175.944 175.800 -0.145 0.000 1.075 716 F CA -0.534 57.402 58.000 -0.106 0.000 0.945 716 F CB 2.246 41.218 39.000 -0.047 0.000 1.310 716 F HN 0.625 nan 8.300 nan 0.000 0.467 717 Q N 2.961 122.717 119.800 -0.073 0.000 2.294 717 Q HA 0.394 4.734 4.340 -0.000 0.000 0.257 717 Q C -2.648 173.331 176.000 -0.034 0.000 0.955 717 Q CA -1.811 53.916 55.803 -0.126 0.000 0.936 717 Q CB 1.308 29.878 28.738 -0.281 0.000 1.188 717 Q HN 0.143 nan 8.270 nan 0.000 0.420 718 P HA 0.077 nan 4.420 nan 0.000 0.281 718 P C -1.376 175.886 177.300 -0.063 0.000 1.252 718 P CA -0.221 62.861 63.100 -0.030 0.000 0.778 718 P CB 1.065 32.759 31.700 -0.010 0.000 0.895 719 V N 5.545 125.430 119.914 -0.048 0.000 2.304 719 V HA 0.154 4.274 4.120 -0.000 0.000 0.278 719 V C 0.195 176.244 176.094 -0.075 0.000 1.018 719 V CA -0.795 61.474 62.300 -0.052 0.000 0.814 719 V CB 0.711 32.521 31.823 -0.023 0.000 1.021 719 V HN 0.395 nan 8.190 nan 0.000 0.440 720 L N 6.290 127.448 121.223 -0.108 0.000 2.559 720 L HA 0.208 4.548 4.340 -0.000 0.000 0.282 720 L C 0.256 177.049 176.870 -0.129 0.000 1.232 720 L CA 1.071 55.824 54.840 -0.144 0.000 0.885 720 L CB 0.330 42.263 42.059 -0.211 0.000 1.131 720 L HN 0.640 nan 8.230 nan 0.000 0.498 721 V N -0.796 119.039 119.914 -0.131 0.000 3.159 721 V HA 0.640 4.760 4.120 -0.000 0.000 0.308 721 V C -0.433 175.599 176.094 -0.105 0.000 1.190 721 V CA -1.219 61.018 62.300 -0.104 0.000 1.037 721 V CB 1.905 33.680 31.823 -0.080 0.000 1.060 721 V HN 0.566 nan 8.190 nan 0.000 0.437 722 E N 1.169 121.324 120.200 -0.075 0.000 2.390 722 E HA 0.597 4.946 4.350 -0.000 0.000 0.261 722 E C 0.682 177.255 176.600 -0.045 0.000 1.076 722 E CA 1.161 57.530 56.400 -0.053 0.000 0.905 722 E CB 0.887 30.568 29.700 -0.031 0.000 0.984 722 E HN 1.677 nan 8.360 nan 0.000 0.427 723 G N 1.783 110.566 108.800 -0.028 0.000 2.568 723 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.222 723 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.222 723 G C 0.321 175.207 174.900 -0.024 0.000 1.321 723 G CA -0.015 45.071 45.100 -0.023 0.000 0.893 723 G HN 0.431 nan 8.290 nan 0.000 0.569 724 Q N -0.306 119.479 119.800 -0.023 0.000 2.481 724 Q HA 0.224 4.563 4.340 -0.000 0.000 0.219 724 Q C 2.208 178.191 176.000 -0.028 0.000 0.920 724 Q CA 1.116 56.906 55.803 -0.021 0.000 0.915 724 Q CB -0.376 28.354 28.738 -0.014 0.000 1.057 724 Q HN 1.190 nan 8.270 nan 0.000 0.581 725 S N 0.668 116.351 115.700 -0.030 0.000 2.587 725 S HA 0.268 4.738 4.470 -0.000 0.000 0.260 725 S C 0.445 175.021 174.600 -0.040 0.000 1.353 725 S CA -0.224 57.958 58.200 -0.029 0.000 0.995 725 S CB 0.503 63.686 63.200 -0.028 0.000 0.912 725 S HN 0.198 nan 8.310 nan 0.000 0.568 726 I N 1.243 121.791 120.570 -0.037 0.000 2.389 726 I HA 0.223 4.392 4.170 -0.000 0.000 0.288 726 I C 0.108 176.196 176.117 -0.049 0.000 0.999 726 I CA -0.427 60.839 61.300 -0.056 0.000 1.129 726 I CB 1.644 39.599 38.000 -0.077 0.000 1.288 726 I HN 0.642 nan 8.210 nan 0.000 0.444 727 Q N 5.561 125.320 119.800 -0.070 0.000 2.293 727 Q HA 0.336 4.676 4.340 -0.000 0.000 0.263 727 Q C -0.949 175.000 176.000 -0.085 0.000 1.002 727 Q CA -0.448 55.310 55.803 -0.075 0.000 0.910 727 Q CB 1.879 30.566 28.738 -0.086 0.000 1.185 727 Q HN 0.343 nan 8.270 nan 0.000 0.401 728 L N 2.399 123.605 121.223 -0.028 0.000 2.333 728 L HA 0.332 4.672 4.340 -0.000 0.000 0.269 728 L C -0.556 176.344 176.870 0.049 0.000 1.010 728 L CA -0.741 54.073 54.840 -0.042 0.000 0.818 728 L CB 1.519 43.599 42.059 0.035 0.000 1.306 728 L HN 0.577 nan 8.230 nan 0.000 0.430 729 H N 5.421 124.491 119.070 -0.001 0.000 2.803 729 H HA 0.219 4.775 4.556 -0.000 0.000 0.330 729 H C -1.965 173.500 175.328 0.228 0.000 1.057 729 H CA -1.446 54.684 56.048 0.137 0.000 1.458 729 H CB 1.517 31.400 29.762 0.202 0.000 1.470 729 H HN 0.507 nan 8.280 nan 0.000 0.560 730 P HA -0.186 nan 4.420 nan 0.000 0.215 730 P C 1.820 179.398 177.300 0.464 0.000 1.157 730 P CA 1.010 64.291 63.100 0.301 0.000 0.874 730 P CB 0.432 32.311 31.700 0.297 0.000 0.790 731 L N -0.213 121.428 121.223 0.697 0.000 2.191 731 L HA -0.113 4.227 4.340 -0.000 0.000 0.212 731 L C 2.495 179.547 176.870 0.303 0.000 1.103 731 L CA 1.244 56.333 54.840 0.415 0.000 0.769 731 L CB -0.664 41.564 42.059 0.283 0.000 0.908 731 L HN -0.088 nan 8.230 nan 0.000 0.438 732 V N -6.099 114.050 119.914 0.392 0.000 3.461 732 V HA -0.099 4.020 4.120 -0.000 0.000 0.267 732 V C 2.190 178.511 176.094 0.378 0.000 1.186 732 V CA 0.461 62.969 62.300 0.347 0.000 1.154 732 V CB -1.001 31.140 31.823 0.529 0.000 0.802 732 V HN 0.402 nan 8.190 nan 0.000 0.474 733 C N 0.541 120.045 119.300 0.340 0.000 2.409 733 C HA -0.114 4.346 4.460 -0.000 0.000 0.284 733 C C 2.733 177.837 174.990 0.191 0.000 1.354 733 C CA 1.456 60.623 59.018 0.248 0.000 1.787 733 C CB -1.055 26.810 27.740 0.208 0.000 1.900 733 C HN 0.654 nan 8.230 nan 0.000 0.520 734 E N 0.588 120.890 120.200 0.169 0.000 2.051 734 E HA -0.078 4.272 4.350 -0.000 0.000 0.189 734 E C 2.409 179.066 176.600 0.096 0.000 0.979 734 E CA 1.060 57.528 56.400 0.113 0.000 0.803 734 E CB -0.258 29.497 29.700 0.093 0.000 0.761 734 E HN 0.625 nan 8.360 nan 0.000 0.451 735 A N 1.878 124.727 122.820 0.049 0.000 1.849 735 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 735 A C 0.779 178.364 177.584 0.002 0.000 1.225 735 A CA 1.311 53.310 52.037 -0.064 0.000 0.653 735 A CB -1.261 17.521 19.000 -0.363 0.000 0.844 735 A HN 0.168 nan 8.150 nan 0.000 0.453 736 F N 0.518 120.561 119.950 0.155 0.000 2.506 736 F HA 0.224 4.751 4.527 -0.000 0.000 0.371 736 F C 0.734 176.542 175.800 0.013 0.000 1.078 736 F CA -0.548 57.501 58.000 0.082 0.000 1.195 736 F CB -0.486 38.539 39.000 0.042 0.000 1.099 736 F HN 0.237 nan 8.300 nan 0.000 0.548 737 N N 3.292 122.066 118.700 0.122 0.000 2.383 737 N HA 0.253 4.993 4.740 -0.000 0.000 0.295 737 N C -0.970 174.558 175.510 0.031 0.000 1.281 737 N CA 0.160 53.238 53.050 0.047 0.000 1.048 737 N CB -0.145 38.339 38.487 -0.004 0.000 1.455 737 N HN 0.703 nan 8.380 nan 0.000 0.488 738 A N 3.018 125.844 122.820 0.010 0.000 2.414 738 A HA 0.384 4.704 4.320 -0.000 0.000 0.286 738 A C -0.889 176.538 177.584 -0.261 0.000 1.073 738 A CA -0.978 50.984 52.037 -0.124 0.000 0.727 738 A CB 0.776 19.686 19.000 -0.150 0.000 1.215 738 A HN 0.645 nan 8.150 nan 0.000 0.430 739 D N 0.415 120.648 120.400 -0.277 0.000 2.494 739 D HA 0.523 5.163 4.640 -0.000 0.000 0.259 739 D C -0.752 175.271 176.300 -0.461 0.000 1.109 739 D CA -0.826 53.008 54.000 -0.276 0.000 1.040 739 D CB 0.742 41.496 40.800 -0.076 0.000 1.175 739 D HN 0.231 nan 8.370 nan 0.000 0.584 740 F N 0.076 120.016 119.950 -0.017 0.000 2.883 740 F HA 0.155 4.681 4.527 -0.000 0.000 0.312 740 F C 0.465 176.246 175.800 -0.032 0.000 1.246 740 F CA -0.697 57.284 58.000 -0.032 0.000 1.238 740 F CB 0.108 39.082 39.000 -0.044 0.000 1.195 740 F HN 0.173 nan 8.300 nan 0.000 0.526 741 D N -1.047 119.386 120.400 0.055 0.000 2.491 741 D HA 0.293 4.932 4.640 -0.000 0.000 0.228 741 D C 1.501 177.811 176.300 0.016 0.000 1.183 741 D CA -0.049 53.973 54.000 0.037 0.000 0.827 741 D CB 0.355 41.164 40.800 0.015 0.000 0.989 741 D HN 0.403 nan 8.370 nan 0.000 0.494 742 G N 0.226 109.039 108.800 0.021 0.000 2.192 742 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.193 742 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.193 742 G C -0.447 174.437 174.900 -0.027 0.000 0.999 742 G CA -0.398 44.704 45.100 0.003 0.000 0.659 742 G HN 0.394 nan 8.290 nan 0.000 0.503 743 D N 1.317 121.679 120.400 -0.062 0.000 2.449 743 D HA 0.449 5.089 4.640 -0.000 0.000 0.236 743 D C 0.887 177.133 176.300 -0.090 0.000 1.149 743 D CA 0.830 54.774 54.000 -0.094 0.000 0.878 743 D CB 0.417 41.122 40.800 -0.159 0.000 1.198 743 D HN 0.695 nan 8.370 nan 0.000 0.446 744 Q N 0.934 120.683 119.800 -0.085 0.000 2.365 744 Q HA 0.665 5.005 4.340 -0.000 0.000 0.269 744 Q C -0.991 174.941 176.000 -0.113 0.000 1.061 744 Q CA -0.891 54.861 55.803 -0.085 0.000 0.816 744 Q CB 2.199 30.902 28.738 -0.059 0.000 1.325 744 Q HN 0.372 nan 8.270 nan 0.000 0.446 745 M N 1.307 120.824 119.600 -0.138 0.000 2.528 745 M HA 0.731 5.211 4.480 -0.000 0.000 0.321 745 M C -0.887 175.314 176.300 -0.165 0.000 1.153 745 M CA -0.858 54.334 55.300 -0.179 0.000 0.951 745 M CB 2.429 34.868 32.600 -0.269 0.000 1.705 745 M HN 0.860 nan 8.290 nan 0.000 0.451 746 A N 1.718 124.428 122.820 -0.183 0.000 2.303 746 A HA 0.790 5.109 4.320 -0.000 0.000 0.317 746 A C -1.029 176.345 177.584 -0.350 0.000 1.149 746 A CA -0.699 51.197 52.037 -0.234 0.000 0.822 746 A CB 1.273 20.143 19.000 -0.216 0.000 1.131 746 A HN 0.714 nan 8.150 nan 0.000 0.493 747 V N 3.225 122.912 119.914 -0.378 0.000 2.680 747 V HA 0.726 4.846 4.120 -0.000 0.000 0.309 747 V C -1.138 174.726 176.094 -0.384 0.000 1.052 747 V CA -0.549 61.552 62.300 -0.332 0.000 0.908 747 V CB 1.676 33.414 31.823 -0.142 0.000 1.001 747 V HN 1.001 nan 8.190 nan 0.000 0.431 748 H N 3.913 122.987 119.070 0.008 0.000 2.855 748 H HA 0.770 5.326 4.556 -0.000 0.000 0.363 748 H C -1.029 174.278 175.328 -0.036 0.000 1.185 748 H CA -0.417 55.629 56.048 -0.003 0.000 1.174 748 H CB 2.162 31.936 29.762 0.019 0.000 1.857 748 H HN 0.676 nan 8.280 nan 0.000 0.565 749 V N 0.206 120.162 119.914 0.070 0.000 2.525 749 V HA 0.349 4.469 4.120 -0.000 0.000 0.299 749 V C -2.693 173.358 176.094 -0.072 0.000 1.034 749 V CA -2.100 60.147 62.300 -0.088 0.000 0.863 749 V CB 1.573 33.161 31.823 -0.391 0.000 0.999 749 V HN 0.506 nan 8.190 nan 0.000 0.423 750 P HA 0.348 nan 4.420 nan 0.000 0.274 750 P C 0.784 178.062 177.300 -0.036 0.000 1.291 750 P CA -0.051 63.042 63.100 -0.012 0.000 0.815 750 P CB 0.763 32.474 31.700 0.018 0.000 0.897 751 L N 0.930 122.134 121.223 -0.031 0.000 2.023 751 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 751 L C 1.393 178.325 176.870 0.102 0.000 1.073 751 L CA 0.962 55.808 54.840 0.011 0.000 0.745 751 L CB -0.773 41.264 42.059 -0.038 0.000 0.900 751 L HN 0.305 nan 8.230 nan 0.000 0.435 752 S N -0.347 115.403 115.700 0.083 0.000 2.572 752 S HA 0.017 4.487 4.470 -0.000 0.000 0.279 752 S C 1.312 175.993 174.600 0.135 0.000 1.341 752 S CA -0.333 57.937 58.200 0.117 0.000 1.043 752 S CB 1.159 64.428 63.200 0.115 0.000 0.887 752 S HN 0.181 nan 8.310 nan 0.000 0.516 753 S N 3.486 119.268 115.700 0.136 0.000 2.474 753 S HA -0.015 4.455 4.470 -0.000 0.000 0.235 753 S C 1.125 175.777 174.600 0.086 0.000 0.997 753 S CA 0.716 58.974 58.200 0.096 0.000 0.949 753 S CB -0.360 62.880 63.200 0.067 0.000 0.766 753 S HN 0.770 nan 8.310 nan 0.000 0.517 754 F N 1.654 121.613 119.950 0.015 0.000 2.179 754 F HA 0.066 4.592 4.527 -0.000 0.000 0.292 754 F C 2.401 178.201 175.800 -0.000 0.000 1.089 754 F CA 0.623 58.624 58.000 0.001 0.000 1.295 754 F CB -0.273 38.722 39.000 -0.008 0.000 1.041 754 F HN 0.210 nan 8.300 nan 0.000 0.487 755 A N -0.121 122.861 122.820 0.271 0.000 1.883 755 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 755 A C 1.947 179.598 177.584 0.110 0.000 1.186 755 A CA 1.942 54.067 52.037 0.147 0.000 0.624 755 A CB -1.016 18.032 19.000 0.079 0.000 0.822 755 A HN 0.472 nan 8.150 nan 0.000 0.444 756 Q N -0.046 119.806 119.800 0.087 0.000 2.077 756 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 756 Q C 2.088 178.113 176.000 0.042 0.000 0.989 756 Q CA 2.411 58.242 55.803 0.047 0.000 0.853 756 Q CB -0.751 28.007 28.738 0.033 0.000 0.907 756 Q HN 0.580 nan 8.270 nan 0.000 0.418 757 A N 1.209 124.056 122.820 0.045 0.000 1.842 757 A HA -0.320 4.000 4.320 -0.000 0.000 0.217 757 A C 1.957 179.571 177.584 0.049 0.000 1.206 757 A CA 2.454 54.499 52.037 0.014 0.000 0.630 757 A CB -1.261 17.699 19.000 -0.067 0.000 0.839 757 A HN 0.711 nan 8.150 nan 0.000 0.447 758 E N 0.047 120.311 120.200 0.106 0.000 2.097 758 E HA -0.162 4.187 4.350 -0.000 0.000 0.196 758 E C 2.070 178.710 176.600 0.067 0.000 1.000 758 E CA 1.458 57.919 56.400 0.103 0.000 0.804 758 E CB -0.604 29.180 29.700 0.141 0.000 0.740 758 E HN 0.524 nan 8.360 nan 0.000 0.454 759 A N 2.614 125.469 122.820 0.059 0.000 1.873 759 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 759 A C 2.390 179.978 177.584 0.007 0.000 1.193 759 A CA 2.334 54.391 52.037 0.034 0.000 0.629 759 A CB -0.756 18.264 19.000 0.034 0.000 0.826 759 A HN 0.464 nan 8.150 nan 0.000 0.447 760 R N -1.246 119.258 120.500 0.007 0.000 2.276 760 R HA 0.142 4.481 4.340 -0.000 0.000 0.196 760 R C 1.317 177.650 176.300 0.056 0.000 0.961 760 R CA 0.812 56.903 56.100 -0.016 0.000 1.024 760 R CB -0.141 30.144 30.300 -0.026 0.000 0.940 760 R HN 0.402 nan 8.270 nan 0.000 0.480 761 I N 1.888 122.513 120.570 0.092 0.000 2.522 761 I HA -0.116 4.054 4.170 -0.000 0.000 0.240 761 I C 2.002 178.233 176.117 0.190 0.000 1.078 761 I CA 1.194 62.584 61.300 0.150 0.000 1.422 761 I CB -0.900 37.137 38.000 0.061 0.000 1.188 761 I HN 0.343 nan 8.210 nan 0.000 0.442 762 Q N -0.730 119.130 119.800 0.100 0.000 2.219 762 Q HA 0.204 4.544 4.340 -0.000 0.000 0.209 762 Q C 1.512 177.547 176.000 0.058 0.000 0.854 762 Q CA 0.202 56.049 55.803 0.074 0.000 0.960 762 Q CB 0.723 29.488 28.738 0.044 0.000 1.116 762 Q HN 0.386 nan 8.270 nan 0.000 0.500 763 M N 0.291 119.919 119.600 0.045 0.000 2.260 763 M HA 0.214 4.694 4.480 -0.000 0.000 0.295 763 M C -0.061 176.196 176.300 -0.071 0.000 1.042 763 M CA -0.395 54.906 55.300 0.001 0.000 1.116 763 M CB 0.925 33.534 32.600 0.014 0.000 1.796 763 M HN 0.325 nan 8.290 nan 0.000 0.617 764 L N 0.495 121.649 121.223 -0.114 0.000 2.489 764 L HA 0.051 4.391 4.340 -0.000 0.000 0.285 764 L C 1.290 177.955 176.870 -0.343 0.000 1.259 764 L CA 1.119 55.781 54.840 -0.296 0.000 0.828 764 L CB 0.464 42.291 42.059 -0.386 0.000 1.094 764 L HN 0.408 nan 8.230 nan 0.000 0.524 765 S N 2.763 118.117 115.700 -0.576 0.000 2.336 765 S HA -0.083 4.387 4.470 -0.000 0.000 0.214 765 S C 1.797 176.259 174.600 -0.230 0.000 1.032 765 S CA 1.017 58.943 58.200 -0.457 0.000 1.001 765 S CB -1.149 61.625 63.200 -0.709 0.000 0.953 765 S HN 1.078 nan 8.310 nan 0.000 0.430 766 A N 1.009 123.692 122.820 -0.229 0.000 2.204 766 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 766 A C 1.864 179.499 177.584 0.085 0.000 1.165 766 A CA 1.830 53.819 52.037 -0.081 0.000 0.671 766 A CB -1.034 17.931 19.000 -0.057 0.000 0.792 766 A HN 0.794 nan 8.150 nan 0.000 0.473 767 H N -0.428 118.626 119.070 -0.028 0.000 2.547 767 H HA 0.114 4.670 4.556 -0.000 0.000 0.272 767 H C -0.020 175.319 175.328 0.019 0.000 0.971 767 H CA 0.291 56.347 56.048 0.013 0.000 1.245 767 H CB 0.171 29.929 29.762 -0.006 0.000 1.440 767 H HN 0.405 nan 8.280 nan 0.000 0.540 768 N N 1.623 120.369 118.700 0.076 0.000 3.194 768 N HA 0.114 4.853 4.740 -0.000 0.000 0.271 768 N C 0.893 176.362 175.510 -0.068 0.000 1.308 768 N CA 0.003 53.050 53.050 -0.005 0.000 1.042 768 N CB 1.071 39.526 38.487 -0.053 0.000 1.310 768 N HN 0.229 nan 8.380 nan 0.000 0.502 769 L N -0.203 120.970 121.223 -0.084 0.000 2.102 769 L HA 0.166 4.506 4.340 -0.000 0.000 0.202 769 L C 0.938 177.655 176.870 -0.256 0.000 1.076 769 L CA 0.831 55.567 54.840 -0.173 0.000 0.761 769 L CB -0.008 41.909 42.059 -0.237 0.000 0.921 769 L HN 0.251 nan 8.230 nan 0.000 0.444 770 L N -0.228 120.779 121.223 -0.361 0.000 2.418 770 L HA 0.160 4.500 4.340 -0.000 0.000 0.265 770 L C 0.552 177.332 176.870 -0.150 0.000 1.143 770 L CA -0.105 54.568 54.840 -0.278 0.000 0.809 770 L CB 1.472 43.340 42.059 -0.318 0.000 1.124 770 L HN 0.026 nan 8.230 nan 0.000 0.456 771 S N 1.636 117.270 115.700 -0.110 0.000 2.562 771 S HA 0.290 4.760 4.470 -0.000 0.000 0.275 771 S C -1.782 172.808 174.600 -0.017 0.000 1.281 771 S CA -1.312 56.834 58.200 -0.090 0.000 1.045 771 S CB 1.333 64.490 63.200 -0.073 0.000 0.962 771 S HN 0.337 nan 8.310 nan 0.000 0.503 772 P HA 0.079 nan 4.420 nan 0.000 0.223 772 P C 1.031 178.404 177.300 0.122 0.000 1.151 772 P CA 0.800 63.937 63.100 0.060 0.000 0.787 772 P CB 0.095 31.792 31.700 -0.004 0.000 0.788 773 A N -0.186 122.668 122.820 0.057 0.000 1.828 773 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 773 A C 1.281 178.980 177.584 0.191 0.000 1.203 773 A CA 1.884 53.978 52.037 0.095 0.000 0.614 773 A CB -1.132 17.908 19.000 0.066 0.000 0.844 773 A HN 0.332 nan 8.150 nan 0.000 0.445 774 S N -2.853 112.907 115.700 0.099 0.000 2.600 774 S HA 0.555 5.025 4.470 -0.000 0.000 0.300 774 S C 0.716 175.314 174.600 -0.003 0.000 1.087 774 S CA -0.046 58.185 58.200 0.052 0.000 0.965 774 S CB 1.473 64.654 63.200 -0.031 0.000 1.089 774 S HN 0.869 nan 8.310 nan 0.000 0.496 775 G N 0.476 109.224 108.800 -0.086 0.000 2.990 775 G HA2 0.134 4.094 3.960 -0.000 0.000 0.206 775 G HA3 0.134 4.094 3.960 -0.000 0.000 0.206 775 G C 0.162 174.902 174.900 -0.266 0.000 1.169 775 G CA -0.016 45.017 45.100 -0.111 0.000 0.819 775 G HN 0.639 nan 8.290 nan 0.000 0.517 776 E N 0.676 120.719 120.200 -0.262 0.000 2.349 776 E HA 0.265 4.615 4.350 -0.000 0.000 0.265 776 E C -2.323 174.174 176.600 -0.172 0.000 1.064 776 E CA -2.459 53.770 56.400 -0.286 0.000 0.886 776 E CB 0.800 30.371 29.700 -0.215 0.000 1.036 776 E HN 0.002 nan 8.360 nan 0.000 0.413 777 P HA 0.069 nan 4.420 nan 0.000 0.272 777 P C 0.193 177.444 177.300 -0.080 0.000 1.230 777 P CA -0.145 62.891 63.100 -0.108 0.000 0.788 777 P CB 0.541 32.211 31.700 -0.050 0.000 0.949 778 L N 1.086 122.261 121.223 -0.081 0.000 3.086 778 L HA 0.329 4.668 4.340 -0.000 0.000 0.274 778 L C 1.307 178.163 176.870 -0.024 0.000 1.184 778 L CA 0.567 55.374 54.840 -0.054 0.000 1.002 778 L CB -0.417 41.587 42.059 -0.091 0.000 1.383 778 L HN 0.330 nan 8.230 nan 0.000 0.582 779 A N -0.587 122.218 122.820 -0.024 0.000 2.462 779 A HA 0.196 4.515 4.320 -0.000 0.000 0.261 779 A C 0.609 178.216 177.584 0.039 0.000 1.323 779 A CA -0.361 51.682 52.037 0.010 0.000 0.913 779 A CB -0.634 18.361 19.000 -0.008 0.000 1.028 779 A HN 0.186 nan 8.150 nan 0.000 0.511 780 K N 1.278 121.698 120.400 0.034 0.000 2.524 780 K HA 0.172 4.491 4.320 -0.000 0.000 0.279 780 K C -2.657 173.985 176.600 0.070 0.000 0.993 780 K CA -1.053 55.263 56.287 0.047 0.000 1.030 780 K CB -0.026 32.495 32.500 0.035 0.000 0.891 780 K HN 0.119 nan 8.250 nan 0.000 0.488 781 P HA 0.020 nan 4.420 nan 0.000 0.268 781 P C -0.714 176.636 177.300 0.084 0.000 1.205 781 P CA 0.216 63.362 63.100 0.077 0.000 0.771 781 P CB 1.003 32.742 31.700 0.065 0.000 0.858 782 S N 1.980 117.745 115.700 0.110 0.000 2.738 782 S HA 0.216 4.686 4.470 -0.000 0.000 0.284 782 S C 1.601 176.271 174.600 0.117 0.000 1.146 782 S CA -0.788 57.484 58.200 0.120 0.000 0.997 782 S CB 0.651 63.947 63.200 0.160 0.000 1.081 782 S HN 0.453 nan 8.310 nan 0.000 0.553 783 R N 1.392 121.952 120.500 0.100 0.000 2.227 783 R HA -0.302 4.037 4.340 -0.000 0.000 0.246 783 R C 0.934 177.289 176.300 0.092 0.000 1.119 783 R CA 2.565 58.709 56.100 0.074 0.000 0.930 783 R CB -1.531 28.806 30.300 0.062 0.000 0.912 783 R HN 0.559 nan 8.270 nan 0.000 0.435 784 D N 0.586 121.082 120.400 0.159 0.000 2.092 784 D HA -0.109 4.531 4.640 -0.000 0.000 0.193 784 D C 2.036 178.496 176.300 0.266 0.000 0.994 784 D CA 1.968 56.101 54.000 0.221 0.000 0.828 784 D CB -0.180 40.808 40.800 0.314 0.000 0.963 784 D HN 0.224 nan 8.370 nan 0.000 0.450 785 I N 0.825 121.550 120.570 0.258 0.000 2.091 785 I HA -0.256 3.914 4.170 -0.000 0.000 0.239 785 I C 2.170 178.332 176.117 0.075 0.000 1.061 785 I CA 0.909 62.229 61.300 0.033 0.000 1.317 785 I CB -0.668 37.256 38.000 -0.126 0.000 1.031 785 I HN 0.086 nan 8.210 nan 0.000 0.401 786 I N 0.040 120.653 120.570 0.071 0.000 2.068 786 I HA -0.308 3.862 4.170 -0.000 0.000 0.238 786 I C 2.533 178.692 176.117 0.070 0.000 1.046 786 I CA 1.538 62.876 61.300 0.064 0.000 1.306 786 I CB -1.495 36.533 38.000 0.047 0.000 1.023 786 I HN 0.271 nan 8.210 nan 0.000 0.399 787 L N 1.446 122.687 121.223 0.031 0.000 2.040 787 L HA -0.240 4.100 4.340 -0.000 0.000 0.228 787 L C 2.413 179.312 176.870 0.048 0.000 1.092 787 L CA 2.641 57.470 54.840 -0.019 0.000 0.805 787 L CB -1.641 40.386 42.059 -0.053 0.000 0.905 787 L HN 0.321 nan 8.230 nan 0.000 0.443 788 G N -0.739 108.116 108.800 0.091 0.000 2.511 788 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 788 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 788 G C 1.635 176.642 174.900 0.178 0.000 1.218 788 G CA 1.057 46.254 45.100 0.161 0.000 0.788 788 G HN 0.499 nan 8.290 nan 0.000 0.560 789 L N -0.752 120.565 121.223 0.156 0.000 2.151 789 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 789 L C 2.606 179.464 176.870 -0.020 0.000 1.084 789 L CA 1.643 56.517 54.840 0.055 0.000 0.764 789 L CB -0.528 41.539 42.059 0.014 0.000 0.891 789 L HN 0.362 nan 8.230 nan 0.000 0.435 790 Y N -0.660 119.598 120.300 -0.070 0.000 2.153 790 Y HA -0.268 4.282 4.550 -0.000 0.000 0.289 790 Y C 2.594 178.463 175.900 -0.051 0.000 1.119 790 Y CA 1.209 59.261 58.100 -0.079 0.000 1.116 790 Y CB -0.651 37.783 38.460 -0.043 0.000 1.004 790 Y HN -0.045 nan 8.280 nan 0.000 0.501 791 Y N 0.544 120.945 120.300 0.169 0.000 2.228 791 Y HA -0.300 4.250 4.550 -0.001 0.000 0.285 791 Y C 2.520 178.314 175.900 -0.178 0.000 1.178 791 Y CA 1.934 59.997 58.100 -0.061 0.000 1.202 791 Y CB -0.482 37.898 38.460 -0.133 0.000 0.974 791 Y HN 0.383 nan 8.280 nan 0.000 0.527 792 I N -0.894 119.631 120.570 -0.076 0.000 2.876 792 I HA -0.133 4.037 4.170 -0.000 0.000 0.264 792 I C 1.789 177.765 176.117 -0.234 0.000 1.204 792 I CA 1.640 62.793 61.300 -0.245 0.000 1.485 792 I CB -0.105 37.572 38.000 -0.539 0.000 1.103 792 I HN 0.299 nan 8.210 nan 0.000 0.446 793 T N -2.189 112.216 114.554 -0.248 0.000 3.022 793 T HA 0.086 4.435 4.350 -0.000 0.000 0.250 793 T C 0.953 175.508 174.700 -0.241 0.000 1.060 793 T CA -0.251 61.696 62.100 -0.254 0.000 1.013 793 T CB -0.100 68.558 68.868 -0.351 0.000 0.982 793 T HN 0.208 nan 8.240 nan 0.000 0.508 794 Q N 2.016 121.662 119.800 -0.256 0.000 2.454 794 Q HA 0.436 4.776 4.340 -0.000 0.000 0.247 794 Q C -0.588 175.407 176.000 -0.009 0.000 1.028 794 Q CA -0.207 55.500 55.803 -0.160 0.000 0.910 794 Q CB 0.910 29.649 28.738 0.002 0.000 1.276 794 Q HN 0.377 nan 8.270 nan 0.000 0.489 795 V N 2.046 121.935 119.914 -0.042 0.000 2.919 795 V HA 0.681 4.801 4.120 -0.000 0.000 0.316 795 V C -0.155 175.847 176.094 -0.153 0.000 1.077 795 V CA -1.100 61.168 62.300 -0.054 0.000 0.977 795 V CB 1.893 33.679 31.823 -0.061 0.000 1.039 795 V HN 0.740 nan 8.190 nan 0.000 0.441 796 R N 1.136 121.541 120.500 -0.159 0.000 2.668 796 R HA 0.740 5.079 4.340 -0.000 0.000 0.279 796 R C -1.120 175.076 176.300 -0.173 0.000 0.976 796 R CA -0.923 55.014 56.100 -0.272 0.000 0.978 796 R CB 2.085 32.241 30.300 -0.239 0.000 1.133 796 R HN 0.672 nan 8.270 nan 0.000 0.484 797 K N 0.965 121.252 120.400 -0.187 0.000 2.427 797 K HA 0.270 4.589 4.320 -0.000 0.000 0.252 797 K C -0.545 175.986 176.600 -0.115 0.000 0.931 797 K CA -0.514 55.699 56.287 -0.123 0.000 0.793 797 K CB 2.875 35.310 32.500 -0.108 0.000 1.211 797 K HN 0.535 nan 8.250 nan 0.000 0.426 798 E N 1.045 121.194 120.200 -0.084 0.000 3.508 798 E HA 0.252 4.602 4.350 -0.000 0.000 0.199 798 E C -1.074 175.489 176.600 -0.062 0.000 0.811 798 E CA -0.685 55.673 56.400 -0.070 0.000 1.314 798 E CB 0.813 30.481 29.700 -0.053 0.000 1.856 798 E HN 0.300 nan 8.360 nan 0.000 0.373 799 K N 1.922 122.292 120.400 -0.051 0.000 2.240 799 K HA 0.210 4.530 4.320 -0.000 0.000 0.271 799 K C -1.208 175.362 176.600 -0.049 0.000 1.018 799 K CA -0.296 55.963 56.287 -0.047 0.000 0.874 799 K CB 1.267 33.744 32.500 -0.038 0.000 1.098 799 K HN 0.308 nan 8.250 nan 0.000 0.458 800 K N 3.718 124.087 120.400 -0.052 0.000 2.219 800 K HA 0.149 4.468 4.320 -0.000 0.000 0.280 800 K C 1.004 177.572 176.600 -0.054 0.000 1.104 800 K CA -0.062 56.189 56.287 -0.059 0.000 0.925 800 K CB 0.011 32.475 32.500 -0.059 0.000 1.261 800 K HN 0.869 nan 8.250 nan 0.000 0.445 801 G N 2.755 111.523 108.800 -0.054 0.000 2.485 801 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.221 801 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.221 801 G C 0.432 175.307 174.900 -0.042 0.000 1.115 801 G CA 0.997 46.072 45.100 -0.042 0.000 0.751 801 G HN 0.767 nan 8.290 nan 0.000 0.567 802 A N -2.153 120.630 122.820 -0.061 0.000 4.047 802 A HA 0.636 4.956 4.320 -0.000 0.000 0.273 802 A C 0.602 178.138 177.584 -0.080 0.000 1.016 802 A CA 0.142 52.146 52.037 -0.054 0.000 0.565 802 A CB -0.619 18.360 19.000 -0.034 0.000 1.701 802 A HN 1.415 nan 8.150 nan 0.000 0.814 803 G N -0.175 108.590 108.800 -0.058 0.000 2.168 803 G HA2 0.404 4.363 3.960 -0.000 0.000 0.240 803 G HA3 0.404 4.363 3.960 -0.000 0.000 0.240 803 G C 0.505 175.312 174.900 -0.154 0.000 1.080 803 G CA 0.664 45.732 45.100 -0.053 0.000 0.877 803 G HN 1.676 nan 8.290 nan 0.000 0.446 804 L N -0.398 120.774 121.223 -0.085 0.000 2.965 804 L HA 0.432 4.771 4.340 -0.000 0.000 0.254 804 L C 0.262 177.143 176.870 0.020 0.000 1.220 804 L CA -0.510 54.277 54.840 -0.088 0.000 1.023 804 L CB 0.397 42.429 42.059 -0.046 0.000 1.355 804 L HN 0.261 nan 8.230 nan 0.000 0.545 805 E N 1.116 121.372 120.200 0.095 0.000 1.852 805 E HA 0.034 4.384 4.350 -0.000 0.000 0.276 805 E C -0.098 176.694 176.600 0.320 0.000 1.163 805 E CA -0.008 56.499 56.400 0.179 0.000 1.117 805 E CB 0.327 30.113 29.700 0.142 0.000 1.124 805 E HN 0.477 nan 8.360 nan 0.000 0.458 806 F N 1.464 121.495 119.950 0.136 0.000 2.720 806 F HA 0.312 4.839 4.527 -0.000 0.000 0.301 806 F C 1.849 177.679 175.800 0.050 0.000 1.103 806 F CA -0.010 58.063 58.000 0.121 0.000 1.291 806 F CB 0.216 39.291 39.000 0.126 0.000 1.086 806 F HN 0.301 nan 8.300 nan 0.000 0.592 807 A N 0.212 122.984 122.820 -0.081 0.000 2.159 807 A HA -0.195 4.124 4.320 -0.000 0.000 0.222 807 A C 1.818 179.239 177.584 -0.272 0.000 1.163 807 A CA 2.879 54.809 52.037 -0.178 0.000 0.664 807 A CB -1.162 17.804 19.000 -0.056 0.000 0.803 807 A HN 0.567 nan 8.150 nan 0.000 0.470 808 T N -5.955 108.443 114.554 -0.260 0.000 3.434 808 T HA 0.245 4.595 4.350 -0.000 0.000 0.279 808 T C -2.181 172.410 174.700 -0.181 0.000 0.955 808 T CA -0.156 61.818 62.100 -0.212 0.000 1.048 808 T CB -1.058 67.749 68.868 -0.102 0.000 1.186 808 T HN 0.205 nan 8.240 nan 0.000 0.485 809 P HA 0.382 nan 4.420 nan 0.000 0.275 809 P C 0.507 177.832 177.300 0.042 0.000 1.227 809 P CA -0.252 62.832 63.100 -0.027 0.000 0.781 809 P CB 1.193 32.891 31.700 -0.004 0.000 0.906 810 E N 1.057 121.279 120.200 0.037 0.000 2.276 810 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 810 E C 1.308 177.937 176.600 0.048 0.000 0.983 810 E CA 0.314 56.774 56.400 0.100 0.000 0.861 810 E CB -0.202 29.530 29.700 0.053 0.000 0.817 810 E HN 0.488 nan 8.360 nan 0.000 0.485 811 E N 0.138 120.330 120.200 -0.014 0.000 2.511 811 E HA 0.009 4.359 4.350 -0.000 0.000 0.196 811 E C 1.421 177.925 176.600 -0.159 0.000 1.066 811 E CA 0.578 56.940 56.400 -0.063 0.000 0.871 811 E CB 0.099 29.765 29.700 -0.057 0.000 0.863 811 E HN 0.445 nan 8.360 nan 0.000 0.520 812 A N 0.175 122.911 122.820 -0.140 0.000 2.095 812 A HA 0.011 4.331 4.320 -0.000 0.000 0.212 812 A C 1.921 179.398 177.584 -0.179 0.000 1.162 812 A CA 0.319 52.113 52.037 -0.404 0.000 0.753 812 A CB -0.118 18.842 19.000 -0.066 0.000 0.840 812 A HN 0.313 nan 8.150 nan 0.000 0.468 813 L N -1.945 119.288 121.223 0.017 0.000 2.102 813 L HA 0.354 4.694 4.340 -0.000 0.000 0.202 813 L C 2.291 179.067 176.870 -0.157 0.000 1.076 813 L CA 1.831 56.548 54.840 -0.205 0.000 0.761 813 L CB -1.441 40.578 42.059 -0.066 0.000 0.921 813 L HN 0.105 nan 8.230 nan 0.000 0.444 814 A N 0.764 123.529 122.820 -0.091 0.000 1.825 814 A HA 0.073 4.393 4.320 -0.000 0.000 0.214 814 A C 2.553 180.090 177.584 -0.077 0.000 1.206 814 A CA 2.252 54.244 52.037 -0.075 0.000 0.609 814 A CB -1.459 17.511 19.000 -0.050 0.000 0.851 814 A HN 0.581 nan 8.150 nan 0.000 0.445 815 A N -0.982 121.776 122.820 -0.104 0.000 1.873 815 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 815 A C 2.006 179.595 177.584 0.009 0.000 1.193 815 A CA 2.078 54.070 52.037 -0.075 0.000 0.629 815 A CB -1.138 17.789 19.000 -0.122 0.000 0.826 815 A HN 0.664 nan 8.150 nan 0.000 0.447 816 H N -0.824 118.223 119.070 -0.039 0.000 2.521 816 H HA -0.003 4.553 4.556 -0.000 0.000 0.286 816 H C 1.832 177.104 175.328 -0.093 0.000 1.034 816 H CA 1.251 57.265 56.048 -0.058 0.000 1.278 816 H CB -0.070 29.655 29.762 -0.062 0.000 1.386 816 H HN 0.694 nan 8.280 nan 0.000 0.567 817 E N 0.640 120.839 120.200 -0.002 0.000 2.318 817 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 817 E C 1.512 178.088 176.600 -0.039 0.000 0.998 817 E CA 0.036 56.399 56.400 -0.061 0.000 0.859 817 E CB 0.406 30.040 29.700 -0.109 0.000 0.812 817 E HN 0.418 nan 8.360 nan 0.000 0.492 818 R N -0.878 119.611 120.500 -0.018 0.000 2.189 818 R HA 0.107 4.447 4.340 -0.000 0.000 0.203 818 R C 2.299 178.600 176.300 0.001 0.000 1.012 818 R CA 0.745 56.839 56.100 -0.011 0.000 1.015 818 R CB -0.087 30.207 30.300 -0.010 0.000 0.938 818 R HN 0.017 nan 8.270 nan 0.000 0.472 819 G N 1.153 109.964 108.800 0.018 0.000 2.471 819 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 819 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 819 G C 1.342 176.244 174.900 0.003 0.000 1.125 819 G CA 0.294 45.408 45.100 0.023 0.000 0.775 819 G HN 0.170 nan 8.290 nan 0.000 0.548 820 E N 0.848 121.042 120.200 -0.009 0.000 2.076 820 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 820 E C 2.676 179.266 176.600 -0.018 0.000 0.979 820 E CA 0.639 57.022 56.400 -0.028 0.000 0.807 820 E CB -0.337 29.329 29.700 -0.055 0.000 0.761 820 E HN 0.226 nan 8.360 nan 0.000 0.454 821 V N 1.715 121.621 119.914 -0.014 0.000 2.568 821 V HA -0.177 3.943 4.120 -0.000 0.000 0.253 821 V C 1.931 178.027 176.094 0.002 0.000 1.072 821 V CA 1.288 63.586 62.300 -0.004 0.000 1.084 821 V CB -1.045 30.776 31.823 -0.003 0.000 0.676 821 V HN 0.300 nan 8.190 nan 0.000 0.469 822 A N -0.172 122.648 122.820 0.001 0.000 2.911 822 A HA 0.448 4.768 4.320 -0.000 0.000 0.202 822 A C 1.042 178.628 177.584 0.003 0.000 2.026 822 A CA 0.331 52.370 52.037 0.004 0.000 0.923 822 A CB -0.052 18.951 19.000 0.005 0.000 1.859 822 A HN 0.285 nan 8.150 nan 0.000 0.782 823 L N -0.602 120.622 121.223 0.002 0.000 2.906 823 L HA 0.219 4.558 4.340 -0.000 0.000 0.255 823 L C 1.761 178.628 176.870 -0.004 0.000 1.166 823 L CA 0.133 54.974 54.840 0.001 0.000 0.977 823 L CB -0.156 41.905 42.059 0.004 0.000 1.313 823 L HN 0.793 nan 8.230 nan 0.000 0.549 824 N N 0.724 119.421 118.700 -0.006 0.000 2.124 824 N HA 0.019 4.758 4.740 -0.000 0.000 0.188 824 N C 0.833 176.328 175.510 -0.026 0.000 1.045 824 N CA 0.736 53.779 53.050 -0.012 0.000 0.846 824 N CB 0.248 38.733 38.487 -0.004 0.000 1.020 824 N HN 0.236 nan 8.380 nan 0.000 0.432 825 A N 1.600 124.401 122.820 -0.032 0.000 2.253 825 A HA 0.494 4.814 4.320 -0.000 0.000 0.316 825 A C -2.485 175.067 177.584 -0.052 0.000 1.327 825 A CA -1.415 50.589 52.037 -0.055 0.000 0.917 825 A CB 1.002 19.957 19.000 -0.075 0.000 1.162 825 A HN 0.188 nan 8.150 nan 0.000 0.535 826 P HA 0.116 nan 4.420 nan 0.000 0.270 826 P C 0.487 177.752 177.300 -0.058 0.000 1.223 826 P CA -0.260 62.813 63.100 -0.045 0.000 0.785 826 P CB 0.446 32.121 31.700 -0.041 0.000 0.923 827 I N 0.323 120.864 120.570 -0.049 0.000 3.241 827 I HA -0.127 4.043 4.170 -0.000 0.000 0.280 827 I C 0.492 176.572 176.117 -0.062 0.000 1.320 827 I CA 1.385 62.645 61.300 -0.067 0.000 1.413 827 I CB -1.237 36.745 38.000 -0.031 0.000 1.060 827 I HN 0.277 nan 8.210 nan 0.000 0.500 828 K N -0.352 120.015 120.400 -0.056 0.000 3.098 828 K HA 0.455 4.774 4.320 -0.000 0.000 0.204 828 K C -1.138 175.426 176.600 -0.059 0.000 1.210 828 K CA -0.235 56.020 56.287 -0.054 0.000 0.899 828 K CB 0.976 33.445 32.500 -0.051 0.000 1.176 828 K HN -0.188 nan 8.250 nan 0.000 0.585 829 V N 1.077 120.954 119.914 -0.063 0.000 2.612 829 V HA 0.513 4.632 4.120 -0.000 0.000 0.301 829 V C 0.504 176.565 176.094 -0.054 0.000 1.046 829 V CA -1.020 61.241 62.300 -0.064 0.000 0.946 829 V CB 1.678 33.452 31.823 -0.082 0.000 1.003 829 V HN 0.686 nan 8.190 nan 0.000 0.459 830 A N 3.264 126.054 122.820 -0.051 0.000 2.618 830 A HA 0.519 4.839 4.320 -0.000 0.000 0.293 830 A C 0.719 178.282 177.584 -0.035 0.000 1.413 830 A CA 0.555 52.569 52.037 -0.038 0.000 1.074 830 A CB -0.857 18.122 19.000 -0.036 0.000 1.087 830 A HN 1.187 nan 8.150 nan 0.000 0.553 831 G N 2.276 111.065 108.800 -0.019 0.000 3.003 831 G HA2 0.419 4.379 3.960 -0.000 0.000 0.293 831 G HA3 0.419 4.379 3.960 -0.000 0.000 0.293 831 G C 0.520 175.446 174.900 0.042 0.000 1.553 831 G CA -0.536 44.568 45.100 0.007 0.000 1.078 831 G HN 0.707 nan 8.290 nan 0.000 0.550 832 R N 1.575 122.097 120.500 0.038 0.000 2.491 832 R HA -0.287 4.053 4.340 -0.000 0.000 0.201 832 R C 2.265 178.597 176.300 0.054 0.000 1.000 832 R CA 2.636 58.758 56.100 0.036 0.000 0.746 832 R CB -0.455 29.860 30.300 0.026 0.000 0.823 832 R HN 0.503 nan 8.270 nan 0.000 0.407 833 E N -0.895 119.350 120.200 0.074 0.000 2.035 833 E HA -0.097 4.253 4.350 -0.000 0.000 0.204 833 E C 0.339 177.012 176.600 0.123 0.000 1.025 833 E CA 2.095 58.549 56.400 0.090 0.000 0.835 833 E CB -0.234 29.513 29.700 0.079 0.000 0.764 833 E HN 0.715 nan 8.360 nan 0.000 0.457 834 T N -2.335 112.334 114.554 0.193 0.000 3.032 834 T HA 0.514 4.864 4.350 -0.000 0.000 0.312 834 T C -0.273 174.456 174.700 0.048 0.000 1.078 834 T CA -0.638 61.529 62.100 0.111 0.000 1.028 834 T CB 1.593 70.524 68.868 0.104 0.000 1.091 834 T HN 0.081 nan 8.240 nan 0.000 0.457 835 S N 2.180 117.875 115.700 -0.009 0.000 2.592 835 S HA 0.273 4.742 4.470 -0.000 0.000 0.271 835 S C 1.673 176.207 174.600 -0.110 0.000 1.326 835 S CA -0.219 57.951 58.200 -0.051 0.000 1.024 835 S CB 1.246 64.414 63.200 -0.053 0.000 0.921 835 S HN 1.250 nan 8.310 nan 0.000 0.527 836 V N 3.291 123.123 119.914 -0.138 0.000 2.511 836 V HA -0.159 3.961 4.120 -0.000 0.000 0.257 836 V C 2.157 178.116 176.094 -0.225 0.000 1.088 836 V CA 2.715 64.902 62.300 -0.189 0.000 1.098 836 V CB -1.532 30.201 31.823 -0.151 0.000 0.674 836 V HN 1.106 nan 8.190 nan 0.000 0.470 837 G N -0.230 108.461 108.800 -0.182 0.000 2.475 837 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 837 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 837 G C 1.560 176.331 174.900 -0.215 0.000 1.125 837 G CA 1.061 46.038 45.100 -0.206 0.000 0.755 837 G HN 0.575 nan 8.290 nan 0.000 0.565 838 R N -0.875 119.538 120.500 -0.145 0.000 2.189 838 R HA 0.332 4.672 4.340 -0.000 0.000 0.203 838 R C 2.224 178.431 176.300 -0.154 0.000 1.012 838 R CA -0.054 55.987 56.100 -0.099 0.000 1.015 838 R CB -0.713 29.569 30.300 -0.029 0.000 0.938 838 R HN 0.287 nan 8.270 nan 0.000 0.472 839 L N 1.409 122.502 121.223 -0.218 0.000 1.989 839 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 839 L C 1.941 178.670 176.870 -0.234 0.000 1.071 839 L CA 1.902 56.592 54.840 -0.249 0.000 0.749 839 L CB -0.284 41.561 42.059 -0.357 0.000 0.890 839 L HN 0.044 nan 8.230 nan 0.000 0.431 840 K N -1.478 118.724 120.400 -0.329 0.000 1.991 840 K HA -0.154 4.166 4.320 -0.000 0.000 0.212 840 K C -0.110 176.376 176.600 -0.190 0.000 1.049 840 K CA 1.434 57.504 56.287 -0.362 0.000 0.932 840 K CB -0.216 31.851 32.500 -0.722 0.000 0.717 840 K HN 0.274 nan 8.250 nan 0.000 0.441 841 Y N 0.456 120.644 120.300 -0.188 0.000 2.331 841 Y HA 0.372 4.922 4.550 -0.000 0.000 0.338 841 Y C -0.645 174.983 175.900 -0.454 0.000 0.976 841 Y CA -1.491 56.369 58.100 -0.401 0.000 1.137 841 Y CB 1.502 39.733 38.460 -0.382 0.000 1.172 841 Y HN -0.311 nan 8.280 nan 0.000 0.478 842 V N 4.360 124.033 119.914 -0.403 0.000 2.443 842 V HA 0.345 4.464 4.120 -0.000 0.000 0.293 842 V C -0.884 174.996 176.094 -0.357 0.000 1.021 842 V CA -1.125 61.025 62.300 -0.251 0.000 0.848 842 V CB 0.801 32.554 31.823 -0.116 0.000 0.998 842 V HN 0.542 nan 8.190 nan 0.000 0.424 843 F N 2.615 122.599 119.950 0.057 0.000 2.385 843 F HA 0.706 5.233 4.527 -0.000 0.000 0.360 843 F C 1.261 177.076 175.800 0.024 0.000 1.122 843 F CA -0.199 57.823 58.000 0.037 0.000 1.090 843 F CB 1.724 40.747 39.000 0.039 0.000 1.150 843 F HN 0.605 nan 8.300 nan 0.000 0.472 844 A N 3.053 125.969 122.820 0.160 0.000 1.848 844 A HA -0.162 4.158 4.320 -0.000 0.000 0.211 844 A C 1.084 178.714 177.584 0.077 0.000 1.225 844 A CA 1.115 53.205 52.037 0.088 0.000 0.637 844 A CB -0.708 18.322 19.000 0.050 0.000 0.867 844 A HN 0.680 nan 8.150 nan 0.000 0.463 845 N N -0.219 118.514 118.700 0.056 0.000 2.415 845 N HA 0.227 4.967 4.740 -0.000 0.000 0.248 845 N C -2.041 173.488 175.510 0.032 0.000 1.271 845 N CA -1.355 51.702 53.050 0.012 0.000 0.913 845 N CB 0.691 39.179 38.487 0.003 0.000 1.129 845 N HN -0.053 nan 8.380 nan 0.000 0.444 846 P HA -0.023 nan 4.420 nan 0.000 0.216 846 P C 0.117 177.417 177.300 -0.000 0.000 1.153 846 P CA 1.129 64.247 63.100 0.030 0.000 0.844 846 P CB 0.228 31.949 31.700 0.035 0.000 0.787 847 D N -0.462 119.937 120.400 -0.002 0.000 2.104 847 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 847 D C 1.912 178.199 176.300 -0.021 0.000 0.994 847 D CA 0.971 54.968 54.000 -0.004 0.000 0.830 847 D CB -0.647 40.157 40.800 0.007 0.000 0.959 847 D HN 0.175 nan 8.370 nan 0.000 0.452 848 E N 0.448 120.654 120.200 0.011 0.000 2.136 848 E HA -0.312 4.038 4.350 -0.000 0.000 0.208 848 E C 2.099 178.656 176.600 -0.072 0.000 1.035 848 E CA 1.391 57.829 56.400 0.063 0.000 0.838 848 E CB -0.358 29.453 29.700 0.183 0.000 0.748 848 E HN 0.334 nan 8.360 nan 0.000 0.459 849 A N 0.943 123.560 122.820 -0.339 0.000 1.865 849 A HA -0.188 4.131 4.320 -0.000 0.000 0.217 849 A C 2.340 179.569 177.584 -0.593 0.000 1.191 849 A CA 1.627 53.041 52.037 -1.037 0.000 0.623 849 A CB -0.738 17.840 19.000 -0.704 0.000 0.826 849 A HN 0.160 nan 8.150 nan 0.000 0.444 850 L N -0.118 120.948 121.223 -0.262 0.000 2.131 850 L HA -0.155 4.184 4.340 -0.000 0.000 0.210 850 L C 2.414 179.253 176.870 -0.052 0.000 1.092 850 L CA 1.190 55.959 54.840 -0.119 0.000 0.759 850 L CB -0.674 41.369 42.059 -0.028 0.000 0.903 850 L HN 0.383 nan 8.230 nan 0.000 0.435 851 L N -0.934 120.269 121.223 -0.033 0.000 2.056 851 L HA -0.127 4.212 4.340 -0.000 0.000 0.207 851 L C 2.794 179.706 176.870 0.070 0.000 1.078 851 L CA 1.046 55.915 54.840 0.049 0.000 0.749 851 L CB -1.106 40.981 42.059 0.046 0.000 0.901 851 L HN 0.246 nan 8.230 nan 0.000 0.433 852 A N 0.296 123.117 122.820 0.002 0.000 1.978 852 A HA -0.129 4.190 4.320 -0.000 0.000 0.220 852 A C 2.358 179.960 177.584 0.030 0.000 1.170 852 A CA 1.887 53.943 52.037 0.032 0.000 0.636 852 A CB -0.797 18.279 19.000 0.127 0.000 0.810 852 A HN 0.217 nan 8.150 nan 0.000 0.448 853 V N -0.221 119.683 119.914 -0.017 0.000 2.244 853 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 853 V C 2.989 179.113 176.094 0.051 0.000 1.042 853 V CA 1.849 64.153 62.300 0.007 0.000 1.006 853 V CB -1.461 30.352 31.823 -0.016 0.000 0.641 853 V HN 0.577 nan 8.190 nan 0.000 0.446 854 A N -1.586 121.272 122.820 0.063 0.000 2.131 854 A HA -0.246 4.073 4.320 -0.000 0.000 0.220 854 A C 2.009 179.617 177.584 0.040 0.000 1.158 854 A CA 1.679 53.752 52.037 0.060 0.000 0.665 854 A CB -0.776 18.266 19.000 0.071 0.000 0.795 854 A HN 0.735 nan 8.150 nan 0.000 0.460 855 H N -2.079 116.993 119.070 0.004 0.000 2.586 855 H HA 0.237 4.793 4.556 -0.000 0.000 0.273 855 H C 1.598 176.928 175.328 0.004 0.000 0.997 855 H CA 0.669 56.720 56.048 0.004 0.000 1.177 855 H CB 0.438 30.200 29.762 -0.000 0.000 1.471 855 H HN 0.631 nan 8.280 nan 0.000 0.538 856 G N 1.111 109.967 108.800 0.093 0.000 2.157 856 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.239 856 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.239 856 G C 1.086 176.020 174.900 0.056 0.000 0.982 856 G CA 0.359 45.498 45.100 0.064 0.000 0.650 856 G HN 0.259 nan 8.290 nan 0.000 0.527 857 I N 0.481 121.070 120.570 0.032 0.000 2.233 857 I HA 0.081 4.251 4.170 -0.000 0.000 0.243 857 I C 1.638 177.761 176.117 0.010 0.000 1.093 857 I CA 2.116 63.390 61.300 -0.043 0.000 1.380 857 I CB -0.762 37.127 38.000 -0.185 0.000 1.067 857 I HN 0.572 nan 8.210 nan 0.000 0.413 858 V N -1.283 118.658 119.914 0.045 0.000 2.709 858 V HA 0.543 4.663 4.120 -0.000 0.000 0.308 858 V C -0.826 175.319 176.094 0.085 0.000 1.062 858 V CA -1.158 61.215 62.300 0.123 0.000 0.901 858 V CB 2.050 33.982 31.823 0.181 0.000 1.003 858 V HN -0.056 nan 8.190 nan 0.000 0.425 859 D N 2.474 122.932 120.400 0.097 0.000 2.344 859 D HA 0.402 5.042 4.640 -0.000 0.000 0.244 859 D C 1.191 177.521 176.300 0.050 0.000 1.134 859 D CA -0.295 53.748 54.000 0.072 0.000 0.930 859 D CB 1.701 42.551 40.800 0.083 0.000 1.175 859 D HN 0.574 nan 8.370 nan 0.000 0.437 860 L N 0.489 121.726 121.223 0.024 0.000 2.042 860 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 860 L C 1.518 178.381 176.870 -0.011 0.000 1.076 860 L CA 1.453 56.284 54.840 -0.016 0.000 0.749 860 L CB -0.161 41.861 42.059 -0.060 0.000 0.893 860 L HN 0.321 nan 8.230 nan 0.000 0.432 861 Q N -0.456 119.355 119.800 0.018 0.000 2.291 861 Q HA 0.069 4.409 4.340 -0.000 0.000 0.211 861 Q C -0.567 175.461 176.000 0.047 0.000 0.925 861 Q CA 0.275 56.105 55.803 0.045 0.000 0.949 861 Q CB -0.267 28.565 28.738 0.157 0.000 1.015 861 Q HN 0.217 nan 8.270 nan 0.000 0.477 862 D N -0.069 120.362 120.400 0.052 0.000 2.175 862 D HA 0.183 4.823 4.640 -0.000 0.000 0.248 862 D C -0.530 175.809 176.300 0.065 0.000 1.047 862 D CA -0.634 53.405 54.000 0.065 0.000 0.883 862 D CB 1.737 42.604 40.800 0.112 0.000 1.180 862 D HN -0.104 nan 8.370 nan 0.000 0.438 863 V N 1.866 121.807 119.914 0.046 0.000 2.387 863 V HA 0.319 4.438 4.120 -0.000 0.000 0.260 863 V C 0.591 176.731 176.094 0.077 0.000 1.054 863 V CA -0.425 61.901 62.300 0.042 0.000 0.967 863 V CB 0.093 31.921 31.823 0.009 0.000 1.036 863 V HN 0.212 nan 8.190 nan 0.000 0.481 864 V N 2.882 122.874 119.914 0.129 0.000 3.145 864 V HA 0.748 4.868 4.120 -0.000 0.000 0.311 864 V C 0.335 176.530 176.094 0.169 0.000 1.238 864 V CA -0.543 61.877 62.300 0.200 0.000 1.066 864 V CB 2.292 34.387 31.823 0.453 0.000 1.144 864 V HN 0.849 nan 8.190 nan 0.000 0.465 865 T N -0.921 113.749 114.554 0.193 0.000 2.823 865 T HA 0.830 5.180 4.350 -0.000 0.000 0.279 865 T C -0.897 173.940 174.700 0.228 0.000 0.998 865 T CA -0.625 61.562 62.100 0.146 0.000 0.994 865 T CB 1.445 70.359 68.868 0.076 0.000 0.960 865 T HN 0.559 nan 8.240 nan 0.000 0.448 866 V N 2.624 122.640 119.914 0.171 0.000 2.733 866 V HA 0.507 4.626 4.120 -0.000 0.000 0.306 866 V C -0.098 176.077 176.094 0.135 0.000 1.084 866 V CA -1.052 61.363 62.300 0.191 0.000 0.905 866 V CB 2.123 34.054 31.823 0.179 0.000 1.010 866 V HN 0.920 nan 8.190 nan 0.000 0.424 867 R N 2.915 123.491 120.500 0.126 0.000 2.242 867 R HA 0.337 4.677 4.340 -0.000 0.000 0.334 867 R C -1.225 175.130 176.300 0.092 0.000 1.071 867 R CA 0.106 56.257 56.100 0.085 0.000 0.922 867 R CB 0.457 30.787 30.300 0.051 0.000 1.023 867 R HN 0.779 nan 8.270 nan 0.000 0.458 868 Y N 2.730 122.991 120.300 -0.065 0.000 2.698 868 Y HA 0.084 4.634 4.550 -0.000 0.000 0.349 868 Y C 1.892 177.730 175.900 -0.103 0.000 1.242 868 Y CA -0.411 57.625 58.100 -0.106 0.000 1.341 868 Y CB 0.687 39.031 38.460 -0.193 0.000 1.558 868 Y HN 0.446 nan 8.280 nan 0.000 0.649 869 M N -0.110 119.345 119.600 -0.242 0.000 2.089 869 M HA -0.195 4.285 4.480 -0.000 0.000 0.257 869 M C 1.218 177.491 176.300 -0.045 0.000 1.071 869 M CA 2.537 57.743 55.300 -0.157 0.000 1.096 869 M CB -0.696 31.861 32.600 -0.071 0.000 1.330 869 M HN 0.799 nan 8.290 nan 0.000 0.403 870 G N -0.573 108.226 108.800 -0.002 0.000 3.738 870 G HA2 0.254 4.213 3.960 -0.000 0.000 0.241 870 G HA3 0.254 4.213 3.960 -0.000 0.000 0.241 870 G C -0.041 174.863 174.900 0.007 0.000 1.068 870 G CA -0.394 44.709 45.100 0.005 0.000 0.899 870 G HN 0.216 nan 8.290 nan 0.000 0.519 871 K N 0.530 120.931 120.400 0.002 0.000 2.469 871 K HA 0.487 4.807 4.320 -0.000 0.000 0.254 871 K C -0.695 175.913 176.600 0.014 0.000 0.939 871 K CA -0.908 55.378 56.287 -0.001 0.000 0.812 871 K CB 2.271 34.752 32.500 -0.031 0.000 1.301 871 K HN -0.085 nan 8.250 nan 0.000 0.433 872 R N 2.604 123.115 120.500 0.018 0.000 2.308 872 R HA 0.248 4.587 4.340 -0.000 0.000 0.325 872 R C -0.460 175.854 176.300 0.023 0.000 1.161 872 R CA -0.250 55.868 56.100 0.030 0.000 1.022 872 R CB -0.155 30.163 30.300 0.032 0.000 1.091 872 R HN 0.322 nan 8.270 nan 0.000 0.497 873 L N 2.694 123.929 121.223 0.019 0.000 2.312 873 L HA 0.233 4.573 4.340 -0.000 0.000 0.281 873 L C 0.544 177.429 176.870 0.026 0.000 1.070 873 L CA -0.284 54.556 54.840 -0.001 0.000 0.805 873 L CB 1.253 43.279 42.059 -0.055 0.000 1.174 873 L HN 0.401 nan 8.230 nan 0.000 0.434 874 E N 2.685 122.898 120.200 0.022 0.000 2.069 874 E HA 0.251 4.601 4.350 -0.000 0.000 0.254 874 E C -0.876 175.740 176.600 0.025 0.000 1.088 874 E CA -0.173 56.248 56.400 0.035 0.000 1.017 874 E CB 0.630 30.350 29.700 0.033 0.000 1.226 874 E HN 0.523 nan 8.360 nan 0.000 0.458 875 T N 0.352 114.924 114.554 0.029 0.000 2.896 875 T HA 0.255 4.605 4.350 -0.000 0.000 0.297 875 T C -0.065 174.651 174.700 0.027 0.000 1.108 875 T CA -0.888 61.220 62.100 0.014 0.000 1.004 875 T CB 1.744 70.606 68.868 -0.011 0.000 1.159 875 T HN 0.347 nan 8.240 nan 0.000 0.499 876 S N 1.697 117.403 115.700 0.010 0.000 2.593 876 S HA 0.272 4.741 4.470 -0.000 0.000 0.269 876 S C -1.810 172.783 174.600 -0.011 0.000 1.334 876 S CA -0.887 57.319 58.200 0.011 0.000 1.015 876 S CB 0.636 63.833 63.200 -0.006 0.000 0.912 876 S HN 0.339 nan 8.310 nan 0.000 0.541 877 P HA -0.013 nan 4.420 nan 0.000 0.215 877 P C 1.758 179.024 177.300 -0.056 0.000 1.157 877 P CA 1.797 64.857 63.100 -0.067 0.000 0.874 877 P CB -0.545 31.105 31.700 -0.084 0.000 0.790 878 G N 0.325 109.084 108.800 -0.069 0.000 2.553 878 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 878 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 878 G C 1.694 176.560 174.900 -0.057 0.000 1.195 878 G CA 0.876 45.910 45.100 -0.109 0.000 0.779 878 G HN 0.124 nan 8.290 nan 0.000 0.577 879 R N 0.046 120.523 120.500 -0.039 0.000 2.112 879 R HA -0.087 4.253 4.340 -0.000 0.000 0.242 879 R C 2.601 178.941 176.300 0.066 0.000 1.137 879 R CA 1.383 57.494 56.100 0.018 0.000 0.944 879 R CB -1.165 29.132 30.300 -0.005 0.000 0.857 879 R HN 0.489 nan 8.270 nan 0.000 0.435 880 I N 0.851 121.426 120.570 0.008 0.000 2.163 880 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 880 I C 2.378 178.507 176.117 0.020 0.000 1.085 880 I CA 1.011 62.307 61.300 -0.005 0.000 1.347 880 I CB -0.158 37.837 38.000 -0.010 0.000 1.044 880 I HN 0.085 nan 8.210 nan 0.000 0.408 881 L N 0.373 121.610 121.223 0.023 0.000 2.043 881 L HA -0.289 4.050 4.340 -0.000 0.000 0.212 881 L C 2.203 179.100 176.870 0.046 0.000 1.075 881 L CA 2.014 56.878 54.840 0.040 0.000 0.752 881 L CB -1.196 40.883 42.059 0.033 0.000 0.891 881 L HN 0.301 nan 8.230 nan 0.000 0.432 882 F N 0.692 120.586 119.950 -0.094 0.000 2.126 882 F HA -0.199 4.327 4.527 -0.000 0.000 0.299 882 F C 2.316 178.073 175.800 -0.072 0.000 1.096 882 F CA 1.543 59.485 58.000 -0.096 0.000 1.255 882 F CB -0.991 37.959 39.000 -0.083 0.000 0.997 882 F HN 0.199 nan 8.300 nan 0.000 0.479 883 A N 1.114 123.837 122.820 -0.162 0.000 1.892 883 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 883 A C 2.527 179.997 177.584 -0.189 0.000 1.188 883 A CA 1.953 53.855 52.037 -0.225 0.000 0.631 883 A CB -0.991 17.936 19.000 -0.122 0.000 0.822 883 A HN 0.439 nan 8.150 nan 0.000 0.447 884 R N -0.240 120.204 120.500 -0.093 0.000 2.083 884 R HA -0.148 4.191 4.340 -0.000 0.000 0.237 884 R C 1.938 178.164 176.300 -0.124 0.000 1.137 884 R CA 1.950 58.022 56.100 -0.047 0.000 0.951 884 R CB -0.554 29.753 30.300 0.011 0.000 0.851 884 R HN 0.465 nan 8.270 nan 0.000 0.434 885 I N 0.947 121.372 120.570 -0.242 0.000 2.151 885 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 885 I C 2.569 178.527 176.117 -0.264 0.000 1.080 885 I CA 1.067 62.142 61.300 -0.375 0.000 1.339 885 I CB -1.488 36.125 38.000 -0.645 0.000 1.039 885 I HN -0.000 nan 8.210 nan 0.000 0.409 886 V N 1.328 121.032 119.914 -0.351 0.000 2.307 886 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 886 V C 2.773 178.786 176.094 -0.136 0.000 1.045 886 V CA 1.629 63.764 62.300 -0.275 0.000 1.024 886 V CB -1.410 30.151 31.823 -0.436 0.000 0.651 886 V HN 0.463 nan 8.190 nan 0.000 0.449 887 A N -0.813 121.940 122.820 -0.112 0.000 2.131 887 A HA -0.210 4.109 4.320 -0.000 0.000 0.220 887 A C 2.201 179.778 177.584 -0.012 0.000 1.158 887 A CA 1.747 53.770 52.037 -0.025 0.000 0.665 887 A CB -0.376 18.641 19.000 0.027 0.000 0.795 887 A HN 0.650 nan 8.150 nan 0.000 0.460 888 E N -0.679 119.504 120.200 -0.027 0.000 2.075 888 E HA 0.070 4.420 4.350 -0.000 0.000 0.190 888 E C 2.445 179.050 176.600 0.008 0.000 0.969 888 E CA 0.566 56.968 56.400 0.004 0.000 0.815 888 E CB -0.209 29.506 29.700 0.025 0.000 0.776 888 E HN 0.554 nan 8.360 nan 0.000 0.457 889 A N 1.568 124.387 122.820 -0.002 0.000 1.896 889 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 889 A C 1.425 179.013 177.584 0.006 0.000 1.206 889 A CA 1.757 53.801 52.037 0.013 0.000 0.647 889 A CB -0.791 18.212 19.000 0.006 0.000 0.828 889 A HN 0.161 nan 8.150 nan 0.000 0.455 890 V N -2.642 117.269 119.914 -0.004 0.000 2.384 890 V HA 0.540 4.659 4.120 -0.000 0.000 0.287 890 V C 0.649 176.743 176.094 -0.001 0.000 1.020 890 V CA -0.038 62.260 62.300 -0.004 0.000 0.850 890 V CB 1.369 33.187 31.823 -0.008 0.000 0.987 890 V HN 0.406 nan 8.190 nan 0.000 0.436 891 E N 2.858 123.058 120.200 0.000 0.000 2.171 891 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 891 E C 0.756 177.364 176.600 0.012 0.000 0.997 891 E CA 1.558 57.961 56.400 0.005 0.000 0.810 891 E CB -0.208 29.493 29.700 0.001 0.000 0.738 891 E HN 0.908 nan 8.360 nan 0.000 0.467 892 D N 0.441 120.846 120.400 0.009 0.000 2.541 892 D HA -0.010 4.630 4.640 -0.000 0.000 0.231 892 D C 0.688 177.012 176.300 0.040 0.000 1.163 892 D CA 0.173 54.184 54.000 0.019 0.000 1.077 892 D CB 0.023 40.827 40.800 0.006 0.000 1.110 892 D HN 0.264 nan 8.370 nan 0.000 0.499 893 E N 1.979 122.215 120.200 0.059 0.000 2.114 893 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 893 E C 1.335 178.040 176.600 0.174 0.000 1.008 893 E CA 1.279 57.740 56.400 0.102 0.000 0.810 893 E CB 0.327 30.088 29.700 0.101 0.000 0.739 893 E HN 0.316 nan 8.360 nan 0.000 0.456 894 K N -0.163 120.336 120.400 0.166 0.000 2.025 894 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 894 K C 2.166 178.838 176.600 0.120 0.000 1.049 894 K CA 1.384 57.811 56.287 0.233 0.000 0.933 894 K CB -0.198 32.398 32.500 0.160 0.000 0.714 894 K HN 0.130 nan 8.250 nan 0.000 0.438 895 V N 1.682 121.621 119.914 0.042 0.000 2.913 895 V HA -0.178 3.941 4.120 -0.000 0.000 0.260 895 V C 2.344 178.418 176.094 -0.034 0.000 1.098 895 V CA 1.550 63.833 62.300 -0.027 0.000 1.121 895 V CB -0.763 31.045 31.823 -0.025 0.000 0.714 895 V HN 0.286 nan 8.190 nan 0.000 0.487 896 A N 1.232 124.068 122.820 0.026 0.000 1.832 896 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 896 A C 2.085 179.689 177.584 0.034 0.000 1.200 896 A CA 1.578 53.628 52.037 0.022 0.000 0.610 896 A CB -0.870 18.156 19.000 0.044 0.000 0.842 896 A HN 0.811 nan 8.150 nan 0.000 0.444 897 W N 1.121 122.395 121.300 -0.043 0.000 2.721 897 W HA -0.013 4.647 4.660 -0.000 0.000 0.245 897 W C 0.786 177.288 176.519 -0.029 0.000 1.276 897 W CA 1.121 58.431 57.345 -0.057 0.000 1.342 897 W CB -0.363 29.047 29.460 -0.083 0.000 1.135 897 W HN 0.524 nan 8.180 nan 0.000 0.654 898 E N 1.207 121.071 120.200 -0.560 0.000 2.274 898 E HA -0.149 4.200 4.350 -0.000 0.000 0.194 898 E C 1.550 177.941 176.600 -0.348 0.000 0.996 898 E CA 1.201 57.223 56.400 -0.630 0.000 0.840 898 E CB -0.085 29.386 29.700 -0.381 0.000 0.772 898 E HN 0.377 nan 8.360 nan 0.000 0.491 899 L N -1.416 119.692 121.223 -0.192 0.000 3.014 899 L HA 0.404 4.743 4.340 -0.000 0.000 0.263 899 L C 0.177 177.035 176.870 -0.020 0.000 1.207 899 L CA -0.300 54.486 54.840 -0.090 0.000 1.017 899 L CB -0.025 42.001 42.059 -0.055 0.000 1.360 899 L HN -0.095 nan 8.230 nan 0.000 0.560 900 I N -1.087 119.480 120.570 -0.004 0.000 2.785 900 I HA 0.636 4.805 4.170 -0.000 0.000 0.302 900 I C -1.157 175.030 176.117 0.118 0.000 1.069 900 I CA -0.712 60.643 61.300 0.092 0.000 1.045 900 I CB 2.315 40.373 38.000 0.096 0.000 1.236 900 I HN 0.253 nan 8.210 nan 0.000 0.429 901 Q N 6.524 126.414 119.800 0.151 0.000 2.413 901 Q HA 0.391 4.730 4.340 -0.000 0.000 0.258 901 Q C -0.678 175.405 176.000 0.139 0.000 1.037 901 Q CA -0.767 55.112 55.803 0.127 0.000 0.764 901 Q CB 1.657 30.444 28.738 0.081 0.000 1.217 901 Q HN 0.911 nan 8.270 nan 0.000 0.490 902 L N -1.197 120.114 121.223 0.146 0.000 2.805 902 L HA 0.402 4.742 4.340 -0.000 0.000 0.237 902 L C -0.095 176.803 176.870 0.048 0.000 1.252 902 L CA -0.092 54.813 54.840 0.109 0.000 1.064 902 L CB -0.077 42.042 42.059 0.100 0.000 1.361 902 L HN 0.323 nan 8.230 nan 0.000 0.474 903 D N 0.418 120.844 120.400 0.042 0.000 2.398 903 D HA 0.201 4.841 4.640 -0.000 0.000 0.210 903 D C 0.257 176.553 176.300 -0.006 0.000 1.094 903 D CA 0.557 54.570 54.000 0.021 0.000 0.839 903 D CB 1.280 42.103 40.800 0.038 0.000 0.963 903 D HN 0.337 nan 8.370 nan 0.000 0.506 904 V N -3.164 116.734 119.914 -0.028 0.000 3.178 904 V HA 0.592 4.712 4.120 -0.000 0.000 0.302 904 V C -3.015 172.997 176.094 -0.136 0.000 1.262 904 V CA -2.393 59.868 62.300 -0.064 0.000 1.030 904 V CB 1.941 33.745 31.823 -0.032 0.000 1.074 904 V HN -0.338 nan 8.190 nan 0.000 0.438 905 P HA 0.246 nan 4.420 nan 0.000 0.269 905 P C -0.999 176.122 177.300 -0.298 0.000 1.215 905 P CA 0.011 62.867 63.100 -0.407 0.000 0.780 905 P CB 0.271 31.504 31.700 -0.779 0.000 0.898 906 Q N 1.938 121.536 119.800 -0.336 0.000 2.307 906 Q HA 0.101 4.441 4.340 -0.000 0.000 0.261 906 Q C 0.238 176.236 176.000 -0.003 0.000 1.051 906 Q CA 0.480 56.148 55.803 -0.226 0.000 0.911 906 Q CB 0.276 28.737 28.738 -0.460 0.000 1.227 906 Q HN 0.505 nan 8.270 nan 0.000 0.418 907 E N 2.015 122.244 120.200 0.048 0.000 2.239 907 E HA 0.109 4.459 4.350 -0.000 0.000 0.261 907 E C 0.540 177.183 176.600 0.071 0.000 1.016 907 E CA -0.539 55.932 56.400 0.117 0.000 0.882 907 E CB 1.034 30.799 29.700 0.109 0.000 1.190 907 E HN 0.478 nan 8.360 nan 0.000 0.415 908 K N 1.750 122.189 120.400 0.066 0.000 2.160 908 K HA -0.218 4.101 4.320 -0.000 0.000 0.206 908 K C 1.181 177.814 176.600 0.055 0.000 1.047 908 K CA 1.940 58.260 56.287 0.054 0.000 0.930 908 K CB -0.017 32.510 32.500 0.045 0.000 0.720 908 K HN 0.426 nan 8.250 nan 0.000 0.450 909 N N 0.391 119.123 118.700 0.054 0.000 2.173 909 N HA -0.115 4.624 4.740 -0.000 0.000 0.184 909 N C 1.924 177.472 175.510 0.063 0.000 1.025 909 N CA 1.568 54.650 53.050 0.052 0.000 0.852 909 N CB -0.324 38.191 38.487 0.048 0.000 0.998 909 N HN 0.341 nan 8.380 nan 0.000 0.427 910 S N 1.048 116.784 115.700 0.060 0.000 2.400 910 S HA -0.089 4.380 4.470 -0.000 0.000 0.232 910 S C 2.066 176.722 174.600 0.093 0.000 1.025 910 S CA 0.892 59.131 58.200 0.066 0.000 0.993 910 S CB -0.492 62.730 63.200 0.038 0.000 0.808 910 S HN 0.092 nan 8.310 nan 0.000 0.478 911 L N 1.558 122.832 121.223 0.086 0.000 2.127 911 L HA 0.198 4.538 4.340 -0.000 0.000 0.203 911 L C 2.637 179.576 176.870 0.114 0.000 1.080 911 L CA 1.449 56.360 54.840 0.117 0.000 0.768 911 L CB -0.610 41.509 42.059 0.100 0.000 0.924 911 L HN 0.279 nan 8.230 nan 0.000 0.444 912 K N 0.222 120.675 120.400 0.088 0.000 2.000 912 K HA -0.275 4.044 4.320 -0.000 0.000 0.218 912 K C 1.730 178.399 176.600 0.116 0.000 1.053 912 K CA 2.310 58.644 56.287 0.077 0.000 0.946 912 K CB -0.215 32.311 32.500 0.044 0.000 0.723 912 K HN 0.201 nan 8.250 nan 0.000 0.446 913 D N 0.826 121.299 120.400 0.122 0.000 2.182 913 D HA -0.189 4.451 4.640 -0.000 0.000 0.201 913 D C 1.830 178.240 176.300 0.183 0.000 0.986 913 D CA 0.794 54.899 54.000 0.175 0.000 0.847 913 D CB -0.135 40.751 40.800 0.142 0.000 0.942 913 D HN 0.288 nan 8.370 nan 0.000 0.467 914 L N 0.338 121.653 121.223 0.153 0.000 2.056 914 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 914 L C 2.114 179.068 176.870 0.141 0.000 1.078 914 L CA 0.863 55.788 54.840 0.142 0.000 0.749 914 L CB -0.080 42.080 42.059 0.168 0.000 0.901 914 L HN -0.073 nan 8.230 nan 0.000 0.433 915 V N -0.491 119.515 119.914 0.153 0.000 2.220 915 V HA -0.374 3.745 4.120 -0.000 0.000 0.246 915 V C 2.255 178.469 176.094 0.200 0.000 1.049 915 V CA 2.278 64.669 62.300 0.151 0.000 1.003 915 V CB -1.143 30.753 31.823 0.122 0.000 0.634 915 V HN 0.511 nan 8.190 nan 0.000 0.444 916 Y N 1.083 121.427 120.300 0.074 0.000 2.102 916 Y HA -0.365 4.185 4.550 -0.000 0.000 0.280 916 Y C 2.705 178.701 175.900 0.160 0.000 1.178 916 Y CA 2.437 60.596 58.100 0.098 0.000 1.146 916 Y CB -0.660 37.835 38.460 0.059 0.000 0.968 916 Y HN 0.253 nan 8.280 nan 0.000 0.504 917 Q N 0.039 119.861 119.800 0.037 0.000 2.061 917 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 917 Q C 2.482 178.466 176.000 -0.027 0.000 0.984 917 Q CA 2.156 57.924 55.803 -0.058 0.000 0.846 917 Q CB -0.831 27.917 28.738 0.017 0.000 0.902 917 Q HN 0.572 nan 8.270 nan 0.000 0.421 918 A N -0.600 122.247 122.820 0.045 0.000 1.940 918 A HA -0.191 4.128 4.320 -0.000 0.000 0.219 918 A C 1.980 179.601 177.584 0.062 0.000 1.176 918 A CA 1.454 53.519 52.037 0.046 0.000 0.631 918 A CB -0.967 18.076 19.000 0.073 0.000 0.814 918 A HN 0.513 nan 8.150 nan 0.000 0.446 919 F N 0.563 120.482 119.950 -0.051 0.000 2.069 919 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 919 F C 1.905 177.644 175.800 -0.102 0.000 1.113 919 F CA 2.007 59.975 58.000 -0.054 0.000 1.214 919 F CB -0.393 38.599 39.000 -0.013 0.000 0.978 919 F HN 0.150 nan 8.300 nan 0.000 0.474 920 L N -0.448 120.717 121.223 -0.096 0.000 2.093 920 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 920 L C 2.610 179.374 176.870 -0.177 0.000 1.085 920 L CA 0.948 55.672 54.840 -0.193 0.000 0.755 920 L CB -0.739 41.202 42.059 -0.197 0.000 0.904 920 L HN -0.045 nan 8.230 nan 0.000 0.435 921 R N 0.547 120.969 120.500 -0.129 0.000 2.052 921 R HA 0.085 4.424 4.340 -0.000 0.000 0.226 921 R C 2.070 178.306 176.300 -0.107 0.000 1.145 921 R CA 1.329 57.367 56.100 -0.104 0.000 0.952 921 R CB -0.713 29.541 30.300 -0.076 0.000 0.847 921 R HN 0.362 nan 8.270 nan 0.000 0.431 922 L N -0.952 120.213 121.223 -0.098 0.000 2.585 922 L HA 0.376 4.716 4.340 -0.000 0.000 0.226 922 L C 0.849 177.646 176.870 -0.121 0.000 1.113 922 L CA 0.214 55.001 54.840 -0.089 0.000 0.876 922 L CB -0.088 41.939 42.059 -0.053 0.000 1.072 922 L HN 0.288 nan 8.230 nan 0.000 0.468 923 G N 0.311 108.993 108.800 -0.196 0.000 2.462 923 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.685 923 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.685 923 G C -0.151 174.587 174.900 -0.270 0.000 1.295 923 G CA -0.021 44.924 45.100 -0.259 0.000 0.941 923 G HN -0.026 nan 8.290 nan 0.000 0.554 924 M N 0.214 119.649 119.600 -0.275 0.000 2.085 924 M HA 0.025 4.505 4.480 -0.000 0.000 0.258 924 M C 2.695 179.045 176.300 0.082 0.000 1.089 924 M CA 2.453 57.707 55.300 -0.077 0.000 1.123 924 M CB -0.484 32.086 32.600 -0.050 0.000 1.284 924 M HN 0.837 nan 8.290 nan 0.000 0.421 925 E N 0.439 120.672 120.200 0.054 0.000 2.130 925 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 925 E C 1.699 178.331 176.600 0.053 0.000 0.998 925 E CA 1.466 57.923 56.400 0.095 0.000 0.806 925 E CB -0.673 29.080 29.700 0.088 0.000 0.738 925 E HN 0.591 nan 8.360 nan 0.000 0.459 926 K N 0.419 120.829 120.400 0.018 0.000 2.063 926 K HA -0.090 4.229 4.320 -0.000 0.000 0.208 926 K C 2.356 178.978 176.600 0.037 0.000 1.048 926 K CA 1.977 58.270 56.287 0.011 0.000 0.928 926 K CB -0.285 32.206 32.500 -0.014 0.000 0.713 926 K HN 0.285 nan 8.250 nan 0.000 0.442 927 T N 1.219 115.813 114.554 0.067 0.000 2.708 927 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 927 T C 2.107 176.866 174.700 0.099 0.000 1.037 927 T CA 1.352 63.516 62.100 0.107 0.000 1.146 927 T CB -0.397 68.599 68.868 0.213 0.000 0.865 927 T HN 0.284 nan 8.240 nan 0.000 0.435 928 A N 2.259 125.142 122.820 0.104 0.000 1.927 928 A HA -0.265 4.054 4.320 -0.000 0.000 0.220 928 A C 2.439 180.059 177.584 0.060 0.000 1.185 928 A CA 2.023 54.106 52.037 0.078 0.000 0.639 928 A CB -0.699 18.348 19.000 0.079 0.000 0.820 928 A HN 0.502 nan 8.150 nan 0.000 0.451 929 R N -1.277 119.252 120.500 0.049 0.000 2.083 929 R HA -0.136 4.204 4.340 -0.000 0.000 0.237 929 R C 2.175 178.511 176.300 0.060 0.000 1.137 929 R CA 1.500 57.624 56.100 0.040 0.000 0.951 929 R CB -0.632 29.681 30.300 0.021 0.000 0.851 929 R HN 0.526 nan 8.270 nan 0.000 0.434 930 L N 1.202 122.460 121.223 0.059 0.000 2.046 930 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 930 L C 1.912 178.837 176.870 0.091 0.000 1.077 930 L CA 1.590 56.468 54.840 0.064 0.000 0.747 930 L CB -0.419 41.670 42.059 0.050 0.000 0.896 930 L HN 0.137 nan 8.230 nan 0.000 0.432 931 L N -0.469 120.808 121.223 0.090 0.000 1.970 931 L HA -0.275 4.065 4.340 -0.000 0.000 0.212 931 L C 2.431 179.373 176.870 0.120 0.000 1.071 931 L CA 1.881 56.778 54.840 0.095 0.000 0.751 931 L CB -1.003 41.098 42.059 0.070 0.000 0.889 931 L HN 0.347 nan 8.230 nan 0.000 0.432 932 D N -0.078 120.398 120.400 0.126 0.000 2.133 932 D HA -0.234 4.406 4.640 -0.000 0.000 0.195 932 D C 2.115 178.530 176.300 0.192 0.000 0.997 932 D CA 1.654 55.759 54.000 0.174 0.000 0.840 932 D CB 0.032 40.917 40.800 0.141 0.000 0.947 932 D HN 0.399 nan 8.370 nan 0.000 0.452 933 A N 1.404 124.333 122.820 0.182 0.000 1.849 933 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 933 A C 2.465 180.270 177.584 0.368 0.000 1.202 933 A CA 1.214 53.418 52.037 0.279 0.000 0.629 933 A CB -1.052 18.056 19.000 0.181 0.000 0.834 933 A HN 0.205 nan 8.150 nan 0.000 0.447 934 L N -0.494 120.868 121.223 0.232 0.000 2.042 934 L HA -0.255 4.084 4.340 -0.000 0.000 0.210 934 L C 2.749 179.686 176.870 0.111 0.000 1.076 934 L CA 2.090 57.059 54.840 0.215 0.000 0.749 934 L CB -0.457 41.703 42.059 0.169 0.000 0.893 934 L HN 0.557 nan 8.230 nan 0.000 0.432 935 K N -0.340 120.074 120.400 0.023 0.000 2.063 935 K HA -0.282 4.038 4.320 -0.000 0.000 0.208 935 K C 2.236 178.638 176.600 -0.330 0.000 1.048 935 K CA 2.001 58.129 56.287 -0.266 0.000 0.928 935 K CB -0.352 32.129 32.500 -0.032 0.000 0.713 935 K HN 0.261 nan 8.250 nan 0.000 0.442 936 Y N 0.043 120.297 120.300 -0.075 0.000 2.109 936 Y HA -0.281 4.269 4.550 -0.001 0.000 0.285 936 Y C 2.016 177.866 175.900 -0.083 0.000 1.131 936 Y CA 1.868 59.942 58.100 -0.043 0.000 1.121 936 Y CB -0.351 38.081 38.460 -0.046 0.000 0.987 936 Y HN 0.059 nan 8.280 nan 0.000 0.495 937 Y N 0.094 120.360 120.300 -0.057 0.000 2.114 937 Y HA -0.152 4.397 4.550 -0.000 0.000 0.284 937 Y C 2.763 178.626 175.900 -0.061 0.000 1.143 937 Y CA 1.548 59.543 58.100 -0.175 0.000 1.135 937 Y CB -1.190 37.389 38.460 0.197 0.000 0.980 937 Y HN 0.232 nan 8.280 nan 0.000 0.499 938 G N -0.483 108.446 108.800 0.216 0.000 2.547 938 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.221 938 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.221 938 G C 1.690 176.695 174.900 0.175 0.000 1.140 938 G CA 1.259 46.459 45.100 0.166 0.000 0.760 938 G HN 0.437 nan 8.290 nan 0.000 0.583 939 F N 0.973 120.914 119.950 -0.015 0.000 2.113 939 F HA -0.115 4.412 4.527 -0.001 0.000 0.297 939 F C 3.217 178.908 175.800 -0.182 0.000 1.103 939 F CA 1.137 59.080 58.000 -0.095 0.000 1.248 939 F CB -0.427 38.502 39.000 -0.119 0.000 0.999 939 F HN 0.103 nan 8.300 nan 0.000 0.475 940 T N 0.581 115.039 114.554 -0.161 0.000 2.595 940 T HA -0.234 4.115 4.350 -0.000 0.000 0.264 940 T C 1.624 176.207 174.700 -0.193 0.000 1.058 940 T CA 1.588 63.479 62.100 -0.348 0.000 1.166 940 T CB -1.100 67.322 68.868 -0.744 0.000 0.863 940 T HN 0.117 nan 8.240 nan 0.000 0.415 941 F N 1.536 121.473 119.950 -0.021 0.000 2.141 941 F HA -0.215 4.312 4.527 -0.001 0.000 0.300 941 F C 3.032 178.831 175.800 -0.001 0.000 1.079 941 F CA 1.050 59.063 58.000 0.021 0.000 1.264 941 F CB -0.527 38.519 39.000 0.078 0.000 1.011 941 F HN 0.187 nan 8.300 nan 0.000 0.487 942 S N -0.166 115.629 115.700 0.160 0.000 2.370 942 S HA -0.239 4.231 4.470 -0.000 0.000 0.226 942 S C 2.269 176.853 174.600 -0.026 0.000 1.033 942 S CA 2.122 60.353 58.200 0.053 0.000 1.011 942 S CB -0.698 62.561 63.200 0.098 0.000 0.852 942 S HN 0.558 nan 8.310 nan 0.000 0.457 943 T N -0.573 113.963 114.554 -0.030 0.000 2.812 943 T HA -0.083 4.267 4.350 -0.000 0.000 0.264 943 T C 2.017 176.692 174.700 -0.041 0.000 1.042 943 T CA 1.910 63.973 62.100 -0.061 0.000 1.140 943 T CB -1.468 67.349 68.868 -0.085 0.000 0.870 943 T HN 0.582 nan 8.240 nan 0.000 0.445 944 T N 1.360 115.910 114.554 -0.006 0.000 2.951 944 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 944 T C 2.361 177.088 174.700 0.046 0.000 1.073 944 T CA 1.257 63.373 62.100 0.026 0.000 1.134 944 T CB -0.908 67.996 68.868 0.061 0.000 0.884 944 T HN 0.629 nan 8.240 nan 0.000 0.479 945 S N 1.942 117.668 115.700 0.045 0.000 2.423 945 S HA 0.051 4.521 4.470 -0.000 0.000 0.238 945 S C 2.012 176.601 174.600 -0.018 0.000 1.028 945 S CA 0.867 59.086 58.200 0.032 0.000 1.000 945 S CB -1.519 61.580 63.200 -0.169 0.000 0.797 945 S HN 1.501 nan 8.310 nan 0.000 0.487 946 G N 1.178 109.941 108.800 -0.063 0.000 2.272 946 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.280 946 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.280 946 G C -0.206 174.634 174.900 -0.099 0.000 1.067 946 G CA 0.101 45.171 45.100 -0.050 0.000 0.902 946 G HN 1.254 nan 8.290 nan 0.000 0.500 947 I N -0.302 120.140 120.570 -0.213 0.000 2.315 947 I HA 0.891 5.060 4.170 -0.000 0.000 0.291 947 I C 0.283 176.302 176.117 -0.164 0.000 1.006 947 I CA -0.255 60.881 61.300 -0.272 0.000 1.265 947 I CB 1.682 39.375 38.000 -0.512 0.000 1.387 947 I HN 0.496 nan 8.210 nan 0.000 0.475 948 T N 2.936 117.424 114.554 -0.109 0.000 2.792 948 T HA 0.717 5.066 4.350 -0.000 0.000 0.303 948 T C -0.610 174.054 174.700 -0.059 0.000 1.310 948 T CA -0.770 61.283 62.100 -0.080 0.000 1.007 948 T CB 1.009 69.842 68.868 -0.058 0.000 1.335 948 T HN 0.414 nan 8.240 nan 0.000 0.504 949 I N 1.181 121.722 120.570 -0.049 0.000 2.396 949 I HA 0.689 4.859 4.170 -0.000 0.000 0.292 949 I C 0.882 176.985 176.117 -0.023 0.000 0.999 949 I CA 0.194 61.474 61.300 -0.034 0.000 1.310 949 I CB 1.351 39.335 38.000 -0.027 0.000 1.404 949 I HN 1.074 nan 8.210 nan 0.000 0.496 950 G N 4.278 113.069 108.800 -0.015 0.000 2.682 950 G HA2 0.433 4.393 3.960 -0.000 0.000 0.300 950 G HA3 0.433 4.393 3.960 -0.000 0.000 0.300 950 G C 0.297 175.196 174.900 -0.002 0.000 1.391 950 G CA -0.461 44.632 45.100 -0.011 0.000 0.990 950 G HN 0.537 nan 8.290 nan 0.000 0.501 951 I N 0.931 121.501 120.570 -0.001 0.000 2.236 951 I HA -0.181 3.988 4.170 -0.000 0.000 0.249 951 I C 1.871 177.995 176.117 0.012 0.000 1.102 951 I CA 1.977 63.281 61.300 0.007 0.000 1.365 951 I CB 0.024 38.024 38.000 0.000 0.000 1.051 951 I HN 0.573 nan 8.210 nan 0.000 0.420 952 D N -0.046 120.355 120.400 0.000 0.000 2.269 952 D HA -0.138 4.501 4.640 -0.000 0.000 0.208 952 D C 1.770 178.064 176.300 -0.010 0.000 0.963 952 D CA 0.825 54.821 54.000 -0.008 0.000 0.864 952 D CB -0.233 40.555 40.800 -0.021 0.000 0.936 952 D HN 0.369 nan 8.370 nan 0.000 0.505 953 D N 0.750 121.148 120.400 -0.002 0.000 2.182 953 D HA -0.079 4.561 4.640 -0.000 0.000 0.201 953 D C 0.762 177.101 176.300 0.065 0.000 0.986 953 D CA 0.674 54.674 54.000 0.001 0.000 0.847 953 D CB -0.177 40.616 40.800 -0.012 0.000 0.942 953 D HN 0.146 nan 8.370 nan 0.000 0.467 954 A N 1.396 124.268 122.820 0.086 0.000 2.544 954 A HA 0.320 4.640 4.320 -0.000 0.000 0.301 954 A C 0.092 177.771 177.584 0.158 0.000 1.368 954 A CA -0.253 51.884 52.037 0.167 0.000 1.045 954 A CB 0.105 19.183 19.000 0.129 0.000 1.129 954 A HN -0.080 nan 8.150 nan 0.000 0.540 955 V N 4.442 124.500 119.914 0.239 0.000 2.461 955 V HA 0.158 4.278 4.120 -0.000 0.000 0.275 955 V C 0.082 176.153 176.094 -0.038 0.000 1.047 955 V CA -0.237 62.093 62.300 0.051 0.000 0.955 955 V CB 0.879 32.692 31.823 -0.018 0.000 0.988 955 V HN 0.680 nan 8.190 nan 0.000 0.471 956 I N 7.942 128.497 120.570 -0.025 0.000 2.371 956 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 956 I C -2.007 174.070 176.117 -0.066 0.000 1.028 956 I CA -1.829 59.448 61.300 -0.039 0.000 1.345 956 I CB 0.850 38.847 38.000 -0.005 0.000 1.407 956 I HN 0.462 nan 8.210 nan 0.000 0.501 957 P HA 0.038 nan 4.420 nan 0.000 0.268 957 P C 0.530 177.802 177.300 -0.046 0.000 1.204 957 P CA -0.106 62.932 63.100 -0.104 0.000 0.768 957 P CB 0.718 32.328 31.700 -0.150 0.000 0.842 958 E N 3.098 123.284 120.200 -0.024 0.000 2.153 958 E HA -0.217 4.132 4.350 -0.000 0.000 0.194 958 E C 1.368 177.985 176.600 0.029 0.000 0.988 958 E CA 1.386 57.790 56.400 0.008 0.000 0.811 958 E CB -0.234 29.475 29.700 0.015 0.000 0.746 958 E HN 0.441 nan 8.360 nan 0.000 0.466 959 E N 0.707 120.922 120.200 0.024 0.000 2.418 959 E HA -0.194 4.155 4.350 -0.000 0.000 0.197 959 E C 1.782 178.454 176.600 0.120 0.000 1.026 959 E CA 0.698 57.162 56.400 0.108 0.000 0.862 959 E CB -0.359 29.415 29.700 0.124 0.000 0.799 959 E HN 0.314 nan 8.360 nan 0.000 0.518 960 K N 2.303 122.712 120.400 0.016 0.000 2.032 960 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 960 K C 2.279 178.939 176.600 0.100 0.000 1.048 960 K CA 1.907 58.212 56.287 0.031 0.000 0.927 960 K CB -0.154 32.348 32.500 0.003 0.000 0.712 960 K HN 0.102 nan 8.250 nan 0.000 0.441 961 K N 0.673 121.122 120.400 0.082 0.000 2.209 961 K HA -0.229 4.091 4.320 -0.000 0.000 0.204 961 K C 2.097 178.754 176.600 0.095 0.000 1.048 961 K CA 1.508 57.842 56.287 0.079 0.000 0.940 961 K CB -0.012 32.521 32.500 0.055 0.000 0.729 961 K HN 0.328 nan 8.250 nan 0.000 0.451 962 Q N -0.394 119.487 119.800 0.134 0.000 1.961 962 Q HA -0.147 4.193 4.340 -0.000 0.000 0.197 962 Q C 1.719 177.794 176.000 0.125 0.000 0.977 962 Q CA 1.335 57.210 55.803 0.121 0.000 0.830 962 Q CB -0.244 28.585 28.738 0.153 0.000 0.896 962 Q HN 0.348 nan 8.270 nan 0.000 0.437 963 Y N 0.730 121.027 120.300 -0.006 0.000 2.241 963 Y HA -0.248 4.302 4.550 -0.001 0.000 0.286 963 Y C 2.039 177.930 175.900 -0.015 0.000 1.166 963 Y CA 1.123 59.214 58.100 -0.016 0.000 1.203 963 Y CB -0.288 38.168 38.460 -0.007 0.000 0.977 963 Y HN 0.223 nan 8.280 nan 0.000 0.529 964 L N -0.614 120.718 121.223 0.181 0.000 2.109 964 L HA -0.164 4.175 4.340 -0.000 0.000 0.207 964 L C 2.497 179.413 176.870 0.076 0.000 1.086 964 L CA 1.342 56.274 54.840 0.154 0.000 0.760 964 L CB -0.170 42.000 42.059 0.186 0.000 0.910 964 L HN 0.134 nan 8.230 nan 0.000 0.437 965 E N 0.444 120.677 120.200 0.055 0.000 2.047 965 E HA -0.300 4.049 4.350 -0.000 0.000 0.191 965 E C 1.907 178.486 176.600 -0.035 0.000 0.987 965 E CA 1.648 58.059 56.400 0.018 0.000 0.799 965 E CB -0.049 29.660 29.700 0.015 0.000 0.752 965 E HN 0.302 nan 8.360 nan 0.000 0.449 966 E N 0.052 120.212 120.200 -0.066 0.000 2.085 966 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 966 E C 1.801 178.310 176.600 -0.151 0.000 0.994 966 E CA 1.780 58.107 56.400 -0.122 0.000 0.801 966 E CB -0.591 28.993 29.700 -0.192 0.000 0.743 966 E HN 0.335 nan 8.360 nan 0.000 0.453 967 A N 0.282 122.995 122.820 -0.179 0.000 1.929 967 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 967 A C 2.081 179.466 177.584 -0.331 0.000 1.176 967 A CA 1.539 53.375 52.037 -0.335 0.000 0.628 967 A CB -0.681 18.012 19.000 -0.511 0.000 0.816 967 A HN 0.356 nan 8.150 nan 0.000 0.444 968 D N 0.573 120.873 120.400 -0.168 0.000 2.087 968 D HA -0.227 4.413 4.640 -0.000 0.000 0.192 968 D C 2.249 178.517 176.300 -0.053 0.000 0.993 968 D CA 1.878 55.849 54.000 -0.049 0.000 0.828 968 D CB -0.260 40.566 40.800 0.044 0.000 0.968 968 D HN 0.603 nan 8.370 nan 0.000 0.448 969 R N 0.523 120.989 120.500 -0.056 0.000 2.083 969 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 969 R C 2.296 178.553 176.300 -0.071 0.000 1.137 969 R CA 1.787 57.857 56.100 -0.050 0.000 0.951 969 R CB -0.569 29.699 30.300 -0.052 0.000 0.851 969 R HN 0.062 nan 8.270 nan 0.000 0.434 970 K N 0.951 121.284 120.400 -0.111 0.000 2.160 970 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 970 K C 1.943 178.470 176.600 -0.121 0.000 1.047 970 K CA 1.343 57.553 56.287 -0.129 0.000 0.930 970 K CB -0.231 32.161 32.500 -0.181 0.000 0.720 970 K HN 0.287 nan 8.250 nan 0.000 0.450 971 L N 0.140 121.288 121.223 -0.124 0.000 2.156 971 L HA -0.003 4.337 4.340 -0.000 0.000 0.208 971 L C 1.882 178.743 176.870 -0.016 0.000 1.095 971 L CA 1.161 55.960 54.840 -0.068 0.000 0.770 971 L CB -0.398 41.655 42.059 -0.009 0.000 0.914 971 L HN 0.270 nan 8.230 nan 0.000 0.439 972 L N -0.681 120.531 121.223 -0.018 0.000 2.141 972 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 972 L C 2.467 179.323 176.870 -0.023 0.000 1.094 972 L CA 1.648 56.484 54.840 -0.007 0.000 0.763 972 L CB -0.619 41.434 42.059 -0.009 0.000 0.908 972 L HN 0.428 nan 8.230 nan 0.000 0.437 973 Q N -0.712 119.063 119.800 -0.042 0.000 2.084 973 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 973 Q C 2.235 178.204 176.000 -0.052 0.000 0.978 973 Q CA 1.904 57.674 55.803 -0.055 0.000 0.844 973 Q CB -0.251 28.451 28.738 -0.060 0.000 0.898 973 Q HN 0.540 nan 8.270 nan 0.000 0.426 974 I N 0.855 121.404 120.570 -0.035 0.000 2.226 974 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 974 I C 2.338 178.469 176.117 0.024 0.000 1.100 974 I CA 0.904 62.197 61.300 -0.012 0.000 1.374 974 I CB -0.303 37.688 38.000 -0.014 0.000 1.057 974 I HN 0.135 nan 8.210 nan 0.000 0.413 975 E N 0.995 121.214 120.200 0.031 0.000 2.031 975 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 975 E C 2.234 178.858 176.600 0.040 0.000 0.994 975 E CA 1.392 57.835 56.400 0.071 0.000 0.800 975 E CB -0.355 29.382 29.700 0.062 0.000 0.752 975 E HN 0.596 nan 8.360 nan 0.000 0.447 976 Q N 0.286 120.073 119.800 -0.023 0.000 2.181 976 Q HA -0.104 4.236 4.340 -0.000 0.000 0.205 976 Q C 2.048 177.943 176.000 -0.176 0.000 0.980 976 Q CA 1.459 57.213 55.803 -0.082 0.000 0.862 976 Q CB -0.205 28.478 28.738 -0.091 0.000 0.905 976 Q HN 0.211 nan 8.270 nan 0.000 0.429 977 A N 0.017 122.732 122.820 -0.176 0.000 2.015 977 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 977 A C 1.786 179.265 177.584 -0.174 0.000 1.163 977 A CA 1.095 52.940 52.037 -0.320 0.000 0.646 977 A CB -0.445 18.452 19.000 -0.172 0.000 0.806 977 A HN 0.522 nan 8.150 nan 0.000 0.448 978 Y N 0.570 120.806 120.300 -0.106 0.000 2.436 978 Y HA 0.122 4.672 4.550 -0.001 0.000 0.288 978 Y C 1.698 177.598 175.900 0.000 0.000 1.112 978 Y CA 1.099 59.193 58.100 -0.010 0.000 1.220 978 Y CB 0.006 38.478 38.460 0.020 0.000 1.073 978 Y HN 0.393 nan 8.280 nan 0.000 0.552 979 E N -0.114 119.986 120.200 -0.166 0.000 2.516 979 E HA -0.086 4.264 4.350 -0.000 0.000 0.199 979 E C 1.393 177.883 176.600 -0.184 0.000 1.069 979 E CA 0.495 56.759 56.400 -0.227 0.000 0.876 979 E CB 0.008 29.654 29.700 -0.091 0.000 0.843 979 E HN 0.570 nan 8.360 nan 0.000 0.530 980 M N -1.660 117.841 119.600 -0.165 0.000 2.653 980 M HA 0.152 4.631 4.480 -0.000 0.000 0.259 980 M C 1.387 177.810 176.300 0.205 0.000 1.244 980 M CA 0.866 56.163 55.300 -0.004 0.000 1.163 980 M CB 1.120 33.567 32.600 -0.255 0.000 1.309 980 M HN 0.250 nan 8.290 nan 0.000 0.509 981 G N 0.024 108.929 108.800 0.174 0.000 2.175 981 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.182 981 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.182 981 G C 0.630 175.757 174.900 0.378 0.000 1.003 981 G CA -0.195 45.017 45.100 0.187 0.000 0.666 981 G HN 0.395 nan 8.290 nan 0.000 0.506 982 F N 0.912 120.889 119.950 0.045 0.000 2.084 982 F HA 0.221 4.748 4.527 -0.000 0.000 0.296 982 F C 1.751 177.610 175.800 0.099 0.000 1.111 982 F CA 0.641 58.677 58.000 0.061 0.000 1.224 982 F CB -0.200 38.828 39.000 0.048 0.000 0.991 982 F HN 0.128 nan 8.300 nan 0.000 0.471 983 L N 0.021 121.464 121.223 0.367 0.000 2.326 983 L HA 0.410 4.750 4.340 -0.000 0.000 0.278 983 L C 0.327 177.353 176.870 0.261 0.000 1.092 983 L CA -0.628 54.365 54.840 0.256 0.000 0.810 983 L CB 0.766 42.940 42.059 0.190 0.000 1.153 983 L HN -0.166 nan 8.230 nan 0.000 0.439 984 T N -0.518 114.126 114.554 0.149 0.000 2.802 984 T HA -0.057 4.293 4.350 -0.000 0.000 0.305 984 T C 1.074 175.780 174.700 0.010 0.000 1.053 984 T CA -0.103 62.066 62.100 0.115 0.000 1.058 984 T CB 0.681 69.590 68.868 0.069 0.000 0.988 984 T HN 0.871 nan 8.240 nan 0.000 0.539 985 D N 0.844 121.233 120.400 -0.019 0.000 2.158 985 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 985 D C 2.118 178.344 176.300 -0.123 0.000 0.995 985 D CA 1.255 55.156 54.000 -0.166 0.000 0.846 985 D CB 0.096 40.857 40.800 -0.066 0.000 0.941 985 D HN 0.452 nan 8.370 nan 0.000 0.456 986 R N 1.066 121.539 120.500 -0.046 0.000 2.055 986 R HA -0.054 4.285 4.340 -0.000 0.000 0.228 986 R C 2.202 178.533 176.300 0.052 0.000 1.143 986 R CA 1.739 57.834 56.100 -0.008 0.000 0.945 986 R CB -0.609 29.687 30.300 -0.007 0.000 0.841 986 R HN 0.087 nan 8.270 nan 0.000 0.429 987 E N 0.415 120.638 120.200 0.040 0.000 2.136 987 E HA -0.325 4.024 4.350 -0.000 0.000 0.202 987 E C 1.980 178.608 176.600 0.046 0.000 1.019 987 E CA 1.694 58.125 56.400 0.052 0.000 0.819 987 E CB -0.286 29.448 29.700 0.056 0.000 0.739 987 E HN 0.209 nan 8.360 nan 0.000 0.458 988 R N 0.643 121.145 120.500 0.002 0.000 2.097 988 R HA -0.240 4.099 4.340 -0.000 0.000 0.236 988 R C 2.183 178.507 176.300 0.040 0.000 1.135 988 R CA 2.062 58.147 56.100 -0.026 0.000 0.934 988 R CB -0.992 29.186 30.300 -0.202 0.000 0.846 988 R HN 0.323 nan 8.270 nan 0.000 0.431 989 Y N 2.019 122.280 120.300 -0.066 0.000 2.006 989 Y HA -0.299 4.251 4.550 -0.000 0.000 0.266 989 Y C 1.991 177.898 175.900 0.011 0.000 1.133 989 Y CA 2.697 60.784 58.100 -0.023 0.000 1.098 989 Y CB -0.785 37.653 38.460 -0.038 0.000 0.969 989 Y HN 0.295 nan 8.280 nan 0.000 0.482 990 D N -0.248 120.251 120.400 0.165 0.000 2.191 990 D HA -0.260 4.380 4.640 -0.000 0.000 0.195 990 D C 2.104 178.390 176.300 -0.024 0.000 1.003 990 D CA 1.827 55.859 54.000 0.053 0.000 0.867 990 D CB -0.294 40.575 40.800 0.114 0.000 0.926 990 D HN 0.491 nan 8.370 nan 0.000 0.450 991 Q N -0.300 119.496 119.800 -0.007 0.000 2.119 991 Q HA -0.074 4.265 4.340 -0.000 0.000 0.201 991 Q C 2.398 178.370 176.000 -0.047 0.000 0.972 991 Q CA 0.732 56.523 55.803 -0.020 0.000 0.847 991 Q CB 0.006 28.741 28.738 -0.005 0.000 0.903 991 Q HN 0.453 nan 8.270 nan 0.000 0.433 992 I N 0.687 121.226 120.570 -0.051 0.000 2.252 992 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 992 I C 2.267 178.411 176.117 0.045 0.000 1.102 992 I CA 0.897 62.188 61.300 -0.017 0.000 1.385 992 I CB -0.450 37.574 38.000 0.040 0.000 1.064 992 I HN 0.153 nan 8.210 nan 0.000 0.414 993 L N 0.142 121.329 121.223 -0.059 0.000 2.012 993 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 993 L C 2.723 179.622 176.870 0.049 0.000 1.073 993 L CA 1.461 56.294 54.840 -0.011 0.000 0.748 993 L CB -0.870 41.090 42.059 -0.165 0.000 0.891 993 L HN 0.235 nan 8.230 nan 0.000 0.431 994 Q N 0.328 120.122 119.800 -0.010 0.000 2.152 994 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 994 Q C 2.058 178.038 176.000 -0.034 0.000 0.985 994 Q CA 1.742 57.539 55.803 -0.010 0.000 0.863 994 Q CB -0.427 28.298 28.738 -0.022 0.000 0.904 994 Q HN 0.363 nan 8.270 nan 0.000 0.422 995 L N -0.878 120.286 121.223 -0.098 0.000 1.990 995 L HA -0.157 4.183 4.340 -0.000 0.000 0.213 995 L C 1.658 178.365 176.870 -0.272 0.000 1.072 995 L CA 2.072 56.758 54.840 -0.256 0.000 0.755 995 L CB -0.883 40.908 42.059 -0.447 0.000 0.889 995 L HN 0.410 nan 8.230 nan 0.000 0.432 996 W N -0.538 120.746 121.300 -0.026 0.000 2.441 996 W HA -0.059 4.601 4.660 -0.001 0.000 0.302 996 W C 2.499 179.010 176.519 -0.013 0.000 1.191 996 W CA 1.331 58.667 57.345 -0.015 0.000 1.327 996 W CB -1.125 28.323 29.460 -0.021 0.000 1.128 996 W HN 0.000 nan 8.180 nan 0.000 0.522 997 T N 0.156 114.829 114.554 0.199 0.000 2.751 997 T HA -0.339 4.011 4.350 -0.000 0.000 0.268 997 T C 1.420 176.164 174.700 0.073 0.000 1.045 997 T CA 2.076 64.240 62.100 0.106 0.000 1.142 997 T CB -0.307 68.597 68.868 0.061 0.000 0.851 997 T HN 0.330 nan 8.240 nan 0.000 0.474 998 E N -0.377 119.855 120.200 0.052 0.000 2.127 998 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 998 E C 2.449 179.081 176.600 0.054 0.000 0.964 998 E CA 0.707 57.127 56.400 0.033 0.000 0.832 998 E CB -0.039 29.662 29.700 0.003 0.000 0.790 998 E HN 0.280 nan 8.360 nan 0.000 0.465 999 T N -0.456 114.132 114.554 0.056 0.000 2.720 999 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 999 T C 1.957 176.738 174.700 0.135 0.000 1.037 999 T CA 2.028 64.184 62.100 0.094 0.000 1.144 999 T CB -0.520 68.360 68.868 0.020 0.000 0.864 999 T HN 0.272 nan 8.240 nan 0.000 0.444 1000 T N 0.523 115.170 114.554 0.155 0.000 2.708 1000 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 1000 T C 1.909 176.627 174.700 0.030 0.000 1.037 1000 T CA 1.661 63.824 62.100 0.105 0.000 1.146 1000 T CB -0.423 68.508 68.868 0.105 0.000 0.865 1000 T HN 0.378 nan 8.240 nan 0.000 0.435 1001 E N 0.523 120.738 120.200 0.026 0.000 2.153 1001 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 1001 E C 2.258 178.841 176.600 -0.029 0.000 0.988 1001 E CA 1.022 57.415 56.400 -0.012 0.000 0.811 1001 E CB -0.092 29.607 29.700 -0.001 0.000 0.746 1001 E HN 0.543 nan 8.360 nan 0.000 0.466 1002 K N 0.081 120.482 120.400 0.003 0.000 2.002 1002 K HA -0.112 4.208 4.320 -0.000 0.000 0.209 1002 K C 2.169 178.650 176.600 -0.197 0.000 1.048 1002 K CA 1.197 57.472 56.287 -0.020 0.000 0.930 1002 K CB -0.313 32.286 32.500 0.164 0.000 0.714 1002 K HN 0.007 nan 8.250 nan 0.000 0.438 1003 V N 1.500 121.301 119.914 -0.188 0.000 2.594 1003 V HA -0.253 3.867 4.120 -0.000 0.000 0.253 1003 V C 1.698 177.699 176.094 -0.155 0.000 1.069 1003 V CA 2.063 64.223 62.300 -0.234 0.000 1.082 1003 V CB -0.400 31.357 31.823 -0.110 0.000 0.680 1003 V HN 0.470 nan 8.190 nan 0.000 0.469 1004 T N -0.411 114.075 114.554 -0.114 0.000 2.569 1004 T HA -0.317 4.033 4.350 -0.000 0.000 0.263 1004 T C 1.766 176.389 174.700 -0.128 0.000 1.074 1004 T CA 2.164 64.192 62.100 -0.120 0.000 1.176 1004 T CB -0.367 68.415 68.868 -0.144 0.000 0.863 1004 T HN 0.596 nan 8.240 nan 0.000 0.410 1005 Q N 0.731 120.454 119.800 -0.127 0.000 2.234 1005 Q HA -0.081 4.259 4.340 -0.000 0.000 0.206 1005 Q C 2.257 178.239 176.000 -0.031 0.000 0.980 1005 Q CA 1.342 57.102 55.803 -0.071 0.000 0.869 1005 Q CB -0.349 28.358 28.738 -0.052 0.000 0.912 1005 Q HN 0.554 nan 8.270 nan 0.000 0.436 1006 A N -0.348 122.400 122.820 -0.119 0.000 1.845 1006 A HA -0.157 4.162 4.320 -0.000 0.000 0.215 1006 A C 2.191 179.699 177.584 -0.128 0.000 1.195 1006 A CA 1.633 53.570 52.037 -0.166 0.000 0.616 1006 A CB -0.972 17.829 19.000 -0.332 0.000 0.832 1006 A HN 0.286 nan 8.150 nan 0.000 0.443 1007 V N -1.012 118.838 119.914 -0.107 0.000 2.252 1007 V HA -0.318 3.802 4.120 -0.000 0.000 0.249 1007 V C 2.361 178.358 176.094 -0.161 0.000 1.056 1007 V CA 2.345 64.540 62.300 -0.175 0.000 1.022 1007 V CB -1.117 30.695 31.823 -0.019 0.000 0.641 1007 V HN 0.585 nan 8.190 nan 0.000 0.445 1008 F N 0.297 120.156 119.950 -0.152 0.000 2.126 1008 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 1008 F C 2.586 178.302 175.800 -0.140 0.000 1.096 1008 F CA 2.090 60.042 58.000 -0.078 0.000 1.255 1008 F CB -0.214 38.801 39.000 0.024 0.000 0.997 1008 F HN 0.048 nan 8.300 nan 0.000 0.479 1009 K N 0.439 120.871 120.400 0.052 0.000 2.103 1009 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 1009 K C 2.027 178.566 176.600 -0.102 0.000 1.048 1009 K CA 1.496 57.774 56.287 -0.014 0.000 0.930 1009 K CB -0.243 32.247 32.500 -0.018 0.000 0.716 1009 K HN 0.113 nan 8.250 nan 0.000 0.444 1010 N N -0.068 118.519 118.700 -0.189 0.000 2.120 1010 N HA -0.132 4.608 4.740 -0.000 0.000 0.188 1010 N C 1.610 176.986 175.510 -0.223 0.000 1.024 1010 N CA 1.206 54.114 53.050 -0.235 0.000 0.852 1010 N CB -0.121 38.185 38.487 -0.302 0.000 1.003 1010 N HN 0.110 nan 8.380 nan 0.000 0.424 1011 F N 1.822 121.629 119.950 -0.237 0.000 2.146 1011 F HA -0.012 4.514 4.527 -0.001 0.000 0.298 1011 F C 2.596 178.183 175.800 -0.354 0.000 1.096 1011 F CA 0.696 58.455 58.000 -0.401 0.000 1.275 1011 F CB -0.928 37.394 39.000 -1.129 0.000 1.008 1011 F HN 0.164 nan 8.300 nan 0.000 0.480 1012 E N 0.304 120.410 120.200 -0.156 0.000 2.085 1012 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 1012 E C 1.983 178.588 176.600 0.009 0.000 0.994 1012 E CA 1.613 58.032 56.400 0.031 0.000 0.801 1012 E CB -0.069 29.672 29.700 0.068 0.000 0.743 1012 E HN 0.489 nan 8.360 nan 0.000 0.453 1013 E N -0.588 119.577 120.200 -0.058 0.000 2.102 1013 E HA -0.048 4.302 4.350 -0.000 0.000 0.190 1013 E C 1.817 178.314 176.600 -0.172 0.000 0.971 1013 E CA 0.461 56.806 56.400 -0.093 0.000 0.821 1013 E CB 0.164 29.809 29.700 -0.092 0.000 0.777 1013 E HN 0.279 nan 8.360 nan 0.000 0.460 1014 N N -0.342 118.185 118.700 -0.289 0.000 2.436 1014 N HA -0.022 4.718 4.740 -0.000 0.000 0.178 1014 N C 0.003 175.071 175.510 -0.736 0.000 1.026 1014 N CA 0.692 53.382 53.050 -0.600 0.000 0.880 1014 N CB 0.331 38.268 38.487 -0.917 0.000 1.061 1014 N HN 0.101 nan 8.380 nan 0.000 0.434 1015 Y N 0.199 120.564 120.300 0.108 0.000 2.638 1015 Y HA 0.414 4.964 4.550 -0.001 0.000 0.367 1015 Y C -1.821 174.219 175.900 0.233 0.000 1.001 1015 Y CA -2.275 55.931 58.100 0.177 0.000 1.133 1015 Y CB 1.206 39.832 38.460 0.277 0.000 1.199 1015 Y HN -0.009 nan 8.280 nan 0.000 0.642 1016 P HA -0.178 nan 4.420 nan 0.000 0.217 1016 P C 0.270 177.806 177.300 0.395 0.000 1.148 1016 P CA 1.678 64.916 63.100 0.230 0.000 0.828 1016 P CB 0.125 31.762 31.700 -0.106 0.000 0.783 1017 F N -0.633 119.432 119.950 0.192 0.000 2.732 1017 F HA 0.170 4.697 4.527 -0.001 0.000 0.312 1017 F C 0.868 176.776 175.800 0.181 0.000 1.240 1017 F CA -1.064 57.010 58.000 0.125 0.000 1.211 1017 F CB -0.120 38.888 39.000 0.013 0.000 1.331 1017 F HN -0.100 nan 8.300 nan 0.000 0.537 1018 N N 2.092 121.015 118.700 0.373 0.000 2.479 1018 N HA 0.152 4.891 4.740 -0.000 0.000 0.285 1018 N C -2.070 173.462 175.510 0.036 0.000 1.075 1018 N CA -1.570 51.567 53.050 0.145 0.000 0.967 1018 N CB 2.008 40.435 38.487 -0.100 0.000 1.137 1018 N HN 0.008 nan 8.380 nan 0.000 0.472 1019 P HA -0.148 nan 4.420 nan 0.000 0.213 1019 P C 1.631 178.857 177.300 -0.122 0.000 1.170 1019 P CA 0.669 63.736 63.100 -0.054 0.000 0.898 1019 P CB 0.231 31.900 31.700 -0.053 0.000 0.787 1020 L N -1.743 119.392 121.223 -0.146 0.000 2.012 1020 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 1020 L C 2.477 179.226 176.870 -0.202 0.000 1.073 1020 L CA 1.773 56.523 54.840 -0.151 0.000 0.748 1020 L CB -1.526 40.455 42.059 -0.131 0.000 0.891 1020 L HN -0.029 nan 8.230 nan 0.000 0.431 1021 Y N -1.112 118.841 120.300 -0.577 0.000 2.070 1021 Y HA -0.278 4.272 4.550 -0.001 0.000 0.279 1021 Y C 2.402 178.086 175.900 -0.361 0.000 1.134 1021 Y CA 2.110 59.825 58.100 -0.641 0.000 1.113 1021 Y CB -0.272 37.606 38.460 -0.971 0.000 0.981 1021 Y HN -0.041 nan 8.280 nan 0.000 0.487 1022 V N 1.310 120.976 119.914 -0.413 0.000 2.317 1022 V HA -0.449 3.671 4.120 -0.000 0.000 0.251 1022 V C 2.439 178.223 176.094 -0.516 0.000 1.065 1022 V CA 2.388 64.377 62.300 -0.518 0.000 1.049 1022 V CB -0.760 30.989 31.823 -0.123 0.000 0.651 1022 V HN 0.586 nan 8.190 nan 0.000 0.450 1023 M N -0.645 118.765 119.600 -0.317 0.000 2.065 1023 M HA -0.227 4.253 4.480 -0.000 0.000 0.259 1023 M C 2.349 178.514 176.300 -0.225 0.000 1.069 1023 M CA 2.403 57.555 55.300 -0.246 0.000 1.110 1023 M CB -0.497 32.011 32.600 -0.153 0.000 1.328 1023 M HN 0.433 nan 8.290 nan 0.000 0.405 1024 A N -0.406 122.307 122.820 -0.177 0.000 1.865 1024 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 1024 A C 2.022 179.535 177.584 -0.117 0.000 1.191 1024 A CA 1.474 53.466 52.037 -0.075 0.000 0.623 1024 A CB -0.795 18.234 19.000 0.048 0.000 0.826 1024 A HN 0.481 nan 8.150 nan 0.000 0.444 1025 Q N 0.746 120.378 119.800 -0.280 0.000 2.030 1025 Q HA -0.061 4.278 4.340 -0.000 0.000 0.204 1025 Q C 1.057 176.911 176.000 -0.244 0.000 0.986 1025 Q CA 1.132 56.787 55.803 -0.247 0.000 0.843 1025 Q CB -0.870 27.610 28.738 -0.430 0.000 0.904 1025 Q HN 0.580 nan 8.270 nan 0.000 0.420 1026 S N 0.062 115.415 115.700 -0.578 0.000 2.563 1026 S HA 0.138 4.608 4.470 -0.000 0.000 0.284 1026 S C 1.102 175.615 174.600 -0.145 0.000 1.331 1026 S CA 0.186 58.131 58.200 -0.425 0.000 1.047 1026 S CB 0.904 63.708 63.200 -0.660 0.000 0.859 1026 S HN 0.508 nan 8.310 nan 0.000 0.514 1027 G N 1.239 110.026 108.800 -0.022 0.000 2.959 1027 G HA2 0.167 4.127 3.960 -0.000 0.000 0.203 1027 G HA3 0.167 4.127 3.960 -0.000 0.000 0.203 1027 G C 0.976 175.872 174.900 -0.007 0.000 1.176 1027 G CA 0.409 45.511 45.100 0.003 0.000 0.860 1027 G HN 0.777 nan 8.290 nan 0.000 0.507 1028 A N 0.237 123.027 122.820 -0.050 0.000 1.994 1028 A HA 0.365 4.685 4.320 -0.000 0.000 0.202 1028 A C 1.558 179.130 177.584 -0.020 0.000 1.286 1028 A CA 0.753 52.767 52.037 -0.038 0.000 0.653 1028 A CB 0.055 18.999 19.000 -0.092 0.000 0.926 1028 A HN 0.299 nan 8.150 nan 0.000 0.494 1029 R N -2.382 118.093 120.500 -0.040 0.000 2.905 1029 R HA 0.527 4.867 4.340 -0.000 0.000 0.260 1029 R C -0.609 175.684 176.300 -0.013 0.000 1.086 1029 R CA 0.243 56.335 56.100 -0.014 0.000 0.978 1029 R CB 1.687 31.981 30.300 -0.010 0.000 1.215 1029 R HN 1.623 nan 8.270 nan 0.000 0.480 1030 G N 1.460 110.270 108.800 0.016 0.000 2.712 1030 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 1030 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 1030 G C -1.213 173.728 174.900 0.068 0.000 1.181 1030 G CA -0.540 44.585 45.100 0.042 0.000 0.762 1030 G HN 0.655 nan 8.290 nan 0.000 0.641 1031 N N 2.825 121.581 118.700 0.092 0.000 2.352 1031 N HA 0.514 5.254 4.740 -0.000 0.000 0.291 1031 N C -1.732 173.857 175.510 0.132 0.000 1.040 1031 N CA -1.875 51.231 53.050 0.094 0.000 0.864 1031 N CB 2.650 41.172 38.487 0.058 0.000 1.440 1031 N HN 0.082 nan 8.380 nan 0.000 0.483 1032 P HA -0.192 nan 4.420 nan 0.000 0.218 1032 P C 1.109 178.422 177.300 0.022 0.000 1.152 1032 P CA 1.422 64.587 63.100 0.109 0.000 0.857 1032 P CB 0.399 32.042 31.700 -0.095 0.000 0.787 1033 Q N -0.498 119.305 119.800 0.004 0.000 2.119 1033 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 1033 Q C 2.187 178.188 176.000 0.002 0.000 0.972 1033 Q CA 1.708 57.502 55.803 -0.015 0.000 0.847 1033 Q CB -0.631 28.098 28.738 -0.015 0.000 0.903 1033 Q HN 0.365 nan 8.270 nan 0.000 0.433 1034 Q N -0.563 119.257 119.800 0.033 0.000 1.990 1034 Q HA -0.115 4.224 4.340 -0.000 0.000 0.200 1034 Q C 1.918 177.953 176.000 0.059 0.000 0.980 1034 Q CA 1.242 57.063 55.803 0.031 0.000 0.832 1034 Q CB -0.181 28.590 28.738 0.055 0.000 0.897 1034 Q HN 0.354 nan 8.270 nan 0.000 0.427 1035 I N 1.247 121.901 120.570 0.140 0.000 2.181 1035 I HA -0.342 3.828 4.170 -0.000 0.000 0.247 1035 I C 2.409 178.634 176.117 0.179 0.000 1.081 1035 I CA 1.653 63.084 61.300 0.218 0.000 1.340 1035 I CB -1.149 37.108 38.000 0.428 0.000 1.036 1035 I HN 0.326 nan 8.210 nan 0.000 0.417 1036 R N 1.064 121.635 120.500 0.119 0.000 2.120 1036 R HA -0.172 4.168 4.340 -0.000 0.000 0.234 1036 R C 1.993 178.277 176.300 -0.026 0.000 1.123 1036 R CA 1.207 57.334 56.100 0.045 0.000 0.975 1036 R CB -0.032 30.261 30.300 -0.012 0.000 0.866 1036 R HN 0.521 nan 8.270 nan 0.000 0.446 1037 Q N -0.146 119.604 119.800 -0.083 0.000 2.472 1037 Q HA -0.030 4.310 4.340 -0.000 0.000 0.208 1037 Q C 1.664 177.520 176.000 -0.240 0.000 0.958 1037 Q CA 0.612 56.260 55.803 -0.258 0.000 0.932 1037 Q CB 0.316 28.821 28.738 -0.388 0.000 1.007 1037 Q HN 0.363 nan 8.270 nan 0.000 0.508 1038 L N -1.694 119.513 121.223 -0.027 0.000 2.356 1038 L HA -0.013 4.327 4.340 -0.000 0.000 0.193 1038 L C 2.147 179.077 176.870 0.100 0.000 1.087 1038 L CA 0.503 55.396 54.840 0.089 0.000 0.817 1038 L CB -0.217 41.926 42.059 0.140 0.000 1.035 1038 L HN 0.188 nan 8.230 nan 0.000 0.482 1039 C N -0.287 119.079 119.300 0.111 0.000 2.564 1039 C HA 0.244 4.704 4.460 -0.000 0.000 0.281 1039 C C 2.415 177.422 174.990 0.029 0.000 1.314 1039 C CA 0.079 59.150 59.018 0.088 0.000 1.706 1039 C CB -1.355 26.465 27.740 0.133 0.000 2.109 1039 C HN 0.588 nan 8.230 nan 0.000 0.502 1040 G N 0.541 109.354 108.800 0.022 0.000 2.751 1040 G HA2 0.419 4.378 3.960 -0.000 0.000 0.187 1040 G HA3 0.419 4.378 3.960 -0.000 0.000 0.187 1040 G C -0.071 174.821 174.900 -0.012 0.000 1.733 1040 G CA 0.941 46.035 45.100 -0.010 0.000 0.898 1040 G HN 0.754 nan 8.290 nan 0.000 0.408 1041 L N -1.746 119.459 121.223 -0.030 0.000 2.700 1041 L HA 0.527 4.867 4.340 -0.000 0.000 0.255 1041 L C -1.069 175.752 176.870 -0.080 0.000 0.933 1041 L CA -1.209 53.600 54.840 -0.051 0.000 0.920 1041 L CB 1.871 43.920 42.059 -0.016 0.000 1.472 1041 L HN 0.581 nan 8.230 nan 0.000 0.426 1042 R N 1.950 122.366 120.500 -0.139 0.000 2.216 1042 R HA 0.547 4.887 4.340 -0.000 0.000 0.332 1042 R C 0.184 176.422 176.300 -0.104 0.000 1.056 1042 R CA -0.010 56.006 56.100 -0.140 0.000 0.901 1042 R CB 1.511 31.676 30.300 -0.225 0.000 1.039 1042 R HN 0.894 nan 8.270 nan 0.000 0.456 1043 G N 3.985 112.736 108.800 -0.082 0.000 2.645 1043 G HA2 0.107 4.067 3.960 -0.000 0.000 0.207 1043 G HA3 0.107 4.067 3.960 -0.000 0.000 0.207 1043 G C 0.346 175.164 174.900 -0.135 0.000 1.145 1043 G CA -0.351 44.680 45.100 -0.116 0.000 0.831 1043 G HN 0.405 nan 8.290 nan 0.000 0.563 1044 L N 2.449 123.629 121.223 -0.073 0.000 2.276 1044 L HA 0.523 4.863 4.340 -0.000 0.000 0.286 1044 L C -0.740 176.131 176.870 0.002 0.000 1.024 1044 L CA -0.479 54.334 54.840 -0.046 0.000 0.826 1044 L CB 1.696 43.746 42.059 -0.014 0.000 1.211 1044 L HN 0.085 nan 8.230 nan 0.000 0.422 1045 M N 3.986 123.605 119.600 0.031 0.000 2.311 1045 M HA 0.321 4.801 4.480 -0.000 0.000 0.325 1045 M C -0.196 176.236 176.300 0.220 0.000 1.061 1045 M CA -0.588 54.763 55.300 0.085 0.000 0.957 1045 M CB 1.952 34.581 32.600 0.049 0.000 1.646 1045 M HN 0.547 nan 8.290 nan 0.000 0.434 1046 Q N 2.119 122.030 119.800 0.185 0.000 2.368 1046 Q HA 0.445 4.785 4.340 -0.000 0.000 0.237 1046 Q C -0.657 175.472 176.000 0.216 0.000 0.987 1046 Q CA -0.384 55.528 55.803 0.181 0.000 0.896 1046 Q CB 1.376 30.163 28.738 0.082 0.000 1.241 1046 Q HN 0.505 nan 8.270 nan 0.000 0.485 1047 K N 0.917 121.321 120.400 0.007 0.000 2.273 1047 K HA 0.109 4.429 4.320 -0.000 0.000 0.240 1047 K C -1.683 174.806 176.600 -0.186 0.000 1.056 1047 K CA -1.424 54.741 56.287 -0.204 0.000 0.910 1047 K CB -0.138 32.073 32.500 -0.481 0.000 1.196 1047 K HN 0.403 nan 8.250 nan 0.000 0.509 1048 P HA -0.263 nan 4.420 nan 0.000 0.213 1048 P C 1.205 178.450 177.300 -0.091 0.000 1.170 1048 P CA 1.779 64.773 63.100 -0.177 0.000 0.902 1048 P CB 0.030 31.624 31.700 -0.177 0.000 0.789 1049 S N -1.769 113.869 115.700 -0.104 0.000 2.363 1049 S HA -0.030 4.440 4.470 -0.000 0.000 0.218 1049 S C 1.961 176.530 174.600 -0.051 0.000 1.035 1049 S CA 1.649 59.807 58.200 -0.071 0.000 1.043 1049 S CB -1.413 61.739 63.200 -0.082 0.000 0.986 1049 S HN 0.345 nan 8.310 nan 0.000 0.423 1050 G N 1.185 109.951 108.800 -0.057 0.000 4.103 1050 G HA2 0.051 4.010 3.960 -0.000 0.000 0.163 1050 G HA3 0.051 4.010 3.960 -0.000 0.000 0.163 1050 G C -0.348 174.541 174.900 -0.018 0.000 0.840 1050 G CA -0.097 44.987 45.100 -0.027 0.000 0.905 1050 G HN 0.654 nan 8.290 nan 0.000 0.377 1051 E N 2.915 123.088 120.200 -0.044 0.000 2.606 1051 E HA 0.306 4.655 4.350 -0.000 0.000 0.248 1051 E C 0.603 177.204 176.600 0.003 0.000 1.005 1051 E CA 0.428 56.815 56.400 -0.021 0.000 0.946 1051 E CB -0.045 29.595 29.700 -0.101 0.000 0.928 1051 E HN 0.317 nan 8.360 nan 0.000 0.494 1052 T N 1.723 116.332 114.554 0.092 0.000 2.903 1052 T HA 0.050 4.399 4.350 -0.000 0.000 0.314 1052 T C 0.037 174.806 174.700 0.114 0.000 1.078 1052 T CA -0.611 61.551 62.100 0.103 0.000 1.114 1052 T CB 0.280 69.209 68.868 0.102 0.000 0.987 1052 T HN 0.385 nan 8.240 nan 0.000 0.548 1053 F N 1.126 121.104 119.950 0.047 0.000 2.545 1053 F HA 0.198 4.725 4.527 -0.000 0.000 0.348 1053 F C 1.878 177.685 175.800 0.011 0.000 1.163 1053 F CA 0.103 58.127 58.000 0.039 0.000 1.331 1053 F CB 0.690 39.695 39.000 0.008 0.000 1.138 1053 F HN 0.937 nan 8.300 nan 0.000 0.602 1054 E N 0.966 121.342 120.200 0.293 0.000 2.076 1054 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 1054 E C -0.124 176.514 176.600 0.064 0.000 0.979 1054 E CA 0.462 56.955 56.400 0.155 0.000 0.807 1054 E CB 0.310 30.125 29.700 0.192 0.000 0.761 1054 E HN 0.300 nan 8.360 nan 0.000 0.454 1055 V N 2.721 122.694 119.914 0.098 0.000 2.607 1055 V HA 0.251 4.371 4.120 -0.000 0.000 0.289 1055 V C -2.171 173.743 176.094 -0.299 0.000 1.053 1055 V CA -1.445 60.782 62.300 -0.121 0.000 0.996 1055 V CB 1.269 33.054 31.823 -0.063 0.000 0.995 1055 V HN 0.210 nan 8.190 nan 0.000 0.476 1056 P HA 0.363 nan 4.420 nan 0.000 0.283 1056 P C -0.989 176.068 177.300 -0.406 0.000 1.278 1056 P CA -0.554 62.177 63.100 -0.616 0.000 0.834 1056 P CB 0.898 31.899 31.700 -1.165 0.000 1.150 1057 V N 2.718 122.466 119.914 -0.276 0.000 2.222 1057 V HA 0.144 4.263 4.120 -0.000 0.000 0.253 1057 V C 1.572 177.584 176.094 -0.138 0.000 1.210 1057 V CA 0.024 62.223 62.300 -0.167 0.000 1.079 1057 V CB -0.711 31.051 31.823 -0.102 0.000 1.265 1057 V HN 0.499 nan 8.190 nan 0.000 0.494 1058 R N 1.019 121.433 120.500 -0.142 0.000 2.226 1058 R HA -0.099 4.241 4.340 -0.000 0.000 0.246 1058 R C 1.091 177.383 176.300 -0.013 0.000 1.161 1058 R CA 0.817 56.876 56.100 -0.067 0.000 0.997 1058 R CB -0.110 30.170 30.300 -0.034 0.000 0.870 1058 R HN 0.558 nan 8.270 nan 0.000 0.465 1059 S N -0.018 115.677 115.700 -0.008 0.000 2.652 1059 S HA 0.260 4.730 4.470 -0.000 0.000 0.270 1059 S C 0.205 174.819 174.600 0.024 0.000 1.243 1059 S CA -0.827 57.389 58.200 0.026 0.000 0.999 1059 S CB 1.603 64.835 63.200 0.053 0.000 0.973 1059 S HN 0.269 nan 8.310 nan 0.000 0.544 1060 S N 0.521 116.255 115.700 0.056 0.000 2.747 1060 S HA 0.571 5.040 4.470 -0.000 0.000 0.300 1060 S C 0.146 174.875 174.600 0.214 0.000 1.121 1060 S CA -0.656 57.578 58.200 0.057 0.000 0.995 1060 S CB 0.267 63.500 63.200 0.055 0.000 1.113 1060 S HN 0.479 nan 8.310 nan 0.000 0.547 1061 F N 0.795 120.750 119.950 0.009 0.000 2.416 1061 F HA 0.238 4.765 4.527 -0.000 0.000 0.296 1061 F C 2.530 178.324 175.800 -0.009 0.000 1.099 1061 F CA -0.075 57.922 58.000 -0.005 0.000 1.427 1061 F CB -0.733 38.271 39.000 0.006 0.000 1.079 1061 F HN 0.559 nan 8.300 nan 0.000 0.536 1062 R N 1.221 121.842 120.500 0.202 0.000 2.094 1062 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 1062 R C 0.705 177.045 176.300 0.067 0.000 1.137 1062 R CA 1.216 57.380 56.100 0.106 0.000 0.943 1062 R CB -0.649 29.702 30.300 0.085 0.000 0.850 1062 R HN 0.159 nan 8.270 nan 0.000 0.433 1063 E N -0.609 119.633 120.200 0.071 0.000 2.318 1063 E HA 0.275 4.625 4.350 -0.000 0.000 0.265 1063 E C -0.769 175.853 176.600 0.037 0.000 1.069 1063 E CA -0.246 56.179 56.400 0.041 0.000 0.893 1063 E CB 0.965 30.688 29.700 0.038 0.000 1.076 1063 E HN 0.301 nan 8.360 nan 0.000 0.414 1064 G N 3.112 111.913 108.800 0.002 0.000 2.255 1064 G HA2 0.149 4.108 3.960 -0.000 0.000 0.267 1064 G HA3 0.149 4.108 3.960 -0.000 0.000 0.267 1064 G C -0.327 174.568 174.900 -0.007 0.000 1.177 1064 G CA -0.254 44.829 45.100 -0.029 0.000 1.027 1064 G HN 0.473 nan 8.290 nan 0.000 0.437 1065 L N 3.704 124.923 121.223 -0.007 0.000 2.534 1065 L HA 0.243 4.583 4.340 -0.000 0.000 0.271 1065 L C 1.135 178.002 176.870 -0.006 0.000 1.178 1065 L CA 0.213 55.084 54.840 0.052 0.000 0.907 1065 L CB 0.388 42.517 42.059 0.117 0.000 1.164 1065 L HN 0.436 nan 8.230 nan 0.000 0.482 1066 T N 3.213 117.783 114.554 0.027 0.000 2.795 1066 T HA 0.147 4.497 4.350 -0.000 0.000 0.314 1066 T C 1.576 176.310 174.700 0.056 0.000 1.069 1066 T CA -0.041 62.070 62.100 0.019 0.000 1.071 1066 T CB 0.677 69.553 68.868 0.014 0.000 0.988 1066 T HN 0.496 nan 8.240 nan 0.000 0.543 1067 V N 3.703 123.644 119.914 0.045 0.000 2.215 1067 V HA -0.188 3.931 4.120 -0.000 0.000 0.249 1067 V C 2.541 178.714 176.094 0.132 0.000 1.054 1067 V CA 2.130 64.479 62.300 0.083 0.000 1.012 1067 V CB -1.103 30.740 31.823 0.033 0.000 0.639 1067 V HN 0.765 nan 8.190 nan 0.000 0.448 1068 L N -0.477 120.780 121.223 0.057 0.000 2.005 1068 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 1068 L C 2.644 179.561 176.870 0.078 0.000 1.072 1068 L CA 1.904 56.770 54.840 0.043 0.000 0.744 1068 L CB -0.532 41.503 42.059 -0.039 0.000 0.895 1068 L HN 0.337 nan 8.230 nan 0.000 0.433 1069 E N -1.422 118.802 120.200 0.040 0.000 2.136 1069 E HA -0.345 4.005 4.350 -0.000 0.000 0.202 1069 E C 1.967 178.638 176.600 0.118 0.000 1.019 1069 E CA 2.098 58.512 56.400 0.023 0.000 0.819 1069 E CB -0.312 29.405 29.700 0.027 0.000 0.739 1069 E HN 0.582 nan 8.360 nan 0.000 0.458 1070 Y N -0.285 120.033 120.300 0.031 0.000 2.070 1070 Y HA -0.324 4.226 4.550 -0.000 0.000 0.279 1070 Y C 2.220 178.134 175.900 0.023 0.000 1.134 1070 Y CA 1.447 59.572 58.100 0.041 0.000 1.113 1070 Y CB -0.301 38.183 38.460 0.041 0.000 0.981 1070 Y HN 0.053 nan 8.280 nan 0.000 0.487 1071 F N 0.816 120.702 119.950 -0.107 0.000 2.063 1071 F HA -0.396 4.131 4.527 -0.001 0.000 0.298 1071 F C 2.089 177.699 175.800 -0.318 0.000 1.105 1071 F CA 1.841 59.699 58.000 -0.236 0.000 1.215 1071 F CB -0.592 38.337 39.000 -0.118 0.000 0.972 1071 F HN 0.069 nan 8.300 nan 0.000 0.483 1072 I N -0.329 120.282 120.570 0.069 0.000 2.127 1072 I HA -0.318 3.851 4.170 -0.000 0.000 0.241 1072 I C 2.508 178.588 176.117 -0.063 0.000 1.075 1072 I CA 1.766 63.054 61.300 -0.019 0.000 1.334 1072 I CB -1.774 36.033 38.000 -0.321 0.000 1.040 1072 I HN 0.133 nan 8.210 nan 0.000 0.405 1073 S N 0.429 116.070 115.700 -0.098 0.000 2.400 1073 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 1073 S C 2.207 176.712 174.600 -0.157 0.000 1.025 1073 S CA 1.508 59.667 58.200 -0.068 0.000 0.993 1073 S CB -0.317 62.883 63.200 -0.000 0.000 0.808 1073 S HN 0.489 nan 8.310 nan 0.000 0.478 1074 S N 1.370 116.846 115.700 -0.372 0.000 2.368 1074 S HA -0.268 4.201 4.470 -0.000 0.000 0.226 1074 S C 1.790 176.194 174.600 -0.326 0.000 1.044 1074 S CA 1.548 59.462 58.200 -0.477 0.000 1.062 1074 S CB -0.594 62.144 63.200 -0.769 0.000 0.931 1074 S HN 0.629 nan 8.310 nan 0.000 0.440 1075 H N 0.339 119.300 119.070 -0.183 0.000 2.292 1075 H HA -0.132 4.424 4.556 -0.000 0.000 0.292 1075 H C 2.443 177.737 175.328 -0.057 0.000 1.100 1075 H CA 1.631 57.622 56.048 -0.095 0.000 1.238 1075 H CB -1.300 28.463 29.762 0.003 0.000 1.355 1075 H HN 0.576 nan 8.280 nan 0.000 0.484 1076 G N 0.443 109.297 108.800 0.090 0.000 2.421 1076 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 1076 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 1076 G C 2.049 176.953 174.900 0.005 0.000 1.171 1076 G CA 1.545 46.673 45.100 0.047 0.000 0.775 1076 G HN 0.556 nan 8.290 nan 0.000 0.543 1077 A N 0.480 123.285 122.820 -0.026 0.000 1.986 1077 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 1077 A C 2.369 179.931 177.584 -0.037 0.000 1.171 1077 A CA 2.213 54.230 52.037 -0.033 0.000 0.640 1077 A CB -0.371 18.595 19.000 -0.056 0.000 0.811 1077 A HN 0.318 nan 8.150 nan 0.000 0.451 1078 R N -0.102 120.367 120.500 -0.051 0.000 2.073 1078 R HA 0.017 4.357 4.340 -0.000 0.000 0.229 1078 R C 2.101 178.391 176.300 -0.017 0.000 1.120 1078 R CA 1.539 57.614 56.100 -0.043 0.000 0.967 1078 R CB -0.260 30.005 30.300 -0.057 0.000 0.862 1078 R HN 0.419 nan 8.270 nan 0.000 0.436 1079 K N -0.818 119.581 120.400 -0.002 0.000 2.147 1079 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 1079 K C 1.861 178.460 176.600 -0.001 0.000 1.049 1079 K CA 1.423 57.712 56.287 0.003 0.000 0.936 1079 K CB -0.285 32.223 32.500 0.013 0.000 0.722 1079 K HN 0.398 nan 8.250 nan 0.000 0.446 1080 G N 0.516 109.315 108.800 -0.002 0.000 2.408 1080 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.217 1080 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.217 1080 G C 1.589 176.485 174.900 -0.007 0.000 1.150 1080 G CA 0.949 46.047 45.100 -0.003 0.000 0.776 1080 G HN 0.411 nan 8.290 nan 0.000 0.542 1081 G N 1.150 109.944 108.800 -0.010 0.000 2.418 1081 G HA2 0.040 4.000 3.960 -0.000 0.000 0.217 1081 G HA3 0.040 4.000 3.960 -0.000 0.000 0.217 1081 G C 2.052 176.945 174.900 -0.011 0.000 1.158 1081 G CA 1.520 46.613 45.100 -0.012 0.000 0.771 1081 G HN 0.616 nan 8.290 nan 0.000 0.545 1082 A N 0.894 123.708 122.820 -0.011 0.000 1.902 1082 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 1082 A C 2.066 179.645 177.584 -0.008 0.000 1.181 1082 A CA 2.211 54.243 52.037 -0.009 0.000 0.623 1082 A CB -0.523 18.472 19.000 -0.007 0.000 0.818 1082 A HN 0.335 nan 8.150 nan 0.000 0.443 1083 D N -0.669 119.727 120.400 -0.007 0.000 2.097 1083 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 1083 D C 2.346 178.640 176.300 -0.009 0.000 0.989 1083 D CA 2.229 56.224 54.000 -0.007 0.000 0.827 1083 D CB -0.172 40.623 40.800 -0.007 0.000 0.966 1083 D HN 0.584 nan 8.370 nan 0.000 0.456 1084 T N -1.780 112.768 114.554 -0.010 0.000 2.929 1084 T HA 0.008 4.358 4.350 -0.000 0.000 0.271 1084 T C 1.747 176.440 174.700 -0.011 0.000 1.085 1084 T CA 0.966 63.060 62.100 -0.011 0.000 1.125 1084 T CB -0.225 68.638 68.868 -0.010 0.000 0.874 1084 T HN 0.095 nan 8.240 nan 0.000 0.494 1085 A N 2.334 125.148 122.820 -0.011 0.000 1.833 1085 A HA 0.268 4.588 4.320 -0.000 0.000 0.215 1085 A C 2.106 179.684 177.584 -0.010 0.000 1.275 1085 A CA 0.919 52.950 52.037 -0.011 0.000 0.602 1085 A CB -1.152 17.842 19.000 -0.011 0.000 0.929 1085 A HN 0.364 nan 8.150 nan 0.000 0.462 1086 L N 0.662 121.880 121.223 -0.008 0.000 2.357 1086 L HA -0.195 4.145 4.340 -0.000 0.000 0.220 1086 L C 2.617 179.486 176.870 -0.002 0.000 1.123 1086 L CA 2.084 56.921 54.840 -0.006 0.000 0.782 1086 L CB -0.895 41.163 42.059 -0.002 0.000 0.910 1086 L HN 0.643 nan 8.230 nan 0.000 0.442 1087 R N -1.638 118.859 120.500 -0.005 0.000 2.140 1087 R HA -0.007 4.333 4.340 -0.000 0.000 0.213 1087 R C 1.816 178.112 176.300 -0.007 0.000 1.059 1087 R CA 1.392 57.489 56.100 -0.005 0.000 1.000 1087 R CB -0.505 29.787 30.300 -0.012 0.000 0.910 1087 R HN 0.215 nan 8.270 nan 0.000 0.455 1088 T N 1.235 115.783 114.554 -0.011 0.000 2.770 1088 T HA 0.117 4.467 4.350 -0.000 0.000 0.258 1088 T C 1.718 176.410 174.700 -0.013 0.000 1.039 1088 T CA 1.445 63.537 62.100 -0.013 0.000 1.143 1088 T CB -0.240 68.619 68.868 -0.015 0.000 0.866 1088 T HN 0.431 nan 8.240 nan 0.000 0.428 1089 A N 1.099 123.910 122.820 -0.015 0.000 2.225 1089 A HA -0.078 4.241 4.320 -0.000 0.000 0.215 1089 A C 1.739 179.306 177.584 -0.027 0.000 1.164 1089 A CA 1.301 53.325 52.037 -0.022 0.000 0.710 1089 A CB -0.668 18.318 19.000 -0.023 0.000 0.780 1089 A HN 0.399 nan 8.150 nan 0.000 0.473 1090 D N -0.177 120.217 120.400 -0.010 0.000 2.351 1090 D HA -0.032 4.608 4.640 -0.000 0.000 0.216 1090 D C 0.604 176.902 176.300 -0.005 0.000 0.968 1090 D CA 1.257 55.259 54.000 0.003 0.000 0.899 1090 D CB -0.181 40.653 40.800 0.056 0.000 0.907 1090 D HN 0.283 nan 8.370 nan 0.000 0.514 1091 S N -1.334 114.360 115.700 -0.011 0.000 3.614 1091 S HA -0.169 4.301 4.470 -0.000 0.000 0.360 1091 S C 1.104 175.714 174.600 0.016 0.000 1.023 1091 S CA 0.452 58.645 58.200 -0.012 0.000 1.114 1091 S CB -1.907 61.270 63.200 -0.039 0.000 0.907 1091 S HN 0.683 nan 8.310 nan 0.000 0.470 1092 G N -0.109 108.709 108.800 0.031 0.000 2.341 1092 G HA2 -0.419 3.540 3.960 -0.000 0.000 0.292 1092 G HA3 -0.419 3.540 3.960 -0.000 0.000 0.292 1092 G C 0.423 175.379 174.900 0.094 0.000 1.021 1092 G CA 0.822 45.945 45.100 0.038 0.000 0.905 1092 G HN 0.858 nan 8.290 nan 0.000 0.508 1093 Y N -0.876 119.398 120.300 -0.042 0.000 2.132 1093 Y HA -0.320 4.230 4.550 -0.001 0.000 0.280 1093 Y C 2.664 178.525 175.900 -0.065 0.000 1.193 1093 Y CA 1.778 59.852 58.100 -0.044 0.000 1.157 1093 Y CB -0.018 38.422 38.460 -0.033 0.000 0.966 1093 Y HN 0.439 nan 8.280 nan 0.000 0.511 1094 L N 0.316 121.549 121.223 0.017 0.000 2.017 1094 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 1094 L C 2.311 179.114 176.870 -0.112 0.000 1.073 1094 L CA 2.525 57.273 54.840 -0.154 0.000 0.745 1094 L CB -1.003 40.965 42.059 -0.151 0.000 0.894 1094 L HN 0.133 nan 8.230 nan 0.000 0.432 1095 T N -0.395 114.133 114.554 -0.043 0.000 2.929 1095 T HA -0.143 4.207 4.350 -0.000 0.000 0.271 1095 T C 2.013 176.696 174.700 -0.028 0.000 1.085 1095 T CA 0.789 62.869 62.100 -0.034 0.000 1.125 1095 T CB -0.234 68.627 68.868 -0.012 0.000 0.874 1095 T HN 0.221 nan 8.240 nan 0.000 0.494 1096 R N 1.487 121.986 120.500 -0.002 0.000 2.051 1096 R HA 0.093 4.433 4.340 -0.000 0.000 0.225 1096 R C 2.397 178.663 176.300 -0.056 0.000 1.155 1096 R CA 1.432 57.533 56.100 0.001 0.000 0.945 1096 R CB -0.391 29.971 30.300 0.103 0.000 0.840 1096 R HN 0.259 nan 8.270 nan 0.000 0.432 1097 K N 0.241 120.601 120.400 -0.067 0.000 2.057 1097 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 1097 K C 2.144 178.677 176.600 -0.111 0.000 1.049 1097 K CA 1.101 57.317 56.287 -0.119 0.000 0.931 1097 K CB -0.129 32.253 32.500 -0.198 0.000 0.714 1097 K HN -0.031 nan 8.250 nan 0.000 0.440 1098 L N 0.412 121.562 121.223 -0.122 0.000 1.990 1098 L HA -0.226 4.114 4.340 -0.000 0.000 0.213 1098 L C 2.235 179.085 176.870 -0.033 0.000 1.072 1098 L CA 1.459 56.259 54.840 -0.067 0.000 0.755 1098 L CB -0.969 41.036 42.059 -0.091 0.000 0.889 1098 L HN -0.003 nan 8.230 nan 0.000 0.432 1099 V N -0.353 119.529 119.914 -0.054 0.000 2.324 1099 V HA -0.363 3.757 4.120 -0.000 0.000 0.250 1099 V C 2.348 178.352 176.094 -0.149 0.000 1.060 1099 V CA 1.937 64.208 62.300 -0.048 0.000 1.042 1099 V CB -0.613 31.182 31.823 -0.046 0.000 0.650 1099 V HN 0.489 nan 8.190 nan 0.000 0.450 1100 D N 0.088 120.352 120.400 -0.226 0.000 2.170 1100 D HA -0.172 4.467 4.640 -0.000 0.000 0.193 1100 D C 1.917 177.950 176.300 -0.444 0.000 1.004 1100 D CA 2.269 56.033 54.000 -0.394 0.000 0.860 1100 D CB 0.011 40.657 40.800 -0.257 0.000 0.931 1100 D HN 0.538 nan 8.370 nan 0.000 0.448 1101 V N -1.949 117.870 119.914 -0.157 0.000 3.431 1101 V HA 0.090 4.209 4.120 -0.000 0.000 0.253 1101 V C 1.958 178.106 176.094 0.090 0.000 1.184 1101 V CA 1.202 63.491 62.300 -0.018 0.000 1.104 1101 V CB 0.029 31.894 31.823 0.070 0.000 0.799 1101 V HN 0.149 nan 8.190 nan 0.000 0.462 1102 T N -0.981 113.627 114.554 0.089 0.000 3.105 1102 T HA 0.040 4.389 4.350 -0.000 0.000 0.253 1102 T C 1.464 176.268 174.700 0.175 0.000 1.047 1102 T CA 0.483 62.662 62.100 0.133 0.000 0.944 1102 T CB -0.693 68.242 68.868 0.112 0.000 1.016 1102 T HN 0.738 nan 8.240 nan 0.000 0.544 1103 H N 1.730 120.794 119.070 -0.009 0.000 2.553 1103 H HA 0.207 4.762 4.556 -0.000 0.000 0.269 1103 H C 0.951 176.253 175.328 -0.043 0.000 1.011 1103 H CA 0.516 56.547 56.048 -0.029 0.000 1.150 1103 H CB -0.372 29.363 29.762 -0.045 0.000 1.339 1103 H HN 0.819 nan 8.280 nan 0.000 0.604 1104 E N -0.154 120.063 120.200 0.029 0.000 2.641 1104 E HA 0.189 4.538 4.350 -0.000 0.000 0.224 1104 E C -0.471 176.097 176.600 -0.054 0.000 0.951 1104 E CA -0.504 55.806 56.400 -0.150 0.000 1.102 1104 E CB 0.290 29.870 29.700 -0.200 0.000 1.091 1104 E HN 0.089 nan 8.360 nan 0.000 0.507 1105 I N 2.133 122.712 120.570 0.015 0.000 2.395 1105 I HA 0.195 4.365 4.170 -0.000 0.000 0.289 1105 I C -0.177 175.942 176.117 0.004 0.000 1.023 1105 I CA -0.570 60.747 61.300 0.028 0.000 1.350 1105 I CB 1.469 39.506 38.000 0.062 0.000 1.409 1105 I HN -0.070 nan 8.210 nan 0.000 0.507 1106 V N 5.826 125.738 119.914 -0.003 0.000 3.181 1106 V HA 0.456 4.575 4.120 -0.000 0.000 0.307 1106 V C -0.805 175.272 176.094 -0.028 0.000 1.310 1106 V CA -0.901 61.384 62.300 -0.025 0.000 1.067 1106 V CB 2.420 34.227 31.823 -0.027 0.000 1.081 1106 V HN 0.193 nan 8.190 nan 0.000 0.453 1107 V N 3.824 123.711 119.914 -0.045 0.000 2.294 1107 V HA 0.578 4.697 4.120 -0.000 0.000 0.272 1107 V C -0.442 175.631 176.094 -0.035 0.000 1.027 1107 V CA -0.491 61.780 62.300 -0.048 0.000 0.823 1107 V CB 0.809 32.585 31.823 -0.078 0.000 1.030 1107 V HN 0.864 nan 8.190 nan 0.000 0.457 1108 R N 4.089 124.561 120.500 -0.046 0.000 2.514 1108 R HA 0.848 5.187 4.340 -0.000 0.000 0.296 1108 R C -0.814 175.414 176.300 -0.120 0.000 1.012 1108 R CA -0.661 55.395 56.100 -0.074 0.000 0.897 1108 R CB 2.170 32.455 30.300 -0.025 0.000 1.184 1108 R HN 0.779 nan 8.270 nan 0.000 0.440 1109 E N 1.776 121.840 120.200 -0.227 0.000 2.238 1109 E HA 0.735 5.085 4.350 -0.000 0.000 0.252 1109 E C -1.821 174.625 176.600 -0.258 0.000 1.317 1109 E CA -0.883 55.399 56.400 -0.196 0.000 0.921 1109 E CB 0.596 30.225 29.700 -0.119 0.000 1.626 1109 E HN 0.720 nan 8.360 nan 0.000 0.488 1110 A N 0.889 123.618 122.820 -0.153 0.000 2.500 1110 A HA 0.522 4.842 4.320 -0.000 0.000 0.288 1110 A C -1.335 176.208 177.584 -0.069 0.000 1.045 1110 A CA -0.314 51.654 52.037 -0.115 0.000 0.830 1110 A CB 0.946 19.891 19.000 -0.092 0.000 1.337 1110 A HN 0.757 nan 8.150 nan 0.000 0.400 1111 D N 2.277 122.649 120.400 -0.047 0.000 7.216 1111 D HA -0.055 4.585 4.640 -0.000 0.000 0.166 1111 D C 0.962 177.243 176.300 -0.032 0.000 1.310 1111 D CA 1.257 55.239 54.000 -0.030 0.000 0.825 1111 D CB -0.598 40.191 40.800 -0.018 0.000 1.567 1111 D HN 1.091 nan 8.370 nan 0.000 0.908 1112 C N 2.933 122.213 119.300 -0.033 0.000 2.465 1112 C HA 0.384 4.844 4.460 -0.000 0.000 0.402 1112 C C 2.062 177.037 174.990 -0.024 0.000 1.448 1112 C CA -0.226 58.773 59.018 -0.031 0.000 1.589 1112 C CB 0.015 27.738 27.740 -0.028 0.000 2.535 1112 C HN 0.670 nan 8.230 nan 0.000 0.600 1113 G N 2.695 111.482 108.800 -0.021 0.000 2.484 1113 G HA2 0.039 3.998 3.960 -0.000 0.000 0.218 1113 G HA3 0.039 3.998 3.960 -0.000 0.000 0.218 1113 G C 0.872 175.768 174.900 -0.007 0.000 1.130 1113 G CA 0.874 45.965 45.100 -0.015 0.000 0.784 1113 G HN 0.953 nan 8.290 nan 0.000 0.543 1114 T N 1.829 116.380 114.554 -0.004 0.000 2.754 1114 T HA 0.331 4.681 4.350 -0.000 0.000 0.282 1114 T C 0.132 174.846 174.700 0.023 0.000 0.923 1114 T CA -0.001 62.105 62.100 0.009 0.000 1.164 1114 T CB -0.032 68.839 68.868 0.006 0.000 0.873 1114 T HN 0.000 nan 8.240 nan 0.000 0.537 1115 T N 6.910 121.488 114.554 0.039 0.000 3.477 1115 T HA 0.273 4.623 4.350 -0.000 0.000 0.347 1115 T C 0.005 174.801 174.700 0.160 0.000 1.567 1115 T CA -0.716 61.428 62.100 0.072 0.000 1.169 1115 T CB -0.394 68.495 68.868 0.036 0.000 1.196 1115 T HN 0.488 nan 8.240 nan 0.000 0.768 1116 N N 3.206 121.988 118.700 0.136 0.000 2.518 1116 N HA 0.281 5.021 4.740 -0.000 0.000 0.254 1116 N C -0.619 174.960 175.510 0.115 0.000 0.979 1116 N CA -0.521 52.592 53.050 0.105 0.000 0.930 1116 N CB 1.480 39.984 38.487 0.029 0.000 1.152 1116 N HN 0.611 nan 8.380 nan 0.000 0.505 1117 Y N 0.078 120.366 120.300 -0.020 0.000 2.545 1117 Y HA 0.681 5.231 4.550 -0.000 0.000 0.324 1117 Y C -0.136 175.751 175.900 -0.022 0.000 1.220 1117 Y CA -1.261 56.822 58.100 -0.028 0.000 1.290 1117 Y CB 1.112 39.549 38.460 -0.038 0.000 1.355 1117 Y HN 0.124 nan 8.280 nan 0.000 0.516 1118 I N 2.108 122.709 120.570 0.052 0.000 2.354 1118 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 1118 I C -0.696 175.456 176.117 0.058 0.000 0.989 1118 I CA -0.774 60.514 61.300 -0.020 0.000 1.188 1118 I CB 1.479 39.474 38.000 -0.007 0.000 1.342 1118 I HN 0.723 nan 8.210 nan 0.000 0.457 1119 S N 5.968 121.675 115.700 0.011 0.000 2.411 1119 S HA 0.380 4.850 4.470 -0.000 0.000 0.294 1119 S C 0.061 174.676 174.600 0.026 0.000 1.115 1119 S CA -0.696 57.545 58.200 0.067 0.000 1.071 1119 S CB 0.902 64.132 63.200 0.050 0.000 0.967 1119 S HN 0.321 nan 8.310 nan 0.000 0.488 1120 V N 5.743 125.668 119.914 0.018 0.000 2.439 1120 V HA 0.189 4.309 4.120 -0.000 0.000 0.271 1120 V C -2.149 173.931 176.094 -0.023 0.000 1.040 1120 V CA -1.687 60.605 62.300 -0.014 0.000 1.002 1120 V CB -0.069 31.734 31.823 -0.033 0.000 1.000 1120 V HN 0.599 nan 8.190 nan 0.000 0.477 1121 P HA 0.174 nan 4.420 nan 0.000 0.271 1121 P C 0.154 177.400 177.300 -0.090 0.000 1.216 1121 P CA -0.142 62.950 63.100 -0.014 0.000 0.771 1121 P CB 0.758 32.466 31.700 0.015 0.000 0.864 1122 L N 2.221 123.327 121.223 -0.195 0.000 2.664 1122 L HA 0.310 4.649 4.340 -0.000 0.000 0.233 1122 L C -0.099 176.377 176.870 -0.657 0.000 1.113 1122 L CA 0.663 55.225 54.840 -0.463 0.000 0.896 1122 L CB -0.265 41.389 42.059 -0.674 0.000 1.163 1122 L HN 0.273 nan 8.230 nan 0.000 0.497 1123 F N -0.477 119.472 119.950 -0.000 0.000 2.540 1123 F HA 0.502 5.029 4.527 -0.000 0.000 0.317 1123 F C 0.116 175.915 175.800 -0.002 0.000 1.104 1123 F CA -1.199 56.801 58.000 0.000 0.000 0.913 1123 F CB 1.381 40.382 39.000 0.002 0.000 1.170 1123 F HN -0.086 nan 8.300 nan 0.000 0.450 1124 Q N 2.926 122.836 119.800 0.182 0.000 2.271 1124 Q HA 0.598 4.937 4.340 -0.000 0.000 0.258 1124 Q C -2.668 173.383 176.000 0.085 0.000 0.936 1124 Q CA -1.813 54.049 55.803 0.097 0.000 0.909 1124 Q CB 1.874 30.645 28.738 0.055 0.000 1.253 1124 Q HN 0.279 nan 8.270 nan 0.000 0.440 1125 P HA -0.163 nan 4.420 nan 0.000 0.217 1125 P C -0.723 176.597 177.300 0.033 0.000 1.235 1125 P CA 0.646 63.772 63.100 0.043 0.000 0.726 1125 P CB 0.088 31.810 31.700 0.038 0.000 0.664 1126 D N -1.651 118.766 120.400 0.027 0.000 2.185 1126 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 1126 D C 0.366 176.678 176.300 0.020 0.000 1.027 1126 D CA -0.276 53.738 54.000 0.022 0.000 0.861 1126 D CB 0.979 41.791 40.800 0.020 0.000 1.202 1126 D HN 0.048 nan 8.370 nan 0.000 0.453 1127 E N 1.950 122.162 120.200 0.019 0.000 3.293 1127 E HA 0.066 4.416 4.350 -0.000 0.000 0.218 1127 E C 1.669 178.278 176.600 0.015 0.000 1.112 1127 E CA 0.291 56.701 56.400 0.017 0.000 1.642 1127 E CB 0.280 29.990 29.700 0.017 0.000 1.630 1127 E HN 0.352 nan 8.360 nan 0.000 0.820 1128 V N 0.574 120.498 119.914 0.015 0.000 2.725 1128 V HA 0.095 4.215 4.120 -0.000 0.000 0.247 1128 V C 1.221 177.323 176.094 0.013 0.000 1.058 1128 V CA 1.578 63.886 62.300 0.014 0.000 1.080 1128 V CB 0.386 32.217 31.823 0.014 0.000 0.713 1128 V HN 0.289 nan 8.190 nan 0.000 0.465 1129 T N -1.716 112.846 114.554 0.013 0.000 2.617 1129 T HA 0.184 4.534 4.350 -0.000 0.000 0.258 1129 T C -1.593 173.114 174.700 0.012 0.000 2.080 1129 T CA -0.792 61.316 62.100 0.012 0.000 0.956 1129 T CB 0.452 69.325 68.868 0.010 0.000 2.249 1129 T HN 0.055 nan 8.240 nan 0.000 0.417 1130 R N 1.300 121.806 120.500 0.010 0.000 2.351 1130 R HA 0.661 5.001 4.340 -0.000 0.000 0.318 1130 R C -1.061 175.240 176.300 0.001 0.000 1.055 1130 R CA 0.577 56.682 56.100 0.008 0.000 0.968 1130 R CB 0.197 30.502 30.300 0.008 0.000 0.974 1130 R HN 0.611 nan 8.270 nan 0.000 0.439 1131 S N 3.509 119.209 115.700 0.000 0.000 2.561 1131 S HA 0.206 4.676 4.470 -0.000 0.000 0.292 1131 S C -1.473 173.124 174.600 -0.006 0.000 1.107 1131 S CA -0.927 57.269 58.200 -0.008 0.000 0.969 1131 S CB 0.712 63.912 63.200 0.001 0.000 1.150 1131 S HN 0.245 nan 8.310 nan 0.000 0.451 1132 L N 3.454 124.654 121.223 -0.038 0.000 2.410 1132 L HA 0.451 4.791 4.340 -0.000 0.000 0.273 1132 L C 0.836 177.710 176.870 0.007 0.000 1.144 1132 L CA 0.889 55.701 54.840 -0.048 0.000 0.863 1132 L CB -0.099 41.837 42.059 -0.206 0.000 1.140 1132 L HN 0.586 nan 8.230 nan 0.000 0.463 1133 R N 2.242 122.815 120.500 0.123 0.000 2.939 1133 R HA 0.672 5.012 4.340 -0.000 0.000 0.254 1133 R C -1.343 175.176 176.300 0.364 0.000 1.123 1133 R CA -1.306 54.900 56.100 0.176 0.000 1.020 1133 R CB 1.355 31.718 30.300 0.105 0.000 1.206 1133 R HN 0.231 nan 8.270 nan 0.000 0.491 1134 L N 2.013 123.388 121.223 0.254 0.000 2.257 1134 L HA 0.313 4.653 4.340 -0.000 0.000 0.290 1134 L C 0.146 177.038 176.870 0.036 0.000 1.044 1134 L CA -0.008 54.917 54.840 0.140 0.000 0.810 1134 L CB 0.704 42.822 42.059 0.099 0.000 1.193 1134 L HN 0.374 nan 8.230 nan 0.000 0.425 1135 R N 3.662 124.148 120.500 -0.024 0.000 2.678 1135 R HA -0.006 4.334 4.340 -0.000 0.000 0.264 1135 R C 0.022 176.307 176.300 -0.024 0.000 0.995 1135 R CA 0.197 56.283 56.100 -0.023 0.000 1.098 1135 R CB 0.359 30.625 30.300 -0.056 0.000 0.949 1135 R HN 0.595 nan 8.270 nan 0.000 0.422 1136 K N 2.699 123.093 120.400 -0.011 0.000 2.561 1136 K HA -0.177 4.143 4.320 -0.000 0.000 0.280 1136 K C 1.339 177.930 176.600 -0.015 0.000 0.975 1136 K CA 0.202 56.485 56.287 -0.007 0.000 1.024 1136 K CB 0.383 32.881 32.500 -0.003 0.000 0.883 1136 K HN 0.532 nan 8.250 nan 0.000 0.496 1137 R N 2.296 122.795 120.500 -0.002 0.000 2.133 1137 R HA -0.315 4.025 4.340 -0.000 0.000 0.245 1137 R C 2.018 178.312 176.300 -0.009 0.000 1.137 1137 R CA 2.224 58.329 56.100 0.009 0.000 0.947 1137 R CB -0.443 29.875 30.300 0.029 0.000 0.865 1137 R HN 0.839 nan 8.270 nan 0.000 0.437 1138 A N 1.612 124.422 122.820 -0.017 0.000 1.842 1138 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 1138 A C 1.776 179.325 177.584 -0.059 0.000 1.206 1138 A CA 2.158 54.172 52.037 -0.039 0.000 0.630 1138 A CB -0.975 18.007 19.000 -0.031 0.000 0.839 1138 A HN 0.545 nan 8.150 nan 0.000 0.447 1139 D N 0.147 120.518 120.400 -0.048 0.000 2.126 1139 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 1139 D C 1.908 178.159 176.300 -0.082 0.000 1.001 1139 D CA 1.760 55.724 54.000 -0.061 0.000 0.841 1139 D CB -0.610 40.163 40.800 -0.044 0.000 0.949 1139 D HN 0.566 nan 8.370 nan 0.000 0.446 1140 I N 1.273 121.798 120.570 -0.074 0.000 2.248 1140 I HA -0.280 3.890 4.170 -0.000 0.000 0.248 1140 I C 2.347 178.411 176.117 -0.090 0.000 1.107 1140 I CA 1.305 62.554 61.300 -0.086 0.000 1.373 1140 I CB -0.384 37.568 38.000 -0.080 0.000 1.055 1140 I HN 0.044 nan 8.210 nan 0.000 0.418 1141 E N 1.108 121.258 120.200 -0.084 0.000 2.051 1141 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 1141 E C 2.401 178.910 176.600 -0.152 0.000 0.991 1141 E CA 1.272 57.620 56.400 -0.088 0.000 0.799 1141 E CB -0.268 29.367 29.700 -0.108 0.000 0.748 1141 E HN 0.528 nan 8.360 nan 0.000 0.449 1142 A N 1.235 123.936 122.820 -0.198 0.000 1.917 1142 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 1142 A C 2.394 179.696 177.584 -0.470 0.000 1.182 1142 A CA 1.959 53.804 52.037 -0.319 0.000 0.633 1142 A CB -1.009 17.878 19.000 -0.188 0.000 0.819 1142 A HN 0.375 nan 8.150 nan 0.000 0.448 1143 G N -1.647 107.001 108.800 -0.254 0.000 2.603 1143 G HA2 0.241 4.201 3.960 -0.000 0.000 0.214 1143 G HA3 0.241 4.201 3.960 -0.000 0.000 0.214 1143 G C 1.397 176.222 174.900 -0.124 0.000 1.140 1143 G CA 0.662 45.654 45.100 -0.180 0.000 0.800 1143 G HN 0.407 nan 8.290 nan 0.000 0.533 1144 L N -1.356 119.799 121.223 -0.115 0.000 2.388 1144 L HA 0.334 4.674 4.340 -0.000 0.000 0.209 1144 L C 1.195 178.047 176.870 -0.030 0.000 1.061 1144 L CA -0.602 54.199 54.840 -0.066 0.000 0.834 1144 L CB -0.187 41.832 42.059 -0.066 0.000 1.029 1144 L HN 0.187 nan 8.230 nan 0.000 0.473 1145 Y N 1.737 121.958 120.300 -0.131 0.000 2.986 1145 Y HA 0.039 4.589 4.550 -0.001 0.000 0.342 1145 Y C 1.425 177.363 175.900 0.063 0.000 1.275 1145 Y CA 0.590 58.661 58.100 -0.049 0.000 1.527 1145 Y CB 0.433 38.869 38.460 -0.040 0.000 1.296 1145 Y HN 0.263 nan 8.280 nan 0.000 0.628 1146 G N 5.010 113.236 108.800 -0.956 0.000 2.416 1146 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.301 1146 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.301 1146 G C 0.280 174.983 174.900 -0.328 0.000 0.985 1146 G CA 0.370 45.005 45.100 -0.775 0.000 0.934 1146 G HN 0.587 nan 8.290 nan 0.000 0.513 1147 R N -1.581 118.734 120.500 -0.308 0.000 2.700 1147 R HA 0.677 5.017 4.340 -0.000 0.000 0.253 1147 R C -0.205 175.916 176.300 -0.299 0.000 1.091 1147 R CA -0.821 55.153 56.100 -0.210 0.000 1.104 1147 R CB 1.600 31.821 30.300 -0.132 0.000 1.202 1147 R HN 0.114 nan 8.270 nan 0.000 0.532 1148 V N 2.657 122.387 119.914 -0.306 0.000 2.407 1148 V HA 0.292 4.411 4.120 -0.000 0.000 0.291 1148 V C 0.310 176.242 176.094 -0.271 0.000 1.018 1148 V CA -0.738 61.310 62.300 -0.420 0.000 0.842 1148 V CB 1.622 33.117 31.823 -0.546 0.000 0.996 1148 V HN 0.485 nan 8.190 nan 0.000 0.426 1149 L N 4.151 125.230 121.223 -0.241 0.000 2.534 1149 L HA 0.125 4.464 4.340 -0.000 0.000 0.271 1149 L C 1.763 178.506 176.870 -0.212 0.000 1.178 1149 L CA 0.279 55.005 54.840 -0.190 0.000 0.907 1149 L CB 0.813 42.777 42.059 -0.159 0.000 1.164 1149 L HN 0.871 nan 8.230 nan 0.000 0.482 1150 A N 6.131 128.807 122.820 -0.241 0.000 1.851 1150 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 1150 A C 0.955 178.326 177.584 -0.354 0.000 1.195 1150 A CA 1.167 53.002 52.037 -0.337 0.000 0.622 1150 A CB -0.026 18.590 19.000 -0.641 0.000 0.831 1150 A HN 0.785 nan 8.150 nan 0.000 0.444 1151 R N -0.578 119.695 120.500 -0.378 0.000 2.795 1151 R HA 0.487 4.827 4.340 -0.000 0.000 0.275 1151 R C -0.680 175.513 176.300 -0.178 0.000 0.981 1151 R CA -0.917 55.021 56.100 -0.271 0.000 0.917 1151 R CB 1.133 31.245 30.300 -0.314 0.000 1.202 1151 R HN 0.294 nan 8.270 nan 0.000 0.469 1152 E N 1.760 121.885 120.200 -0.124 0.000 2.415 1152 E HA 0.101 4.450 4.350 -0.000 0.000 0.262 1152 E C -1.127 175.431 176.600 -0.070 0.000 1.038 1152 E CA 0.096 56.444 56.400 -0.086 0.000 0.921 1152 E CB 1.021 30.683 29.700 -0.064 0.000 0.950 1152 E HN 0.363 nan 8.360 nan 0.000 0.438 1153 V N 4.646 124.527 119.914 -0.054 0.000 2.610 1153 V HA 0.146 4.265 4.120 -0.000 0.000 0.298 1153 V C -0.621 175.459 176.094 -0.023 0.000 1.067 1153 V CA -0.753 61.526 62.300 -0.036 0.000 0.894 1153 V CB 1.707 33.509 31.823 -0.034 0.000 1.015 1153 V HN 0.647 nan 8.190 nan 0.000 0.432 1154 E N 2.783 122.974 120.200 -0.015 0.000 2.259 1154 E HA 0.386 4.736 4.350 -0.000 0.000 0.281 1154 E C -0.113 176.486 176.600 -0.002 0.000 1.037 1154 E CA -0.204 56.191 56.400 -0.008 0.000 0.854 1154 E CB 2.266 31.963 29.700 -0.006 0.000 1.051 1154 E HN 0.487 nan 8.360 nan 0.000 0.409 1155 V N 3.224 123.138 119.914 0.001 0.000 3.050 1155 V HA 0.014 4.134 4.120 -0.000 0.000 0.223 1155 V C 1.232 177.333 176.094 0.013 0.000 1.162 1155 V CA 0.082 62.387 62.300 0.008 0.000 1.247 1155 V CB 0.014 31.841 31.823 0.007 0.000 1.125 1155 V HN 0.588 nan 8.190 nan 0.000 0.508 1156 L N 0.090 121.321 121.223 0.012 0.000 3.014 1156 L HA 0.549 4.888 4.340 -0.000 0.000 0.263 1156 L C 1.068 177.944 176.870 0.011 0.000 1.207 1156 L CA 0.876 55.725 54.840 0.015 0.000 1.017 1156 L CB 0.902 42.971 42.059 0.018 0.000 1.360 1156 L HN 0.702 nan 8.230 nan 0.000 0.560 1157 G N -0.727 108.078 108.800 0.008 0.000 2.624 1157 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.190 1157 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.190 1157 G C -0.046 174.857 174.900 0.004 0.000 1.008 1157 G CA -0.145 44.959 45.100 0.007 0.000 0.731 1157 G HN -0.016 nan 8.290 nan 0.000 0.478 1158 V N 1.614 121.530 119.914 0.004 0.000 2.713 1158 V HA 0.671 4.791 4.120 -0.000 0.000 0.307 1158 V C 0.603 176.696 176.094 -0.003 0.000 1.052 1158 V CA -0.897 61.404 62.300 0.002 0.000 0.967 1158 V CB 1.809 33.635 31.823 0.003 0.000 1.019 1158 V HN 0.347 nan 8.190 nan 0.000 0.459 1159 R N 3.518 124.015 120.500 -0.005 0.000 2.280 1159 R HA 0.411 4.751 4.340 -0.000 0.000 0.326 1159 R C -1.112 175.179 176.300 -0.015 0.000 1.080 1159 R CA -0.500 55.594 56.100 -0.011 0.000 1.002 1159 R CB 0.174 30.468 30.300 -0.010 0.000 1.136 1159 R HN 0.724 nan 8.270 nan 0.000 0.509 1160 L N 6.612 127.822 121.223 -0.021 0.000 2.454 1160 L HA 0.074 4.414 4.340 -0.000 0.000 0.284 1160 L C 1.164 178.010 176.870 -0.039 0.000 1.139 1160 L CA -0.259 54.564 54.840 -0.029 0.000 0.911 1160 L CB 0.175 42.213 42.059 -0.036 0.000 1.262 1160 L HN 0.617 nan 8.230 nan 0.000 0.453 1161 E N 3.338 123.519 120.200 -0.033 0.000 2.461 1161 E HA -0.074 4.276 4.350 -0.000 0.000 0.263 1161 E C -0.108 176.455 176.600 -0.061 0.000 1.143 1161 E CA -0.264 56.113 56.400 -0.038 0.000 0.994 1161 E CB 0.934 30.621 29.700 -0.023 0.000 0.973 1161 E HN 0.413 nan 8.360 nan 0.000 0.457 1162 E N 0.174 120.332 120.200 -0.070 0.000 2.366 1162 E HA 0.162 4.512 4.350 -0.000 0.000 0.266 1162 E C 0.909 177.448 176.600 -0.102 0.000 1.051 1162 E CA 0.752 57.091 56.400 -0.101 0.000 0.884 1162 E CB 0.654 30.294 29.700 -0.100 0.000 1.006 1162 E HN 0.735 nan 8.360 nan 0.000 0.417 1163 G N 4.653 113.362 108.800 -0.151 0.000 2.353 1163 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.258 1163 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.258 1163 G C 0.676 175.444 174.900 -0.219 0.000 1.013 1163 G CA 0.687 45.671 45.100 -0.194 0.000 0.622 1163 G HN 0.633 nan 8.290 nan 0.000 0.535 1164 R N 0.372 120.813 120.500 -0.099 0.000 2.585 1164 R HA 0.217 4.557 4.340 -0.000 0.000 0.275 1164 R C -0.473 175.779 176.300 -0.079 0.000 1.018 1164 R CA -0.075 56.023 56.100 -0.003 0.000 1.072 1164 R CB -0.080 30.221 30.300 0.001 0.000 0.953 1164 R HN 0.257 nan 8.270 nan 0.000 0.419 1165 Y N 5.377 125.589 120.300 -0.145 0.000 2.452 1165 Y HA 0.143 4.693 4.550 -0.000 0.000 0.348 1165 Y C 0.211 175.874 175.900 -0.394 0.000 0.985 1165 Y CA -0.749 57.166 58.100 -0.309 0.000 1.214 1165 Y CB 0.550 38.815 38.460 -0.325 0.000 1.136 1165 Y HN 0.339 nan 8.280 nan 0.000 0.523 1166 L N 2.374 123.442 121.223 -0.259 0.000 2.456 1166 L HA 0.348 4.687 4.340 -0.000 0.000 0.277 1166 L C 0.705 177.382 176.870 -0.321 0.000 1.124 1166 L CA -0.569 54.137 54.840 -0.223 0.000 0.880 1166 L CB -0.172 41.790 42.059 -0.162 0.000 1.192 1166 L HN 0.581 nan 8.230 nan 0.000 0.463 1167 S N 3.122 118.713 115.700 -0.181 0.000 2.606 1167 S HA 0.116 4.586 4.470 -0.000 0.000 0.257 1167 S C 1.067 175.681 174.600 0.024 0.000 1.327 1167 S CA -0.326 57.842 58.200 -0.052 0.000 0.984 1167 S CB 0.875 64.137 63.200 0.103 0.000 0.941 1167 S HN 0.794 nan 8.310 nan 0.000 0.576 1168 M N 0.957 120.692 119.600 0.225 0.000 2.089 1168 M HA -0.166 4.314 4.480 -0.000 0.000 0.257 1168 M C 1.454 177.670 176.300 -0.141 0.000 1.071 1168 M CA 2.163 57.564 55.300 0.169 0.000 1.096 1168 M CB -1.133 31.671 32.600 0.341 0.000 1.330 1168 M HN 0.787 nan 8.290 nan 0.000 0.403 1169 D N 0.431 120.845 120.400 0.024 0.000 2.116 1169 D HA -0.206 4.434 4.640 -0.000 0.000 0.193 1169 D C 1.678 178.021 176.300 0.071 0.000 0.998 1169 D CA 1.857 55.925 54.000 0.114 0.000 0.836 1169 D CB -0.568 40.308 40.800 0.125 0.000 0.951 1169 D HN 0.528 nan 8.370 nan 0.000 0.449 1170 D N 0.283 120.696 120.400 0.023 0.000 2.149 1170 D HA -0.117 4.522 4.640 -0.000 0.000 0.198 1170 D C 2.130 178.425 176.300 -0.007 0.000 0.990 1170 D CA 0.723 54.725 54.000 0.004 0.000 0.839 1170 D CB 0.098 40.880 40.800 -0.030 0.000 0.948 1170 D HN 0.145 nan 8.370 nan 0.000 0.460 1171 V N 0.523 120.410 119.914 -0.045 0.000 2.970 1171 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 1171 V C 1.851 177.948 176.094 0.003 0.000 1.100 1171 V CA 1.211 63.482 62.300 -0.048 0.000 1.122 1171 V CB -0.743 31.042 31.823 -0.063 0.000 0.721 1171 V HN 0.257 nan 8.190 nan 0.000 0.483 1172 H N -0.938 118.152 119.070 0.033 0.000 2.372 1172 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 1172 H C 2.177 177.512 175.328 0.010 0.000 1.065 1172 H CA 1.098 57.161 56.048 0.025 0.000 1.364 1172 H CB 0.237 30.023 29.762 0.040 0.000 1.406 1172 H HN 0.292 nan 8.280 nan 0.000 0.521 1173 L N 0.899 122.207 121.223 0.142 0.000 1.955 1173 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 1173 L C 2.022 178.918 176.870 0.043 0.000 1.072 1173 L CA 1.539 56.423 54.840 0.073 0.000 0.755 1173 L CB -0.702 41.385 42.059 0.048 0.000 0.888 1173 L HN 0.258 nan 8.230 nan 0.000 0.432 1174 L N -0.988 120.248 121.223 0.022 0.000 2.089 1174 L HA -0.304 4.035 4.340 -0.000 0.000 0.213 1174 L C 2.475 179.337 176.870 -0.014 0.000 1.079 1174 L CA 1.647 56.483 54.840 -0.005 0.000 0.758 1174 L CB -0.560 41.481 42.059 -0.030 0.000 0.891 1174 L HN 0.366 nan 8.230 nan 0.000 0.433 1175 I N -0.359 120.212 120.570 0.002 0.000 2.202 1175 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 1175 I C 2.700 178.825 176.117 0.012 0.000 1.091 1175 I CA 1.267 62.561 61.300 -0.011 0.000 1.368 1175 I CB -0.384 37.633 38.000 0.028 0.000 1.058 1175 I HN 0.259 nan 8.210 nan 0.000 0.410 1176 K N 1.647 122.067 120.400 0.033 0.000 2.152 1176 K HA -0.204 4.115 4.320 -0.000 0.000 0.206 1176 K C 2.110 178.731 176.600 0.035 0.000 1.048 1176 K CA 1.590 57.896 56.287 0.032 0.000 0.933 1176 K CB -0.045 32.474 32.500 0.032 0.000 0.721 1176 K HN 0.308 nan 8.250 nan 0.000 0.447 1177 A N 1.045 123.884 122.820 0.033 0.000 1.897 1177 A HA 0.018 4.337 4.320 -0.000 0.000 0.215 1177 A C 2.332 179.954 177.584 0.063 0.000 1.181 1177 A CA 1.467 53.528 52.037 0.039 0.000 0.620 1177 A CB -0.694 18.323 19.000 0.029 0.000 0.821 1177 A HN 0.455 nan 8.150 nan 0.000 0.443 1178 A N -0.332 122.522 122.820 0.057 0.000 2.024 1178 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 1178 A C 1.908 179.611 177.584 0.198 0.000 1.164 1178 A CA 1.609 53.726 52.037 0.133 0.000 0.643 1178 A CB -0.477 18.485 19.000 -0.063 0.000 0.806 1178 A HN 0.629 nan 8.150 nan 0.000 0.451 1179 E N -0.416 119.851 120.200 0.113 0.000 2.077 1179 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 1179 E C 2.349 179.003 176.600 0.090 0.000 0.989 1179 E CA 1.056 57.519 56.400 0.105 0.000 0.800 1179 E CB -0.220 29.518 29.700 0.063 0.000 0.746 1179 E HN 0.633 nan 8.360 nan 0.000 0.452 1180 A N 0.157 123.021 122.820 0.073 0.000 1.929 1180 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 1180 A C 1.604 179.224 177.584 0.059 0.000 1.176 1180 A CA 1.491 53.560 52.037 0.054 0.000 0.628 1180 A CB -0.173 18.852 19.000 0.043 0.000 0.816 1180 A HN 0.366 nan 8.150 nan 0.000 0.444 1181 G N -1.170 107.682 108.800 0.087 0.000 2.468 1181 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.143 1181 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.143 1181 G C -0.007 174.936 174.900 0.072 0.000 1.065 1181 G CA 0.381 45.531 45.100 0.084 0.000 0.776 1181 G HN 0.432 nan 8.290 nan 0.000 0.486 1182 E N -1.116 119.136 120.200 0.086 0.000 2.485 1182 E HA 0.326 4.676 4.350 -0.000 0.000 0.213 1182 E C 0.469 177.114 176.600 0.074 0.000 0.923 1182 E CA 0.620 57.057 56.400 0.063 0.000 1.054 1182 E CB 0.688 30.414 29.700 0.044 0.000 1.077 1182 E HN 0.695 nan 8.360 nan 0.000 0.509 1183 I N -1.392 119.246 120.570 0.113 0.000 2.644 1183 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 1183 I C -0.110 176.139 176.117 0.220 0.000 1.180 1183 I CA -0.713 60.655 61.300 0.113 0.000 1.040 1183 I CB 1.934 39.966 38.000 0.053 0.000 1.255 1183 I HN -0.333 nan 8.210 nan 0.000 0.422 1184 Q N 1.983 121.930 119.800 0.245 0.000 2.378 1184 Q HA 0.391 4.731 4.340 -0.000 0.000 0.229 1184 Q C -0.049 176.074 176.000 0.206 0.000 0.882 1184 Q CA 0.760 56.830 55.803 0.444 0.000 0.936 1184 Q CB 0.839 29.792 28.738 0.358 0.000 1.092 1184 Q HN 0.759 nan 8.270 nan 0.000 0.535 1185 E N -1.082 119.180 120.200 0.104 0.000 2.447 1185 E HA 0.662 5.012 4.350 -0.000 0.000 0.258 1185 E C -1.153 175.463 176.600 0.027 0.000 0.916 1185 E CA -1.024 55.409 56.400 0.054 0.000 0.846 1185 E CB 2.414 32.157 29.700 0.072 0.000 1.517 1185 E HN -0.289 nan 8.360 nan 0.000 0.418 1186 V N 2.038 121.970 119.914 0.030 0.000 2.697 1186 V HA 0.250 4.369 4.120 -0.000 0.000 0.300 1186 V C -2.618 173.511 176.094 0.059 0.000 1.115 1186 V CA -1.466 60.845 62.300 0.018 0.000 0.912 1186 V CB 2.052 33.862 31.823 -0.022 0.000 1.024 1186 V HN 0.503 nan 8.190 nan 0.000 0.431 1187 P HA 0.312 nan 4.420 nan 0.000 0.281 1187 P C -0.899 176.376 177.300 -0.040 0.000 1.286 1187 P CA 0.113 63.241 63.100 0.047 0.000 0.772 1187 P CB 2.004 33.563 31.700 -0.234 0.000 0.862 1188 V N 5.001 124.955 119.914 0.068 0.000 2.851 1188 V HA 0.376 4.496 4.120 -0.000 0.000 0.307 1188 V C -0.356 175.751 176.094 0.022 0.000 1.129 1188 V CA -1.032 61.257 62.300 -0.019 0.000 0.932 1188 V CB 2.613 34.412 31.823 -0.041 0.000 1.024 1188 V HN 0.355 nan 8.190 nan 0.000 0.426 1189 R N 2.905 123.376 120.500 -0.048 0.000 2.679 1189 R HA 0.547 4.886 4.340 -0.000 0.000 0.268 1189 R C -0.081 176.194 176.300 -0.042 0.000 1.044 1189 R CA 0.435 56.515 56.100 -0.034 0.000 1.105 1189 R CB 1.105 31.351 30.300 -0.090 0.000 0.989 1189 R HN 0.915 nan 8.270 nan 0.000 0.447 1190 S N 2.057 117.745 115.700 -0.020 0.000 2.565 1190 S HA 0.371 4.841 4.470 -0.000 0.000 0.269 1190 S C -2.266 172.324 174.600 -0.016 0.000 1.153 1190 S CA -1.201 56.976 58.200 -0.037 0.000 0.835 1190 S CB 1.776 64.959 63.200 -0.029 0.000 1.122 1190 S HN 0.216 nan 8.310 nan 0.000 0.462 1191 P HA -0.014 nan 4.420 nan 0.000 0.216 1191 P C 1.412 178.718 177.300 0.010 0.000 1.150 1191 P CA 1.131 64.244 63.100 0.021 0.000 0.837 1191 P CB -0.051 31.675 31.700 0.043 0.000 0.786 1192 L N -1.314 119.909 121.223 -0.001 0.000 2.357 1192 L HA -0.154 4.186 4.340 -0.000 0.000 0.220 1192 L C 1.122 177.991 176.870 -0.002 0.000 1.123 1192 L CA 1.900 56.739 54.840 -0.003 0.000 0.782 1192 L CB -1.379 40.674 42.059 -0.010 0.000 0.910 1192 L HN 0.187 nan 8.230 nan 0.000 0.442 1193 T N -5.797 108.757 114.554 -0.001 0.000 3.571 1193 T HA 0.232 4.581 4.350 -0.000 0.000 0.292 1193 T C -0.052 174.649 174.700 0.001 0.000 0.994 1193 T CA -0.608 61.493 62.100 0.000 0.000 0.996 1193 T CB -0.656 68.214 68.868 0.003 0.000 1.185 1193 T HN 0.020 nan 8.240 nan 0.000 0.482 1194 C N 2.721 122.019 119.300 -0.005 0.000 2.605 1194 C HA 0.370 4.830 4.460 -0.000 0.000 0.404 1194 C C 2.138 177.110 174.990 -0.031 0.000 1.284 1194 C CA -0.081 58.930 59.018 -0.011 0.000 2.199 1194 C CB 1.078 28.816 27.740 -0.003 0.000 2.647 1194 C HN 0.881 nan 8.230 nan 0.000 0.604 1195 Q N 1.542 121.320 119.800 -0.036 0.000 2.204 1195 Q HA 0.015 4.355 4.340 -0.000 0.000 0.198 1195 Q C 0.596 176.544 176.000 -0.087 0.000 0.946 1195 Q CA 0.776 56.546 55.803 -0.055 0.000 0.859 1195 Q CB -0.449 28.264 28.738 -0.042 0.000 0.946 1195 Q HN 0.690 nan 8.270 nan 0.000 0.474 1196 T N 3.291 117.799 114.554 -0.076 0.000 2.734 1196 T HA -0.006 4.344 4.350 -0.000 0.000 0.269 1196 T C 0.558 175.172 174.700 -0.143 0.000 0.964 1196 T CA 0.322 62.365 62.100 -0.095 0.000 1.226 1196 T CB 0.342 69.174 68.868 -0.061 0.000 0.910 1196 T HN 0.451 nan 8.240 nan 0.000 0.534 1197 R N 3.612 123.961 120.500 -0.252 0.000 2.222 1197 R HA -0.213 4.127 4.340 -0.000 0.000 0.235 1197 R C 0.192 176.224 176.300 -0.446 0.000 1.112 1197 R CA 1.793 57.597 56.100 -0.493 0.000 0.897 1197 R CB -0.657 29.182 30.300 -0.769 0.000 0.882 1197 R HN 0.647 nan 8.270 nan 0.000 0.429 1198 Y N 1.308 121.560 120.300 -0.080 0.000 2.721 1198 Y HA 0.569 5.118 4.550 -0.001 0.000 0.328 1198 Y C 0.529 176.395 175.900 -0.057 0.000 1.003 1198 Y CA -0.328 57.728 58.100 -0.073 0.000 1.275 1198 Y CB 1.603 40.015 38.460 -0.080 0.000 1.097 1198 Y HN 0.686 nan 8.280 nan 0.000 0.514 1199 G N 0.390 109.242 108.800 0.086 0.000 2.359 1199 G HA2 0.266 4.226 3.960 -0.000 0.000 0.314 1199 G HA3 0.266 4.226 3.960 -0.000 0.000 0.314 1199 G C -2.264 172.646 174.900 0.017 0.000 1.364 1199 G CA -0.967 44.155 45.100 0.036 0.000 0.978 1199 G HN 0.292 nan 8.290 nan 0.000 0.615 1200 V N -0.248 119.674 119.914 0.013 0.000 2.932 1200 V HA 0.601 4.721 4.120 -0.000 0.000 0.307 1200 V C 0.876 176.980 176.094 0.016 0.000 1.147 1200 V CA -0.234 62.082 62.300 0.027 0.000 0.951 1200 V CB 1.422 33.291 31.823 0.076 0.000 1.031 1200 V HN 1.812 nan 8.190 nan 0.000 0.426 1201 C N 2.407 121.716 119.300 0.016 0.000 2.365 1201 C HA 0.496 4.956 4.460 -0.000 0.000 0.374 1201 C C 1.682 176.701 174.990 0.049 0.000 1.318 1201 C CA -0.213 58.807 59.018 0.004 0.000 2.239 1201 C CB 0.981 28.708 27.740 -0.023 0.000 2.144 1201 C HN 1.017 nan 8.230 nan 0.000 0.581 1202 Q N 0.522 120.347 119.800 0.042 0.000 2.030 1202 Q HA -0.159 4.180 4.340 -0.000 0.000 0.204 1202 Q C 2.241 178.317 176.000 0.127 0.000 0.986 1202 Q CA 2.033 57.901 55.803 0.109 0.000 0.843 1202 Q CB -0.103 28.698 28.738 0.104 0.000 0.904 1202 Q HN 0.764 nan 8.270 nan 0.000 0.420 1203 K N -0.599 119.828 120.400 0.045 0.000 2.209 1203 K HA -0.133 4.186 4.320 -0.000 0.000 0.204 1203 K C 2.138 178.695 176.600 -0.072 0.000 1.048 1203 K CA 1.050 57.300 56.287 -0.063 0.000 0.940 1203 K CB -0.043 32.405 32.500 -0.086 0.000 0.729 1203 K HN 0.328 nan 8.250 nan 0.000 0.451 1204 C N -0.328 118.970 119.300 -0.003 0.000 2.518 1204 C HA -0.085 4.374 4.460 -0.000 0.000 0.279 1204 C C 2.443 177.442 174.990 0.015 0.000 1.279 1204 C CA 0.127 59.145 59.018 0.001 0.000 1.703 1204 C CB -0.667 27.089 27.740 0.026 0.000 2.072 1204 C HN 0.454 nan 8.230 nan 0.000 0.487 1205 Y N 1.465 121.747 120.300 -0.029 0.000 2.090 1205 Y HA 0.313 4.863 4.550 -0.001 0.000 0.274 1205 Y C 1.611 177.490 175.900 -0.036 0.000 1.110 1205 Y CA 2.353 60.432 58.100 -0.034 0.000 1.092 1205 Y CB -0.646 37.812 38.460 -0.003 0.000 0.992 1205 Y HN 0.441 nan 8.280 nan 0.000 0.479 1206 G N -2.440 106.496 108.800 0.227 0.000 2.217 1206 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.126 1206 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.126 1206 G C 0.196 175.383 174.900 0.478 0.000 1.293 1206 G CA -0.075 45.146 45.100 0.202 0.000 1.219 1206 G HN 0.346 nan 8.290 nan 0.000 0.477 1207 Y N 0.880 121.297 120.300 0.194 0.000 2.314 1207 Y HA 0.208 4.758 4.550 -0.000 0.000 0.259 1207 Y C 1.491 177.491 175.900 0.167 0.000 1.052 1207 Y CA 0.770 58.953 58.100 0.138 0.000 1.056 1207 Y CB -0.197 38.259 38.460 -0.008 0.000 1.023 1207 Y HN 0.450 nan 8.280 nan 0.000 0.471 1208 D N 1.922 122.549 120.400 0.378 0.000 4.265 1208 D HA -0.112 4.527 4.640 -0.000 0.000 0.234 1208 D C -0.643 175.831 176.300 0.289 0.000 1.386 1208 D CA 0.612 54.803 54.000 0.319 0.000 0.885 1208 D CB -0.379 40.633 40.800 0.353 0.000 1.239 1208 D HN 0.151 nan 8.370 nan 0.000 0.681 1209 L N 2.346 123.673 121.223 0.172 0.000 2.299 1209 L HA 0.372 4.711 4.340 -0.000 0.000 0.268 1209 L C 1.376 178.314 176.870 0.114 0.000 1.012 1209 L CA -0.641 54.265 54.840 0.110 0.000 0.816 1209 L CB 1.250 43.344 42.059 0.058 0.000 1.355 1209 L HN 0.162 nan 8.230 nan 0.000 0.457 1210 S N 0.545 116.292 115.700 0.079 0.000 2.380 1210 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 1210 S C 1.010 175.687 174.600 0.128 0.000 1.043 1210 S CA 1.808 60.048 58.200 0.066 0.000 1.038 1210 S CB -0.406 62.816 63.200 0.037 0.000 0.872 1210 S HN 0.580 nan 8.310 nan 0.000 0.456 1211 M N 0.232 119.937 119.600 0.175 0.000 1.715 1211 M HA 0.208 4.687 4.480 -0.000 0.000 0.170 1211 M C 1.052 177.504 176.300 0.253 0.000 1.261 1211 M CA 0.854 56.338 55.300 0.306 0.000 0.770 1211 M CB 0.245 32.895 32.600 0.083 0.000 1.112 1211 M HN 0.155 nan 8.290 nan 0.000 0.385 1212 A N 0.235 123.136 122.820 0.135 0.000 2.259 1212 A HA 0.172 4.491 4.320 -0.000 0.000 0.213 1212 A C 0.788 177.971 177.584 -0.668 0.000 1.209 1212 A CA -0.186 51.770 52.037 -0.135 0.000 0.910 1212 A CB -0.040 18.968 19.000 0.013 0.000 0.946 1212 A HN 0.831 nan 8.150 nan 0.000 0.497 1213 R N 0.184 120.424 120.500 -0.434 0.000 2.747 1213 R HA 0.368 4.708 4.340 -0.000 0.000 0.278 1213 R C -2.713 173.377 176.300 -0.349 0.000 1.153 1213 R CA -1.203 54.624 56.100 -0.455 0.000 1.206 1213 R CB -0.845 29.292 30.300 -0.271 0.000 1.161 1213 R HN -0.088 nan 8.270 nan 0.000 0.589 1214 P HA -0.088 nan 4.420 nan 0.000 0.267 1214 P C -0.630 176.692 177.300 0.037 0.000 1.201 1214 P CA -0.148 62.900 63.100 -0.088 0.000 0.775 1214 P CB 0.374 31.874 31.700 -0.333 0.000 0.854 1215 V N 3.039 123.053 119.914 0.167 0.000 2.557 1215 V HA -0.057 4.063 4.120 -0.000 0.000 0.301 1215 V C 0.731 176.868 176.094 0.072 0.000 1.026 1215 V CA 0.818 63.190 62.300 0.120 0.000 1.137 1215 V CB -0.090 31.823 31.823 0.150 0.000 0.917 1215 V HN 0.542 nan 8.190 nan 0.000 0.484 1216 S N 6.174 121.900 115.700 0.044 0.000 2.528 1216 S HA 0.333 4.802 4.470 -0.000 0.000 0.277 1216 S C 0.152 174.794 174.600 0.070 0.000 1.297 1216 S CA -0.584 57.654 58.200 0.064 0.000 1.052 1216 S CB 0.335 63.566 63.200 0.052 0.000 0.917 1216 S HN 0.429 nan 8.310 nan 0.000 0.492 1217 I N 2.598 123.239 120.570 0.117 0.000 2.710 1217 I HA 0.170 4.339 4.170 -0.000 0.000 0.286 1217 I C 1.516 177.724 176.117 0.152 0.000 1.181 1217 I CA 0.826 62.178 61.300 0.086 0.000 1.430 1217 I CB -0.360 37.632 38.000 -0.013 0.000 1.367 1217 I HN 0.988 nan 8.210 nan 0.000 0.577 1218 G N 4.717 113.563 108.800 0.077 0.000 2.138 1218 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.193 1218 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.193 1218 G C 0.057 174.970 174.900 0.021 0.000 0.998 1218 G CA -0.094 45.052 45.100 0.077 0.000 0.668 1218 G HN 0.668 nan 8.290 nan 0.000 0.516 1219 E N 0.419 120.607 120.200 -0.020 0.000 2.175 1219 E HA 0.682 5.032 4.350 -0.000 0.000 0.278 1219 E C 0.832 177.384 176.600 -0.078 0.000 0.969 1219 E CA -0.277 56.091 56.400 -0.053 0.000 0.796 1219 E CB 1.026 30.675 29.700 -0.085 0.000 1.104 1219 E HN 0.720 nan 8.360 nan 0.000 0.395 1220 A N 5.016 127.803 122.820 -0.056 0.000 3.076 1220 A HA 0.059 4.379 4.320 -0.000 0.000 0.269 1220 A C 1.096 178.644 177.584 -0.059 0.000 1.916 1220 A CA -0.082 51.926 52.037 -0.048 0.000 1.492 1220 A CB -0.670 18.312 19.000 -0.029 0.000 1.000 1220 A HN 0.602 nan 8.150 nan 0.000 0.615 1221 V N 1.891 121.741 119.914 -0.107 0.000 2.332 1221 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 1221 V C 2.870 178.973 176.094 0.015 0.000 1.055 1221 V CA 2.420 64.649 62.300 -0.119 0.000 1.038 1221 V CB -1.164 30.482 31.823 -0.295 0.000 0.651 1221 V HN 0.801 nan 8.190 nan 0.000 0.450 1222 G N 0.636 109.451 108.800 0.025 0.000 2.599 1222 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 1222 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 1222 G C 1.406 176.342 174.900 0.062 0.000 1.193 1222 G CA 1.488 46.627 45.100 0.065 0.000 0.778 1222 G HN 0.364 nan 8.290 nan 0.000 0.589 1223 I N 0.691 121.282 120.570 0.034 0.000 2.039 1223 I HA -0.173 3.997 4.170 -0.000 0.000 0.233 1223 I C 3.052 179.173 176.117 0.007 0.000 1.040 1223 I CA 0.865 62.180 61.300 0.024 0.000 1.308 1223 I CB -1.565 36.441 38.000 0.010 0.000 1.035 1223 I HN 0.076 nan 8.210 nan 0.000 0.392 1224 V N 1.427 121.338 119.914 -0.006 0.000 2.311 1224 V HA -0.387 3.732 4.120 -0.000 0.000 0.259 1224 V C 2.744 178.760 176.094 -0.131 0.000 1.086 1224 V CA 2.425 64.702 62.300 -0.039 0.000 1.078 1224 V CB -1.245 30.575 31.823 -0.006 0.000 0.668 1224 V HN 0.605 nan 8.190 nan 0.000 0.452 1225 A N -0.911 121.891 122.820 -0.029 0.000 1.897 1225 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 1225 A C 2.398 179.963 177.584 -0.032 0.000 1.181 1225 A CA 1.732 53.745 52.037 -0.040 0.000 0.620 1225 A CB -0.675 18.494 19.000 0.280 0.000 0.821 1225 A HN 0.620 nan 8.150 nan 0.000 0.443 1226 A N -0.467 122.363 122.820 0.017 0.000 1.902 1226 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 1226 A C 2.146 179.717 177.584 -0.020 0.000 1.181 1226 A CA 1.699 53.744 52.037 0.014 0.000 0.623 1226 A CB -0.569 18.443 19.000 0.021 0.000 0.818 1226 A HN 0.651 nan 8.150 nan 0.000 0.443 1227 Q N 0.100 119.882 119.800 -0.030 0.000 1.967 1227 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 1227 Q C 2.475 178.462 176.000 -0.023 0.000 0.985 1227 Q CA 2.078 57.873 55.803 -0.015 0.000 0.839 1227 Q CB -0.387 28.355 28.738 0.006 0.000 0.906 1227 Q HN 0.823 nan 8.270 nan 0.000 0.423 1228 S N 0.600 116.243 115.700 -0.094 0.000 2.441 1228 S HA -0.160 4.309 4.470 -0.000 0.000 0.242 1228 S C 1.788 176.371 174.600 -0.027 0.000 1.018 1228 S CA 1.187 59.330 58.200 -0.095 0.000 0.988 1228 S CB -0.447 62.557 63.200 -0.327 0.000 0.778 1228 S HN 0.307 nan 8.310 nan 0.000 0.498 1229 I N 1.134 121.686 120.570 -0.030 0.000 3.035 1229 I HA 0.157 4.327 4.170 -0.000 0.000 0.271 1229 I C 2.616 178.760 176.117 0.045 0.000 1.190 1229 I CA 0.597 61.892 61.300 -0.008 0.000 1.472 1229 I CB -0.575 37.416 38.000 -0.015 0.000 1.116 1229 I HN 0.422 nan 8.210 nan 0.000 0.443 1230 G N 0.790 109.595 108.800 0.008 0.000 2.404 1230 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.213 1230 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.213 1230 G C 1.426 176.340 174.900 0.023 0.000 1.189 1230 G CA 0.562 45.663 45.100 0.000 0.000 0.796 1230 G HN 0.406 nan 8.290 nan 0.000 0.532 1231 E N 1.337 121.547 120.200 0.017 0.000 2.055 1231 E HA -0.205 4.144 4.350 -0.000 0.000 0.209 1231 E C -0.059 176.553 176.600 0.019 0.000 1.036 1231 E CA 1.896 58.291 56.400 -0.008 0.000 0.849 1231 E CB -0.868 28.816 29.700 -0.027 0.000 0.767 1231 E HN 0.301 nan 8.360 nan 0.000 0.461 1232 P HA -0.154 nan 4.420 nan 0.000 0.217 1232 P C 1.324 178.617 177.300 -0.011 0.000 1.148 1232 P CA 2.054 65.206 63.100 0.086 0.000 0.834 1232 P CB -0.475 31.400 31.700 0.292 0.000 0.783 1233 G N -0.889 107.923 108.800 0.020 0.000 2.475 1233 G HA2 -0.290 3.669 3.960 -0.000 0.000 0.220 1233 G HA3 -0.290 3.669 3.960 -0.000 0.000 0.220 1233 G C 1.365 176.231 174.900 -0.057 0.000 1.125 1233 G CA 1.541 46.612 45.100 -0.048 0.000 0.755 1233 G HN 0.206 nan 8.290 nan 0.000 0.565 1234 T N 0.421 114.954 114.554 -0.034 0.000 2.869 1234 T HA -0.129 4.221 4.350 -0.000 0.000 0.270 1234 T C 1.941 176.616 174.700 -0.042 0.000 1.082 1234 T CA 1.592 63.674 62.100 -0.031 0.000 1.123 1234 T CB -0.112 68.739 68.868 -0.028 0.000 0.856 1234 T HN 0.419 nan 8.240 nan 0.000 0.499 1235 Q N 0.101 119.864 119.800 -0.062 0.000 2.188 1235 Q HA 0.345 4.685 4.340 -0.000 0.000 0.212 1235 Q C -0.206 175.738 176.000 -0.094 0.000 0.846 1235 Q CA -0.003 55.760 55.803 -0.066 0.000 0.989 1235 Q CB 0.322 29.024 28.738 -0.059 0.000 1.114 1235 Q HN 0.425 nan 8.270 nan 0.000 0.488 1236 L N 1.803 122.960 121.223 -0.110 0.000 2.407 1236 L HA 0.411 4.750 4.340 -0.000 0.000 0.261 1236 L C -0.455 176.372 176.870 -0.072 0.000 1.108 1236 L CA -0.367 54.398 54.840 -0.125 0.000 0.995 1236 L CB -0.232 41.717 42.059 -0.183 0.000 1.349 1236 L HN 0.069 nan 8.230 nan 0.000 0.423 1237 T N -1.508 113.014 114.554 -0.053 0.000 2.876 1237 T HA 0.613 4.963 4.350 -0.000 0.000 0.289 1237 T C 0.041 174.725 174.700 -0.025 0.000 1.014 1237 T CA -0.837 61.244 62.100 -0.031 0.000 0.986 1237 T CB 2.866 71.721 68.868 -0.021 0.000 1.021 1237 T HN 0.055 nan 8.240 nan 0.000 0.458 1238 M N 1.127 120.717 119.600 -0.016 0.000 2.544 1238 M HA 0.629 5.108 4.480 -0.000 0.000 0.239 1238 M C 0.521 176.818 176.300 -0.006 0.000 1.030 1238 M CA -0.433 54.861 55.300 -0.011 0.000 1.193 1238 M CB 0.653 33.249 32.600 -0.006 0.000 1.346 1238 M HN 0.918 nan 8.290 nan 0.000 0.651 1254 Q N 2.236 122.046 119.800 0.018 0.000 2.962 1254 Q HA 0.786 5.126 4.340 -0.000 0.000 0.282 1254 Q C 0.614 176.616 176.000 0.004 0.000 1.058 1254 Q CA 0.343 56.155 55.803 0.015 0.000 0.854 1254 Q CB 1.692 30.434 28.738 0.008 0.000 1.441 1254 Q HN 1.874 nan 8.270 nan 0.000 0.497 1255 G N 0.454 109.246 108.800 -0.013 0.000 2.584 1255 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.229 1255 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.229 1255 G C 0.361 175.244 174.900 -0.029 0.000 1.320 1255 G CA 0.095 45.171 45.100 -0.039 0.000 0.891 1255 G HN 0.773 nan 8.290 nan 0.000 0.573 1256 L N 1.699 122.899 121.223 -0.038 0.000 1.963 1256 L HA -0.001 4.338 4.340 -0.000 0.000 0.220 1256 L C 0.499 177.369 176.870 0.000 0.000 1.076 1256 L CA 3.829 58.653 54.840 -0.027 0.000 0.772 1256 L CB -1.248 40.802 42.059 -0.016 0.000 0.892 1256 L HN 0.499 nan 8.230 nan 0.000 0.435 1257 P HA -0.250 nan 4.420 nan 0.000 0.218 1257 P C 1.385 178.709 177.300 0.040 0.000 1.152 1257 P CA 1.864 64.978 63.100 0.023 0.000 0.857 1257 P CB -0.128 31.587 31.700 0.023 0.000 0.787 1258 R N -0.309 120.219 120.500 0.047 0.000 2.090 1258 R HA -0.040 4.300 4.340 -0.000 0.000 0.228 1258 R C 1.864 178.236 176.300 0.120 0.000 1.110 1258 R CA 1.358 57.502 56.100 0.074 0.000 0.973 1258 R CB -1.435 28.905 30.300 0.067 0.000 0.869 1258 R HN 0.010 nan 8.270 nan 0.000 0.440 1259 V N 0.892 120.879 119.914 0.121 0.000 2.515 1259 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 1259 V C 2.065 178.266 176.094 0.178 0.000 1.058 1259 V CA 1.794 64.212 62.300 0.198 0.000 1.064 1259 V CB -0.379 31.518 31.823 0.125 0.000 0.675 1259 V HN 0.299 nan 8.190 nan 0.000 0.461 1260 I N -0.652 119.961 120.570 0.072 0.000 2.333 1260 I HA -0.122 4.048 4.170 -0.000 0.000 0.246 1260 I C 2.401 178.572 176.117 0.090 0.000 1.106 1260 I CA 1.270 62.592 61.300 0.035 0.000 1.411 1260 I CB -0.442 37.546 38.000 -0.021 0.000 1.082 1260 I HN 0.250 nan 8.210 nan 0.000 0.420 1261 E N 0.775 121.027 120.200 0.087 0.000 2.150 1261 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 1261 E C 2.111 178.769 176.600 0.096 0.000 0.985 1261 E CA 0.899 57.344 56.400 0.075 0.000 0.814 1261 E CB 0.150 29.888 29.700 0.063 0.000 0.752 1261 E HN 0.243 nan 8.360 nan 0.000 0.466 1262 L N -0.514 120.800 121.223 0.153 0.000 2.068 1262 L HA -0.066 4.274 4.340 -0.000 0.000 0.204 1262 L C 1.821 178.761 176.870 0.117 0.000 1.076 1262 L CA 1.492 56.419 54.840 0.146 0.000 0.753 1262 L CB -0.596 41.569 42.059 0.176 0.000 0.910 1262 L HN 0.122 nan 8.230 nan 0.000 0.439 1263 F N -0.404 119.561 119.950 0.026 0.000 2.325 1263 F HA -0.051 4.475 4.527 -0.000 0.000 0.299 1263 F C 1.080 176.888 175.800 0.012 0.000 1.090 1263 F CA 0.398 58.409 58.000 0.018 0.000 1.392 1263 F CB -0.107 38.895 39.000 0.003 0.000 1.053 1263 F HN 0.005 nan 8.300 nan 0.000 0.521 1264 E N 0.399 120.703 120.200 0.174 0.000 2.055 1264 E HA 0.458 4.807 4.350 -0.000 0.000 0.274 1264 E C -0.300 176.323 176.600 0.039 0.000 0.949 1264 E CA -0.392 56.066 56.400 0.096 0.000 0.775 1264 E CB 0.764 30.511 29.700 0.078 0.000 1.097 1264 E HN 0.122 nan 8.360 nan 0.000 0.404 1265 A N 5.604 128.428 122.820 0.007 0.000 2.515 1265 A HA 0.045 4.365 4.320 -0.000 0.000 0.276 1265 A C -0.011 177.491 177.584 -0.136 0.000 1.104 1265 A CA 0.707 52.668 52.037 -0.126 0.000 0.822 1265 A CB -0.226 18.712 19.000 -0.104 0.000 1.016 1265 A HN 0.588 nan 8.150 nan 0.000 0.530 1266 R N 0.729 121.149 120.500 -0.134 0.000 2.831 1266 R HA 0.525 4.864 4.340 -0.000 0.000 0.266 1266 R C -0.261 176.000 176.300 -0.065 0.000 1.051 1266 R CA -1.056 55.009 56.100 -0.058 0.000 0.943 1266 R CB 1.616 31.920 30.300 0.007 0.000 1.228 1266 R HN 0.672 nan 8.270 nan 0.000 0.467 1267 R N 1.944 122.440 120.500 -0.007 0.000 2.565 1267 R HA 0.264 4.603 4.340 -0.000 0.000 0.286 1267 R C -2.207 174.099 176.300 0.010 0.000 1.256 1267 R CA -1.442 54.659 56.100 0.002 0.000 1.238 1267 R CB 0.156 30.475 30.300 0.032 0.000 1.153 1267 R HN 0.292 nan 8.270 nan 0.000 0.553 1268 P HA -0.142 nan 4.420 nan 0.000 0.270 1268 P C 0.246 177.559 177.300 0.020 0.000 1.216 1268 P CA -0.092 63.020 63.100 0.020 0.000 0.788 1268 P CB 0.706 32.423 31.700 0.028 0.000 0.883 1269 K N 1.425 121.839 120.400 0.023 0.000 1.969 1269 K HA -0.158 4.162 4.320 -0.000 0.000 0.223 1269 K C 0.546 177.157 176.600 0.018 0.000 1.048 1269 K CA 1.692 57.992 56.287 0.020 0.000 0.983 1269 K CB -0.824 31.688 32.500 0.020 0.000 0.738 1269 K HN 0.503 nan 8.250 nan 0.000 0.446 1270 A N 2.949 125.780 122.820 0.019 0.000 2.666 1270 A HA 0.100 4.420 4.320 -0.000 0.000 0.301 1270 A C -0.498 177.095 177.584 0.015 0.000 1.470 1270 A CA -0.297 51.750 52.037 0.017 0.000 1.159 1270 A CB -0.533 18.477 19.000 0.017 0.000 1.116 1270 A HN 0.476 nan 8.150 nan 0.000 0.548 1271 K N 1.283 121.689 120.400 0.010 0.000 2.237 1271 K HA 0.626 4.946 4.320 -0.000 0.000 0.270 1271 K C -0.222 176.374 176.600 -0.007 0.000 1.015 1271 K CA 0.012 56.300 56.287 0.002 0.000 0.949 1271 K CB 1.077 33.580 32.500 0.005 0.000 0.976 1271 K HN 0.458 nan 8.250 nan 0.000 0.472 1272 A N 2.608 125.414 122.820 -0.024 0.000 2.340 1272 A HA 0.317 4.637 4.320 -0.000 0.000 0.297 1272 A C -0.338 177.194 177.584 -0.087 0.000 1.195 1272 A CA -0.988 51.022 52.037 -0.044 0.000 0.769 1272 A CB 0.997 19.977 19.000 -0.033 0.000 1.163 1272 A HN 0.770 nan 8.150 nan 0.000 0.472 1273 V N 2.325 122.171 119.914 -0.114 0.000 2.434 1273 V HA 0.366 4.486 4.120 -0.000 0.000 0.281 1273 V C 0.230 176.081 176.094 -0.405 0.000 1.005 1273 V CA -0.118 62.055 62.300 -0.212 0.000 1.089 1273 V CB -1.499 30.208 31.823 -0.193 0.000 0.978 1273 V HN 0.796 nan 8.190 nan 0.000 0.474 1274 I N 3.580 123.963 120.570 -0.312 0.000 2.662 1274 I HA 0.605 4.775 4.170 -0.000 0.000 0.291 1274 I C 0.762 176.616 176.117 -0.438 0.000 1.046 1274 I CA -0.208 60.914 61.300 -0.296 0.000 1.361 1274 I CB 1.077 38.980 38.000 -0.161 0.000 1.429 1274 I HN 0.765 nan 8.210 nan 0.000 0.558 1275 S N 2.224 117.732 115.700 -0.320 0.000 2.399 1275 S HA 0.337 4.806 4.470 -0.000 0.000 0.301 1275 S C 0.478 175.064 174.600 -0.024 0.000 1.093 1275 S CA -0.543 57.541 58.200 -0.193 0.000 1.077 1275 S CB 0.408 63.506 63.200 -0.169 0.000 0.980 1275 S HN 0.755 nan 8.310 nan 0.000 0.494 1276 E N 1.832 122.099 120.200 0.111 0.000 2.268 1276 E HA 0.001 4.350 4.350 -0.000 0.000 0.195 1276 E C -0.186 176.394 176.600 -0.033 0.000 0.995 1276 E CA 0.817 57.238 56.400 0.035 0.000 0.836 1276 E CB -0.033 29.692 29.700 0.042 0.000 0.763 1276 E HN 0.632 nan 8.360 nan 0.000 0.491 1277 I N 1.189 121.710 120.570 -0.083 0.000 2.525 1277 I HA 0.098 4.268 4.170 -0.000 0.000 0.301 1277 I C -0.713 175.312 176.117 -0.154 0.000 0.992 1277 I CA -1.043 60.162 61.300 -0.158 0.000 1.162 1277 I CB 1.709 39.492 38.000 -0.362 0.000 1.332 1277 I HN -0.099 nan 8.210 nan 0.000 0.458 1278 D N 3.044 123.363 120.400 -0.136 0.000 2.460 1278 D HA 0.663 5.303 4.640 -0.000 0.000 0.232 1278 D C 0.066 176.151 176.300 -0.357 0.000 1.079 1278 D CA -0.618 53.249 54.000 -0.222 0.000 0.864 1278 D CB 1.200 41.977 40.800 -0.038 0.000 1.048 1278 D HN 0.639 nan 8.370 nan 0.000 0.523 1279 G N 0.955 109.413 108.800 -0.570 0.000 3.354 1279 G HA2 0.606 4.565 3.960 -0.000 0.000 0.174 1279 G HA3 0.606 4.565 3.960 -0.000 0.000 0.174 1279 G C -0.546 173.943 174.900 -0.684 0.000 1.140 1279 G CA -0.104 44.703 45.100 -0.488 0.000 0.897 1279 G HN 0.793 nan 8.290 nan 0.000 0.685 1280 V N -2.005 117.753 119.914 -0.261 0.000 3.113 1280 V HA 0.896 5.016 4.120 -0.000 0.000 0.316 1280 V C -0.410 175.643 176.094 -0.069 0.000 1.125 1280 V CA -1.000 61.227 62.300 -0.122 0.000 1.026 1280 V CB 1.471 33.304 31.823 0.016 0.000 1.080 1280 V HN 0.520 nan 8.190 nan 0.000 0.444 1281 V N 1.226 121.130 119.914 -0.016 0.000 2.769 1281 V HA 0.883 5.003 4.120 -0.000 0.000 0.312 1281 V C -0.170 175.955 176.094 0.051 0.000 1.058 1281 V CA -0.560 61.750 62.300 0.018 0.000 0.952 1281 V CB 1.873 33.701 31.823 0.009 0.000 1.019 1281 V HN 1.064 nan 8.190 nan 0.000 0.445 1282 R N 2.327 122.880 120.500 0.088 0.000 2.604 1282 R HA 0.701 5.041 4.340 -0.000 0.000 0.270 1282 R C -1.734 174.615 176.300 0.081 0.000 1.052 1282 R CA -0.332 55.813 56.100 0.075 0.000 0.902 1282 R CB 1.420 31.765 30.300 0.075 0.000 1.233 1282 R HN 0.674 nan 8.270 nan 0.000 0.455 1283 I N 0.957 121.548 120.570 0.035 0.000 2.957 1283 I HA 0.572 4.742 4.170 -0.000 0.000 0.310 1283 I C -0.596 175.507 176.117 -0.022 0.000 1.063 1283 I CA -1.119 60.194 61.300 0.022 0.000 1.033 1283 I CB 2.291 40.306 38.000 0.025 0.000 1.230 1283 I HN 0.505 nan 8.210 nan 0.000 0.447 1284 E N 2.508 122.689 120.200 -0.031 0.000 2.255 1284 E HA 0.237 4.587 4.350 -0.000 0.000 0.256 1284 E C -1.231 175.354 176.600 -0.024 0.000 0.887 1284 E CA -0.508 55.862 56.400 -0.050 0.000 0.782 1284 E CB 0.957 30.599 29.700 -0.097 0.000 1.214 1284 E HN 0.280 nan 8.360 nan 0.000 0.417 1285 E N 2.966 123.155 120.200 -0.018 0.000 2.392 1285 E HA 0.167 4.517 4.350 -0.000 0.000 0.264 1285 E C 0.245 176.840 176.600 -0.009 0.000 1.024 1285 E CA 0.300 56.694 56.400 -0.009 0.000 0.903 1285 E CB 0.425 30.120 29.700 -0.008 0.000 0.963 1285 E HN 0.801 nan 8.360 nan 0.000 0.432 1286 T N 2.144 116.696 114.554 -0.003 0.000 0.542 1286 T HA -0.266 4.083 4.350 -0.000 0.000 0.774 1286 T C 0.076 174.774 174.700 -0.003 0.000 0.992 1286 T CA 0.724 62.823 62.100 -0.002 0.000 4.076 1286 T CB -0.410 68.457 68.868 -0.003 0.000 2.303 1286 T HN 0.695 nan 8.240 nan 0.000 0.398 1287 E N 0.166 120.364 120.200 -0.003 0.000 2.434 1287 E HA -0.149 4.201 4.350 -0.000 0.000 0.296 1287 E C 0.572 177.172 176.600 0.000 0.000 1.020 1287 E CA 1.234 57.632 56.400 -0.004 0.000 0.869 1287 E CB -1.814 27.880 29.700 -0.009 0.000 1.351 1287 E HN 0.916 nan 8.360 nan 0.000 0.402 1288 E N -0.792 119.410 120.200 0.003 0.000 3.562 1288 E HA -0.309 4.041 4.350 -0.000 0.000 0.298 1288 E C -0.649 175.956 176.600 0.009 0.000 0.830 1288 E CA 2.173 58.576 56.400 0.005 0.000 1.013 1288 E CB -0.146 29.556 29.700 0.004 0.000 1.510 1288 E HN 0.429 nan 8.360 nan 0.000 0.463 1289 K N -0.853 119.553 120.400 0.010 0.000 2.610 1289 K HA 0.444 4.764 4.320 -0.000 0.000 0.267 1289 K C -1.583 175.027 176.600 0.017 0.000 0.943 1289 K CA -0.632 55.665 56.287 0.017 0.000 0.862 1289 K CB 1.290 33.802 32.500 0.020 0.000 1.376 1289 K HN -0.077 nan 8.250 nan 0.000 0.412 1290 L N 0.996 122.235 121.223 0.027 0.000 2.303 1290 L HA 0.753 5.093 4.340 -0.000 0.000 0.266 1290 L C -0.648 176.254 176.870 0.053 0.000 1.011 1290 L CA -0.314 54.543 54.840 0.028 0.000 0.818 1290 L CB 2.181 44.256 42.059 0.026 0.000 1.326 1290 L HN 0.812 nan 8.230 nan 0.000 0.435 1291 S N -0.456 115.281 115.700 0.062 0.000 2.614 1291 S HA 0.738 5.208 4.470 -0.000 0.000 0.275 1291 S C -1.143 173.564 174.600 0.178 0.000 1.161 1291 S CA -0.782 57.498 58.200 0.133 0.000 0.969 1291 S CB 1.308 64.584 63.200 0.127 0.000 1.059 1291 S HN 0.205 nan 8.310 nan 0.000 0.482 1292 V N 3.574 123.634 119.914 0.243 0.000 2.407 1292 V HA 0.549 4.668 4.120 -0.000 0.000 0.278 1292 V C -1.162 175.166 176.094 0.389 0.000 1.037 1292 V CA -0.352 62.086 62.300 0.230 0.000 0.900 1292 V CB 0.612 32.510 31.823 0.125 0.000 0.983 1292 V HN 0.856 nan 8.190 nan 0.000 0.459 1293 F N 3.840 123.810 119.950 0.034 0.000 2.445 1293 F HA 0.474 5.001 4.527 -0.001 0.000 0.348 1293 F C 0.088 175.882 175.800 -0.010 0.000 1.125 1293 F CA -0.803 57.208 58.000 0.018 0.000 0.983 1293 F CB 1.965 40.962 39.000 -0.005 0.000 1.198 1293 F HN 0.205 nan 8.300 nan 0.000 0.436 1294 V N 5.561 125.434 119.914 -0.068 0.000 2.338 1294 V HA 0.247 4.367 4.120 -0.000 0.000 0.255 1294 V C -0.051 175.947 176.094 -0.161 0.000 1.082 1294 V CA -0.260 61.971 62.300 -0.114 0.000 0.951 1294 V CB -0.022 31.710 31.823 -0.150 0.000 1.102 1294 V HN 0.618 nan 8.190 nan 0.000 0.489 1295 E N 3.925 124.095 120.200 -0.050 0.000 2.312 1295 E HA 0.758 5.108 4.350 -0.000 0.000 0.267 1295 E C -0.706 175.903 176.600 0.016 0.000 0.894 1295 E CA -0.688 55.707 56.400 -0.008 0.000 0.773 1295 E CB 2.496 32.266 29.700 0.117 0.000 1.241 1295 E HN 0.295 nan 8.360 nan 0.000 0.432 1296 S N 1.388 117.128 115.700 0.067 0.000 5.444 1296 S HA -0.012 4.458 4.470 -0.000 0.000 0.141 1296 S C 1.185 175.857 174.600 0.120 0.000 1.258 1296 S CA 0.203 58.456 58.200 0.089 0.000 1.126 1296 S CB -0.375 62.871 63.200 0.077 0.000 2.053 1296 S HN 0.646 nan 8.310 nan 0.000 0.692 1297 E N 1.158 121.449 120.200 0.151 0.000 2.051 1297 E HA 0.078 4.428 4.350 -0.000 0.000 0.192 1297 E C 1.314 177.973 176.600 0.098 0.000 0.991 1297 E CA 1.583 58.050 56.400 0.112 0.000 0.799 1297 E CB -0.219 29.536 29.700 0.091 0.000 0.748 1297 E HN 0.583 nan 8.360 nan 0.000 0.449 1298 G N 0.479 109.379 108.800 0.166 0.000 3.163 1298 G HA2 0.167 4.127 3.960 -0.000 0.000 0.152 1298 G HA3 0.167 4.127 3.960 -0.000 0.000 0.152 1298 G C 0.050 175.095 174.900 0.241 0.000 1.379 1298 G CA -0.041 45.130 45.100 0.118 0.000 0.789 1298 G HN 0.330 nan 8.290 nan 0.000 0.960 1299 F N 1.402 121.350 119.950 -0.003 0.000 2.593 1299 F HA 0.815 5.342 4.527 -0.001 0.000 0.320 1299 F C -0.415 175.362 175.800 -0.037 0.000 1.060 1299 F CA -1.262 56.728 58.000 -0.016 0.000 0.940 1299 F CB 2.220 41.198 39.000 -0.037 0.000 1.268 1299 F HN 0.044 nan 8.300 nan 0.000 0.475 1300 S N 1.422 117.061 115.700 -0.102 0.000 2.532 1300 S HA 0.405 4.875 4.470 -0.000 0.000 0.299 1300 S C -1.069 173.142 174.600 -0.648 0.000 1.105 1300 S CA -0.986 57.004 58.200 -0.351 0.000 1.018 1300 S CB 1.818 64.969 63.200 -0.081 0.000 1.021 1300 S HN 0.679 nan 8.310 nan 0.000 0.483 1301 K N 2.261 122.238 120.400 -0.705 0.000 2.220 1301 K HA 0.201 4.521 4.320 -0.000 0.000 0.283 1301 K C -0.101 175.933 176.600 -0.944 0.000 1.098 1301 K CA -0.375 55.490 56.287 -0.704 0.000 0.928 1301 K CB -0.128 32.084 32.500 -0.480 0.000 1.214 1301 K HN 0.803 nan 8.250 nan 0.000 0.442 1302 E N 3.640 123.247 120.200 -0.988 0.000 2.406 1302 E HA -0.062 4.288 4.350 -0.000 0.000 0.258 1302 E C -1.212 175.019 176.600 -0.614 0.000 1.043 1302 E CA 0.418 56.316 56.400 -0.836 0.000 0.929 1302 E CB 0.172 29.691 29.700 -0.301 0.000 0.969 1302 E HN 0.485 nan 8.360 nan 0.000 0.462 1303 Y N 4.251 124.476 120.300 -0.125 0.000 2.338 1303 Y HA 0.217 4.767 4.550 -0.000 0.000 0.328 1303 Y C -0.250 175.678 175.900 0.045 0.000 0.965 1303 Y CA -1.066 57.009 58.100 -0.040 0.000 1.208 1303 Y CB 1.441 39.863 38.460 -0.063 0.000 1.132 1303 Y HN 0.329 nan 8.280 nan 0.000 0.469 1304 K N 5.582 126.079 120.400 0.162 0.000 2.278 1304 K HA 0.258 4.578 4.320 -0.000 0.000 0.289 1304 K C -0.812 175.856 176.600 0.113 0.000 1.080 1304 K CA -0.054 56.305 56.287 0.120 0.000 0.934 1304 K CB 0.612 33.155 32.500 0.073 0.000 1.093 1304 K HN 0.572 nan 8.250 nan 0.000 0.459 1305 L N 5.427 126.710 121.223 0.100 0.000 2.314 1305 L HA 0.251 4.591 4.340 -0.000 0.000 0.275 1305 L C -2.195 174.704 176.870 0.048 0.000 1.068 1305 L CA -1.987 52.895 54.840 0.069 0.000 0.894 1305 L CB 0.343 42.439 42.059 0.062 0.000 1.275 1305 L HN 0.239 nan 8.230 nan 0.000 0.432 1306 P HA -0.152 nan 4.420 nan 0.000 0.270 1306 P C 0.450 177.764 177.300 0.024 0.000 1.181 1306 P CA 0.504 63.622 63.100 0.030 0.000 0.767 1306 P CB 0.518 32.234 31.700 0.026 0.000 0.799 1307 K N 1.165 121.576 120.400 0.019 0.000 2.585 1307 K HA -0.133 4.186 4.320 -0.000 0.000 0.194 1307 K C 0.591 177.198 176.600 0.013 0.000 1.037 1307 K CA 1.390 57.686 56.287 0.015 0.000 0.964 1307 K CB -0.232 32.275 32.500 0.012 0.000 0.787 1307 K HN 0.459 nan 8.250 nan 0.000 0.488 1308 E N 0.288 120.496 120.200 0.014 0.000 2.603 1308 E HA 0.205 4.555 4.350 -0.000 0.000 0.211 1308 E C -0.445 176.163 176.600 0.013 0.000 0.995 1308 E CA -0.349 56.058 56.400 0.012 0.000 0.990 1308 E CB 1.000 30.706 29.700 0.011 0.000 1.036 1308 E HN 0.365 nan 8.360 nan 0.000 0.475 1309 A N 0.887 123.716 122.820 0.015 0.000 2.256 1309 A HA 0.706 5.025 4.320 -0.000 0.000 0.318 1309 A C -0.184 177.407 177.584 0.012 0.000 1.103 1309 A CA -0.564 51.481 52.037 0.014 0.000 0.860 1309 A CB 0.777 19.787 19.000 0.017 0.000 1.182 1309 A HN -0.008 nan 8.150 nan 0.000 0.501 1310 R N 0.643 121.148 120.500 0.009 0.000 2.473 1310 R HA 0.394 4.734 4.340 -0.000 0.000 0.303 1310 R C -1.554 174.748 176.300 0.004 0.000 1.002 1310 R CA -0.257 55.848 56.100 0.008 0.000 0.884 1310 R CB 0.781 31.086 30.300 0.008 0.000 1.173 1310 R HN 0.721 nan 8.270 nan 0.000 0.464 1311 L N 0.759 121.985 121.223 0.005 0.000 2.317 1311 L HA 0.615 4.954 4.340 -0.000 0.000 0.281 1311 L C 0.698 177.570 176.870 0.002 0.000 1.024 1311 L CA -0.690 54.150 54.840 -0.000 0.000 0.810 1311 L CB 1.475 43.537 42.059 0.004 0.000 1.240 1311 L HN 0.425 nan 8.230 nan 0.000 0.427 1312 L N 2.557 123.779 121.223 -0.001 0.000 2.858 1312 L HA 0.319 4.658 4.340 -0.000 0.000 0.251 1312 L C 0.258 177.130 176.870 0.004 0.000 1.149 1312 L CA -0.011 54.831 54.840 0.003 0.000 0.955 1312 L CB 1.553 43.615 42.059 0.005 0.000 1.289 1312 L HN 0.558 nan 8.230 nan 0.000 0.542 1313 V N 2.281 122.194 119.914 -0.001 0.000 2.509 1313 V HA 0.284 4.403 4.120 -0.000 0.000 0.284 1313 V C -0.064 176.036 176.094 0.010 0.000 1.047 1313 V CA -0.494 61.807 62.300 0.002 0.000 0.952 1313 V CB 1.312 33.129 31.823 -0.011 0.000 0.988 1313 V HN 0.184 nan 8.190 nan 0.000 0.469 1314 K N 3.578 123.987 120.400 0.016 0.000 2.245 1314 K HA 0.490 4.810 4.320 -0.000 0.000 0.234 1314 K C -0.758 175.857 176.600 0.024 0.000 1.021 1314 K CA -0.771 55.528 56.287 0.019 0.000 0.898 1314 K CB 0.900 33.410 32.500 0.017 0.000 1.163 1314 K HN 0.594 nan 8.250 nan 0.000 0.459 1315 D N 0.279 120.694 120.400 0.024 0.000 2.383 1315 D HA 0.256 4.895 4.640 -0.000 0.000 0.275 1315 D C 0.758 177.074 176.300 0.027 0.000 1.344 1315 D CA 1.458 55.473 54.000 0.026 0.000 0.984 1315 D CB 0.064 40.875 40.800 0.018 0.000 1.104 1315 D HN 0.846 nan 8.370 nan 0.000 0.524 1316 G N 2.398 111.218 108.800 0.033 0.000 3.154 1316 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.114 1316 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.114 1316 G C -0.354 174.575 174.900 0.048 0.000 2.421 1316 G CA -0.590 44.532 45.100 0.037 0.000 1.271 1316 G HN 0.492 nan 8.290 nan 0.000 0.371 1317 D N 0.033 120.465 120.400 0.053 0.000 2.348 1317 D HA 0.490 5.130 4.640 -0.000 0.000 0.249 1317 D C -0.049 176.310 176.300 0.098 0.000 1.110 1317 D CA -0.491 53.560 54.000 0.084 0.000 0.967 1317 D CB 1.014 41.863 40.800 0.081 0.000 1.139 1317 D HN 0.123 nan 8.370 nan 0.000 0.466 1318 Y N 0.698 121.005 120.300 0.010 0.000 2.861 1318 Y HA 0.053 4.603 4.550 -0.000 0.000 0.344 1318 Y C 0.042 175.942 175.900 0.001 0.000 1.272 1318 Y CA 0.617 58.721 58.100 0.007 0.000 1.502 1318 Y CB 0.369 38.834 38.460 0.007 0.000 1.333 1318 Y HN 0.064 nan 8.280 nan 0.000 0.634 1319 V N 2.589 122.264 119.914 -0.398 0.000 2.624 1319 V HA 0.377 4.497 4.120 -0.000 0.000 0.294 1319 V C -0.694 175.250 176.094 -0.250 0.000 1.077 1319 V CA -1.243 60.951 62.300 -0.177 0.000 0.905 1319 V CB 1.122 32.849 31.823 -0.160 0.000 1.025 1319 V HN 0.772 nan 8.190 nan 0.000 0.440 1320 E N 2.908 123.153 120.200 0.075 0.000 2.409 1320 E HA 0.625 4.975 4.350 -0.000 0.000 0.257 1320 E C 0.835 177.438 176.600 0.005 0.000 1.150 1320 E CA 0.490 56.967 56.400 0.129 0.000 0.942 1320 E CB 1.080 30.890 29.700 0.183 0.000 0.979 1320 E HN 1.231 nan 8.360 nan 0.000 0.447 1321 A N 1.418 124.247 122.820 0.014 0.000 2.511 1321 A HA 0.406 4.726 4.320 -0.000 0.000 0.242 1321 A C 1.039 178.613 177.584 -0.016 0.000 1.069 1321 A CA 0.519 52.547 52.037 -0.014 0.000 0.763 1321 A CB -0.575 18.426 19.000 0.003 0.000 1.001 1321 A HN 0.923 nan 8.150 nan 0.000 0.498 1322 G N 0.651 109.426 108.800 -0.043 0.000 2.176 1322 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 1322 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 1322 G C 0.149 175.018 174.900 -0.051 0.000 1.024 1322 G CA 0.622 45.689 45.100 -0.056 0.000 0.755 1322 G HN 1.284 nan 8.290 nan 0.000 0.507 1323 Q N 0.132 119.897 119.800 -0.059 0.000 2.241 1323 Q HA 0.556 4.895 4.340 -0.000 0.000 0.254 1323 Q C -2.499 173.453 176.000 -0.078 0.000 0.917 1323 Q CA -2.378 53.401 55.803 -0.040 0.000 0.919 1323 Q CB 1.567 30.292 28.738 -0.021 0.000 1.237 1323 Q HN 0.107 nan 8.270 nan 0.000 0.434 1324 P HA -0.090 nan 4.420 nan 0.000 0.256 1324 P C -0.368 176.880 177.300 -0.086 0.000 1.189 1324 P CA 0.272 63.337 63.100 -0.059 0.000 0.808 1324 P CB 0.420 32.116 31.700 -0.006 0.000 0.793 1325 L N 2.975 124.107 121.223 -0.153 0.000 2.354 1325 L HA 0.122 4.462 4.340 -0.000 0.000 0.212 1325 L C 1.099 177.906 176.870 -0.105 0.000 1.091 1325 L CA 1.644 56.388 54.840 -0.161 0.000 0.828 1325 L CB -0.314 41.559 42.059 -0.310 0.000 0.973 1325 L HN 0.250 nan 8.230 nan 0.000 0.461 1326 T N -1.311 113.184 114.554 -0.097 0.000 2.889 1326 T HA 0.483 4.833 4.350 -0.000 0.000 0.278 1326 T C -0.426 174.256 174.700 -0.030 0.000 0.995 1326 T CA -0.541 61.529 62.100 -0.052 0.000 0.966 1326 T CB 2.034 70.873 68.868 -0.048 0.000 1.237 1326 T HN -0.047 nan 8.240 nan 0.000 0.591 1327 R N -0.810 119.683 120.500 -0.012 0.000 2.637 1327 R HA 0.673 5.013 4.340 -0.000 0.000 0.291 1327 R C 0.164 176.469 176.300 0.008 0.000 0.963 1327 R CA 0.523 56.623 56.100 0.001 0.000 0.901 1327 R CB 0.932 31.235 30.300 0.005 0.000 1.160 1327 R HN 0.957 nan 8.270 nan 0.000 0.457 1328 G N 1.574 110.385 108.800 0.019 0.000 2.250 1328 G HA2 0.211 4.171 3.960 -0.000 0.000 0.196 1328 G HA3 0.211 4.171 3.960 -0.000 0.000 0.196 1328 G C -1.021 173.909 174.900 0.049 0.000 1.308 1328 G CA -0.420 44.697 45.100 0.029 0.000 1.207 1328 G HN 0.897 nan 8.290 nan 0.000 0.505 1329 A N -0.608 122.244 122.820 0.052 0.000 2.272 1329 A HA 0.802 5.122 4.320 -0.000 0.000 0.275 1329 A C -0.202 177.416 177.584 0.056 0.000 1.096 1329 A CA 0.242 52.330 52.037 0.084 0.000 0.822 1329 A CB 0.431 19.474 19.000 0.071 0.000 1.088 1329 A HN 1.268 nan 8.150 nan 0.000 0.495 1330 I N -0.292 120.315 120.570 0.061 0.000 2.846 1330 I HA 0.350 4.520 4.170 -0.000 0.000 0.307 1330 I C -0.559 175.467 176.117 -0.152 0.000 1.053 1330 I CA -0.378 60.865 61.300 -0.095 0.000 1.050 1330 I CB 1.965 39.802 38.000 -0.271 0.000 1.239 1330 I HN 0.562 nan 8.210 nan 0.000 0.439 1331 D N 4.456 124.752 120.400 -0.173 0.000 2.427 1331 D HA 0.370 5.010 4.640 -0.000 0.000 0.226 1331 D C -2.017 174.148 176.300 -0.224 0.000 1.076 1331 D CA -2.273 51.630 54.000 -0.161 0.000 0.849 1331 D CB 1.836 42.590 40.800 -0.075 0.000 1.052 1331 D HN 0.093 nan 8.370 nan 0.000 0.515 1332 P HA -0.245 nan 4.420 nan 0.000 0.217 1332 P C 1.120 178.339 177.300 -0.135 0.000 1.162 1332 P CA 1.465 64.400 63.100 -0.274 0.000 0.901 1332 P CB 0.116 31.637 31.700 -0.299 0.000 0.793 1333 H N -0.342 118.697 119.070 -0.053 0.000 2.265 1333 H HA -0.167 4.389 4.556 -0.000 0.000 0.295 1333 H C 2.085 177.391 175.328 -0.036 0.000 1.084 1333 H CA 1.679 57.710 56.048 -0.029 0.000 1.261 1333 H CB -1.139 28.614 29.762 -0.015 0.000 1.360 1333 H HN 0.329 nan 8.280 nan 0.000 0.487 1334 Q N -0.142 119.709 119.800 0.085 0.000 2.030 1334 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 1334 Q C 2.485 178.476 176.000 -0.016 0.000 0.986 1334 Q CA 1.309 57.128 55.803 0.027 0.000 0.843 1334 Q CB -0.327 28.415 28.738 0.006 0.000 0.904 1334 Q HN 0.176 nan 8.270 nan 0.000 0.420 1335 L N 0.988 122.166 121.223 -0.076 0.000 2.187 1335 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 1335 L C 2.000 178.837 176.870 -0.055 0.000 1.100 1335 L CA 1.313 56.088 54.840 -0.108 0.000 0.765 1335 L CB -0.525 41.391 42.059 -0.239 0.000 0.904 1335 L HN 0.269 nan 8.230 nan 0.000 0.437 1336 L N -1.108 120.101 121.223 -0.022 0.000 2.072 1336 L HA -0.103 4.236 4.340 -0.000 0.000 0.205 1336 L C 2.304 179.186 176.870 0.019 0.000 1.079 1336 L CA 1.548 56.396 54.840 0.013 0.000 0.752 1336 L CB -0.528 41.562 42.059 0.052 0.000 0.906 1336 L HN 0.199 nan 8.230 nan 0.000 0.436 1337 E N 0.078 120.290 120.200 0.020 0.000 2.028 1337 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 1337 E C 2.103 178.708 176.600 0.008 0.000 0.988 1337 E CA 1.579 57.989 56.400 0.016 0.000 0.799 1337 E CB -0.499 29.212 29.700 0.018 0.000 0.755 1337 E HN 0.611 nan 8.360 nan 0.000 0.447 1338 A N 0.719 123.541 122.820 0.002 0.000 1.824 1338 A HA -0.224 4.095 4.320 -0.000 0.000 0.215 1338 A C 2.166 179.751 177.584 0.000 0.000 1.209 1338 A CA 2.067 54.103 52.037 -0.001 0.000 0.614 1338 A CB -0.665 18.329 19.000 -0.011 0.000 0.852 1338 A HN 0.161 nan 8.150 nan 0.000 0.447 1339 K N -1.906 118.491 120.400 -0.004 0.000 1.991 1339 K HA 0.275 4.595 4.320 -0.000 0.000 0.207 1339 K C 0.867 177.473 176.600 0.010 0.000 1.045 1339 K CA 1.060 57.350 56.287 0.005 0.000 0.937 1339 K CB -0.120 32.382 32.500 0.004 0.000 0.720 1339 K HN 0.854 nan 8.250 nan 0.000 0.438 1340 G N -1.924 106.882 108.800 0.009 0.000 2.359 1340 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.303 1340 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.303 1340 G C -2.650 172.263 174.900 0.022 0.000 1.293 1340 G CA -0.629 44.481 45.100 0.017 0.000 0.964 1340 G HN -0.093 nan 8.290 nan 0.000 0.531 1341 P HA 0.088 nan 4.420 nan 0.000 0.214 1341 P C 1.454 178.773 177.300 0.031 0.000 1.162 1341 P CA 1.550 64.674 63.100 0.041 0.000 0.874 1341 P CB 0.104 31.840 31.700 0.060 0.000 0.784 1342 E N -0.771 119.442 120.200 0.022 0.000 2.333 1342 E HA -0.156 4.194 4.350 -0.000 0.000 0.200 1342 E C 1.813 178.423 176.600 0.017 0.000 1.010 1342 E CA 1.247 57.652 56.400 0.008 0.000 0.841 1342 E CB -0.515 29.178 29.700 -0.011 0.000 0.757 1342 E HN 0.193 nan 8.360 nan 0.000 0.508 1343 A N -0.333 122.503 122.820 0.027 0.000 1.924 1343 A HA -0.003 4.317 4.320 -0.000 0.000 0.211 1343 A C 2.287 179.916 177.584 0.075 0.000 1.198 1343 A CA 0.383 52.448 52.037 0.046 0.000 0.657 1343 A CB -0.165 18.856 19.000 0.036 0.000 0.852 1343 A HN 0.121 nan 8.150 nan 0.000 0.454 1344 V N 0.406 120.348 119.914 0.047 0.000 2.255 1344 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 1344 V C 2.367 178.513 176.094 0.087 0.000 1.051 1344 V CA 2.427 64.755 62.300 0.047 0.000 1.018 1344 V CB -1.077 30.756 31.823 0.018 0.000 0.641 1344 V HN 0.621 nan 8.190 nan 0.000 0.445 1345 E N -0.050 120.180 120.200 0.049 0.000 2.033 1345 E HA -0.316 4.034 4.350 -0.000 0.000 0.199 1345 E C 2.444 179.063 176.600 0.030 0.000 1.011 1345 E CA 1.861 58.277 56.400 0.026 0.000 0.815 1345 E CB -0.216 29.492 29.700 0.013 0.000 0.755 1345 E HN 0.289 nan 8.360 nan 0.000 0.451 1346 R N -0.130 120.391 120.500 0.036 0.000 2.127 1346 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 1346 R C 1.984 178.304 176.300 0.033 0.000 1.134 1346 R CA 1.376 57.489 56.100 0.022 0.000 0.975 1346 R CB -0.721 29.591 30.300 0.021 0.000 0.865 1346 R HN 0.344 nan 8.270 nan 0.000 0.447 1347 Y N -0.208 120.074 120.300 -0.029 0.000 2.109 1347 Y HA -0.188 4.362 4.550 -0.000 0.000 0.285 1347 Y C 1.568 177.445 175.900 -0.038 0.000 1.131 1347 Y CA 1.728 59.811 58.100 -0.028 0.000 1.121 1347 Y CB -0.420 38.023 38.460 -0.028 0.000 0.987 1347 Y HN 0.008 nan 8.280 nan 0.000 0.495 1348 L N -0.284 121.049 121.223 0.183 0.000 1.963 1348 L HA -0.283 4.057 4.340 -0.000 0.000 0.220 1348 L C 2.525 179.339 176.870 -0.094 0.000 1.076 1348 L CA 1.806 56.673 54.840 0.044 0.000 0.772 1348 L CB -1.596 40.454 42.059 -0.016 0.000 0.892 1348 L HN 0.186 nan 8.230 nan 0.000 0.435 1349 V N -0.389 119.473 119.914 -0.086 0.000 2.218 1349 V HA -0.386 3.734 4.120 -0.000 0.000 0.251 1349 V C 2.641 178.676 176.094 -0.098 0.000 1.057 1349 V CA 2.274 64.521 62.300 -0.089 0.000 1.022 1349 V CB -0.632 31.154 31.823 -0.061 0.000 0.645 1349 V HN 0.531 nan 8.190 nan 0.000 0.451 1350 E N 0.274 120.401 120.200 -0.122 0.000 2.058 1350 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 1350 E C 2.060 178.557 176.600 -0.171 0.000 0.997 1350 E CA 1.843 58.161 56.400 -0.136 0.000 0.801 1350 E CB -0.446 29.165 29.700 -0.148 0.000 0.746 1350 E HN 0.572 nan 8.360 nan 0.000 0.450 1351 E N -0.404 119.610 120.200 -0.309 0.000 2.267 1351 E HA -0.124 4.226 4.350 -0.000 0.000 0.197 1351 E C 1.734 178.284 176.600 -0.084 0.000 0.998 1351 E CA 0.826 57.045 56.400 -0.302 0.000 0.830 1351 E CB -0.182 29.153 29.700 -0.608 0.000 0.751 1351 E HN 0.329 nan 8.360 nan 0.000 0.491 1352 I N 0.321 120.868 120.570 -0.038 0.000 2.206 1352 I HA -0.185 3.985 4.170 -0.000 0.000 0.239 1352 I C 2.153 178.341 176.117 0.119 0.000 1.078 1352 I CA 1.024 62.374 61.300 0.084 0.000 1.367 1352 I CB -1.140 36.893 38.000 0.055 0.000 1.078 1352 I HN 0.229 nan 8.210 nan 0.000 0.413 1353 Q N 0.992 120.804 119.800 0.020 0.000 2.133 1353 Q HA -0.241 4.099 4.340 -0.000 0.000 0.208 1353 Q C 2.103 178.165 176.000 0.104 0.000 0.991 1353 Q CA 1.357 57.178 55.803 0.030 0.000 0.867 1353 Q CB -0.434 28.291 28.738 -0.022 0.000 0.911 1353 Q HN 0.394 nan 8.270 nan 0.000 0.417 1354 K N 0.061 120.491 120.400 0.049 0.000 2.127 1354 K HA -0.178 4.142 4.320 -0.000 0.000 0.212 1354 K C 2.150 178.799 176.600 0.081 0.000 1.050 1354 K CA 1.693 58.003 56.287 0.039 0.000 0.929 1354 K CB -0.629 31.867 32.500 -0.006 0.000 0.715 1354 K HN 0.207 nan 8.250 nan 0.000 0.457 1355 V N -0.666 119.333 119.914 0.142 0.000 2.346 1355 V HA -0.201 3.919 4.120 -0.000 0.000 0.244 1355 V C 2.152 178.294 176.094 0.080 0.000 1.037 1355 V CA 1.426 63.785 62.300 0.099 0.000 1.029 1355 V CB -0.991 30.878 31.823 0.078 0.000 0.663 1355 V HN 0.077 nan 8.190 nan 0.000 0.454 1356 Y N 1.289 121.599 120.300 0.018 0.000 2.224 1356 Y HA -0.124 4.426 4.550 -0.001 0.000 0.289 1356 Y C 2.772 178.676 175.900 0.008 0.000 1.146 1356 Y CA 1.340 59.450 58.100 0.017 0.000 1.182 1356 Y CB -0.690 37.788 38.460 0.029 0.000 0.983 1356 Y HN 0.128 nan 8.280 nan 0.000 0.524 1357 R N -0.016 120.588 120.500 0.173 0.000 2.080 1357 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 1357 R C 2.426 178.755 176.300 0.048 0.000 1.137 1357 R CA 1.482 57.633 56.100 0.084 0.000 0.943 1357 R CB -0.887 29.445 30.300 0.053 0.000 0.846 1357 R HN 0.293 nan 8.270 nan 0.000 0.431 1358 A N 0.777 123.619 122.820 0.037 0.000 2.225 1358 A HA -0.108 4.212 4.320 -0.000 0.000 0.215 1358 A C 1.490 179.074 177.584 -0.001 0.000 1.164 1358 A CA 1.027 53.072 52.037 0.014 0.000 0.710 1358 A CB 0.013 19.018 19.000 0.009 0.000 0.780 1358 A HN 0.260 nan 8.150 nan 0.000 0.473 1359 Q N -1.840 117.957 119.800 -0.005 0.000 2.179 1359 Q HA 0.242 4.581 4.340 -0.000 0.000 0.213 1359 Q C 1.223 177.220 176.000 -0.006 0.000 0.833 1359 Q CA 0.564 56.349 55.803 -0.030 0.000 0.990 1359 Q CB 0.704 29.384 28.738 -0.098 0.000 1.132 1359 Q HN 0.833 nan 8.270 nan 0.000 0.493 1360 G N 0.588 109.397 108.800 0.016 0.000 2.320 1360 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.242 1360 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.242 1360 G C 0.476 175.400 174.900 0.040 0.000 1.033 1360 G CA 0.249 45.362 45.100 0.022 0.000 0.620 1360 G HN 0.268 nan 8.290 nan 0.000 0.517 1361 V N 1.750 121.704 119.914 0.066 0.000 2.617 1361 V HA 0.264 4.384 4.120 -0.000 0.000 0.304 1361 V C 0.741 176.902 176.094 0.112 0.000 1.040 1361 V CA 1.059 63.428 62.300 0.116 0.000 1.149 1361 V CB 1.151 33.111 31.823 0.229 0.000 0.914 1361 V HN 0.365 nan 8.190 nan 0.000 0.487 1362 K N 6.418 126.862 120.400 0.072 0.000 2.484 1362 K HA 0.466 4.785 4.320 -0.000 0.000 0.226 1362 K C -0.708 175.916 176.600 0.041 0.000 1.031 1362 K CA -0.351 55.956 56.287 0.034 0.000 1.026 1362 K CB 0.950 33.441 32.500 -0.016 0.000 1.412 1362 K HN 0.657 nan 8.250 nan 0.000 0.492 1363 L N -1.068 120.189 121.223 0.056 0.000 2.329 1363 L HA 0.545 4.884 4.340 -0.000 0.000 0.279 1363 L C 0.135 177.065 176.870 0.099 0.000 1.014 1363 L CA -0.960 53.939 54.840 0.097 0.000 0.814 1363 L CB 1.158 43.264 42.059 0.077 0.000 1.257 1363 L HN 0.383 nan 8.230 nan 0.000 0.424 1364 H N 2.090 121.207 119.070 0.079 0.000 2.897 1364 H HA 0.011 4.567 4.556 -0.001 0.000 0.347 1364 H C -0.097 175.184 175.328 -0.079 0.000 1.068 1364 H CA 0.753 56.791 56.048 -0.018 0.000 1.426 1364 H CB 1.293 31.008 29.762 -0.078 0.000 1.410 1364 H HN 0.889 nan 8.280 nan 0.000 0.597 1365 D N 4.024 124.517 120.400 0.156 0.000 2.178 1365 D HA -0.136 4.503 4.640 -0.000 0.000 0.201 1365 D C 1.899 178.240 176.300 0.067 0.000 0.980 1365 D CA 1.214 55.269 54.000 0.090 0.000 0.842 1365 D CB 0.232 41.039 40.800 0.012 0.000 0.948 1365 D HN 0.540 nan 8.370 nan 0.000 0.472 1366 K N -0.074 120.362 120.400 0.060 0.000 2.056 1366 K HA -0.290 4.030 4.320 -0.000 0.000 0.225 1366 K C 2.040 178.502 176.600 -0.231 0.000 1.053 1366 K CA 1.874 57.908 56.287 -0.422 0.000 0.966 1366 K CB -0.431 31.373 32.500 -1.160 0.000 0.735 1366 K HN 0.414 nan 8.250 nan 0.000 0.455 1367 H N 0.215 119.300 119.070 0.026 0.000 2.319 1367 H HA -0.123 4.433 4.556 -0.001 0.000 0.299 1367 H C 2.198 177.570 175.328 0.074 0.000 1.092 1367 H CA 1.333 57.429 56.048 0.081 0.000 1.302 1367 H CB -0.373 29.443 29.762 0.089 0.000 1.373 1367 H HN 0.206 nan 8.280 nan 0.000 0.497 1368 I N 1.391 122.050 120.570 0.148 0.000 2.454 1368 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 1368 I C 2.077 178.201 176.117 0.013 0.000 1.156 1368 I CA 0.827 62.174 61.300 0.078 0.000 1.433 1368 I CB -0.857 37.145 38.000 0.003 0.000 1.082 1368 I HN 0.307 nan 8.210 nan 0.000 0.432 1369 E N 1.174 121.383 120.200 0.015 0.000 2.015 1369 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 1369 E C 2.327 178.945 176.600 0.029 0.000 0.991 1369 E CA 1.089 57.487 56.400 -0.003 0.000 0.802 1369 E CB -0.157 29.530 29.700 -0.022 0.000 0.759 1369 E HN 0.356 nan 8.360 nan 0.000 0.447 1370 I N 1.162 121.776 120.570 0.074 0.000 2.113 1370 I HA -0.368 3.802 4.170 -0.000 0.000 0.242 1370 I C 2.416 178.592 176.117 0.099 0.000 1.057 1370 I CA 1.192 62.559 61.300 0.113 0.000 1.314 1370 I CB -0.771 37.342 38.000 0.189 0.000 1.022 1370 I HN -0.002 nan 8.210 nan 0.000 0.408 1371 V N 0.296 120.280 119.914 0.116 0.000 2.214 1371 V HA -0.297 3.822 4.120 -0.000 0.000 0.244 1371 V C 2.363 178.475 176.094 0.031 0.000 1.045 1371 V CA 2.076 64.448 62.300 0.120 0.000 0.993 1371 V CB -0.716 31.241 31.823 0.224 0.000 0.633 1371 V HN 0.377 nan 8.190 nan 0.000 0.449 1372 V N 0.793 120.664 119.914 -0.073 0.000 2.357 1372 V HA -0.409 3.711 4.120 -0.000 0.000 0.257 1372 V C 2.738 178.819 176.094 -0.021 0.000 1.082 1372 V CA 3.022 65.257 62.300 -0.108 0.000 1.078 1372 V CB -0.668 31.073 31.823 -0.137 0.000 0.663 1372 V HN 0.662 nan 8.190 nan 0.000 0.455 1373 R N -0.842 119.662 120.500 0.006 0.000 2.083 1373 R HA -0.217 4.122 4.340 -0.000 0.000 0.237 1373 R C 2.235 178.556 176.300 0.035 0.000 1.137 1373 R CA 2.099 58.211 56.100 0.019 0.000 0.951 1373 R CB -0.397 29.918 30.300 0.024 0.000 0.851 1373 R HN 0.541 nan 8.270 nan 0.000 0.434 1374 Q N 0.211 120.044 119.800 0.056 0.000 2.291 1374 Q HA -0.126 4.213 4.340 -0.000 0.000 0.206 1374 Q C 1.927 178.007 176.000 0.133 0.000 0.976 1374 Q CA 1.285 57.138 55.803 0.083 0.000 0.875 1374 Q CB -0.137 28.667 28.738 0.110 0.000 0.927 1374 Q HN 0.518 nan 8.270 nan 0.000 0.450 1375 M N -0.965 118.695 119.600 0.101 0.000 2.630 1375 M HA -0.019 4.461 4.480 -0.000 0.000 0.254 1375 M C 0.570 176.959 176.300 0.148 0.000 1.092 1375 M CA 0.932 56.302 55.300 0.118 0.000 1.087 1375 M CB 0.211 32.837 32.600 0.043 0.000 1.453 1375 M HN 0.064 nan 8.290 nan 0.000 0.509 1376 M N -0.986 118.690 119.600 0.125 0.000 3.320 1376 M HA 0.132 4.611 4.480 -0.000 0.000 0.414 1376 M C 0.785 177.130 176.300 0.075 0.000 1.553 1376 M CA -0.056 55.320 55.300 0.126 0.000 0.742 1376 M CB 0.562 33.214 32.600 0.087 0.000 1.434 1376 M HN -0.045 nan 8.290 nan 0.000 0.505 1377 K N 0.180 120.599 120.400 0.033 0.000 2.404 1377 K HA 0.139 4.458 4.320 -0.000 0.000 0.194 1377 K C -0.954 175.419 176.600 -0.378 0.000 1.023 1377 K CA 0.425 56.579 56.287 -0.222 0.000 1.094 1377 K CB 0.513 32.797 32.500 -0.361 0.000 0.841 1377 K HN 0.269 nan 8.250 nan 0.000 0.523 1378 Y N 0.190 120.523 120.300 0.055 0.000 2.499 1378 Y HA 0.442 4.992 4.550 -0.000 0.000 0.347 1378 Y C -0.385 175.574 175.900 0.098 0.000 0.987 1378 Y CA -1.268 56.877 58.100 0.075 0.000 1.044 1378 Y CB 2.202 40.710 38.460 0.079 0.000 1.245 1378 Y HN -0.121 nan 8.280 nan 0.000 0.461 1379 V N -1.392 118.701 119.914 0.299 0.000 2.971 1379 V HA 0.607 4.726 4.120 -0.000 0.000 0.309 1379 V C -0.753 175.498 176.094 0.261 0.000 1.130 1379 V CA -1.198 61.252 62.300 0.249 0.000 0.964 1379 V CB 1.830 33.744 31.823 0.153 0.000 1.029 1379 V HN 0.851 nan 8.190 nan 0.000 0.427 1380 E N 1.567 121.887 120.200 0.200 0.000 2.342 1380 E HA 0.666 5.016 4.350 -0.000 0.000 0.257 1380 E C -1.208 175.436 176.600 0.074 0.000 1.150 1380 E CA -0.675 55.807 56.400 0.135 0.000 0.926 1380 E CB 1.922 31.677 29.700 0.091 0.000 1.074 1380 E HN 0.714 nan 8.360 nan 0.000 0.449 1381 V N 1.937 121.849 119.914 -0.002 0.000 2.495 1381 V HA 0.257 4.376 4.120 -0.000 0.000 0.298 1381 V C 0.377 176.428 176.094 -0.072 0.000 1.031 1381 V CA -0.392 61.844 62.300 -0.107 0.000 0.871 1381 V CB 1.545 33.252 31.823 -0.195 0.000 0.988 1381 V HN 0.959 nan 8.190 nan 0.000 0.432 1382 T N -0.414 114.087 114.554 -0.089 0.000 2.958 1382 T HA 0.220 4.569 4.350 -0.000 0.000 0.256 1382 T C -0.037 174.612 174.700 -0.085 0.000 0.983 1382 T CA 0.022 62.077 62.100 -0.076 0.000 0.924 1382 T CB 0.402 69.223 68.868 -0.077 0.000 1.136 1382 T HN 0.539 nan 8.240 nan 0.000 0.506 1383 D N 2.431 122.767 120.400 -0.106 0.000 2.402 1383 D HA 0.431 5.070 4.640 -0.000 0.000 0.252 1383 D C -2.931 173.308 176.300 -0.103 0.000 1.294 1383 D CA -1.928 52.016 54.000 -0.093 0.000 0.948 1383 D CB 2.267 43.013 40.800 -0.090 0.000 1.202 1383 D HN 0.018 nan 8.370 nan 0.000 0.561 1384 P HA 0.381 nan 4.420 nan 0.000 0.274 1384 P C 0.456 177.738 177.300 -0.031 0.000 1.237 1384 P CA -0.180 62.880 63.100 -0.067 0.000 0.793 1384 P CB 1.470 33.145 31.700 -0.042 0.000 0.977 1385 G N -0.471 108.329 108.800 0.000 0.000 2.445 1385 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.204 1385 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.204 1385 G C 0.661 175.596 174.900 0.058 0.000 1.542 1385 G CA 0.306 45.425 45.100 0.031 0.000 0.584 1385 G HN 0.515 nan 8.290 nan 0.000 1.127 1386 D N -0.321 120.135 120.400 0.094 0.000 2.929 1386 D HA 0.245 4.885 4.640 -0.000 0.000 0.291 1386 D C 0.502 176.867 176.300 0.109 0.000 1.086 1386 D CA 0.487 54.554 54.000 0.111 0.000 0.971 1386 D CB 1.195 42.089 40.800 0.157 0.000 1.275 1386 D HN 0.135 nan 8.370 nan 0.000 0.469 1387 S N -0.544 115.245 115.700 0.147 0.000 2.689 1387 S HA 0.599 5.068 4.470 -0.000 0.000 0.306 1387 S C -0.405 174.243 174.600 0.079 0.000 1.104 1387 S CA -0.529 57.750 58.200 0.131 0.000 0.973 1387 S CB 1.776 65.100 63.200 0.207 0.000 1.121 1387 S HN -0.006 nan 8.310 nan 0.000 0.523 1388 R N 1.084 121.619 120.500 0.059 0.000 2.694 1388 R HA 0.189 4.529 4.340 -0.000 0.000 0.268 1388 R C 0.860 177.167 176.300 0.012 0.000 1.061 1388 R CA -0.158 55.956 56.100 0.023 0.000 1.133 1388 R CB -0.158 30.151 30.300 0.016 0.000 1.020 1388 R HN 0.622 nan 8.270 nan 0.000 0.475 1389 L N 1.169 122.381 121.223 -0.018 0.000 2.762 1389 L HA 0.220 4.560 4.340 -0.000 0.000 0.250 1389 L C 0.105 176.967 176.870 -0.013 0.000 1.160 1389 L CA 1.002 55.822 54.840 -0.034 0.000 0.951 1389 L CB -0.177 41.853 42.059 -0.049 0.000 1.148 1389 L HN 0.453 nan 8.230 nan 0.000 0.424 1390 L N -0.230 121.000 121.223 0.012 0.000 3.168 1390 L HA 0.425 4.764 4.340 -0.000 0.000 0.277 1390 L C 0.189 177.088 176.870 0.048 0.000 1.245 1390 L CA -0.138 54.714 54.840 0.020 0.000 1.035 1390 L CB 0.415 42.481 42.059 0.012 0.000 1.399 1390 L HN 0.388 nan 8.230 nan 0.000 0.580 1391 E N -0.111 120.135 120.200 0.077 0.000 2.250 1391 E HA 0.529 4.879 4.350 -0.000 0.000 0.265 1391 E C 0.135 176.838 176.600 0.172 0.000 1.033 1391 E CA -0.547 55.931 56.400 0.131 0.000 0.888 1391 E CB 1.668 31.483 29.700 0.192 0.000 1.151 1391 E HN 0.124 nan 8.360 nan 0.000 0.412 1392 G N 1.466 110.378 108.800 0.187 0.000 2.660 1392 G HA2 0.331 4.291 3.960 -0.000 0.000 0.305 1392 G HA3 0.331 4.291 3.960 -0.000 0.000 0.305 1392 G C -0.772 174.301 174.900 0.288 0.000 1.329 1392 G CA -0.317 44.914 45.100 0.219 0.000 1.000 1392 G HN 0.240 nan 8.290 nan 0.000 0.514 1393 Q N 0.907 120.977 119.800 0.450 0.000 2.528 1393 Q HA 0.407 4.746 4.340 -0.000 0.000 0.289 1393 Q C -0.416 175.716 176.000 0.220 0.000 1.091 1393 Q CA -1.117 54.876 55.803 0.316 0.000 0.797 1393 Q CB 2.874 31.691 28.738 0.130 0.000 1.466 1393 Q HN 0.302 nan 8.270 nan 0.000 0.436 1394 V N 2.762 122.660 119.914 -0.027 0.000 2.555 1394 V HA -0.185 3.935 4.120 -0.000 0.000 0.299 1394 V C 1.843 177.773 176.094 -0.275 0.000 1.012 1394 V CA 0.798 62.974 62.300 -0.207 0.000 1.180 1394 V CB -0.662 31.040 31.823 -0.202 0.000 0.887 1394 V HN 0.790 nan 8.190 nan 0.000 0.476 1395 L N 3.966 125.076 121.223 -0.189 0.000 2.010 1395 L HA -0.204 4.136 4.340 -0.000 0.000 0.219 1395 L C 2.389 179.089 176.870 -0.282 0.000 1.077 1395 L CA 2.211 56.933 54.840 -0.197 0.000 0.773 1395 L CB -0.196 41.741 42.059 -0.203 0.000 0.892 1395 L HN 0.802 nan 8.230 nan 0.000 0.436 1396 E N 0.245 120.260 120.200 -0.308 0.000 2.110 1396 E HA -0.309 4.041 4.350 -0.000 0.000 0.193 1396 E C 2.171 178.584 176.600 -0.312 0.000 0.988 1396 E CA 1.496 57.709 56.400 -0.312 0.000 0.804 1396 E CB -0.083 29.389 29.700 -0.381 0.000 0.745 1396 E HN 0.523 nan 8.360 nan 0.000 0.458 1397 K N -0.548 119.613 120.400 -0.399 0.000 2.281 1397 K HA -0.166 4.154 4.320 -0.000 0.000 0.203 1397 K C 1.648 178.001 176.600 -0.411 0.000 1.046 1397 K CA 1.332 57.352 56.287 -0.444 0.000 0.938 1397 K CB -0.173 31.976 32.500 -0.584 0.000 0.737 1397 K HN 0.204 nan 8.250 nan 0.000 0.458 1398 W N 0.294 121.469 121.300 -0.209 0.000 2.640 1398 W HA -0.003 4.657 4.660 -0.000 0.000 0.268 1398 W C 1.411 177.807 176.519 -0.205 0.000 1.263 1398 W CA -0.474 56.744 57.345 -0.212 0.000 1.344 1398 W CB 0.330 29.576 29.460 -0.356 0.000 1.093 1398 W HN 0.049 nan 8.180 nan 0.000 0.603 1399 D N -0.066 120.304 120.400 -0.049 0.000 2.312 1399 D HA -0.104 4.536 4.640 -0.000 0.000 0.211 1399 D C 2.112 178.409 176.300 -0.004 0.000 0.964 1399 D CA 0.912 54.885 54.000 -0.045 0.000 0.877 1399 D CB -0.022 40.718 40.800 -0.101 0.000 0.924 1399 D HN -0.008 nan 8.370 nan 0.000 0.515 1400 V N 0.446 120.347 119.914 -0.023 0.000 2.379 1400 V HA -0.088 4.032 4.120 -0.000 0.000 0.243 1400 V C 2.366 178.482 176.094 0.038 0.000 1.035 1400 V CA 0.988 63.276 62.300 -0.019 0.000 1.035 1400 V CB -0.179 31.602 31.823 -0.070 0.000 0.673 1400 V HN 0.145 nan 8.190 nan 0.000 0.457 1401 E N 1.270 121.525 120.200 0.091 0.000 2.017 1401 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 1401 E C 2.259 178.948 176.600 0.149 0.000 0.997 1401 E CA 1.871 58.365 56.400 0.157 0.000 0.804 1401 E CB -0.260 29.640 29.700 0.333 0.000 0.757 1401 E HN 0.438 nan 8.360 nan 0.000 0.448 1402 A N 1.539 124.468 122.820 0.182 0.000 1.908 1402 A HA -0.158 4.161 4.320 -0.000 0.000 0.218 1402 A C 2.544 180.194 177.584 0.110 0.000 1.181 1402 A CA 1.395 53.529 52.037 0.162 0.000 0.627 1402 A CB -0.819 18.323 19.000 0.237 0.000 0.818 1402 A HN 0.355 nan 8.150 nan 0.000 0.445 1403 L N -0.802 120.474 121.223 0.088 0.000 2.046 1403 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 1403 L C 1.896 178.795 176.870 0.047 0.000 1.077 1403 L CA 1.656 56.531 54.840 0.058 0.000 0.747 1403 L CB -0.357 41.723 42.059 0.035 0.000 0.896 1403 L HN 0.384 nan 8.230 nan 0.000 0.432 1404 N N -0.990 117.739 118.700 0.047 0.000 2.412 1404 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 1404 N C 1.461 176.998 175.510 0.045 0.000 1.101 1404 N CA 0.259 53.333 53.050 0.039 0.000 0.881 1404 N CB 0.215 38.721 38.487 0.032 0.000 0.969 1404 N HN 0.232 nan 8.380 nan 0.000 0.459 1405 E N 0.429 120.663 120.200 0.057 0.000 2.250 1405 E HA 0.058 4.408 4.350 -0.000 0.000 0.192 1405 E C 1.818 178.445 176.600 0.045 0.000 0.986 1405 E CA 0.651 57.084 56.400 0.055 0.000 0.849 1405 E CB 0.287 30.029 29.700 0.071 0.000 0.797 1405 E HN 0.229 nan 8.360 nan 0.000 0.482 1406 R N -0.744 119.783 120.500 0.045 0.000 2.142 1406 R HA 0.090 4.430 4.340 -0.000 0.000 0.204 1406 R C 1.363 177.681 176.300 0.029 0.000 1.059 1406 R CA 0.331 56.452 56.100 0.036 0.000 1.055 1406 R CB -0.062 30.262 30.300 0.040 0.000 0.976 1406 R HN 0.140 nan 8.270 nan 0.000 0.483 1407 L N 0.860 122.101 121.223 0.031 0.000 1.995 1407 L HA -0.019 4.321 4.340 -0.000 0.000 0.206 1407 L C 2.183 179.065 176.870 0.021 0.000 1.098 1407 L CA 1.399 56.254 54.840 0.024 0.000 0.762 1407 L CB -0.727 41.346 42.059 0.023 0.000 0.900 1407 L HN 0.095 nan 8.230 nan 0.000 0.441 1408 I N -0.367 120.216 120.570 0.021 0.000 2.094 1408 I HA -0.104 4.066 4.170 -0.000 0.000 0.234 1408 I C 1.254 177.382 176.117 0.019 0.000 1.063 1408 I CA 0.954 62.265 61.300 0.018 0.000 1.328 1408 I CB -0.836 37.174 38.000 0.018 0.000 1.058 1408 I HN 0.140 nan 8.210 nan 0.000 0.400 1409 A N 0.634 123.468 122.820 0.023 0.000 2.289 1409 A HA 0.409 4.729 4.320 -0.000 0.000 0.298 1409 A C 0.250 177.848 177.584 0.024 0.000 1.208 1409 A CA -0.529 51.522 52.037 0.023 0.000 0.845 1409 A CB -0.135 18.881 19.000 0.026 0.000 1.125 1409 A HN 0.343 nan 8.150 nan 0.000 0.517 1410 E N 1.501 121.714 120.200 0.021 0.000 3.473 1410 E HA 0.433 4.782 4.350 -0.000 0.000 0.309 1410 E C 0.791 177.403 176.600 0.021 0.000 1.502 1410 E CA 0.477 56.889 56.400 0.019 0.000 1.525 1410 E CB 0.120 29.829 29.700 0.015 0.000 1.183 1410 E HN 1.548 nan 8.360 nan 0.000 0.757 1411 G N 0.733 109.544 108.800 0.018 0.000 2.636 1411 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.261 1411 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.261 1411 G C -0.496 174.415 174.900 0.019 0.000 1.018 1411 G CA -0.166 44.944 45.100 0.017 0.000 1.308 1411 G HN 0.218 nan 8.290 nan 0.000 0.514 1412 K N 1.341 121.750 120.400 0.016 0.000 2.021 1412 K HA 0.143 4.463 4.320 -0.000 0.000 0.238 1412 K C 0.567 177.175 176.600 0.012 0.000 1.149 1412 K CA 0.286 56.583 56.287 0.016 0.000 1.105 1412 K CB -0.122 32.384 32.500 0.011 0.000 1.246 1412 K HN 0.334 nan 8.250 nan 0.000 0.307 1413 T N 5.294 119.860 114.554 0.019 0.000 3.364 1413 T HA 0.177 4.527 4.350 -0.000 0.000 0.323 1413 T C -2.400 172.309 174.700 0.014 0.000 1.323 1413 T CA -1.510 60.598 62.100 0.013 0.000 1.073 1413 T CB 0.426 69.305 68.868 0.019 0.000 1.150 1413 T HN 0.253 nan 8.240 nan 0.000 0.727 1414 P HA 0.050 nan 4.420 nan 0.000 0.262 1414 P C -0.147 177.145 177.300 -0.013 0.000 1.182 1414 P CA -0.241 62.856 63.100 -0.003 0.000 0.761 1414 P CB 0.320 31.998 31.700 -0.036 0.000 0.795 1415 V N 0.567 120.497 119.914 0.025 0.000 2.218 1415 V HA 0.596 4.716 4.120 -0.000 0.000 0.261 1415 V C 0.472 176.573 176.094 0.011 0.000 1.142 1415 V CA -1.305 60.993 62.300 -0.003 0.000 0.965 1415 V CB -0.180 31.656 31.823 0.021 0.000 1.190 1415 V HN 0.566 nan 8.190 nan 0.000 0.478 1416 A N 5.511 128.260 122.820 -0.118 0.000 2.492 1416 A HA 0.585 4.905 4.320 -0.000 0.000 0.254 1416 A C -0.208 177.276 177.584 -0.167 0.000 1.091 1416 A CA -0.155 51.730 52.037 -0.253 0.000 0.768 1416 A CB -0.051 18.815 19.000 -0.224 0.000 1.028 1416 A HN 1.311 nan 8.150 nan 0.000 0.498 1417 W N 1.575 122.777 121.300 -0.163 0.000 2.967 1417 W HA 0.777 5.437 4.660 -0.000 0.000 0.342 1417 W C -1.021 175.448 176.519 -0.084 0.000 1.162 1417 W CA -1.158 56.083 57.345 -0.173 0.000 1.085 1417 W CB 1.199 30.528 29.460 -0.219 0.000 1.460 1417 W HN 0.470 nan 8.180 nan 0.000 0.584 1418 K N 1.792 122.333 120.400 0.235 0.000 2.463 1418 K HA 0.355 4.675 4.320 -0.000 0.000 0.255 1418 K C -2.649 174.127 176.600 0.294 0.000 0.942 1418 K CA -1.760 54.620 56.287 0.155 0.000 0.814 1418 K CB 2.028 34.567 32.500 0.065 0.000 1.122 1418 K HN 0.032 nan 8.250 nan 0.000 0.425 1419 P HA -0.022 nan 4.420 nan 0.000 0.262 1419 P C -0.934 176.471 177.300 0.176 0.000 1.182 1419 P CA 0.271 63.527 63.100 0.260 0.000 0.761 1419 P CB 0.486 32.311 31.700 0.209 0.000 0.795 1420 L N 4.013 125.341 121.223 0.175 0.000 2.325 1420 L HA 0.361 4.701 4.340 -0.000 0.000 0.281 1420 L C 0.059 177.020 176.870 0.152 0.000 1.004 1420 L CA -0.996 53.933 54.840 0.148 0.000 0.823 1420 L CB 1.513 43.663 42.059 0.152 0.000 1.236 1420 L HN 0.257 nan 8.230 nan 0.000 0.415 1421 L N 5.250 126.559 121.223 0.144 0.000 2.389 1421 L HA 0.391 4.731 4.340 -0.000 0.000 0.265 1421 L C -0.096 176.877 176.870 0.170 0.000 1.167 1421 L CA 0.241 55.174 54.840 0.155 0.000 1.045 1421 L CB 0.037 42.194 42.059 0.163 0.000 1.351 1421 L HN 0.544 nan 8.230 nan 0.000 0.419 1422 M N 2.127 121.811 119.600 0.141 0.000 2.228 1422 M HA 0.391 4.871 4.480 -0.000 0.000 0.326 1422 M C 1.057 177.422 176.300 0.108 0.000 1.122 1422 M CA 0.113 55.475 55.300 0.104 0.000 1.161 1422 M CB 0.594 33.214 32.600 0.033 0.000 1.437 1422 M HN 0.634 nan 8.290 nan 0.000 0.465 1423 G N 0.281 109.137 108.800 0.094 0.000 2.539 1423 G HA2 0.311 4.271 3.960 -0.000 0.000 0.258 1423 G HA3 0.311 4.271 3.960 -0.000 0.000 0.258 1423 G C 0.813 175.766 174.900 0.089 0.000 1.202 1423 G CA -0.680 44.474 45.100 0.089 0.000 0.851 1423 G HN 0.745 nan 8.290 nan 0.000 0.556 1424 V N 1.547 121.527 119.914 0.109 0.000 2.278 1424 V HA -0.219 3.901 4.120 -0.000 0.000 0.251 1424 V C 2.623 178.773 176.094 0.093 0.000 1.062 1424 V CA 3.232 65.610 62.300 0.131 0.000 1.038 1424 V CB -0.851 31.102 31.823 0.216 0.000 0.646 1424 V HN 0.787 nan 8.190 nan 0.000 0.447 1425 T N -0.567 114.035 114.554 0.080 0.000 2.674 1425 T HA -0.195 4.154 4.350 -0.000 0.000 0.265 1425 T C 1.924 176.660 174.700 0.060 0.000 1.039 1425 T CA 2.041 64.186 62.100 0.074 0.000 1.150 1425 T CB -0.295 68.621 68.868 0.079 0.000 0.864 1425 T HN 0.526 nan 8.240 nan 0.000 0.427 1426 K N 0.638 121.059 120.400 0.036 0.000 2.365 1426 K HA 0.005 4.325 4.320 -0.000 0.000 0.199 1426 K C 2.518 179.069 176.600 -0.080 0.000 1.045 1426 K CA 0.725 57.003 56.287 -0.014 0.000 0.962 1426 K CB -0.121 32.364 32.500 -0.026 0.000 0.759 1426 K HN 0.218 nan 8.250 nan 0.000 0.469 1427 S N 0.026 115.711 115.700 -0.026 0.000 2.395 1427 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 1427 S C 1.905 176.546 174.600 0.069 0.000 1.027 1427 S CA 0.949 59.144 58.200 -0.009 0.000 0.965 1427 S CB -0.011 63.334 63.200 0.242 0.000 0.812 1427 S HN 0.374 nan 8.310 nan 0.000 0.482 1428 A N 1.892 124.751 122.820 0.064 0.000 1.832 1428 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 1428 A C 2.055 179.670 177.584 0.052 0.000 1.200 1428 A CA 1.570 53.635 52.037 0.047 0.000 0.610 1428 A CB -1.217 17.780 19.000 -0.005 0.000 0.842 1428 A HN 0.490 nan 8.150 nan 0.000 0.444 1429 L N 0.891 122.147 121.223 0.055 0.000 1.997 1429 L HA -0.217 4.123 4.340 -0.000 0.000 0.227 1429 L C 2.120 178.988 176.870 -0.004 0.000 1.087 1429 L CA 2.551 57.421 54.840 0.049 0.000 0.797 1429 L CB -0.883 41.187 42.059 0.020 0.000 0.902 1429 L HN 0.510 nan 8.230 nan 0.000 0.441 1430 S N -2.017 113.643 115.700 -0.068 0.000 3.513 1430 S HA 0.170 4.639 4.470 -0.000 0.000 0.209 1430 S C 0.424 175.006 174.600 -0.030 0.000 1.446 1430 S CA -0.337 57.806 58.200 -0.095 0.000 1.150 1430 S CB -0.516 62.572 63.200 -0.185 0.000 1.266 1430 S HN 0.329 nan 8.310 nan 0.000 0.502 1431 T N 1.463 116.049 114.554 0.054 0.000 2.728 1431 T HA 0.267 4.616 4.350 -0.000 0.000 0.296 1431 T C 1.145 175.878 174.700 0.055 0.000 0.940 1431 T CA -0.605 61.572 62.100 0.129 0.000 1.013 1431 T CB 0.622 69.558 68.868 0.113 0.000 0.912 1431 T HN 0.602 nan 8.240 nan 0.000 0.484 1432 K N 3.534 123.980 120.400 0.077 0.000 2.162 1432 K HA -0.200 4.119 4.320 -0.000 0.000 0.219 1432 K C 1.005 177.597 176.600 -0.013 0.000 1.038 1432 K CA 1.901 58.202 56.287 0.022 0.000 0.946 1432 K CB -0.506 31.989 32.500 -0.007 0.000 0.783 1432 K HN 0.637 nan 8.250 nan 0.000 0.470 1433 S N -0.333 115.311 115.700 -0.093 0.000 2.549 1433 S HA -0.023 4.447 4.470 -0.000 0.000 0.286 1433 S C 0.882 175.429 174.600 -0.088 0.000 1.314 1433 S CA 0.100 58.210 58.200 -0.150 0.000 1.062 1433 S CB 0.322 63.354 63.200 -0.280 0.000 0.865 1433 S HN 0.441 nan 8.310 nan 0.000 0.498 1434 W N 6.315 127.580 121.300 -0.059 0.000 2.409 1434 W HA 0.033 4.693 4.660 -0.001 0.000 0.299 1434 W C 1.271 177.725 176.519 -0.107 0.000 1.203 1434 W CA 0.589 57.894 57.345 -0.067 0.000 1.298 1434 W CB -1.013 28.431 29.460 -0.027 0.000 1.127 1434 W HN 0.588 nan 8.180 nan 0.000 0.528 1435 L N 1.613 122.257 121.223 -0.965 0.000 2.010 1435 L HA -0.335 4.005 4.340 -0.000 0.000 0.219 1435 L C 3.034 179.691 176.870 -0.354 0.000 1.077 1435 L CA 2.772 57.220 54.840 -0.654 0.000 0.773 1435 L CB -1.643 40.005 42.059 -0.685 0.000 0.892 1435 L HN 0.324 nan 8.230 nan 0.000 0.436 1436 S N -1.705 113.832 115.700 -0.272 0.000 2.368 1436 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 1436 S C 2.089 176.642 174.600 -0.079 0.000 1.030 1436 S CA 1.186 59.306 58.200 -0.134 0.000 0.999 1436 S CB -0.305 62.847 63.200 -0.080 0.000 0.844 1436 S HN 0.548 nan 8.310 nan 0.000 0.459 1437 A N 1.494 124.273 122.820 -0.068 0.000 1.877 1437 A HA 0.149 4.468 4.320 -0.000 0.000 0.216 1437 A C 2.453 179.993 177.584 -0.073 0.000 1.186 1437 A CA 1.875 53.891 52.037 -0.036 0.000 0.620 1437 A CB -1.478 17.507 19.000 -0.024 0.000 0.822 1437 A HN 0.774 nan 8.150 nan 0.000 0.443 1438 A N -0.634 122.087 122.820 -0.166 0.000 2.093 1438 A HA -0.127 4.193 4.320 -0.000 0.000 0.222 1438 A C 2.369 179.789 177.584 -0.273 0.000 1.162 1438 A CA 2.196 54.041 52.037 -0.320 0.000 0.655 1438 A CB -0.733 17.712 19.000 -0.926 0.000 0.805 1438 A HN 0.463 nan 8.150 nan 0.000 0.461 1439 S N -1.954 113.632 115.700 -0.191 0.000 2.329 1439 S HA 0.033 4.503 4.470 -0.000 0.000 0.215 1439 S C 1.639 176.343 174.600 0.173 0.000 1.031 1439 S CA 1.230 59.424 58.200 -0.010 0.000 0.985 1439 S CB -0.355 62.845 63.200 0.000 0.000 0.917 1439 S HN 0.657 nan 8.310 nan 0.000 0.441 1440 F N 1.220 121.149 119.950 -0.034 0.000 2.204 1440 F HA 0.086 4.612 4.527 -0.000 0.000 0.276 1440 F C 2.463 178.259 175.800 -0.006 0.000 1.085 1440 F CA 0.422 58.416 58.000 -0.011 0.000 1.160 1440 F CB -0.478 38.513 39.000 -0.016 0.000 1.091 1440 F HN 0.171 nan 8.300 nan 0.000 0.522 1441 Q N 0.868 120.638 119.800 -0.050 0.000 0.829 1441 Q HA -0.287 4.053 4.340 -0.000 0.000 0.832 1441 Q C -0.338 175.596 176.000 -0.110 0.000 0.896 1441 Q CA 1.477 57.181 55.803 -0.165 0.000 0.870 1441 Q CB -0.443 28.241 28.738 -0.091 0.000 0.916 1441 Q HN 0.296 nan 8.270 nan 0.000 0.222 1442 N N -0.983 117.683 118.700 -0.057 0.000 2.372 1442 N HA 0.123 4.862 4.740 -0.000 0.000 0.285 1442 N C 0.020 175.518 175.510 -0.020 0.000 1.008 1442 N CA 0.327 53.361 53.050 -0.028 0.000 0.880 1442 N CB 1.796 40.288 38.487 0.008 0.000 1.239 1442 N HN 0.469 nan 8.380 nan 0.000 0.484 1443 T N -0.509 114.043 114.554 -0.002 0.000 2.951 1443 T HA -0.075 4.274 4.350 -0.000 0.000 0.268 1443 T C 1.382 176.021 174.700 -0.102 0.000 1.073 1443 T CA 1.401 63.523 62.100 0.035 0.000 1.134 1443 T CB -0.419 68.550 68.868 0.169 0.000 0.884 1443 T HN 0.431 nan 8.240 nan 0.000 0.479 1444 T N 1.119 115.534 114.554 -0.231 0.000 2.612 1444 T HA -0.081 4.269 4.350 -0.000 0.000 0.259 1444 T C 1.604 176.218 174.700 -0.143 0.000 1.065 1444 T CA 1.506 63.336 62.100 -0.450 0.000 1.167 1444 T CB -0.758 67.867 68.868 -0.405 0.000 0.863 1444 T HN 0.711 nan 8.240 nan 0.000 0.407 1445 H N 0.599 119.588 119.070 -0.134 0.000 2.265 1445 H HA -0.152 4.404 4.556 -0.000 0.000 0.293 1445 H C 2.222 177.533 175.328 -0.029 0.000 1.089 1445 H CA 1.704 57.716 56.048 -0.061 0.000 1.244 1445 H CB -0.324 29.409 29.762 -0.049 0.000 1.355 1445 H HN 0.071 nan 8.280 nan 0.000 0.485 1446 V N 0.779 120.667 119.914 -0.044 0.000 2.222 1446 V HA -0.333 3.787 4.120 -0.000 0.000 0.252 1446 V C 2.719 178.833 176.094 0.033 0.000 1.060 1446 V CA 2.092 64.347 62.300 -0.075 0.000 1.027 1446 V CB -0.653 31.153 31.823 -0.028 0.000 0.644 1446 V HN 0.345 nan 8.190 nan 0.000 0.448 1447 L N -0.357 120.921 121.223 0.091 0.000 2.141 1447 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 1447 L C 2.515 179.490 176.870 0.175 0.000 1.094 1447 L CA 2.106 57.036 54.840 0.151 0.000 0.763 1447 L CB -1.466 40.819 42.059 0.376 0.000 0.908 1447 L HN 0.415 nan 8.230 nan 0.000 0.437 1448 T N -0.932 113.741 114.554 0.197 0.000 2.555 1448 T HA -0.300 4.050 4.350 -0.000 0.000 0.264 1448 T C 1.779 176.476 174.700 -0.005 0.000 1.083 1448 T CA 1.793 64.006 62.100 0.187 0.000 1.179 1448 T CB -0.263 68.707 68.868 0.171 0.000 0.863 1448 T HN 0.361 nan 8.240 nan 0.000 0.412 1449 E N 0.833 121.051 120.200 0.031 0.000 2.058 1449 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 1449 E C 2.380 178.921 176.600 -0.099 0.000 0.997 1449 E CA 1.047 57.425 56.400 -0.037 0.000 0.801 1449 E CB -0.259 29.471 29.700 0.049 0.000 0.746 1449 E HN 0.473 nan 8.360 nan 0.000 0.450 1450 A N 0.604 123.381 122.820 -0.072 0.000 2.125 1450 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 1450 A C 2.133 179.590 177.584 -0.212 0.000 1.156 1450 A CA 1.522 53.479 52.037 -0.134 0.000 0.671 1450 A CB -0.421 18.476 19.000 -0.171 0.000 0.794 1450 A HN 0.395 nan 8.150 nan 0.000 0.459 1451 A N 0.099 122.827 122.820 -0.154 0.000 1.835 1451 A HA 0.104 4.424 4.320 -0.000 0.000 0.213 1451 A C 1.867 179.334 177.584 -0.195 0.000 1.210 1451 A CA 1.355 53.323 52.037 -0.116 0.000 0.605 1451 A CB -0.632 18.376 19.000 0.013 0.000 0.860 1451 A HN 0.325 nan 8.150 nan 0.000 0.447 1452 I N 0.673 121.032 120.570 -0.351 0.000 2.087 1452 I HA -0.224 3.945 4.170 -0.000 0.000 0.240 1452 I C 1.780 177.568 176.117 -0.549 0.000 1.054 1452 I CA 1.222 62.138 61.300 -0.639 0.000 1.311 1452 I CB -0.766 36.764 38.000 -0.783 0.000 1.024 1452 I HN 0.265 nan 8.210 nan 0.000 0.402 1453 A N 0.873 123.479 122.820 -0.357 0.000 2.527 1453 A HA 0.531 4.851 4.320 -0.000 0.000 0.313 1453 A C 1.042 178.548 177.584 -0.130 0.000 1.410 1453 A CA -0.012 51.893 52.037 -0.221 0.000 1.060 1453 A CB -1.039 17.870 19.000 -0.153 0.000 1.137 1453 A HN 0.433 nan 8.150 nan 0.000 0.542 1454 G N 3.164 111.913 108.800 -0.085 0.000 2.452 1454 G HA2 0.016 3.976 3.960 -0.000 0.000 0.290 1454 G HA3 0.016 3.976 3.960 -0.000 0.000 0.290 1454 G C 0.288 175.174 174.900 -0.023 0.000 0.717 1454 G CA 0.013 45.088 45.100 -0.041 0.000 1.967 1454 G HN 0.544 nan 8.290 nan 0.000 0.471 1455 K N 1.463 121.824 120.400 -0.065 0.000 2.350 1455 K HA 0.174 4.493 4.320 -0.000 0.000 0.279 1455 K C 0.512 177.249 176.600 0.228 0.000 1.027 1455 K CA 0.125 56.452 56.287 0.066 0.000 0.969 1455 K CB 1.177 33.741 32.500 0.107 0.000 0.954 1455 K HN 0.441 nan 8.250 nan 0.000 0.474 1456 K N 2.361 122.950 120.400 0.316 0.000 2.389 1456 K HA 0.092 4.412 4.320 -0.000 0.000 0.261 1456 K C -0.561 176.226 176.600 0.313 0.000 1.014 1456 K CA -0.570 55.926 56.287 0.349 0.000 0.920 1456 K CB 1.172 33.774 32.500 0.169 0.000 1.149 1456 K HN 0.376 nan 8.250 nan 0.000 0.444 1457 D N 3.958 124.535 120.400 0.294 0.000 2.398 1457 D HA -0.040 4.599 4.640 -0.000 0.000 0.250 1457 D C -0.407 175.797 176.300 -0.161 0.000 1.287 1457 D CA 0.188 54.024 54.000 -0.272 0.000 0.992 1457 D CB 0.575 40.666 40.800 -1.183 0.000 1.071 1457 D HN 0.326 nan 8.370 nan 0.000 0.514 1458 E N 3.690 123.840 120.200 -0.085 0.000 2.161 1458 E HA 0.019 4.369 4.350 -0.000 0.000 0.263 1458 E C 0.191 176.720 176.600 -0.118 0.000 1.185 1458 E CA -0.185 56.179 56.400 -0.060 0.000 0.938 1458 E CB 0.587 30.276 29.700 -0.019 0.000 1.023 1458 E HN 0.502 nan 8.360 nan 0.000 0.433 1459 L N 5.636 126.787 121.223 -0.119 0.000 2.699 1459 L HA -0.003 4.336 4.340 -0.000 0.000 0.283 1459 L C 0.224 177.026 176.870 -0.113 0.000 1.166 1459 L CA 0.299 55.054 54.840 -0.142 0.000 1.043 1459 L CB -0.813 41.178 42.059 -0.114 0.000 1.369 1459 L HN 0.352 nan 8.230 nan 0.000 0.462 1460 I N 0.386 120.870 120.570 -0.144 0.000 2.610 1460 I HA 0.977 5.147 4.170 -0.000 0.000 0.289 1460 I C -0.079 175.928 176.117 -0.183 0.000 1.163 1460 I CA -0.487 60.740 61.300 -0.121 0.000 1.044 1460 I CB 2.054 40.011 38.000 -0.072 0.000 1.251 1460 I HN 0.375 nan 8.210 nan 0.000 0.424 1461 G N 4.370 113.066 108.800 -0.172 0.000 2.764 1461 G HA2 0.020 3.980 3.960 -0.000 0.000 0.678 1461 G HA3 0.020 3.980 3.960 -0.000 0.000 0.678 1461 G C -0.143 174.616 174.900 -0.236 0.000 1.341 1461 G CA -0.507 44.451 45.100 -0.236 0.000 0.836 1461 G HN 0.863 nan 8.290 nan 0.000 0.632 1462 L N 1.280 122.360 121.223 -0.239 0.000 1.994 1462 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 1462 L C 2.961 179.717 176.870 -0.190 0.000 1.071 1462 L CA 2.115 56.846 54.840 -0.181 0.000 0.745 1462 L CB -0.559 41.424 42.059 -0.128 0.000 0.892 1462 L HN 0.763 nan 8.230 nan 0.000 0.431 1463 K N 0.970 121.199 120.400 -0.286 0.000 1.977 1463 K HA -0.265 4.054 4.320 -0.000 0.000 0.218 1463 K C 2.081 178.589 176.600 -0.153 0.000 1.051 1463 K CA 2.359 58.539 56.287 -0.178 0.000 0.953 1463 K CB -0.237 32.162 32.500 -0.168 0.000 0.727 1463 K HN 0.517 nan 8.250 nan 0.000 0.445 1464 E N 0.133 120.204 120.200 -0.215 0.000 2.086 1464 E HA -0.294 4.056 4.350 -0.000 0.000 0.205 1464 E C 1.809 178.316 176.600 -0.155 0.000 1.027 1464 E CA 1.998 58.271 56.400 -0.212 0.000 0.830 1464 E CB -0.636 28.890 29.700 -0.289 0.000 0.751 1464 E HN 0.345 nan 8.360 nan 0.000 0.456 1465 N N 0.071 118.681 118.700 -0.151 0.000 2.519 1465 N HA -0.068 4.671 4.740 -0.000 0.000 0.186 1465 N C 1.529 176.995 175.510 -0.073 0.000 1.062 1465 N CA 0.517 53.502 53.050 -0.109 0.000 0.910 1465 N CB 0.176 38.597 38.487 -0.110 0.000 0.958 1465 N HN 0.056 nan 8.380 nan 0.000 0.445 1466 V N 0.853 120.727 119.914 -0.066 0.000 2.270 1466 V HA -0.176 3.943 4.120 -0.000 0.000 0.245 1466 V C 1.938 178.029 176.094 -0.004 0.000 1.043 1466 V CA 1.098 63.378 62.300 -0.034 0.000 1.014 1466 V CB -0.308 31.501 31.823 -0.023 0.000 0.645 1466 V HN 0.281 nan 8.190 nan 0.000 0.447 1467 I N -0.325 120.254 120.570 0.015 0.000 2.208 1467 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 1467 I C 2.461 178.609 176.117 0.050 0.000 1.097 1467 I CA 1.742 63.083 61.300 0.067 0.000 1.363 1467 I CB -1.498 36.580 38.000 0.130 0.000 1.051 1467 I HN 0.292 nan 8.210 nan 0.000 0.413 1468 L N 1.195 122.429 121.223 0.017 0.000 2.187 1468 L HA -0.152 4.188 4.340 -0.000 0.000 0.213 1468 L C 1.694 178.567 176.870 0.005 0.000 1.100 1468 L CA 1.480 56.325 54.840 0.010 0.000 0.765 1468 L CB -0.502 41.545 42.059 -0.020 0.000 0.904 1468 L HN 0.576 nan 8.230 nan 0.000 0.437 1469 G N -0.220 108.579 108.800 -0.003 0.000 2.148 1469 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.254 1469 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.254 1469 G C 0.431 175.316 174.900 -0.025 0.000 0.981 1469 G CA 0.490 45.585 45.100 -0.007 0.000 0.670 1469 G HN 0.430 nan 8.290 nan 0.000 0.528 1470 R N -0.871 119.608 120.500 -0.036 0.000 2.546 1470 R HA 0.655 4.994 4.340 -0.000 0.000 0.266 1470 R C 0.559 176.816 176.300 -0.072 0.000 1.086 1470 R CA -0.982 55.086 56.100 -0.053 0.000 1.160 1470 R CB 0.321 30.590 30.300 -0.051 0.000 1.138 1470 R HN 0.191 nan 8.270 nan 0.000 0.567 1471 L N 3.235 124.401 121.223 -0.095 0.000 2.513 1471 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 1471 L C -0.705 176.102 176.870 -0.104 0.000 1.187 1471 L CA 0.368 55.136 54.840 -0.120 0.000 0.895 1471 L CB 0.230 42.188 42.059 -0.167 0.000 1.147 1471 L HN 0.388 nan 8.230 nan 0.000 0.483 1472 I N 6.879 127.392 120.570 -0.096 0.000 2.815 1472 I HA 0.028 4.197 4.170 -0.000 0.000 0.291 1472 I C -1.374 174.695 176.117 -0.081 0.000 1.209 1472 I CA -0.960 60.290 61.300 -0.084 0.000 1.431 1472 I CB -0.409 37.548 38.000 -0.072 0.000 1.351 1472 I HN 0.580 nan 8.210 nan 0.000 0.585 1473 P HA -0.068 nan 4.420 nan 0.000 0.225 1473 P C 0.121 177.399 177.300 -0.037 0.000 1.148 1473 P CA 1.138 64.206 63.100 -0.053 0.000 0.779 1473 P CB 0.228 31.893 31.700 -0.058 0.000 0.780 1474 A N -1.379 121.414 122.820 -0.044 0.000 2.420 1474 A HA 0.689 5.009 4.320 -0.000 0.000 0.291 1474 A C 1.273 178.840 177.584 -0.028 0.000 1.228 1474 A CA -0.007 52.012 52.037 -0.029 0.000 0.933 1474 A CB -0.208 18.771 19.000 -0.035 0.000 1.428 1474 A HN 0.270 nan 8.150 nan 0.000 0.493 1475 G N -0.861 107.930 108.800 -0.015 0.000 2.634 1475 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.318 1475 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.318 1475 G C 0.967 175.865 174.900 -0.002 0.000 1.207 1475 G CA 1.303 46.398 45.100 -0.010 0.000 0.987 1475 G HN 1.377 nan 8.290 nan 0.000 0.547 1476 T N 1.638 116.179 114.554 -0.022 0.000 3.067 1476 T HA 0.302 4.651 4.350 -0.000 0.000 0.257 1476 T C 2.303 176.955 174.700 -0.079 0.000 1.105 1476 T CA 1.603 63.690 62.100 -0.021 0.000 1.104 1476 T CB -0.159 68.704 68.868 -0.008 0.000 0.925 1476 T HN 1.137 nan 8.240 nan 0.000 0.498 1477 G N 2.298 111.039 108.800 -0.099 0.000 2.471 1477 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.219 1477 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.219 1477 G C 0.833 175.690 174.900 -0.073 0.000 1.125 1477 G CA 0.395 45.421 45.100 -0.123 0.000 0.775 1477 G HN 0.596 nan 8.290 nan 0.000 0.548 1478 S N 1.517 117.207 115.700 -0.016 0.000 3.298 1478 S HA -0.103 4.367 4.470 -0.000 0.000 0.389 1478 S C 0.795 175.450 174.600 0.091 0.000 1.186 1478 S CA 0.498 58.730 58.200 0.053 0.000 1.034 1478 S CB 0.430 63.692 63.200 0.103 0.000 0.735 1478 S HN 0.291 nan 8.310 nan 0.000 0.510 1479 D N 2.060 122.535 120.400 0.123 0.000 2.203 1479 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 1479 D C 1.112 177.621 176.300 0.349 0.000 0.997 1479 D CA 1.160 55.296 54.000 0.228 0.000 0.863 1479 D CB -0.359 40.571 40.800 0.216 0.000 0.928 1479 D HN 0.687 nan 8.370 nan 0.000 0.458 1480 F N 0.693 120.707 119.950 0.107 0.000 2.202 1480 F HA -0.159 4.368 4.527 -0.000 0.000 0.301 1480 F C 1.865 177.738 175.800 0.122 0.000 1.082 1480 F CA 0.958 59.019 58.000 0.102 0.000 1.313 1480 F CB 0.129 39.163 39.000 0.056 0.000 1.024 1480 F HN -0.147 nan 8.300 nan 0.000 0.495 1481 V N -1.071 118.874 119.914 0.052 0.000 3.497 1481 V HA 0.103 4.223 4.120 -0.000 0.000 0.272 1481 V C 2.041 178.122 176.094 -0.022 0.000 1.474 1481 V CA 0.469 62.725 62.300 -0.072 0.000 1.025 1481 V CB -0.185 31.569 31.823 -0.115 0.000 0.820 1481 V HN 0.120 nan 8.190 nan 0.000 0.437 1482 R N 0.946 121.389 120.500 -0.094 0.000 2.204 1482 R HA -0.182 4.157 4.340 -0.000 0.000 0.253 1482 R C -0.120 175.916 176.300 -0.440 0.000 1.172 1482 R CA 1.712 57.610 56.100 -0.337 0.000 0.994 1482 R CB -0.100 29.847 30.300 -0.589 0.000 0.874 1482 R HN 0.453 nan 8.270 nan 0.000 0.462 1483 F N 0.028 119.987 119.950 0.015 0.000 2.347 1483 F HA 0.385 4.912 4.527 -0.001 0.000 0.366 1483 F C -0.525 175.267 175.800 -0.013 0.000 1.107 1483 F CA -0.622 57.385 58.000 0.012 0.000 1.058 1483 F CB 2.096 41.102 39.000 0.011 0.000 1.236 1483 F HN -0.279 nan 8.300 nan 0.000 0.456 1484 T N 2.709 117.343 114.554 0.134 0.000 2.993 1484 T HA 0.421 4.770 4.350 -0.000 0.000 0.312 1484 T C -0.905 173.823 174.700 0.046 0.000 1.115 1484 T CA -1.075 61.059 62.100 0.057 0.000 1.027 1484 T CB 2.027 70.896 68.868 0.001 0.000 1.116 1484 T HN 0.462 nan 8.240 nan 0.000 0.464 1485 Q N 1.145 120.962 119.800 0.028 0.000 2.348 1485 Q HA 0.839 5.178 4.340 -0.000 0.000 0.271 1485 Q C -0.772 175.227 176.000 -0.003 0.000 1.067 1485 Q CA -1.327 54.487 55.803 0.019 0.000 0.839 1485 Q CB 2.664 31.418 28.738 0.028 0.000 1.354 1485 Q HN 0.565 nan 8.270 nan 0.000 0.447 1486 V N -1.456 118.454 119.914 -0.007 0.000 2.656 1486 V HA 0.883 5.003 4.120 -0.000 0.000 0.307 1486 V C -0.488 175.600 176.094 -0.011 0.000 1.051 1486 V CA -0.615 61.675 62.300 -0.017 0.000 0.893 1486 V CB 1.523 33.327 31.823 -0.031 0.000 0.999 1486 V HN 0.631 nan 8.190 nan 0.000 0.426 1487 V N 2.424 122.331 119.914 -0.011 0.000 3.182 1487 V HA 0.650 4.770 4.120 -0.000 0.000 0.308 1487 V C -1.481 174.607 176.094 -0.010 0.000 1.240 1487 V CA -0.621 61.675 62.300 -0.008 0.000 1.063 1487 V CB 2.400 34.221 31.823 -0.004 0.000 1.076 1487 V HN 1.128 nan 8.190 nan 0.000 0.446 1488 D N 0.479 120.875 120.400 -0.007 0.000 2.498 1488 D HA 0.266 4.906 4.640 -0.000 0.000 0.247 1488 D C 0.384 176.680 176.300 -0.006 0.000 1.070 1488 D CA -0.690 53.306 54.000 -0.007 0.000 0.842 1488 D CB 2.029 42.825 40.800 -0.007 0.000 1.361 1488 D HN 0.415 nan 8.370 nan 0.000 0.484 1489 Q N 1.172 120.968 119.800 -0.006 0.000 2.290 1489 Q HA -0.220 4.119 4.340 -0.000 0.000 0.211 1489 Q C 1.217 177.215 176.000 -0.004 0.000 0.991 1489 Q CA 1.534 57.334 55.803 -0.005 0.000 0.893 1489 Q CB -0.217 28.518 28.738 -0.005 0.000 0.913 1489 Q HN 0.601 nan 8.270 nan 0.000 0.428 1490 K N -0.490 119.908 120.400 -0.004 0.000 2.167 1490 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 1490 K C 1.924 178.523 176.600 -0.002 0.000 1.052 1490 K CA 1.210 57.496 56.287 -0.002 0.000 0.956 1490 K CB 0.136 32.635 32.500 -0.002 0.000 0.735 1490 K HN 0.052 nan 8.250 nan 0.000 0.451 1491 T N 1.665 116.218 114.554 -0.002 0.000 3.051 1491 T HA 0.053 4.403 4.350 -0.000 0.000 0.255 1491 T C 1.479 176.179 174.700 -0.000 0.000 1.085 1491 T CA 0.107 62.207 62.100 -0.000 0.000 1.109 1491 T CB 0.131 68.999 68.868 -0.000 0.000 0.921 1491 T HN 0.031 nan 8.240 nan 0.000 0.488 1492 L N 1.658 122.881 121.223 -0.001 0.000 2.023 1492 L HA 0.074 4.413 4.340 -0.000 0.000 0.205 1492 L C 2.119 178.989 176.870 -0.000 0.000 1.073 1492 L CA 1.857 56.696 54.840 -0.001 0.000 0.745 1492 L CB -0.642 41.416 42.059 -0.002 0.000 0.900 1492 L HN 0.082 nan 8.230 nan 0.000 0.435 1493 K N -0.044 120.355 120.400 -0.001 0.000 2.280 1493 K HA -0.090 4.230 4.320 -0.000 0.000 0.202 1493 K C 1.864 178.464 176.600 0.000 0.000 1.047 1493 K CA 1.115 57.402 56.287 -0.001 0.000 0.942 1493 K CB -0.141 32.358 32.500 -0.001 0.000 0.739 1493 K HN 0.382 nan 8.250 nan 0.000 0.457 1494 A N 1.127 123.947 122.820 0.000 0.000 2.066 1494 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 1494 A C 1.927 179.512 177.584 0.002 0.000 1.157 1494 A CA 0.771 52.809 52.037 0.001 0.000 0.670 1494 A CB -0.194 18.806 19.000 0.001 0.000 0.804 1494 A HN 0.071 nan 8.150 nan 0.000 0.453 1495 I N -0.184 120.387 120.570 0.002 0.000 2.584 1495 I HA -0.096 4.074 4.170 -0.000 0.000 0.255 1495 I C 2.264 178.382 176.117 0.002 0.000 1.145 1495 I CA 1.602 62.903 61.300 0.002 0.000 1.462 1495 I CB -1.082 36.920 38.000 0.003 0.000 1.102 1495 I HN 0.499 nan 8.210 nan 0.000 0.433 1496 E N 1.579 121.780 120.200 0.001 0.000 2.208 1496 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 1496 E C 1.769 178.370 176.600 0.001 0.000 0.988 1496 E CA 1.131 57.532 56.400 0.001 0.000 0.828 1496 E CB -0.009 29.691 29.700 0.000 0.000 0.763 1496 E HN 0.288 nan 8.360 nan 0.000 0.478 1497 E N -0.200 120.000 120.200 0.001 0.000 2.427 1497 E HA 0.023 4.373 4.350 -0.000 0.000 0.196 1497 E C 1.504 178.105 176.600 0.002 0.000 1.028 1497 E CA 0.799 57.199 56.400 0.001 0.000 0.864 1497 E CB 0.237 29.938 29.700 0.001 0.000 0.813 1497 E HN 0.410 nan 8.360 nan 0.000 0.514 1498 A N 0.853 123.675 122.820 0.002 0.000 2.081 1498 A HA 0.060 4.380 4.320 -0.000 0.000 0.214 1498 A C 1.543 179.129 177.584 0.003 0.000 1.158 1498 A CA 0.040 52.079 52.037 0.003 0.000 0.724 1498 A CB 0.116 19.118 19.000 0.003 0.000 0.826 1498 A HN -0.019 nan 8.150 nan 0.000 0.463 1499 R N 0.000 120.501 120.500 0.002 0.000 2.786 1499 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 1499 R CA 0.000 56.101 56.100 0.002 0.000 0.921 1499 R CB 0.000 30.301 30.300 0.002 0.000 0.687 1499 R HN 0.000 nan 8.270 nan 0.000 0.535