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 2o5j_1_N DATA FIRST_RESID 2 DATA SEQUENCE KKEVRKVRIA LASPEKIRSW SYGEVEKPET INYRTLKPER DGLFDERIFG DATA SEQUENCE PIKDYECACG KYKRQRFEGK VCERCGVEVT KSIVRRYRMG HIELATPAAH DATA SEQUENCE IWFVKDVPSK IGTLLDLSAT ELEQVLYFSK YIVLDPKGAI LNGVPVEKRQ DATA SEQUENCE LLTDEEYREL RYGKQETYPL PPGVDALVKD GEEVVKGQEL APGVVSRLDG DATA SEQUENCE VALYRFXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRPMVQVD GGRFATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAL LDNGRRGAPV TNPGSDRPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKGIAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGLEFATPEE ALAAHERGEV ALNAPIKVAG RETSVGRLKY VFANPDEALL DATA SEQUENCE AVAHGIVDLQ DVVTVRYMGK RLETSPGRIL FARIVAEAVE DEKVAWELIQ DATA SEQUENCE LDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTF STTSGITIGI DATA SEQUENCE DDAVIPEEKK QYLEEADRKL LQIEQAYEMG FLTDRERYDQ ILQLWTETTE DATA SEQUENCE KVTQAVFKNF EENYPFNPLY VMAQSGARGN PQQIRQLCGL RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE THEIVVREAD CGTTNYISVP LFQPDEVTRS LRLRKRADIE AGLYGRVLAR DATA SEQUENCE EVEVLGVRLE EGRYLSMDDV HLLIKAAEAG EIQEVPVRSP LTCQTRYGVC DATA SEQUENCE QKCYGYDLSM ARPVSIGEAV GIVAAQSIGE PGTQLTMRTF HTGGVAGAAD DATA SEQUENCE ITQGLPRVIE LFEARRPKAK XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXAID PHQLLEAKGP EAVERYLVEE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMMKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAEG KTPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQKT LKAIEEARKE DATA SEQUENCE AVEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.603 176.600 0.006 0.000 0.988 2 K CA 0.000 56.290 56.287 0.005 0.000 0.838 2 K CB 0.000 32.504 32.500 0.007 0.000 1.064 3 K N 0.643 121.048 120.400 0.008 0.000 2.230 3 K HA 0.149 4.471 4.320 0.004 0.000 0.253 3 K C -0.485 176.119 176.600 0.007 0.000 1.008 3 K CA -0.224 56.069 56.287 0.011 0.000 0.910 3 K CB 0.605 33.113 32.500 0.014 0.000 0.994 3 K HN 0.019 nan 8.250 nan 0.000 0.495 4 E N 0.917 121.123 120.200 0.011 0.000 2.227 4 E HA 0.116 4.469 4.350 0.004 0.000 0.282 4 E C -1.015 175.591 176.600 0.009 0.000 1.015 4 E CA -0.658 55.746 56.400 0.007 0.000 0.823 4 E CB 1.291 30.997 29.700 0.010 0.000 1.081 4 E HN 0.384 nan 8.360 nan 0.000 0.396 5 V N 6.322 126.238 119.914 0.004 0.000 2.403 5 V HA 0.088 4.210 4.120 0.004 0.000 0.265 5 V C 1.060 177.160 176.094 0.010 0.000 1.034 5 V CA 0.348 62.653 62.300 0.009 0.000 1.036 5 V CB 0.234 32.058 31.823 0.002 0.000 1.032 5 V HN 0.727 nan 8.190 nan 0.000 0.478 6 R N 2.748 123.260 120.500 0.020 0.000 2.335 6 R HA 0.300 4.642 4.340 0.004 0.000 0.210 6 R C -0.051 176.264 176.300 0.025 0.000 0.892 6 R CA 0.055 56.167 56.100 0.019 0.000 1.048 6 R CB 0.611 30.926 30.300 0.026 0.000 1.067 6 R HN 0.552 nan 8.270 nan 0.000 0.524 7 K N 0.683 121.108 120.400 0.041 0.000 2.525 7 K HA 0.385 4.707 4.320 0.004 0.000 0.254 7 K C -1.294 175.367 176.600 0.101 0.000 0.934 7 K CA -0.509 55.817 56.287 0.065 0.000 0.802 7 K CB 3.389 35.938 32.500 0.081 0.000 1.295 7 K HN -0.230 nan 8.250 nan 0.000 0.433 8 V N 2.090 122.090 119.914 0.144 0.000 2.769 8 V HA 0.613 4.735 4.120 0.004 0.000 0.312 8 V C -0.402 176.010 176.094 0.531 0.000 1.058 8 V CA -0.806 61.651 62.300 0.261 0.000 0.952 8 V CB 1.775 33.726 31.823 0.213 0.000 1.019 8 V HN 0.720 nan 8.190 nan 0.000 0.445 9 R N 3.209 123.970 120.500 0.435 0.000 2.515 9 R HA 0.503 4.845 4.340 0.004 0.000 0.278 9 R C -2.097 174.197 176.300 -0.011 0.000 1.107 9 R CA -0.535 55.709 56.100 0.240 0.000 0.945 9 R CB 1.665 32.051 30.300 0.142 0.000 1.219 9 R HN 0.731 nan 8.270 nan 0.000 0.434 10 I N 3.467 123.781 120.570 -0.426 0.000 2.331 10 I HA 0.522 4.694 4.170 0.004 0.000 0.292 10 I C 0.033 176.036 176.117 -0.190 0.000 0.998 10 I CA -0.582 60.515 61.300 -0.338 0.000 1.267 10 I CB 1.745 39.386 38.000 -0.599 0.000 1.386 10 I HN 0.705 nan 8.210 nan 0.000 0.476 11 A N 6.817 129.623 122.820 -0.024 0.000 2.475 11 A HA 0.691 5.013 4.320 0.004 0.000 0.301 11 A C -0.615 177.072 177.584 0.172 0.000 1.059 11 A CA -0.615 51.466 52.037 0.073 0.000 0.710 11 A CB 1.311 20.376 19.000 0.108 0.000 1.288 11 A HN 0.642 nan 8.150 nan 0.000 0.408 12 L N 0.855 122.231 121.223 0.255 0.000 2.473 12 L HA 0.372 4.714 4.340 0.004 0.000 0.265 12 L C 0.955 178.047 176.870 0.371 0.000 1.243 12 L CA -0.049 55.007 54.840 0.359 0.000 0.822 12 L CB 0.696 43.027 42.059 0.453 0.000 1.101 12 L HN 0.863 nan 8.230 nan 0.000 0.507 13 A N 1.225 124.272 122.820 0.379 0.000 2.317 13 A HA 0.563 4.885 4.320 0.004 0.000 0.327 13 A C -0.355 177.300 177.584 0.118 0.000 1.178 13 A CA -0.423 51.800 52.037 0.310 0.000 0.817 13 A CB 0.956 20.228 19.000 0.454 0.000 1.189 13 A HN 0.623 nan 8.150 nan 0.000 0.489 14 S N 3.534 119.132 115.700 -0.170 0.000 2.537 14 S HA 0.327 4.799 4.470 0.004 0.000 0.275 14 S C -1.790 172.570 174.600 -0.399 0.000 1.272 14 S CA -0.861 57.022 58.200 -0.529 0.000 1.050 14 S CB 1.148 63.894 63.200 -0.757 0.000 0.961 14 S HN 0.562 nan 8.310 nan 0.000 0.496 15 P HA -0.178 nan 4.420 nan 0.000 0.216 15 P C 1.020 178.102 177.300 -0.363 0.000 1.154 15 P CA 1.225 64.167 63.100 -0.262 0.000 0.865 15 P CB 0.182 31.777 31.700 -0.175 0.000 0.789 16 E N -0.551 119.415 120.200 -0.389 0.000 2.106 16 E HA -0.136 4.216 4.350 0.004 0.000 0.192 16 E C 1.830 178.124 176.600 -0.511 0.000 0.984 16 E CA 1.097 57.264 56.400 -0.388 0.000 0.806 16 E CB -0.691 28.811 29.700 -0.330 0.000 0.750 16 E HN 0.265 nan 8.360 nan 0.000 0.458 17 K N 0.210 120.260 120.400 -0.583 0.000 2.147 17 K HA -0.108 4.214 4.320 0.004 0.000 0.205 17 K C 1.865 177.508 176.600 -1.595 0.000 1.049 17 K CA 0.731 56.519 56.287 -0.831 0.000 0.936 17 K CB -0.167 32.014 32.500 -0.531 0.000 0.722 17 K HN 0.128 nan 8.250 nan 0.000 0.446 18 I N 1.753 121.564 120.570 -1.265 0.000 2.091 18 I HA -0.311 3.861 4.170 0.004 0.000 0.239 18 I C 2.170 177.766 176.117 -0.868 0.000 1.061 18 I CA 1.615 62.222 61.300 -1.155 0.000 1.317 18 I CB -1.221 36.487 38.000 -0.486 0.000 1.031 18 I HN 0.173 nan 8.210 nan 0.000 0.401 19 R N 0.826 120.882 120.500 -0.739 0.000 2.115 19 R HA -0.070 4.273 4.340 0.004 0.000 0.230 19 R C 2.346 178.331 176.300 -0.525 0.000 1.111 19 R CA 1.396 57.072 56.100 -0.706 0.000 0.976 19 R CB -1.530 28.459 30.300 -0.518 0.000 0.870 19 R HN 0.560 nan 8.270 nan 0.000 0.445 20 S N 0.903 116.256 115.700 -0.579 0.000 2.353 20 S HA -0.145 4.327 4.470 0.004 0.000 0.222 20 S C 1.703 176.157 174.600 -0.244 0.000 1.035 20 S CA 1.078 59.023 58.200 -0.425 0.000 1.025 20 S CB -0.336 62.590 63.200 -0.457 0.000 0.902 20 S HN 0.517 nan 8.310 nan 0.000 0.440 21 W N 1.850 123.113 121.300 -0.062 0.000 2.595 21 W HA 0.425 5.087 4.660 0.003 0.000 0.257 21 W C 1.586 178.192 176.519 0.144 0.000 1.267 21 W CA -0.148 57.224 57.345 0.046 0.000 1.300 21 W CB -1.815 27.680 29.460 0.060 0.000 1.120 21 W HN 0.324 nan 8.180 nan 0.000 0.618 22 S N -0.084 115.710 115.700 0.158 0.000 2.617 22 S HA 0.371 4.843 4.470 0.004 0.000 0.269 22 S C -1.328 173.357 174.600 0.141 0.000 1.292 22 S CA -0.060 58.260 58.200 0.201 0.000 1.010 22 S CB 0.569 63.683 63.200 -0.142 0.000 0.944 22 S HN 0.013 nan 8.310 nan 0.000 0.536 23 Y N 1.222 121.553 120.300 0.051 0.000 2.331 23 Y HA 0.536 5.088 4.550 0.003 0.000 0.326 23 Y C 0.784 176.635 175.900 -0.082 0.000 1.020 23 Y CA -0.088 58.004 58.100 -0.012 0.000 1.136 23 Y CB 1.319 39.762 38.460 -0.029 0.000 1.157 23 Y HN 1.134 nan 8.280 nan 0.000 0.444 24 G N 2.452 111.293 108.800 0.067 0.000 2.960 24 G HA2 -0.207 3.755 3.960 0.004 0.000 0.267 24 G HA3 -0.207 3.755 3.960 0.004 0.000 0.267 24 G C -0.529 174.267 174.900 -0.174 0.000 1.492 24 G CA 0.049 45.108 45.100 -0.070 0.000 0.953 24 G HN 0.854 nan 8.290 nan 0.000 0.555 25 E N -1.350 118.637 120.200 -0.355 0.000 2.234 25 E HA 0.539 4.891 4.350 0.004 0.000 0.266 25 E C -0.144 176.279 176.600 -0.295 0.000 0.877 25 E CA -1.126 54.962 56.400 -0.519 0.000 0.758 25 E CB 1.798 31.085 29.700 -0.688 0.000 1.170 25 E HN 0.695 nan 8.360 nan 0.000 0.415 26 V N 4.687 124.473 119.914 -0.213 0.000 2.439 26 V HA 0.079 4.201 4.120 0.004 0.000 0.271 26 V C 0.802 176.828 176.094 -0.113 0.000 1.040 26 V CA 0.445 62.682 62.300 -0.106 0.000 1.002 26 V CB 0.391 32.206 31.823 -0.014 0.000 1.000 26 V HN 0.905 nan 8.190 nan 0.000 0.477 27 E N 3.074 123.222 120.200 -0.087 0.000 2.583 27 E HA 0.324 4.676 4.350 0.004 0.000 0.213 27 E C 0.213 176.787 176.600 -0.043 0.000 0.989 27 E CA -0.489 55.866 56.400 -0.075 0.000 0.991 27 E CB 0.722 30.374 29.700 -0.081 0.000 1.040 27 E HN 0.610 nan 8.360 nan 0.000 0.481 28 K N 1.449 121.833 120.400 -0.027 0.000 2.542 28 K HA 0.266 4.588 4.320 0.004 0.000 0.259 28 K C -2.685 173.917 176.600 0.003 0.000 0.932 28 K CA -2.387 53.893 56.287 -0.011 0.000 0.820 28 K CB 2.093 34.587 32.500 -0.010 0.000 1.345 28 K HN -0.214 nan 8.250 nan 0.000 0.432 29 P HA 0.029 nan 4.420 nan 0.000 0.232 29 P C -1.145 176.156 177.300 0.002 0.000 1.738 29 P CA 0.151 63.259 63.100 0.013 0.000 0.948 29 P CB 0.217 31.927 31.700 0.016 0.000 1.943 30 E N 0.829 121.031 120.200 0.003 0.000 2.207 30 E HA 0.113 4.465 4.350 0.004 0.000 0.250 30 E C 1.279 177.859 176.600 -0.035 0.000 0.890 30 E CA -0.124 56.267 56.400 -0.015 0.000 0.749 30 E CB 1.702 31.398 29.700 -0.006 0.000 1.193 30 E HN 0.248 nan 8.360 nan 0.000 0.423 31 T N 0.561 115.055 114.554 -0.101 0.000 2.571 31 T HA 0.077 4.429 4.350 0.004 0.000 0.255 31 T C 1.032 175.570 174.700 -0.269 0.000 1.100 31 T CA 0.752 62.707 62.100 -0.242 0.000 1.199 31 T CB 0.170 68.859 68.868 -0.298 0.000 0.870 31 T HN 0.371 nan 8.240 nan 0.000 0.399 32 I N 1.412 121.833 120.570 -0.249 0.000 2.722 32 I HA 0.290 4.462 4.170 0.004 0.000 0.292 32 I C -1.156 174.866 176.117 -0.158 0.000 1.267 32 I CA -0.911 60.261 61.300 -0.212 0.000 1.036 32 I CB 2.405 40.221 38.000 -0.308 0.000 1.281 32 I HN 0.424 nan 8.210 nan 0.000 0.423 33 N N 6.137 124.767 118.700 -0.117 0.000 2.437 33 N HA 0.078 4.820 4.740 0.004 0.000 0.243 33 N C 1.042 176.452 175.510 -0.167 0.000 1.041 33 N CA -0.148 52.836 53.050 -0.109 0.000 0.940 33 N CB 0.724 39.114 38.487 -0.161 0.000 1.133 33 N HN 0.671 nan 8.380 nan 0.000 0.506 34 Y N 4.258 124.487 120.300 -0.118 0.000 2.065 34 Y HA -0.435 4.117 4.550 0.004 0.000 0.251 34 Y C 1.919 177.815 175.900 -0.006 0.000 1.258 34 Y CA 1.502 59.561 58.100 -0.068 0.000 1.070 34 Y CB -0.823 37.628 38.460 -0.015 0.000 0.880 34 Y HN 0.384 nan 8.280 nan 0.000 0.509 35 R N 0.622 120.778 120.500 -0.572 0.000 2.191 35 R HA -0.164 4.178 4.340 0.004 0.000 0.248 35 R C 0.412 176.637 176.300 -0.125 0.000 1.127 35 R CA 2.084 57.984 56.100 -0.333 0.000 0.943 35 R CB -1.881 28.129 30.300 -0.483 0.000 0.891 35 R HN 0.545 nan 8.270 nan 0.000 0.439 36 T N 1.450 115.917 114.554 -0.146 0.000 2.791 36 T HA 0.406 4.758 4.350 0.004 0.000 0.288 36 T C 0.802 175.471 174.700 -0.051 0.000 0.999 36 T CA -0.487 61.574 62.100 -0.064 0.000 0.952 36 T CB 1.703 70.534 68.868 -0.061 0.000 0.938 36 T HN 0.060 nan 8.240 nan 0.000 0.444 37 L N 1.858 123.080 121.223 -0.001 0.000 2.869 37 L HA 0.138 4.480 4.340 0.004 0.000 0.259 37 L C 1.212 178.075 176.870 -0.011 0.000 1.162 37 L CA 0.410 55.242 54.840 -0.013 0.000 0.975 37 L CB -0.696 41.409 42.059 0.077 0.000 1.217 37 L HN 0.448 nan 8.230 nan 0.000 0.418 38 K N 0.609 121.001 120.400 -0.012 0.000 2.090 38 K HA 0.325 4.648 4.320 0.004 0.000 0.250 38 K C -2.222 174.385 176.600 0.012 0.000 1.004 38 K CA -1.921 54.375 56.287 0.016 0.000 0.919 38 K CB 0.902 33.409 32.500 0.012 0.000 1.045 38 K HN -0.209 nan 8.250 nan 0.000 0.471 39 P HA -0.036 nan 4.420 nan 0.000 0.265 39 P C -0.283 177.036 177.300 0.032 0.000 1.193 39 P CA 0.253 63.405 63.100 0.087 0.000 0.765 39 P CB 0.797 32.596 31.700 0.166 0.000 0.823 40 E N 2.532 122.737 120.200 0.007 0.000 2.223 40 E HA -0.170 4.182 4.350 0.004 0.000 0.267 40 E C 1.279 177.884 176.600 0.008 0.000 0.857 40 E CA 1.169 57.563 56.400 -0.010 0.000 1.467 40 E CB 0.123 29.810 29.700 -0.022 0.000 0.965 40 E HN 0.438 nan 8.360 nan 0.000 0.591 41 R N -0.167 120.339 120.500 0.011 0.000 2.138 41 R HA 0.267 4.609 4.340 0.004 0.000 0.129 41 R C 1.480 177.792 176.300 0.021 0.000 1.410 41 R CA 0.226 56.331 56.100 0.009 0.000 1.523 41 R CB -0.878 29.421 30.300 -0.002 0.000 1.468 41 R HN 0.017 nan 8.270 nan 0.000 0.550 42 D N 0.389 120.791 120.400 0.004 0.000 2.190 42 D HA 0.003 4.646 4.640 0.004 0.000 0.200 42 D C 0.731 177.051 176.300 0.033 0.000 0.992 42 D CA 1.905 55.902 54.000 -0.006 0.000 0.854 42 D CB -0.828 39.951 40.800 -0.034 0.000 0.936 42 D HN 0.619 nan 8.370 nan 0.000 0.462 43 G N 0.033 108.866 108.800 0.054 0.000 4.641 43 G HA2 -0.227 3.735 3.960 0.004 0.000 0.782 43 G HA3 -0.227 3.735 3.960 0.004 0.000 0.782 43 G C 0.707 175.742 174.900 0.224 0.000 1.363 43 G CA 0.175 45.335 45.100 0.100 0.000 0.913 43 G HN 0.277 nan 8.290 nan 0.000 0.622 44 L N -1.126 120.242 121.223 0.242 0.000 2.549 44 L HA 0.180 4.523 4.340 0.004 0.000 0.230 44 L C 1.941 179.164 176.870 0.590 0.000 1.162 44 L CA 1.316 56.380 54.840 0.375 0.000 0.834 44 L CB -0.492 41.731 42.059 0.274 0.000 0.947 44 L HN 0.480 nan 8.230 nan 0.000 0.452 45 F N -1.542 118.503 119.950 0.158 0.000 2.746 45 F HA 0.195 4.725 4.527 0.004 0.000 0.320 45 F C 0.958 176.898 175.800 0.232 0.000 1.097 45 F CA -1.073 57.003 58.000 0.127 0.000 1.195 45 F CB 0.527 39.541 39.000 0.023 0.000 1.056 45 F HN -0.071 nan 8.300 nan 0.000 0.562 46 D N 1.318 121.948 120.400 0.382 0.000 2.601 46 D HA -0.134 4.508 4.640 0.004 0.000 0.229 46 D C 1.028 177.452 176.300 0.206 0.000 1.140 46 D CA 0.766 54.894 54.000 0.213 0.000 0.862 46 D CB 0.893 41.750 40.800 0.096 0.000 1.192 46 D HN 0.159 nan 8.370 nan 0.000 0.480 47 E N 1.628 121.900 120.200 0.120 0.000 2.285 47 E HA -0.081 4.271 4.350 0.004 0.000 0.194 47 E C 1.750 178.379 176.600 0.049 0.000 0.997 47 E CA 0.442 56.896 56.400 0.089 0.000 0.845 47 E CB 0.058 29.796 29.700 0.063 0.000 0.782 47 E HN 0.439 nan 8.360 nan 0.000 0.491 48 R N 0.919 121.426 120.500 0.012 0.000 2.064 48 R HA -0.086 4.256 4.340 0.004 0.000 0.228 48 R C 2.013 178.277 176.300 -0.060 0.000 1.144 48 R CA 1.543 57.636 56.100 -0.013 0.000 0.932 48 R CB -0.440 29.843 30.300 -0.028 0.000 0.833 48 R HN 0.148 nan 8.270 nan 0.000 0.429 49 I N -0.158 120.279 120.570 -0.221 0.000 2.530 49 I HA -0.242 3.930 4.170 0.004 0.000 0.257 49 I C 1.185 176.912 176.117 -0.650 0.000 1.179 49 I CA 1.474 62.447 61.300 -0.544 0.000 1.440 49 I CB -0.077 37.346 38.000 -0.962 0.000 1.087 49 I HN 0.293 nan 8.210 nan 0.000 0.440 50 F N -0.869 119.060 119.950 -0.036 0.000 2.455 50 F HA 0.435 4.964 4.527 0.003 0.000 0.278 50 F C 1.009 176.714 175.800 -0.157 0.000 0.887 50 F CA 0.146 58.074 58.000 -0.120 0.000 1.104 50 F CB 0.746 39.668 39.000 -0.130 0.000 0.949 50 F HN -0.053 nan 8.300 nan 0.000 0.750 51 G N -0.085 108.763 108.800 0.079 0.000 2.350 51 G HA2 0.237 4.199 3.960 0.004 0.000 0.305 51 G HA3 0.237 4.199 3.960 0.004 0.000 0.305 51 G C -3.272 171.634 174.900 0.010 0.000 1.479 51 G CA -1.138 43.965 45.100 0.006 0.000 0.949 51 G HN -0.329 nan 8.290 nan 0.000 0.651 52 P HA 0.124 nan 4.420 nan 0.000 0.260 52 P C 1.162 178.463 177.300 0.001 0.000 1.185 52 P CA -0.067 63.045 63.100 0.020 0.000 0.763 52 P CB 0.685 32.404 31.700 0.031 0.000 0.776 53 I N 2.209 122.791 120.570 0.020 0.000 2.546 53 I HA -0.107 4.065 4.170 0.004 0.000 0.255 53 I C 0.946 177.069 176.117 0.011 0.000 1.163 53 I CA 1.297 62.606 61.300 0.016 0.000 1.457 53 I CB 0.160 38.187 38.000 0.046 0.000 1.092 53 I HN 0.198 nan 8.210 nan 0.000 0.434 54 K N 0.432 120.845 120.400 0.021 0.000 2.352 54 K HA 0.186 4.508 4.320 0.004 0.000 0.240 54 K C 0.486 177.090 176.600 0.008 0.000 1.017 54 K CA -0.586 55.712 56.287 0.019 0.000 0.851 54 K CB 0.824 33.349 32.500 0.041 0.000 1.261 54 K HN -0.085 nan 8.250 nan 0.000 0.451 55 D N 0.574 120.969 120.400 -0.008 0.000 1.986 55 D HA -0.247 4.395 4.640 0.004 0.000 0.282 55 D C 0.973 177.256 176.300 -0.027 0.000 1.436 55 D CA 1.945 55.910 54.000 -0.059 0.000 1.179 55 D CB -0.234 40.541 40.800 -0.040 0.000 2.132 55 D HN 0.622 nan 8.370 nan 0.000 0.682 56 Y N -0.387 119.927 120.300 0.024 0.000 2.478 56 Y HA 0.062 4.614 4.550 0.003 0.000 0.261 56 Y C 1.143 177.084 175.900 0.068 0.000 1.127 56 Y CA -0.544 57.575 58.100 0.031 0.000 1.288 56 Y CB 0.677 39.142 38.460 0.009 0.000 1.084 56 Y HN 0.064 nan 8.280 nan 0.000 0.530 57 E N 0.597 120.940 120.200 0.238 0.000 2.392 57 E HA 0.024 4.376 4.350 0.004 0.000 0.259 57 E C 0.107 176.805 176.600 0.163 0.000 1.108 57 E CA 0.007 56.522 56.400 0.192 0.000 0.916 57 E CB 0.990 30.774 29.700 0.140 0.000 0.989 57 E HN 0.353 nan 8.360 nan 0.000 0.432 58 C N 1.136 120.532 119.300 0.161 0.000 2.555 58 C HA 0.770 5.232 4.460 0.004 0.000 0.364 58 C C 1.811 176.859 174.990 0.096 0.000 2.249 58 C CA 0.234 59.327 59.018 0.126 0.000 1.843 58 C CB -0.061 27.761 27.740 0.138 0.000 1.954 58 C HN 0.769 nan 8.230 nan 0.000 0.458 59 A N -0.050 122.818 122.820 0.080 0.000 1.832 59 A HA -0.054 4.268 4.320 0.004 0.000 0.214 59 A C 2.242 179.861 177.584 0.058 0.000 1.204 59 A CA 2.372 54.446 52.037 0.062 0.000 0.606 59 A CB -1.552 17.478 19.000 0.051 0.000 0.849 59 A HN 1.535 nan 8.150 nan 0.000 0.445 60 C N -2.798 116.538 119.300 0.061 0.000 2.492 60 C HA 0.516 4.978 4.460 0.004 0.000 0.279 60 C C 1.930 176.954 174.990 0.055 0.000 1.335 60 C CA 0.589 59.637 59.018 0.050 0.000 1.734 60 C CB -0.454 27.313 27.740 0.045 0.000 2.027 60 C HN 1.799 nan 8.230 nan 0.000 0.496 61 G N 0.580 109.429 108.800 0.081 0.000 2.143 61 G HA2 -0.144 3.818 3.960 0.004 0.000 0.175 61 G HA3 -0.144 3.818 3.960 0.004 0.000 0.175 61 G C 0.725 175.661 174.900 0.059 0.000 1.004 61 G CA 0.279 45.428 45.100 0.081 0.000 0.671 61 G HN 0.351 nan 8.290 nan 0.000 0.512 62 K N -0.630 119.817 120.400 0.079 0.000 2.026 62 K HA 0.008 4.330 4.320 0.004 0.000 0.208 62 K C 0.405 176.864 176.600 -0.235 0.000 1.048 62 K CA 1.192 57.451 56.287 -0.047 0.000 0.929 62 K CB -0.150 32.390 32.500 0.066 0.000 0.713 62 K HN 0.520 nan 8.250 nan 0.000 0.439 63 Y N 0.288 120.557 120.300 -0.052 0.000 2.335 63 Y HA 0.210 4.762 4.550 0.004 0.000 0.338 63 Y C 0.712 176.766 175.900 0.258 0.000 0.977 63 Y CA -0.780 57.300 58.100 -0.033 0.000 1.114 63 Y CB 1.614 40.016 38.460 -0.096 0.000 1.182 63 Y HN -0.136 nan 8.280 nan 0.000 0.463 64 K N 0.484 121.205 120.400 0.533 0.000 2.450 64 K HA 0.276 4.598 4.320 0.004 0.000 0.206 64 K C 0.561 177.309 176.600 0.247 0.000 1.148 64 K CA -0.141 56.345 56.287 0.332 0.000 1.014 64 K CB 0.818 33.440 32.500 0.203 0.000 0.966 64 K HN 0.276 nan 8.250 nan 0.000 0.566 65 R N 0.140 120.719 120.500 0.132 0.000 3.234 65 R HA 0.285 4.627 4.340 0.004 0.000 0.223 65 R C 0.887 176.732 176.300 -0.759 0.000 1.644 65 R CA -0.457 55.490 56.100 -0.255 0.000 1.009 65 R CB -0.001 30.163 30.300 -0.228 0.000 1.959 65 R HN -0.055 nan 8.270 nan 0.000 0.534 66 Q N 0.277 119.571 119.800 -0.843 0.000 2.302 66 Q HA -0.040 4.302 4.340 0.004 0.000 0.202 66 Q C 1.450 176.986 176.000 -0.773 0.000 0.936 66 Q CA 0.918 56.120 55.803 -1.002 0.000 0.886 66 Q CB 0.203 28.529 28.738 -0.686 0.000 0.986 66 Q HN 0.286 nan 8.270 nan 0.000 0.487 67 R N 0.793 120.804 120.500 -0.815 0.000 2.140 67 R HA -0.181 4.161 4.340 0.004 0.000 0.250 67 R C 0.874 176.940 176.300 -0.389 0.000 1.150 67 R CA 1.968 57.742 56.100 -0.543 0.000 0.966 67 R CB -0.682 29.373 30.300 -0.408 0.000 0.869 67 R HN 0.333 nan 8.270 nan 0.000 0.445 68 F N 0.628 120.548 119.950 -0.050 0.000 2.942 68 F HA 0.397 4.926 4.527 0.004 0.000 0.324 68 F C 1.085 176.844 175.800 -0.068 0.000 1.265 68 F CA -0.772 57.221 58.000 -0.013 0.000 1.255 68 F CB -0.107 38.957 39.000 0.107 0.000 1.048 68 F HN -0.058 nan 8.300 nan 0.000 0.512 69 E N 0.670 120.767 120.200 -0.171 0.000 2.118 69 E HA -0.158 4.194 4.350 0.004 0.000 0.195 69 E C 1.603 178.197 176.600 -0.010 0.000 0.992 69 E CA 1.553 57.850 56.400 -0.170 0.000 0.804 69 E CB -0.925 28.642 29.700 -0.222 0.000 0.741 69 E HN 0.533 nan 8.360 nan 0.000 0.458 70 G N 0.450 109.258 108.800 0.013 0.000 3.337 70 G HA2 0.119 4.081 3.960 0.004 0.000 0.246 70 G HA3 0.119 4.081 3.960 0.004 0.000 0.246 70 G C 0.141 175.049 174.900 0.013 0.000 1.131 70 G CA -0.501 44.614 45.100 0.025 0.000 0.773 70 G HN 0.115 nan 8.290 nan 0.000 0.544 71 K N -0.230 120.171 120.400 0.002 0.000 2.156 71 K HA 0.602 4.924 4.320 0.004 0.000 0.250 71 K C -0.923 175.577 176.600 -0.167 0.000 0.955 71 K CA -0.728 55.517 56.287 -0.070 0.000 0.855 71 K CB 3.031 35.488 32.500 -0.072 0.000 1.101 71 K HN -0.073 nan 8.250 nan 0.000 0.434 72 V N 1.639 121.439 119.914 -0.191 0.000 2.617 72 V HA 0.190 4.312 4.120 0.004 0.000 0.298 72 V C -0.464 175.411 176.094 -0.364 0.000 1.048 72 V CA -0.774 61.402 62.300 -0.208 0.000 0.964 72 V CB 1.455 33.218 31.823 -0.100 0.000 1.004 72 V HN 0.989 nan 8.190 nan 0.000 0.466 73 C N 4.917 124.019 119.300 -0.330 0.000 2.648 73 C HA 0.162 4.624 4.460 0.004 0.000 0.419 73 C C 1.860 176.810 174.990 -0.067 0.000 1.352 73 C CA 0.503 59.364 59.018 -0.262 0.000 1.816 73 C CB -0.250 27.473 27.740 -0.029 0.000 2.598 73 C HN 1.152 nan 8.230 nan 0.000 0.598 74 E N 2.807 123.027 120.200 0.034 0.000 2.070 74 E HA -0.233 4.119 4.350 0.004 0.000 0.197 74 E C 2.228 178.847 176.600 0.032 0.000 1.004 74 E CA 2.022 58.450 56.400 0.046 0.000 0.805 74 E CB 0.078 29.837 29.700 0.099 0.000 0.744 74 E HN 0.840 nan 8.360 nan 0.000 0.451 75 R N -0.130 120.399 120.500 0.048 0.000 2.128 75 R HA 0.067 4.409 4.340 0.004 0.000 0.211 75 R C 0.863 177.176 176.300 0.022 0.000 1.067 75 R CA 0.818 56.935 56.100 0.030 0.000 1.010 75 R CB -0.445 29.874 30.300 0.033 0.000 0.922 75 R HN 0.263 nan 8.270 nan 0.000 0.457 76 C N 0.739 120.056 119.300 0.029 0.000 2.455 76 C HA 0.819 5.281 4.460 0.004 0.000 0.320 76 C C 0.537 175.532 174.990 0.008 0.000 1.226 76 C CA -0.779 58.252 59.018 0.021 0.000 1.569 76 C CB 1.272 29.032 27.740 0.032 0.000 2.200 76 C HN 0.408 nan 8.230 nan 0.000 0.491 77 G N 2.863 111.665 108.800 0.002 0.000 2.448 77 G HA2 0.535 4.497 3.960 0.004 0.000 0.309 77 G HA3 0.535 4.497 3.960 0.004 0.000 0.309 77 G C -0.680 174.223 174.900 0.005 0.000 1.027 77 G CA -0.159 44.937 45.100 -0.006 0.000 1.104 77 G HN 1.223 nan 8.290 nan 0.000 0.428 78 V N 3.526 123.437 119.914 -0.004 0.000 2.568 78 V HA 0.215 4.337 4.120 0.004 0.000 0.276 78 V C -0.213 175.888 176.094 0.012 0.000 1.002 78 V CA -0.929 61.382 62.300 0.019 0.000 0.879 78 V CB 1.444 33.292 31.823 0.042 0.000 1.040 78 V HN 0.733 nan 8.190 nan 0.000 0.457 79 E N 2.724 122.940 120.200 0.027 0.000 2.301 79 E HA 0.674 5.026 4.350 0.004 0.000 0.275 79 E C -1.211 175.437 176.600 0.080 0.000 1.030 79 E CA -0.145 56.279 56.400 0.039 0.000 0.852 79 E CB 2.184 31.911 29.700 0.045 0.000 1.060 79 E HN 0.497 nan 8.360 nan 0.000 0.401 80 V N 2.157 122.143 119.914 0.121 0.000 2.888 80 V HA 0.456 4.578 4.120 0.004 0.000 0.309 80 V C 0.082 176.351 176.094 0.292 0.000 1.114 80 V CA -0.749 61.660 62.300 0.182 0.000 0.940 80 V CB 2.006 33.968 31.823 0.233 0.000 1.021 80 V HN 0.788 nan 8.190 nan 0.000 0.426 81 T N 1.093 115.759 114.554 0.187 0.000 2.538 81 T HA 0.484 4.836 4.350 0.004 0.000 0.237 81 T C -0.049 174.568 174.700 -0.139 0.000 0.818 81 T CA -0.825 61.313 62.100 0.063 0.000 1.193 81 T CB 1.052 69.954 68.868 0.056 0.000 1.497 81 T HN 0.596 nan 8.240 nan 0.000 0.503 82 K N 0.721 121.014 120.400 -0.179 0.000 2.863 82 K HA 0.459 4.781 4.320 0.004 0.000 0.304 82 K C 1.212 177.746 176.600 -0.109 0.000 1.015 82 K CA -0.454 55.724 56.287 -0.182 0.000 1.093 82 K CB -0.082 32.305 32.500 -0.188 0.000 1.345 82 K HN 0.278 nan 8.250 nan 0.000 0.500 83 S N 0.701 116.333 115.700 -0.114 0.000 2.575 83 S HA 0.029 4.501 4.470 0.004 0.000 0.215 83 S C 1.901 176.396 174.600 -0.176 0.000 0.966 83 S CA -0.014 58.119 58.200 -0.112 0.000 0.911 83 S CB -0.441 62.703 63.200 -0.094 0.000 0.780 83 S HN 0.487 nan 8.310 nan 0.000 0.514 84 I N 0.954 121.397 120.570 -0.213 0.000 2.264 84 I HA -0.166 4.006 4.170 0.004 0.000 0.248 84 I C 2.276 178.110 176.117 -0.473 0.000 1.111 84 I CA 1.190 62.258 61.300 -0.386 0.000 1.382 84 I CB -1.385 36.422 38.000 -0.322 0.000 1.060 84 I HN 0.223 nan 8.210 nan 0.000 0.418 85 V N 0.085 119.878 119.914 -0.201 0.000 2.370 85 V HA -0.308 3.814 4.120 0.004 0.000 0.252 85 V C 2.738 178.753 176.094 -0.131 0.000 1.068 85 V CA 2.262 64.515 62.300 -0.078 0.000 1.061 85 V CB -1.375 30.428 31.823 -0.033 0.000 0.656 85 V HN 0.446 nan 8.190 nan 0.000 0.455 86 R N 1.188 121.585 120.500 -0.170 0.000 2.148 86 R HA -0.115 4.227 4.340 0.004 0.000 0.227 86 R C 2.463 178.603 176.300 -0.267 0.000 1.103 86 R CA 1.708 57.705 56.100 -0.171 0.000 0.983 86 R CB -0.071 30.121 30.300 -0.180 0.000 0.874 86 R HN 0.801 nan 8.270 nan 0.000 0.451 87 R N -2.191 118.103 120.500 -0.343 0.000 2.312 87 R HA 0.051 4.393 4.340 0.004 0.000 0.205 87 R C 0.913 177.081 176.300 -0.219 0.000 0.904 87 R CA 0.732 56.625 56.100 -0.344 0.000 1.052 87 R CB -0.199 29.873 30.300 -0.379 0.000 1.014 87 R HN 0.264 nan 8.270 nan 0.000 0.503 88 Y N 0.162 120.393 120.300 -0.115 0.000 2.396 88 Y HA 0.312 4.864 4.550 0.004 0.000 0.292 88 Y C 0.734 176.595 175.900 -0.065 0.000 1.128 88 Y CA -0.907 57.140 58.100 -0.088 0.000 1.194 88 Y CB 0.335 38.748 38.460 -0.080 0.000 1.124 88 Y HN -0.125 nan 8.280 nan 0.000 0.543 89 R N 1.046 121.596 120.500 0.083 0.000 2.679 89 R HA 0.115 4.457 4.340 0.004 0.000 0.268 89 R C -0.553 175.909 176.300 0.269 0.000 1.044 89 R CA 0.707 56.832 56.100 0.042 0.000 1.105 89 R CB 0.226 30.430 30.300 -0.159 0.000 0.989 89 R HN 0.118 nan 8.270 nan 0.000 0.447 90 M N 0.632 120.450 119.600 0.364 0.000 2.528 90 M HA 0.460 4.942 4.480 0.004 0.000 0.321 90 M C 0.263 176.893 176.300 0.549 0.000 1.153 90 M CA -0.619 54.963 55.300 0.470 0.000 0.951 90 M CB 2.438 35.274 32.600 0.392 0.000 1.705 90 M HN 0.770 nan 8.290 nan 0.000 0.451 91 G N 0.372 109.548 108.800 0.626 0.000 2.820 91 G HA2 0.803 4.765 3.960 0.004 0.000 0.291 91 G HA3 0.803 4.765 3.960 0.004 0.000 0.291 91 G C -1.439 173.694 174.900 0.388 0.000 1.323 91 G CA -0.312 45.006 45.100 0.363 0.000 1.055 91 G HN 0.820 nan 8.290 nan 0.000 0.520 92 H N -1.967 117.122 119.070 0.032 0.000 3.046 92 H HA 0.517 5.076 4.556 0.004 0.000 0.361 92 H C -1.704 173.606 175.328 -0.031 0.000 1.235 92 H CA -1.214 54.844 56.048 0.016 0.000 1.146 92 H CB 1.154 30.916 29.762 0.001 0.000 1.859 92 H HN 0.389 nan 8.280 nan 0.000 0.548 93 I N 1.522 122.104 120.570 0.019 0.000 2.382 93 I HA 0.126 4.298 4.170 0.004 0.000 0.286 93 I C -0.091 176.023 176.117 -0.005 0.000 1.002 93 I CA -0.595 60.675 61.300 -0.051 0.000 1.135 93 I CB 1.854 39.831 38.000 -0.039 0.000 1.288 93 I HN 0.500 nan 8.210 nan 0.000 0.448 94 E N 6.667 126.847 120.200 -0.033 0.000 1.996 94 E HA 0.329 4.681 4.350 0.004 0.000 0.280 94 E C -0.994 175.602 176.600 -0.006 0.000 1.092 94 E CA -0.571 55.827 56.400 -0.003 0.000 0.862 94 E CB 0.427 30.121 29.700 -0.011 0.000 1.066 94 E HN 0.305 nan 8.360 nan 0.000 0.396 95 L N 3.606 124.833 121.223 0.006 0.000 2.456 95 L HA 0.197 4.539 4.340 0.004 0.000 0.272 95 L C 1.394 178.267 176.870 0.005 0.000 1.189 95 L CA 0.523 55.367 54.840 0.007 0.000 0.846 95 L CB 0.215 42.282 42.059 0.013 0.000 1.111 95 L HN 0.674 nan 8.230 nan 0.000 0.475 96 A N 2.446 125.270 122.820 0.006 0.000 1.823 96 A HA -0.026 4.296 4.320 0.004 0.000 0.214 96 A C 0.986 178.575 177.584 0.008 0.000 1.227 96 A CA 1.246 53.286 52.037 0.005 0.000 0.616 96 A CB -0.604 18.400 19.000 0.007 0.000 0.874 96 A HN 0.653 nan 8.150 nan 0.000 0.455 97 T N 1.634 116.195 114.554 0.012 0.000 2.795 97 T HA 0.515 4.867 4.350 0.004 0.000 0.282 97 T C -2.549 172.159 174.700 0.013 0.000 0.980 97 T CA -0.973 61.135 62.100 0.013 0.000 1.012 97 T CB 1.205 70.082 68.868 0.016 0.000 0.936 97 T HN 0.092 nan 8.240 nan 0.000 0.457 98 P HA 0.247 nan 4.420 nan 0.000 0.268 98 P C -1.012 176.286 177.300 -0.004 0.000 1.189 98 P CA 0.094 63.195 63.100 0.001 0.000 0.771 98 P CB 0.466 32.165 31.700 -0.002 0.000 0.822 99 A N 0.914 123.728 122.820 -0.011 0.000 2.504 99 A HA 0.895 5.217 4.320 0.004 0.000 0.285 99 A C -1.350 176.206 177.584 -0.048 0.000 1.261 99 A CA -0.143 51.886 52.037 -0.013 0.000 0.741 99 A CB 1.439 20.457 19.000 0.030 0.000 1.327 99 A HN 0.537 nan 8.150 nan 0.000 0.441 100 A N -0.790 121.999 122.820 -0.052 0.000 2.527 100 A HA 0.662 4.984 4.320 0.004 0.000 0.293 100 A C -0.973 176.624 177.584 0.021 0.000 1.117 100 A CA -0.583 51.422 52.037 -0.053 0.000 0.723 100 A CB 0.611 19.513 19.000 -0.163 0.000 1.313 100 A HN 0.935 nan 8.150 nan 0.000 0.411 101 H N 1.022 120.045 119.070 -0.078 0.000 3.046 101 H HA 0.092 4.650 4.556 0.003 0.000 0.303 101 H C 1.055 176.394 175.328 0.017 0.000 1.002 101 H CA 0.735 56.704 56.048 -0.133 0.000 1.460 101 H CB 0.963 30.438 29.762 -0.477 0.000 1.493 101 H HN 0.612 nan 8.280 nan 0.000 0.559 102 I N 4.632 125.440 120.570 0.397 0.000 2.830 102 I HA -0.180 3.992 4.170 0.004 0.000 0.263 102 I C 1.227 177.558 176.117 0.357 0.000 1.230 102 I CA 0.410 61.922 61.300 0.354 0.000 1.480 102 I CB 0.011 38.219 38.000 0.347 0.000 1.095 102 I HN 0.518 nan 8.210 nan 0.000 0.455 103 W N 0.629 121.921 121.300 -0.012 0.000 2.342 103 W HA -0.158 4.504 4.660 0.003 0.000 0.297 103 W C 1.954 178.606 176.519 0.221 0.000 1.213 103 W CA 1.586 58.865 57.345 -0.110 0.000 1.251 103 W CB -0.546 28.515 29.460 -0.667 0.000 1.136 103 W HN 0.126 nan 8.180 nan 0.000 0.526 104 F N -2.500 117.571 119.950 0.203 0.000 2.731 104 F HA 0.030 4.559 4.527 0.003 0.000 0.298 104 F C 1.611 177.493 175.800 0.136 0.000 1.106 104 F CA -0.185 57.903 58.000 0.147 0.000 1.329 104 F CB -0.079 39.016 39.000 0.158 0.000 1.100 104 F HN -0.361 nan 8.300 nan 0.000 0.592 105 V N -0.524 119.591 119.914 0.334 0.000 2.795 105 V HA -0.023 4.099 4.120 0.004 0.000 0.243 105 V C 1.653 177.864 176.094 0.196 0.000 1.069 105 V CA 1.085 63.545 62.300 0.268 0.000 1.089 105 V CB -0.074 31.901 31.823 0.254 0.000 0.756 105 V HN 0.070 nan 8.190 nan 0.000 0.471 106 K N -0.008 120.496 120.400 0.173 0.000 2.373 106 K HA 0.231 4.553 4.320 0.004 0.000 0.202 106 K C 0.161 176.773 176.600 0.020 0.000 1.025 106 K CA -0.128 56.224 56.287 0.108 0.000 1.115 106 K CB 0.085 32.670 32.500 0.141 0.000 0.858 106 K HN 0.353 nan 8.250 nan 0.000 0.525 107 D N 0.947 121.345 120.400 -0.003 0.000 2.382 107 D HA -0.034 4.608 4.640 0.004 0.000 0.240 107 D C 1.622 177.835 176.300 -0.146 0.000 1.146 107 D CA 0.037 53.944 54.000 -0.154 0.000 0.897 107 D CB 1.526 42.210 40.800 -0.192 0.000 1.197 107 D HN -0.252 nan 8.370 nan 0.000 0.432 108 V N 3.038 122.816 119.914 -0.228 0.000 2.222 108 V HA -0.189 3.933 4.120 0.004 0.000 0.252 108 V C -1.342 174.719 176.094 -0.055 0.000 1.060 108 V CA 1.365 63.592 62.300 -0.122 0.000 1.027 108 V CB -1.887 29.865 31.823 -0.118 0.000 0.644 108 V HN 0.649 nan 8.190 nan 0.000 0.448 109 P HA 0.258 nan 4.420 nan 0.000 0.288 109 P C -0.346 176.972 177.300 0.029 0.000 1.363 109 P CA 0.134 63.248 63.100 0.022 0.000 0.837 109 P CB 0.902 32.642 31.700 0.066 0.000 0.981 110 S N 3.234 118.954 115.700 0.032 0.000 2.643 110 S HA -0.045 4.427 4.470 0.004 0.000 0.329 110 S C 1.521 176.165 174.600 0.073 0.000 1.193 110 S CA -0.158 58.081 58.200 0.065 0.000 1.293 110 S CB -0.276 62.962 63.200 0.064 0.000 1.205 110 S HN 0.181 nan 8.310 nan 0.000 0.550 111 K N 4.174 124.620 120.400 0.078 0.000 2.286 111 K HA -0.125 4.197 4.320 0.004 0.000 0.203 111 K C 1.449 178.099 176.600 0.084 0.000 1.045 111 K CA 1.812 58.123 56.287 0.040 0.000 0.935 111 K CB -0.250 32.225 32.500 -0.041 0.000 0.737 111 K HN 0.811 nan 8.250 nan 0.000 0.460 112 I N -2.159 118.494 120.570 0.138 0.000 2.867 112 I HA 0.188 4.360 4.170 0.004 0.000 0.265 112 I C 1.691 177.882 176.117 0.123 0.000 1.162 112 I CA 1.182 62.576 61.300 0.156 0.000 1.471 112 I CB -0.088 38.044 38.000 0.220 0.000 1.123 112 I HN 0.023 nan 8.210 nan 0.000 0.440 113 G N -0.102 108.759 108.800 0.102 0.000 2.511 113 G HA2 -0.099 3.864 3.960 0.004 0.000 0.217 113 G HA3 -0.099 3.864 3.960 0.004 0.000 0.217 113 G C 1.346 176.267 174.900 0.036 0.000 1.133 113 G CA 1.096 46.228 45.100 0.053 0.000 0.792 113 G HN 0.433 nan 8.290 nan 0.000 0.539 114 T N 0.940 115.518 114.554 0.041 0.000 2.814 114 T HA 0.010 4.362 4.350 0.004 0.000 0.254 114 T C 2.274 176.994 174.700 0.033 0.000 1.037 114 T CA 0.824 62.941 62.100 0.028 0.000 1.143 114 T CB -0.241 68.640 68.868 0.021 0.000 0.866 114 T HN 0.167 nan 8.240 nan 0.000 0.431 115 L N 0.266 121.519 121.223 0.049 0.000 1.994 115 L HA 0.190 4.533 4.340 0.004 0.000 0.208 115 L C 0.829 177.729 176.870 0.049 0.000 1.071 115 L CA 1.249 56.127 54.840 0.062 0.000 0.745 115 L CB -0.166 41.960 42.059 0.111 0.000 0.892 115 L HN 0.200 nan 8.230 nan 0.000 0.431 116 L N 1.633 122.887 121.223 0.052 0.000 2.283 116 L HA 0.101 4.443 4.340 0.004 0.000 0.287 116 L C -0.508 176.379 176.870 0.027 0.000 1.073 116 L CA -0.372 54.491 54.840 0.039 0.000 0.822 116 L CB 0.655 42.745 42.059 0.053 0.000 1.186 116 L HN 0.216 nan 8.230 nan 0.000 0.436 117 D N 5.445 125.855 120.400 0.015 0.000 2.385 117 D HA 0.275 4.917 4.640 0.004 0.000 0.260 117 D C -0.698 175.600 176.300 -0.003 0.000 1.326 117 D CA 0.268 54.272 54.000 0.005 0.000 1.023 117 D CB 0.135 40.937 40.800 0.002 0.000 1.083 117 D HN 0.305 nan 8.370 nan 0.000 0.517 118 L N 1.460 122.678 121.223 -0.008 0.000 2.303 118 L HA 0.416 4.758 4.340 0.004 0.000 0.256 118 L C 0.345 177.190 176.870 -0.041 0.000 1.034 118 L CA -1.320 53.503 54.840 -0.028 0.000 0.832 118 L CB 1.794 43.832 42.059 -0.035 0.000 1.403 118 L HN -0.034 nan 8.230 nan 0.000 0.419 119 S N 1.134 116.797 115.700 -0.063 0.000 2.519 119 S HA 0.059 4.531 4.470 0.004 0.000 0.310 119 S C 1.286 175.845 174.600 -0.068 0.000 1.201 119 S CA 0.249 58.412 58.200 -0.063 0.000 1.179 119 S CB 0.695 63.850 63.200 -0.075 0.000 1.104 119 S HN 0.718 nan 8.310 nan 0.000 0.527 120 A N 4.082 126.878 122.820 -0.040 0.000 1.984 120 A HA -0.302 4.020 4.320 0.004 0.000 0.224 120 A C 2.263 179.825 177.584 -0.037 0.000 1.256 120 A CA 2.800 54.822 52.037 -0.025 0.000 0.679 120 A CB -1.009 17.983 19.000 -0.012 0.000 0.829 120 A HN 0.849 nan 8.150 nan 0.000 0.483 121 T N -5.745 108.778 114.554 -0.052 0.000 2.980 121 T HA 0.264 4.616 4.350 0.004 0.000 0.252 121 T C 1.461 176.108 174.700 -0.087 0.000 0.962 121 T CA 0.868 62.935 62.100 -0.054 0.000 0.932 121 T CB 0.129 68.981 68.868 -0.027 0.000 1.188 121 T HN 0.399 nan 8.240 nan 0.000 0.500 122 E N 0.557 120.701 120.200 -0.093 0.000 2.099 122 E HA 0.266 4.618 4.350 0.004 0.000 0.191 122 E C 1.831 178.334 176.600 -0.162 0.000 0.962 122 E CA 0.166 56.502 56.400 -0.106 0.000 0.826 122 E CB -0.218 29.433 29.700 -0.081 0.000 0.788 122 E HN 0.190 nan 8.360 nan 0.000 0.461 123 L N 1.477 122.602 121.223 -0.163 0.000 2.081 123 L HA -0.186 4.156 4.340 0.004 0.000 0.212 123 L C 2.034 178.711 176.870 -0.323 0.000 1.080 123 L CA 1.631 56.354 54.840 -0.194 0.000 0.754 123 L CB -0.547 41.426 42.059 -0.144 0.000 0.893 123 L HN 0.155 nan 8.230 nan 0.000 0.433 124 E N -0.875 119.057 120.200 -0.446 0.000 2.007 124 E HA -0.253 4.099 4.350 0.004 0.000 0.194 124 E C 2.235 178.218 176.600 -1.028 0.000 0.999 124 E CA 1.072 56.866 56.400 -1.009 0.000 0.811 124 E CB -0.467 28.785 29.700 -0.747 0.000 0.762 124 E HN 0.357 nan 8.360 nan 0.000 0.450 125 Q N 0.205 119.703 119.800 -0.505 0.000 2.297 125 Q HA -0.105 4.237 4.340 0.004 0.000 0.208 125 Q C 1.954 177.881 176.000 -0.123 0.000 0.981 125 Q CA 0.747 56.391 55.803 -0.264 0.000 0.876 125 Q CB -0.157 28.554 28.738 -0.046 0.000 0.921 125 Q HN 0.114 nan 8.270 nan 0.000 0.446 126 V N -0.138 119.679 119.914 -0.162 0.000 2.216 126 V HA -0.280 3.842 4.120 0.004 0.000 0.243 126 V C 1.876 178.111 176.094 0.235 0.000 1.044 126 V CA 2.029 64.287 62.300 -0.070 0.000 0.995 126 V CB -0.708 30.981 31.823 -0.223 0.000 0.633 126 V HN 0.433 nan 8.190 nan 0.000 0.446 127 L N -1.658 119.657 121.223 0.153 0.000 2.131 127 L HA 0.008 4.351 4.340 0.004 0.000 0.206 127 L C 2.249 179.269 176.870 0.250 0.000 1.087 127 L CA 1.298 56.321 54.840 0.304 0.000 0.767 127 L CB -1.929 40.246 42.059 0.192 0.000 0.917 127 L HN 0.289 nan 8.230 nan 0.000 0.441 128 Y N 0.132 120.403 120.300 -0.047 0.000 1.993 128 Y HA -0.318 4.234 4.550 0.004 0.000 0.267 128 Y C 2.484 178.341 175.900 -0.070 0.000 1.155 128 Y CA 1.715 59.696 58.100 -0.199 0.000 1.105 128 Y CB -0.585 37.528 38.460 -0.578 0.000 0.960 128 Y HN 0.115 nan 8.280 nan 0.000 0.486 129 F N -1.280 118.839 119.950 0.281 0.000 2.335 129 F HA -0.066 4.463 4.527 0.003 0.000 0.296 129 F C 2.021 177.894 175.800 0.122 0.000 1.091 129 F CA 0.103 58.206 58.000 0.171 0.000 1.399 129 F CB -0.014 39.077 39.000 0.152 0.000 1.067 129 F HN -0.067 nan 8.300 nan 0.000 0.520 130 S N -0.395 115.492 115.700 0.311 0.000 2.448 130 S HA 0.257 4.729 4.470 0.004 0.000 0.271 130 S C 0.194 174.709 174.600 -0.141 0.000 1.145 130 S CA -0.520 57.764 58.200 0.140 0.000 1.022 130 S CB 0.674 64.069 63.200 0.325 0.000 1.202 130 S HN -0.148 nan 8.310 nan 0.000 0.479 131 K N 1.576 121.582 120.400 -0.656 0.000 2.526 131 K HA 0.322 4.644 4.320 0.004 0.000 0.214 131 K C -1.741 174.126 176.600 -1.223 0.000 1.088 131 K CA -0.022 55.845 56.287 -0.700 0.000 1.058 131 K CB -0.225 32.014 32.500 -0.436 0.000 1.653 131 K HN 0.499 nan 8.250 nan 0.000 0.521 132 Y N 0.274 120.590 120.300 0.026 0.000 2.693 132 Y HA 0.590 5.142 4.550 0.003 0.000 0.331 132 Y C 0.460 176.324 175.900 -0.060 0.000 1.092 132 Y CA -1.269 56.823 58.100 -0.014 0.000 1.131 132 Y CB 1.379 39.829 38.460 -0.018 0.000 1.318 132 Y HN 0.054 nan 8.280 nan 0.000 0.510 133 I N 0.408 121.009 120.570 0.052 0.000 2.994 133 I HA 0.723 4.895 4.170 0.004 0.000 0.306 133 I C -1.439 174.632 176.117 -0.077 0.000 1.195 133 I CA -1.455 59.784 61.300 -0.101 0.000 1.001 133 I CB 2.351 40.142 38.000 -0.349 0.000 1.244 133 I HN 0.301 nan 8.210 nan 0.000 0.437 134 V N 1.516 121.378 119.914 -0.088 0.000 2.638 134 V HA 0.569 4.691 4.120 0.004 0.000 0.306 134 V C -0.732 175.317 176.094 -0.074 0.000 1.052 134 V CA -0.797 61.467 62.300 -0.060 0.000 0.885 134 V CB 1.726 33.536 31.823 -0.021 0.000 0.999 134 V HN 0.731 nan 8.190 nan 0.000 0.424 135 L N 2.957 124.142 121.223 -0.062 0.000 2.315 135 L HA 0.390 4.732 4.340 0.004 0.000 0.283 135 L C 1.141 177.996 176.870 -0.025 0.000 1.089 135 L CA 0.318 55.130 54.840 -0.047 0.000 0.833 135 L CB 1.064 43.104 42.059 -0.032 0.000 1.170 135 L HN 0.982 nan 8.230 nan 0.000 0.442 136 D N 4.685 125.074 120.400 -0.018 0.000 2.096 136 D HA 0.005 4.647 4.640 0.004 0.000 0.207 136 D C -1.230 175.067 176.300 -0.006 0.000 0.976 136 D CA 1.206 55.200 54.000 -0.010 0.000 0.875 136 D CB -0.263 40.534 40.800 -0.005 0.000 1.009 136 D HN 0.397 nan 8.370 nan 0.000 0.449 137 P HA 0.154 nan 4.420 nan 0.000 0.207 137 P C -0.608 176.689 177.300 -0.005 0.000 1.169 137 P CA 0.916 64.015 63.100 -0.002 0.000 0.900 137 P CB 0.095 31.796 31.700 0.002 0.000 0.747 138 K N -0.372 120.029 120.400 0.001 0.000 2.426 138 K HA 0.711 5.033 4.320 0.004 0.000 0.251 138 K C -0.766 175.840 176.600 0.010 0.000 0.941 138 K CA -0.883 55.401 56.287 -0.005 0.000 0.808 138 K CB 1.905 34.395 32.500 -0.017 0.000 1.265 138 K HN 0.155 nan 8.250 nan 0.000 0.432 139 G N 0.927 109.729 108.800 0.003 0.000 3.829 139 G HA2 0.433 4.395 3.960 0.004 0.000 0.289 139 G HA3 0.433 4.395 3.960 0.004 0.000 0.289 139 G C 0.602 175.504 174.900 0.003 0.000 1.274 139 G CA -0.096 45.019 45.100 0.024 0.000 0.698 139 G HN 0.723 nan 8.290 nan 0.000 0.488 140 A N 1.583 124.384 122.820 -0.032 0.000 1.906 140 A HA -0.147 4.175 4.320 0.004 0.000 0.222 140 A C 1.420 178.985 177.584 -0.032 0.000 1.282 140 A CA 1.166 53.151 52.037 -0.087 0.000 0.675 140 A CB -0.539 18.324 19.000 -0.229 0.000 0.838 140 A HN 0.644 nan 8.150 nan 0.000 0.469 141 I N -0.125 120.455 120.570 0.016 0.000 3.003 141 I HA 0.055 4.227 4.170 0.004 0.000 0.294 141 I C 0.569 176.698 176.117 0.020 0.000 1.237 141 I CA 0.606 61.924 61.300 0.031 0.000 1.417 141 I CB 0.019 38.053 38.000 0.056 0.000 1.340 141 I HN 0.287 nan 8.210 nan 0.000 0.594 142 L N 4.974 126.209 121.223 0.021 0.000 2.365 142 L HA 0.480 4.822 4.340 0.004 0.000 0.267 142 L C 1.135 178.020 176.870 0.024 0.000 1.033 142 L CA -0.672 54.178 54.840 0.017 0.000 0.802 142 L CB 0.569 42.636 42.059 0.014 0.000 1.267 142 L HN 0.743 nan 8.230 nan 0.000 0.457 143 N N -0.620 118.092 118.700 0.021 0.000 2.382 143 N HA 0.117 4.859 4.740 0.004 0.000 0.200 143 N C 0.824 176.346 175.510 0.021 0.000 1.122 143 N CA 0.861 53.925 53.050 0.024 0.000 0.870 143 N CB 1.990 40.490 38.487 0.021 0.000 1.176 143 N HN 0.831 nan 8.380 nan 0.000 0.474 144 G N 0.188 108.998 108.800 0.017 0.000 3.751 144 G HA2 0.051 4.013 3.960 0.004 0.000 0.216 144 G HA3 0.051 4.013 3.960 0.004 0.000 0.216 144 G C -0.769 174.137 174.900 0.010 0.000 0.911 144 G CA 0.207 45.316 45.100 0.015 0.000 0.869 144 G HN 0.198 nan 8.290 nan 0.000 0.462 145 V N 2.528 122.446 119.914 0.008 0.000 3.046 145 V HA 0.751 4.873 4.120 0.004 0.000 0.316 145 V C -1.932 174.162 176.094 0.001 0.000 1.104 145 V CA -2.180 60.122 62.300 0.003 0.000 1.006 145 V CB 2.578 34.402 31.823 0.002 0.000 1.058 145 V HN 0.089 nan 8.190 nan 0.000 0.440 146 P HA -0.028 nan 4.420 nan 0.000 0.272 146 P C -0.191 177.104 177.300 -0.008 0.000 1.243 146 P CA 0.357 63.452 63.100 -0.010 0.000 0.803 146 P CB 0.260 31.951 31.700 -0.015 0.000 0.974 147 V N -0.380 119.527 119.914 -0.012 0.000 2.557 147 V HA -0.038 4.085 4.120 0.004 0.000 0.301 147 V C 0.208 176.296 176.094 -0.010 0.000 1.026 147 V CA 0.189 62.484 62.300 -0.009 0.000 1.137 147 V CB -0.829 30.985 31.823 -0.015 0.000 0.917 147 V HN 0.289 nan 8.190 nan 0.000 0.484 148 E N 5.059 125.254 120.200 -0.008 0.000 2.129 148 E HA 0.255 4.607 4.350 0.004 0.000 0.283 148 E C 0.943 177.536 176.600 -0.013 0.000 1.080 148 E CA -0.118 56.275 56.400 -0.011 0.000 0.867 148 E CB 1.420 31.114 29.700 -0.011 0.000 1.056 148 E HN 0.904 nan 8.360 nan 0.000 0.404 149 K N 3.207 123.599 120.400 -0.013 0.000 2.074 149 K HA -0.180 4.142 4.320 0.004 0.000 0.209 149 K C 1.422 178.014 176.600 -0.014 0.000 1.048 149 K CA 1.503 57.782 56.287 -0.014 0.000 0.926 149 K CB 0.098 32.590 32.500 -0.013 0.000 0.713 149 K HN 0.196 nan 8.250 nan 0.000 0.444 150 R N -0.711 119.780 120.500 -0.014 0.000 2.544 150 R HA 0.194 4.536 4.340 0.004 0.000 0.303 150 R C 0.052 176.343 176.300 -0.015 0.000 0.939 150 R CA -0.178 55.914 56.100 -0.013 0.000 1.102 150 R CB 0.632 30.926 30.300 -0.010 0.000 1.440 150 R HN 0.233 nan 8.270 nan 0.000 0.532 151 Q N 0.825 120.615 119.800 -0.017 0.000 2.584 151 Q HA 0.237 4.579 4.340 0.004 0.000 0.218 151 Q C -0.606 175.379 176.000 -0.025 0.000 1.079 151 Q CA 0.324 56.115 55.803 -0.019 0.000 1.008 151 Q CB 0.651 29.379 28.738 -0.017 0.000 1.267 151 Q HN 0.200 nan 8.270 nan 0.000 0.586 152 L N 0.920 122.128 121.223 -0.025 0.000 2.354 152 L HA 0.686 5.028 4.340 0.004 0.000 0.269 152 L C -1.060 175.797 176.870 -0.023 0.000 1.005 152 L CA -1.423 53.400 54.840 -0.029 0.000 0.819 152 L CB 1.087 43.133 42.059 -0.021 0.000 1.311 152 L HN 0.419 nan 8.230 nan 0.000 0.423 153 L N -0.890 120.317 121.223 -0.027 0.000 2.277 153 L HA 0.786 5.128 4.340 0.004 0.000 0.254 153 L C -0.050 176.848 176.870 0.046 0.000 1.044 153 L CA -0.863 53.977 54.840 0.001 0.000 0.842 153 L CB 0.976 43.036 42.059 0.001 0.000 1.422 153 L HN 0.654 nan 8.230 nan 0.000 0.422 154 T N -1.464 113.147 114.554 0.096 0.000 2.918 154 T HA 0.284 4.636 4.350 0.004 0.000 0.283 154 T C 0.538 175.365 174.700 0.212 0.000 1.001 154 T CA 0.112 62.327 62.100 0.192 0.000 1.041 154 T CB 0.771 69.735 68.868 0.159 0.000 1.028 154 T HN 0.740 nan 8.240 nan 0.000 0.511 155 D N 0.820 121.368 120.400 0.246 0.000 2.182 155 D HA -0.087 4.555 4.640 0.004 0.000 0.201 155 D C 1.900 178.319 176.300 0.198 0.000 0.986 155 D CA 1.137 55.291 54.000 0.257 0.000 0.847 155 D CB 0.275 41.171 40.800 0.160 0.000 0.942 155 D HN 0.550 nan 8.370 nan 0.000 0.467 156 E N 0.470 120.765 120.200 0.157 0.000 2.017 156 E HA -0.187 4.165 4.350 0.004 0.000 0.193 156 E C 2.047 178.705 176.600 0.098 0.000 0.997 156 E CA 1.047 57.515 56.400 0.114 0.000 0.804 156 E CB -0.480 29.281 29.700 0.102 0.000 0.757 156 E HN 0.342 nan 8.360 nan 0.000 0.448 157 E N -0.120 120.144 120.200 0.107 0.000 2.347 157 E HA -0.109 4.243 4.350 0.004 0.000 0.196 157 E C 1.628 178.293 176.600 0.107 0.000 1.008 157 E CA 0.289 56.740 56.400 0.086 0.000 0.852 157 E CB -0.226 29.520 29.700 0.077 0.000 0.783 157 E HN 0.267 nan 8.360 nan 0.000 0.505 158 Y N 1.301 121.587 120.300 -0.023 0.000 2.365 158 Y HA 0.001 4.553 4.550 0.004 0.000 0.293 158 Y C 2.013 177.839 175.900 -0.123 0.000 1.119 158 Y CA 1.187 59.255 58.100 -0.054 0.000 1.203 158 Y CB -0.011 38.437 38.460 -0.021 0.000 1.026 158 Y HN -0.031 nan 8.280 nan 0.000 0.549 159 R N 0.253 120.667 120.500 -0.143 0.000 2.066 159 R HA -0.160 4.182 4.340 0.004 0.000 0.232 159 R C 1.931 177.853 176.300 -0.630 0.000 1.131 159 R CA 1.949 57.864 56.100 -0.308 0.000 0.955 159 R CB -0.858 29.422 30.300 -0.034 0.000 0.851 159 R HN 0.326 nan 8.270 nan 0.000 0.432 160 E N 0.654 120.659 120.200 -0.325 0.000 2.118 160 E HA -0.184 4.168 4.350 0.004 0.000 0.195 160 E C 2.050 178.370 176.600 -0.468 0.000 0.992 160 E CA 1.455 57.688 56.400 -0.278 0.000 0.804 160 E CB -0.057 29.647 29.700 0.007 0.000 0.741 160 E HN 0.402 nan 8.360 nan 0.000 0.458 161 L N 0.235 121.255 121.223 -0.338 0.000 2.131 161 L HA -0.106 4.236 4.340 0.004 0.000 0.206 161 L C 2.577 179.275 176.870 -0.286 0.000 1.087 161 L CA 0.862 55.578 54.840 -0.207 0.000 0.767 161 L CB -0.034 41.987 42.059 -0.063 0.000 0.917 161 L HN 0.009 nan 8.230 nan 0.000 0.441 162 R N -0.793 119.422 120.500 -0.474 0.000 2.055 162 R HA -0.193 4.150 4.340 0.004 0.000 0.228 162 R C 2.462 178.620 176.300 -0.238 0.000 1.143 162 R CA 1.922 57.819 56.100 -0.339 0.000 0.945 162 R CB -0.513 29.556 30.300 -0.385 0.000 0.841 162 R HN 0.479 nan 8.270 nan 0.000 0.429 163 Y N -0.207 120.041 120.300 -0.086 0.000 2.365 163 Y HA 0.061 4.613 4.550 0.004 0.000 0.287 163 Y C 1.873 177.750 175.900 -0.039 0.000 1.162 163 Y CA 0.208 58.265 58.100 -0.072 0.000 1.260 163 Y CB -1.655 36.750 38.460 -0.092 0.000 0.976 163 Y HN 0.201 nan 8.280 nan 0.000 0.548 164 G N 0.985 109.862 108.800 0.128 0.000 3.376 164 G HA2 -0.493 3.469 3.960 0.004 0.000 0.310 164 G HA3 -0.493 3.469 3.960 0.004 0.000 0.310 164 G C 1.490 176.467 174.900 0.127 0.000 1.137 164 G CA 2.473 47.647 45.100 0.122 0.000 1.061 164 G HN 0.434 nan 8.290 nan 0.000 1.152 165 K N -0.513 119.941 120.400 0.090 0.000 2.054 165 K HA 0.215 4.537 4.320 0.004 0.000 0.207 165 K C 1.660 178.311 176.600 0.085 0.000 1.031 165 K CA 0.436 56.776 56.287 0.088 0.000 0.952 165 K CB -0.160 32.383 32.500 0.072 0.000 0.775 165 K HN 0.270 nan 8.250 nan 0.000 0.447 166 Q N 2.124 121.961 119.800 0.062 0.000 2.324 166 Q HA 0.048 4.390 4.340 0.004 0.000 0.257 166 Q C -1.187 174.845 176.000 0.052 0.000 1.080 166 Q CA 0.479 56.316 55.803 0.056 0.000 0.907 166 Q CB 0.442 29.201 28.738 0.035 0.000 1.274 166 Q HN 0.221 nan 8.270 nan 0.000 0.434 167 E N 1.687 121.922 120.200 0.058 0.000 2.234 167 E HA 0.363 4.715 4.350 0.004 0.000 0.266 167 E C -1.014 175.550 176.600 -0.060 0.000 0.877 167 E CA -0.593 55.788 56.400 -0.030 0.000 0.758 167 E CB 1.771 31.450 29.700 -0.035 0.000 1.170 167 E HN 0.191 nan 8.360 nan 0.000 0.415 168 T N 2.148 116.606 114.554 -0.160 0.000 2.837 168 T HA 0.320 4.672 4.350 0.004 0.000 0.285 168 T C -1.124 173.412 174.700 -0.274 0.000 0.984 168 T CA -0.298 61.739 62.100 -0.106 0.000 1.049 168 T CB 0.188 69.018 68.868 -0.064 0.000 0.947 168 T HN 0.293 nan 8.240 nan 0.000 0.472 169 Y N 3.511 123.782 120.300 -0.048 0.000 2.338 169 Y HA 0.357 4.909 4.550 0.004 0.000 0.328 169 Y C -2.271 173.588 175.900 -0.069 0.000 0.965 169 Y CA -2.512 55.552 58.100 -0.060 0.000 1.208 169 Y CB 1.439 39.864 38.460 -0.058 0.000 1.132 169 Y HN 0.470 nan 8.280 nan 0.000 0.469 170 P HA 0.224 nan 4.420 nan 0.000 0.275 170 P C -0.846 176.460 177.300 0.009 0.000 1.228 170 P CA -0.115 62.986 63.100 0.003 0.000 0.786 170 P CB 0.940 32.626 31.700 -0.024 0.000 0.927 171 L N 4.870 126.082 121.223 -0.019 0.000 2.325 171 L HA 0.415 4.757 4.340 0.004 0.000 0.281 171 L C -1.957 174.902 176.870 -0.018 0.000 1.004 171 L CA -2.324 52.502 54.840 -0.023 0.000 0.823 171 L CB 1.845 43.872 42.059 -0.054 0.000 1.236 171 L HN 0.258 nan 8.230 nan 0.000 0.415 172 P HA 0.042 nan 4.420 nan 0.000 0.264 172 P C -2.524 174.772 177.300 -0.007 0.000 1.179 172 P CA -0.759 62.335 63.100 -0.009 0.000 0.763 172 P CB -0.345 31.352 31.700 -0.005 0.000 0.806 173 P HA -0.056 nan 4.420 nan 0.000 0.265 173 P C 0.984 178.287 177.300 0.005 0.000 1.187 173 P CA 1.059 64.158 63.100 -0.001 0.000 0.766 173 P CB 0.023 31.720 31.700 -0.005 0.000 0.820 174 G N 1.050 109.857 108.800 0.013 0.000 2.179 174 G HA2 -0.210 3.752 3.960 0.004 0.000 0.260 174 G HA3 -0.210 3.752 3.960 0.004 0.000 0.260 174 G C -0.025 174.886 174.900 0.019 0.000 0.977 174 G CA 0.051 45.161 45.100 0.016 0.000 0.641 174 G HN 0.576 nan 8.290 nan 0.000 0.533 175 V N 2.821 122.745 119.914 0.017 0.000 2.439 175 V HA 0.511 4.633 4.120 0.004 0.000 0.282 175 V C 0.275 176.387 176.094 0.031 0.000 1.039 175 V CA -0.427 61.884 62.300 0.018 0.000 0.913 175 V CB 1.739 33.566 31.823 0.007 0.000 0.983 175 V HN 0.490 nan 8.190 nan 0.000 0.460 176 D N 4.329 124.754 120.400 0.042 0.000 2.225 176 D HA 0.544 5.186 4.640 0.004 0.000 0.249 176 D C -0.034 176.307 176.300 0.069 0.000 1.052 176 D CA -0.325 53.719 54.000 0.072 0.000 0.909 176 D CB 2.255 43.093 40.800 0.063 0.000 1.186 176 D HN 0.565 nan 8.370 nan 0.000 0.431 177 A N 1.959 124.854 122.820 0.125 0.000 2.257 177 A HA 0.376 4.698 4.320 0.004 0.000 0.289 177 A C 0.562 178.198 177.584 0.088 0.000 1.095 177 A CA -0.667 51.432 52.037 0.103 0.000 0.836 177 A CB 0.687 19.786 19.000 0.165 0.000 1.111 177 A HN 0.594 nan 8.150 nan 0.000 0.497 178 L N 1.126 122.381 121.223 0.053 0.000 2.872 178 L HA 0.306 4.648 4.340 0.004 0.000 0.245 178 L C -0.592 176.298 176.870 0.033 0.000 1.211 178 L CA 0.738 55.597 54.840 0.032 0.000 1.013 178 L CB -0.370 41.693 42.059 0.008 0.000 1.326 178 L HN 0.426 nan 8.230 nan 0.000 0.525 179 V N 0.237 120.192 119.914 0.069 0.000 3.007 179 V HA 0.394 4.516 4.120 0.004 0.000 0.311 179 V C -0.359 175.787 176.094 0.086 0.000 1.120 179 V CA -1.127 61.212 62.300 0.065 0.000 0.980 179 V CB 2.881 34.742 31.823 0.063 0.000 1.033 179 V HN 0.131 nan 8.190 nan 0.000 0.429 180 K N 1.211 121.622 120.400 0.020 0.000 2.098 180 K HA 0.324 4.646 4.320 0.004 0.000 0.257 180 K C 0.781 177.347 176.600 -0.056 0.000 0.999 180 K CA -0.543 55.706 56.287 -0.063 0.000 0.924 180 K CB 0.858 33.315 32.500 -0.073 0.000 1.028 180 K HN 0.656 nan 8.250 nan 0.000 0.466 181 D N 1.188 121.450 120.400 -0.230 0.000 2.248 181 D HA -0.199 4.444 4.640 0.004 0.000 0.191 181 D C 0.739 177.045 176.300 0.009 0.000 1.013 181 D CA 2.294 56.192 54.000 -0.170 0.000 0.883 181 D CB -0.090 40.577 40.800 -0.223 0.000 0.915 181 D HN 0.814 nan 8.370 nan 0.000 0.448 182 G N -0.186 108.600 108.800 -0.023 0.000 4.867 182 G HA2 0.102 4.064 3.960 0.004 0.000 0.258 182 G HA3 0.102 4.064 3.960 0.004 0.000 0.258 182 G C -0.298 174.591 174.900 -0.018 0.000 0.999 182 G CA -0.339 44.752 45.100 -0.015 0.000 0.797 182 G HN 0.289 nan 8.290 nan 0.000 0.505 183 E N 0.889 121.087 120.200 -0.004 0.000 2.390 183 E HA 0.141 4.493 4.350 0.004 0.000 0.261 183 E C -0.523 176.075 176.600 -0.002 0.000 1.076 183 E CA -0.239 56.157 56.400 -0.006 0.000 0.905 183 E CB 0.887 30.587 29.700 -0.000 0.000 0.984 183 E HN 0.242 nan 8.360 nan 0.000 0.427 184 E N 1.813 122.010 120.200 -0.006 0.000 2.299 184 E HA 0.143 4.495 4.350 0.004 0.000 0.272 184 E C -0.956 175.643 176.600 -0.002 0.000 1.043 184 E CA -0.232 56.166 56.400 -0.004 0.000 0.895 184 E CB 1.248 30.947 29.700 -0.002 0.000 1.011 184 E HN 0.187 nan 8.360 nan 0.000 0.432 185 V N 4.304 124.217 119.914 -0.002 0.000 2.555 185 V HA 0.349 4.471 4.120 0.004 0.000 0.302 185 V C 0.043 176.133 176.094 -0.007 0.000 1.038 185 V CA -0.840 61.454 62.300 -0.011 0.000 0.887 185 V CB 1.823 33.633 31.823 -0.022 0.000 0.991 185 V HN 0.375 nan 8.190 nan 0.000 0.434 186 V N 2.861 122.768 119.914 -0.010 0.000 2.850 186 V HA 0.418 4.540 4.120 0.004 0.000 0.315 186 V C 0.228 176.317 176.094 -0.009 0.000 1.064 186 V CA -1.239 61.059 62.300 -0.002 0.000 0.979 186 V CB 1.966 33.790 31.823 0.001 0.000 1.039 186 V HN 0.884 nan 8.190 nan 0.000 0.452 187 K N 1.586 121.989 120.400 0.005 0.000 2.430 187 K HA 0.316 4.638 4.320 0.004 0.000 0.280 187 K C 1.018 177.616 176.600 -0.003 0.000 1.063 187 K CA 1.255 57.547 56.287 0.008 0.000 1.071 187 K CB -0.351 32.164 32.500 0.026 0.000 0.899 187 K HN 1.087 nan 8.250 nan 0.000 0.473 188 G N 2.475 111.264 108.800 -0.019 0.000 2.195 188 G HA2 -0.277 3.685 3.960 0.004 0.000 0.224 188 G HA3 -0.277 3.685 3.960 0.004 0.000 0.224 188 G C -0.020 174.856 174.900 -0.040 0.000 0.990 188 G CA 0.018 45.105 45.100 -0.023 0.000 0.639 188 G HN 0.636 nan 8.290 nan 0.000 0.514 189 Q N 1.019 120.789 119.800 -0.051 0.000 2.327 189 Q HA 0.363 4.705 4.340 0.004 0.000 0.254 189 Q C -0.108 175.841 176.000 -0.086 0.000 0.952 189 Q CA -0.145 55.626 55.803 -0.054 0.000 0.884 189 Q CB 0.318 29.029 28.738 -0.045 0.000 1.224 189 Q HN 0.566 nan 8.270 nan 0.000 0.422 190 E N 4.143 124.303 120.200 -0.067 0.000 2.166 190 E HA 0.009 4.361 4.350 0.004 0.000 0.279 190 E C 0.312 176.864 176.600 -0.081 0.000 1.095 190 E CA -0.063 56.292 56.400 -0.076 0.000 0.888 190 E CB 0.630 30.303 29.700 -0.045 0.000 1.041 190 E HN 0.582 nan 8.360 nan 0.000 0.414 191 L N 2.269 123.415 121.223 -0.128 0.000 2.591 191 L HA 0.199 4.541 4.340 0.004 0.000 0.228 191 L C 0.418 177.250 176.870 -0.063 0.000 1.133 191 L CA 0.119 54.894 54.840 -0.110 0.000 0.880 191 L CB 0.107 42.047 42.059 -0.197 0.000 1.033 191 L HN 0.616 nan 8.230 nan 0.000 0.450 192 A N -1.604 121.183 122.820 -0.057 0.000 2.522 192 A HA 0.364 4.686 4.320 0.004 0.000 0.294 192 A C -2.194 175.375 177.584 -0.025 0.000 1.001 192 A CA -0.711 51.309 52.037 -0.028 0.000 0.642 192 A CB 0.029 19.011 19.000 -0.031 0.000 1.326 192 A HN -0.174 nan 8.150 nan 0.000 0.435 193 P HA -0.196 nan 4.420 nan 0.000 0.217 193 P C 1.372 178.665 177.300 -0.012 0.000 1.158 193 P CA 2.691 65.785 63.100 -0.010 0.000 0.887 193 P CB 0.041 31.739 31.700 -0.003 0.000 0.792 194 G N -0.697 108.096 108.800 -0.011 0.000 2.608 194 G HA2 0.120 4.082 3.960 0.004 0.000 0.210 194 G HA3 0.120 4.082 3.960 0.004 0.000 0.210 194 G C 0.536 175.432 174.900 -0.007 0.000 1.139 194 G CA 0.014 45.110 45.100 -0.006 0.000 0.812 194 G HN 0.188 nan 8.290 nan 0.000 0.529 195 V N 0.920 120.822 119.914 -0.020 0.000 2.649 195 V HA 0.506 4.629 4.120 0.004 0.000 0.292 195 V C -0.248 175.774 176.094 -0.120 0.000 1.055 195 V CA -0.431 61.846 62.300 -0.039 0.000 1.023 195 V CB 1.681 33.474 31.823 -0.049 0.000 0.992 195 V HN -0.044 nan 8.190 nan 0.000 0.480 196 V N 2.926 122.732 119.914 -0.179 0.000 2.668 196 V HA 0.321 4.444 4.120 0.004 0.000 0.304 196 V C -0.028 175.835 176.094 -0.385 0.000 1.071 196 V CA -0.515 61.659 62.300 -0.210 0.000 0.894 196 V CB 2.373 34.146 31.823 -0.083 0.000 1.008 196 V HN 0.917 nan 8.190 nan 0.000 0.425 197 S N 3.470 118.925 115.700 -0.408 0.000 2.572 197 S HA 0.244 4.716 4.470 0.004 0.000 0.279 197 S C 0.949 175.488 174.600 -0.102 0.000 1.341 197 S CA -0.270 57.686 58.200 -0.408 0.000 1.043 197 S CB 0.773 63.826 63.200 -0.244 0.000 0.887 197 S HN 0.758 nan 8.310 nan 0.000 0.516 198 R N 0.776 121.316 120.500 0.067 0.000 2.437 198 R HA 0.407 4.749 4.340 0.004 0.000 0.257 198 R C -0.855 175.508 176.300 0.105 0.000 0.927 198 R CA 0.129 56.301 56.100 0.120 0.000 1.078 198 R CB 0.159 30.578 30.300 0.198 0.000 1.161 198 R HN 0.543 nan 8.270 nan 0.000 0.529 199 L N -0.132 121.145 121.223 0.091 0.000 2.540 199 L HA 0.312 4.654 4.340 0.004 0.000 0.256 199 L C -1.122 175.781 176.870 0.055 0.000 1.001 199 L CA -0.753 54.136 54.840 0.081 0.000 0.843 199 L CB 2.359 44.483 42.059 0.109 0.000 1.436 199 L HN -0.087 nan 8.230 nan 0.000 0.410 200 D N 0.782 121.212 120.400 0.050 0.000 2.362 200 D HA 0.585 5.227 4.640 0.004 0.000 0.242 200 D C 0.201 176.527 176.300 0.043 0.000 1.132 200 D CA 1.185 55.208 54.000 0.038 0.000 0.907 200 D CB 1.590 42.414 40.800 0.039 0.000 1.195 200 D HN 0.763 nan 8.370 nan 0.000 0.429 201 G N -0.289 108.529 108.800 0.031 0.000 2.350 201 G HA2 0.133 4.095 3.960 0.004 0.000 0.276 201 G HA3 0.133 4.095 3.960 0.004 0.000 0.276 201 G C -1.666 173.242 174.900 0.013 0.000 1.313 201 G CA -0.678 44.439 45.100 0.028 0.000 0.903 201 G HN 0.416 nan 8.290 nan 0.000 0.490 202 V N 1.033 120.951 119.914 0.007 0.000 2.459 202 V HA 0.697 4.819 4.120 0.004 0.000 0.295 202 V C 0.749 176.854 176.094 0.019 0.000 1.029 202 V CA 0.013 62.312 62.300 -0.002 0.000 0.874 202 V CB 1.271 33.072 31.823 -0.035 0.000 0.985 202 V HN 1.703 nan 8.190 nan 0.000 0.438 203 A N 6.999 129.836 122.820 0.029 0.000 2.347 203 A HA 0.692 5.014 4.320 0.004 0.000 0.287 203 A C -0.502 177.139 177.584 0.095 0.000 1.199 203 A CA -0.100 51.972 52.037 0.058 0.000 0.851 203 A CB -0.195 18.842 19.000 0.062 0.000 1.118 203 A HN 0.779 nan 8.150 nan 0.000 0.525 204 L N 2.340 123.622 121.223 0.099 0.000 2.334 204 L HA 0.413 4.755 4.340 0.004 0.000 0.276 204 L C -0.841 176.139 176.870 0.183 0.000 1.014 204 L CA -0.811 54.102 54.840 0.122 0.000 0.815 204 L CB 1.327 43.424 42.059 0.062 0.000 1.268 204 L HN 0.635 nan 8.230 nan 0.000 0.428 205 Y N 2.412 122.711 120.300 -0.002 0.000 2.308 205 Y HA 0.312 4.864 4.550 0.004 0.000 0.329 205 Y C 0.220 176.125 175.900 0.009 0.000 1.111 205 Y CA -0.435 57.672 58.100 0.012 0.000 1.179 205 Y CB 0.990 39.450 38.460 0.000 0.000 1.201 205 Y HN 0.319 nan 8.280 nan 0.000 0.483 206 R N 5.300 125.853 120.500 0.087 0.000 2.239 206 R HA 0.269 4.611 4.340 0.004 0.000 0.332 206 R C -0.840 175.668 176.300 0.347 0.000 0.988 206 R CA -0.597 55.609 56.100 0.176 0.000 0.859 206 R CB -0.038 30.401 30.300 0.232 0.000 1.148 206 R HN 0.733 nan 8.270 nan 0.000 0.482 392 S N -0.572 115.085 115.700 -0.073 0.000 2.552 392 S HA 0.710 5.182 4.470 0.004 0.000 0.272 392 S C -1.210 173.306 174.600 -0.140 0.000 1.150 392 S CA -0.516 57.642 58.200 -0.070 0.000 0.849 392 S CB 1.002 64.199 63.200 -0.005 0.000 1.113 392 S HN 0.625 nan 8.310 nan 0.000 0.458 393 I N 2.425 122.940 120.570 -0.092 0.000 2.355 393 I HA 0.338 4.510 4.170 0.004 0.000 0.288 393 I C -0.377 175.778 176.117 0.064 0.000 0.999 393 I CA -0.922 60.326 61.300 -0.086 0.000 1.163 393 I CB 1.478 39.417 38.000 -0.102 0.000 1.316 393 I HN 0.705 nan 8.210 nan 0.000 0.454 394 L N 5.416 126.676 121.223 0.061 0.000 2.302 394 L HA 0.453 4.795 4.340 0.004 0.000 0.285 394 L C -0.127 176.805 176.870 0.103 0.000 1.090 394 L CA -0.697 54.197 54.840 0.091 0.000 0.866 394 L CB 0.620 42.717 42.059 0.064 0.000 1.244 394 L HN 0.266 nan 8.230 nan 0.000 0.435 395 V N 4.783 124.795 119.914 0.163 0.000 2.399 395 V HA -0.041 4.082 4.120 0.004 0.000 0.245 395 V C 0.721 176.874 176.094 0.098 0.000 1.089 395 V CA 0.203 62.579 62.300 0.127 0.000 1.196 395 V CB -0.037 31.889 31.823 0.170 0.000 1.221 395 V HN 0.614 nan 8.190 nan 0.000 0.482 396 V N 5.272 125.225 119.914 0.064 0.000 2.368 396 V HA 0.168 4.290 4.120 0.004 0.000 0.266 396 V C 0.938 177.053 176.094 0.034 0.000 1.045 396 V CA -0.695 61.632 62.300 0.046 0.000 0.899 396 V CB 1.082 32.923 31.823 0.030 0.000 1.006 396 V HN 0.804 nan 8.190 nan 0.000 0.470 397 K N 3.960 124.387 120.400 0.044 0.000 2.620 397 K HA 0.326 4.648 4.320 0.004 0.000 0.234 397 K C 0.145 176.762 176.600 0.028 0.000 1.194 397 K CA 0.053 56.365 56.287 0.041 0.000 1.186 397 K CB -0.413 32.122 32.500 0.058 0.000 1.270 397 K HN 0.861 nan 8.250 nan 0.000 0.235 398 A N 2.763 125.583 122.820 0.000 0.000 2.414 398 A HA 0.512 4.834 4.320 0.004 0.000 0.306 398 A C -0.983 176.527 177.584 -0.123 0.000 1.054 398 A CA -1.018 50.998 52.037 -0.036 0.000 0.724 398 A CB 1.057 20.040 19.000 -0.029 0.000 1.267 398 A HN 0.561 nan 8.150 nan 0.000 0.418 399 R N 1.525 121.869 120.500 -0.260 0.000 2.229 399 R HA 0.372 4.714 4.340 0.004 0.000 0.332 399 R C -0.688 175.066 176.300 -0.910 0.000 0.989 399 R CA -0.626 55.140 56.100 -0.558 0.000 0.842 399 R CB 1.862 31.793 30.300 -0.616 0.000 1.119 399 R HN 0.413 nan 8.270 nan 0.000 0.456 400 V N 6.319 125.928 119.914 -0.509 0.000 2.302 400 V HA 0.053 4.175 4.120 0.004 0.000 0.244 400 V C -0.771 175.156 176.094 -0.279 0.000 1.160 400 V CA -0.061 62.053 62.300 -0.311 0.000 1.127 400 V CB -0.732 31.009 31.823 -0.135 0.000 1.253 400 V HN 0.541 nan 8.190 nan 0.000 0.496 401 Y N 7.630 127.966 120.300 0.060 0.000 2.539 401 Y HA 0.381 4.933 4.550 0.004 0.000 0.352 401 Y C -1.792 174.179 175.900 0.118 0.000 1.004 401 Y CA -2.658 55.485 58.100 0.072 0.000 1.278 401 Y CB 0.385 38.886 38.460 0.068 0.000 1.136 401 Y HN 0.527 nan 8.280 nan 0.000 0.528 402 P HA 0.102 nan 4.420 nan 0.000 0.275 402 P C -0.982 176.419 177.300 0.168 0.000 1.228 402 P CA -0.232 62.917 63.100 0.082 0.000 0.786 402 P CB 0.459 32.154 31.700 -0.009 0.000 0.927 403 F N -1.035 118.937 119.950 0.037 0.000 2.569 403 F HA 0.566 5.095 4.527 0.004 0.000 0.312 403 F C 0.562 176.369 175.800 0.012 0.000 1.109 403 F CA -0.855 57.160 58.000 0.025 0.000 0.919 403 F CB 1.589 40.604 39.000 0.025 0.000 1.211 403 F HN 0.220 nan 8.300 nan 0.000 0.446 404 E N 0.613 120.887 120.200 0.123 0.000 2.251 404 E HA 0.054 4.406 4.350 0.004 0.000 0.194 404 E C -0.327 176.360 176.600 0.145 0.000 0.964 404 E CA 0.235 56.662 56.400 0.044 0.000 0.868 404 E CB 0.298 30.012 29.700 0.022 0.000 0.828 404 E HN 0.598 nan 8.360 nan 0.000 0.481 405 D N 1.473 122.002 120.400 0.215 0.000 2.268 405 D HA 0.044 4.686 4.640 0.004 0.000 0.249 405 D C -0.796 175.635 176.300 0.219 0.000 1.008 405 D CA -0.461 53.642 54.000 0.172 0.000 0.939 405 D CB 1.342 42.196 40.800 0.091 0.000 1.170 405 D HN -0.018 nan 8.370 nan 0.000 0.468 406 D N -0.678 119.784 120.400 0.103 0.000 2.429 406 D HA -0.014 4.628 4.640 0.004 0.000 0.233 406 D C -0.015 176.174 176.300 -0.185 0.000 1.202 406 D CA -0.078 53.919 54.000 -0.006 0.000 0.879 406 D CB 0.335 41.126 40.800 -0.016 0.000 1.212 406 D HN -0.109 nan 8.370 nan 0.000 0.465 407 V N 0.493 120.183 119.914 -0.374 0.000 2.644 407 V HA 0.128 4.250 4.120 0.004 0.000 0.295 407 V C 1.310 177.269 176.094 -0.226 0.000 1.053 407 V CA -0.367 61.660 62.300 -0.456 0.000 0.987 407 V CB 1.137 32.584 31.823 -0.626 0.000 1.006 407 V HN 0.695 nan 8.190 nan 0.000 0.472 408 E N 1.551 121.644 120.200 -0.179 0.000 2.431 408 E HA 0.160 4.512 4.350 0.004 0.000 0.200 408 E C 0.074 176.617 176.600 -0.096 0.000 0.995 408 E CA 0.070 56.404 56.400 -0.111 0.000 0.915 408 E CB 0.955 30.604 29.700 -0.086 0.000 0.930 408 E HN 0.583 nan 8.360 nan 0.000 0.496 409 V N 1.238 121.085 119.914 -0.113 0.000 2.716 409 V HA 0.250 4.372 4.120 0.004 0.000 0.304 409 V C 0.080 176.128 176.094 -0.077 0.000 1.053 409 V CA -0.518 61.734 62.300 -0.080 0.000 0.984 409 V CB 1.660 33.443 31.823 -0.067 0.000 1.021 409 V HN 0.188 nan 8.190 nan 0.000 0.467 410 S N 1.217 116.889 115.700 -0.047 0.000 2.532 410 S HA 0.444 4.916 4.470 0.004 0.000 0.301 410 S C -0.282 174.307 174.600 -0.018 0.000 1.083 410 S CA -0.615 57.564 58.200 -0.035 0.000 1.025 410 S CB 1.498 64.683 63.200 -0.026 0.000 1.056 410 S HN 0.660 nan 8.310 nan 0.000 0.494 411 T N 2.659 117.206 114.554 -0.011 0.000 2.792 411 T HA 0.456 4.808 4.350 0.004 0.000 0.286 411 T C 1.485 176.188 174.700 0.004 0.000 0.970 411 T CA 1.136 63.238 62.100 0.002 0.000 1.187 411 T CB -0.253 68.620 68.868 0.008 0.000 0.915 411 T HN 1.549 nan 8.240 nan 0.000 0.529 412 G N 3.539 112.343 108.800 0.007 0.000 2.391 412 G HA2 -0.181 3.781 3.960 0.004 0.000 0.204 412 G HA3 -0.181 3.781 3.960 0.004 0.000 0.204 412 G C 0.038 174.942 174.900 0.007 0.000 1.012 412 G CA -0.289 44.816 45.100 0.008 0.000 0.651 412 G HN 0.670 nan 8.290 nan 0.000 0.494 413 D N 1.693 122.095 120.400 0.004 0.000 2.400 413 D HA 0.457 5.099 4.640 0.004 0.000 0.238 413 D C 0.922 177.229 176.300 0.011 0.000 1.157 413 D CA 0.110 54.112 54.000 0.005 0.000 0.889 413 D CB 0.555 41.353 40.800 -0.002 0.000 1.199 413 D HN 0.417 nan 8.370 nan 0.000 0.436 414 R N 0.638 121.149 120.500 0.018 0.000 2.457 414 R HA 0.635 4.977 4.340 0.004 0.000 0.284 414 R C -0.434 175.886 176.300 0.034 0.000 1.024 414 R CA -0.755 55.363 56.100 0.030 0.000 1.025 414 R CB 1.103 31.428 30.300 0.042 0.000 1.063 414 R HN 0.052 nan 8.270 nan 0.000 0.493 415 V N 0.133 120.072 119.914 0.041 0.000 3.102 415 V HA 0.906 5.028 4.120 0.004 0.000 0.312 415 V C -0.509 175.563 176.094 -0.037 0.000 1.135 415 V CA -0.936 61.365 62.300 0.003 0.000 1.022 415 V CB 2.115 33.932 31.823 -0.009 0.000 1.056 415 V HN 0.942 nan 8.190 nan 0.000 0.436 416 A N 2.314 125.018 122.820 -0.193 0.000 2.485 416 A HA 0.951 5.273 4.320 0.004 0.000 0.292 416 A C -3.058 174.237 177.584 -0.482 0.000 1.147 416 A CA -2.045 49.621 52.037 -0.618 0.000 0.750 416 A CB 1.853 20.590 19.000 -0.439 0.000 1.331 416 A HN 0.617 nan 8.150 nan 0.000 0.419 417 P HA 0.320 nan 4.420 nan 0.000 0.264 417 P C 0.883 178.070 177.300 -0.188 0.000 1.236 417 P CA 2.006 64.939 63.100 -0.278 0.000 0.811 417 P CB 0.451 32.028 31.700 -0.205 0.000 0.840 418 G N 3.196 111.898 108.800 -0.164 0.000 2.796 418 G HA2 -0.173 3.789 3.960 0.004 0.000 0.198 418 G HA3 -0.173 3.789 3.960 0.004 0.000 0.198 418 G C -0.166 174.659 174.900 -0.125 0.000 1.062 418 G CA -0.594 44.430 45.100 -0.127 0.000 0.752 418 G HN 0.454 nan 8.290 nan 0.000 0.487 419 D N 1.777 122.103 120.400 -0.124 0.000 2.586 419 D HA 0.363 5.005 4.640 0.004 0.000 0.234 419 D C 1.067 177.301 176.300 -0.111 0.000 1.132 419 D CA 0.310 54.250 54.000 -0.100 0.000 0.860 419 D CB 1.243 41.991 40.800 -0.087 0.000 1.159 419 D HN 0.344 nan 8.370 nan 0.000 0.490 420 V N 3.987 123.846 119.914 -0.091 0.000 2.763 420 V HA -0.035 4.087 4.120 0.004 0.000 0.306 420 V C 1.449 177.487 176.094 -0.093 0.000 1.059 420 V CA 0.365 62.609 62.300 -0.092 0.000 1.138 420 V CB 0.888 32.669 31.823 -0.070 0.000 0.940 420 V HN 0.555 nan 8.190 nan 0.000 0.489 421 L N 2.598 123.760 121.223 -0.100 0.000 2.663 421 L HA 0.602 4.944 4.340 0.004 0.000 0.218 421 L C 0.633 177.425 176.870 -0.130 0.000 1.043 421 L CA 0.896 55.679 54.840 -0.094 0.000 0.876 421 L CB 0.677 42.701 42.059 -0.059 0.000 1.263 421 L HN 0.810 nan 8.230 nan 0.000 0.486 422 A N -1.313 121.445 122.820 -0.104 0.000 2.483 422 A HA 0.359 4.681 4.320 0.004 0.000 0.294 422 A C -1.207 176.359 177.584 -0.031 0.000 1.077 422 A CA -0.232 51.730 52.037 -0.123 0.000 0.633 422 A CB 0.476 19.322 19.000 -0.256 0.000 1.318 422 A HN 0.216 nan 8.150 nan 0.000 0.455 423 D N -0.220 120.179 120.400 -0.001 0.000 2.708 423 D HA -0.090 4.553 4.640 0.004 0.000 0.236 423 D C 0.943 177.244 176.300 0.002 0.000 1.146 423 D CA 2.751 56.770 54.000 0.030 0.000 0.662 423 D CB -1.526 39.313 40.800 0.065 0.000 1.059 423 D HN 2.278 nan 8.370 nan 0.000 0.428 424 G N -0.192 108.597 108.800 -0.017 0.000 2.552 424 G HA2 -0.226 3.736 3.960 0.004 0.000 0.265 424 G HA3 -0.226 3.736 3.960 0.004 0.000 0.265 424 G C 0.969 175.851 174.900 -0.031 0.000 1.234 424 G CA 0.530 45.617 45.100 -0.022 0.000 0.944 424 G HN 0.797 nan 8.290 nan 0.000 0.568 425 G N -0.167 108.615 108.800 -0.030 0.000 3.026 425 G HA2 0.284 4.246 3.960 0.004 0.000 0.208 425 G HA3 0.284 4.246 3.960 0.004 0.000 0.208 425 G C 1.379 176.254 174.900 -0.041 0.000 1.169 425 G CA 1.368 46.445 45.100 -0.039 0.000 0.788 425 G HN 0.734 nan 8.290 nan 0.000 0.533 426 K N -0.353 120.030 120.400 -0.028 0.000 2.001 426 K HA 0.021 4.343 4.320 0.004 0.000 0.208 426 K C 0.518 177.096 176.600 -0.036 0.000 1.048 426 K CA 0.517 56.791 56.287 -0.021 0.000 0.932 426 K CB 0.024 32.525 32.500 0.002 0.000 0.715 426 K HN 0.121 nan 8.250 nan 0.000 0.437 427 V N 3.272 123.165 119.914 -0.035 0.000 2.339 427 V HA 0.104 4.226 4.120 0.004 0.000 0.261 427 V C -0.422 175.580 176.094 -0.154 0.000 1.058 427 V CA -0.159 62.103 62.300 -0.063 0.000 0.897 427 V CB 0.585 32.426 31.823 0.031 0.000 1.052 427 V HN 0.198 nan 8.190 nan 0.000 0.480 428 K N 2.689 122.931 120.400 -0.262 0.000 2.267 428 K HA 0.608 4.930 4.320 0.004 0.000 0.246 428 K C -0.163 176.079 176.600 -0.595 0.000 0.954 428 K CA -0.520 55.583 56.287 -0.307 0.000 0.824 428 K CB 2.126 34.502 32.500 -0.206 0.000 1.167 428 K HN 0.515 nan 8.250 nan 0.000 0.431 429 S N 0.205 115.632 115.700 -0.454 0.000 2.617 429 S HA 0.102 4.574 4.470 0.004 0.000 0.269 429 S C -0.279 174.160 174.600 -0.268 0.000 1.292 429 S CA -0.321 57.604 58.200 -0.457 0.000 1.010 429 S CB 0.464 63.598 63.200 -0.109 0.000 0.944 429 S HN 0.565 nan 8.310 nan 0.000 0.536 430 D N 0.733 121.117 120.400 -0.026 0.000 2.441 430 D HA 0.268 4.910 4.640 0.004 0.000 0.210 430 D C -0.455 175.872 176.300 0.044 0.000 1.102 430 D CA 0.298 54.317 54.000 0.032 0.000 0.840 430 D CB 0.601 41.493 40.800 0.153 0.000 0.990 430 D HN 0.243 nan 8.370 nan 0.000 0.505 431 V N -0.003 119.951 119.914 0.066 0.000 3.130 431 V HA 0.368 4.490 4.120 0.004 0.000 0.310 431 V C -0.919 175.181 176.094 0.011 0.000 1.158 431 V CA -1.249 61.093 62.300 0.070 0.000 1.029 431 V CB 1.712 33.618 31.823 0.137 0.000 1.057 431 V HN -0.106 nan 8.190 nan 0.000 0.436 432 Y N 0.893 121.222 120.300 0.049 0.000 2.304 432 Y HA 0.696 5.248 4.550 0.004 0.000 0.327 432 Y C 0.963 176.799 175.900 -0.106 0.000 1.209 432 Y CA 1.466 59.548 58.100 -0.031 0.000 1.299 432 Y CB 1.474 39.890 38.460 -0.074 0.000 1.249 432 Y HN 1.054 nan 8.280 nan 0.000 0.519 433 G N 1.649 110.491 108.800 0.070 0.000 2.369 433 G HA2 0.066 4.028 3.960 0.004 0.000 0.293 433 G HA3 0.066 4.028 3.960 0.004 0.000 0.293 433 G C -1.604 173.304 174.900 0.013 0.000 1.301 433 G CA -1.297 43.800 45.100 -0.005 0.000 0.913 433 G HN 0.511 nan 8.290 nan 0.000 0.540 434 R N -1.061 119.441 120.500 0.003 0.000 2.707 434 R HA 0.571 4.913 4.340 0.004 0.000 0.270 434 R C -0.263 176.051 176.300 0.023 0.000 1.083 434 R CA -0.216 55.891 56.100 0.011 0.000 1.182 434 R CB 1.022 31.326 30.300 0.007 0.000 1.084 434 R HN 0.401 nan 8.270 nan 0.000 0.528 435 V N 2.024 121.951 119.914 0.021 0.000 2.628 435 V HA 0.304 4.426 4.120 0.004 0.000 0.306 435 V C -1.131 174.977 176.094 0.023 0.000 1.045 435 V CA -0.736 61.580 62.300 0.026 0.000 0.905 435 V CB 1.977 33.810 31.823 0.017 0.000 0.997 435 V HN 0.741 nan 8.190 nan 0.000 0.436 436 E N 2.419 122.637 120.200 0.030 0.000 2.373 436 E HA 0.419 4.771 4.350 0.004 0.000 0.251 436 E C -1.019 175.605 176.600 0.040 0.000 0.923 436 E CA -0.490 55.928 56.400 0.029 0.000 0.798 436 E CB 1.813 31.530 29.700 0.029 0.000 1.303 436 E HN 0.369 nan 8.360 nan 0.000 0.412 437 V N 2.476 122.408 119.914 0.030 0.000 2.276 437 V HA 0.152 4.274 4.120 0.004 0.000 0.249 437 V C -0.373 175.770 176.094 0.080 0.000 1.160 437 V CA -0.706 61.623 62.300 0.047 0.000 1.042 437 V CB -0.330 31.485 31.823 -0.015 0.000 1.224 437 V HN 0.520 nan 8.190 nan 0.000 0.496 438 D N 4.558 125.021 120.400 0.106 0.000 2.339 438 D HA 0.258 4.901 4.640 0.004 0.000 0.256 438 D C 0.801 177.177 176.300 0.126 0.000 1.214 438 D CA 0.002 54.044 54.000 0.071 0.000 0.877 438 D CB 1.447 42.262 40.800 0.025 0.000 1.111 438 D HN 0.416 nan 8.370 nan 0.000 0.478 439 L N 1.440 122.719 121.223 0.094 0.000 2.741 439 L HA 0.120 4.462 4.340 0.004 0.000 0.237 439 L C 1.203 178.089 176.870 0.027 0.000 1.178 439 L CA -0.109 54.797 54.840 0.112 0.000 0.973 439 L CB 0.095 42.219 42.059 0.109 0.000 1.255 439 L HN 0.202 nan 8.230 nan 0.000 0.498 440 V N -0.951 118.956 119.914 -0.012 0.000 3.307 440 V HA 0.079 4.201 4.120 0.004 0.000 0.253 440 V C 1.860 177.917 176.094 -0.061 0.000 1.149 440 V CA 0.749 63.022 62.300 -0.044 0.000 1.112 440 V CB -0.061 31.716 31.823 -0.078 0.000 0.777 440 V HN 0.432 nan 8.190 nan 0.000 0.464 441 R N -0.159 120.299 120.500 -0.070 0.000 2.549 441 R HA 0.296 4.638 4.340 0.004 0.000 0.344 441 R C 0.027 176.222 176.300 -0.175 0.000 0.979 441 R CA -0.204 55.835 56.100 -0.101 0.000 1.140 441 R CB 0.366 30.617 30.300 -0.082 0.000 1.377 441 R HN 0.326 nan 8.270 nan 0.000 0.541 442 N N 0.899 119.475 118.700 -0.206 0.000 2.705 442 N HA -0.177 4.565 4.740 0.004 0.000 0.255 442 N C -1.115 173.886 175.510 -0.850 0.000 1.008 442 N CA 1.019 53.744 53.050 -0.542 0.000 0.742 442 N CB -0.622 37.544 38.487 -0.534 0.000 0.906 442 N HN 0.073 nan 8.380 nan 0.000 0.541 443 V N -0.371 119.419 119.914 -0.207 0.000 3.159 443 V HA 0.588 4.710 4.120 0.004 0.000 0.308 443 V C -0.864 175.496 176.094 0.443 0.000 1.190 443 V CA -0.688 61.656 62.300 0.072 0.000 1.037 443 V CB 2.851 34.666 31.823 -0.013 0.000 1.060 443 V HN -0.138 nan 8.190 nan 0.000 0.437 444 V N 5.216 125.373 119.914 0.404 0.000 2.349 444 V HA 0.515 4.638 4.120 0.004 0.000 0.284 444 V C -0.096 176.097 176.094 0.166 0.000 1.014 444 V CA -0.697 61.760 62.300 0.261 0.000 0.826 444 V CB 1.541 33.486 31.823 0.204 0.000 1.009 444 V HN 0.937 nan 8.190 nan 0.000 0.431 445 R N 3.780 124.332 120.500 0.087 0.000 2.404 445 R HA 0.788 5.130 4.340 0.004 0.000 0.291 445 R C -1.171 175.159 176.300 0.050 0.000 1.025 445 R CA -0.683 55.429 56.100 0.021 0.000 0.991 445 R CB 1.422 31.724 30.300 0.004 0.000 1.053 445 R HN 0.314 nan 8.270 nan 0.000 0.479 446 V N 4.078 124.016 119.914 0.040 0.000 2.340 446 V HA 0.148 4.270 4.120 0.004 0.000 0.277 446 V C 1.011 177.130 176.094 0.041 0.000 1.017 446 V CA -0.980 61.363 62.300 0.072 0.000 0.820 446 V CB 0.645 32.566 31.823 0.164 0.000 1.028 446 V HN 0.805 nan 8.190 nan 0.000 0.436 447 V N 0.946 120.877 119.914 0.028 0.000 4.096 447 V HA 0.332 4.454 4.120 0.004 0.000 0.290 447 V C 0.217 176.322 176.094 0.019 0.000 1.025 447 V CA 0.367 62.679 62.300 0.020 0.000 1.064 447 V CB 0.611 32.443 31.823 0.015 0.000 1.187 447 V HN 0.865 nan 8.190 nan 0.000 0.462 448 E N -0.233 119.972 120.200 0.009 0.000 2.340 448 E HA 0.612 4.964 4.350 0.004 0.000 0.273 448 E C -1.364 175.203 176.600 -0.055 0.000 0.891 448 E CA 0.025 56.420 56.400 -0.008 0.000 0.757 448 E CB 2.256 31.978 29.700 0.036 0.000 1.231 448 E HN 1.264 nan 8.360 nan 0.000 0.439 449 S N 2.768 118.364 115.700 -0.174 0.000 2.563 449 S HA 0.483 4.955 4.470 0.004 0.000 0.279 449 S C -1.551 172.752 174.600 -0.495 0.000 1.155 449 S CA -0.714 57.360 58.200 -0.210 0.000 0.928 449 S CB 0.397 63.498 63.200 -0.164 0.000 1.107 449 S HN 0.472 nan 8.310 nan 0.000 0.462 450 Y N 2.230 122.537 120.300 0.012 0.000 2.445 450 Y HA 0.243 4.796 4.550 0.003 0.000 0.332 450 Y C -0.384 175.511 175.900 -0.008 0.000 1.037 450 Y CA -0.896 57.197 58.100 -0.012 0.000 1.296 450 Y CB 1.104 39.553 38.460 -0.018 0.000 1.099 450 Y HN 0.739 nan 8.280 nan 0.000 0.496 451 D N 4.629 125.149 120.400 0.199 0.000 2.648 451 D HA -0.100 4.542 4.640 0.004 0.000 0.229 451 D C -0.175 176.195 176.300 0.117 0.000 1.119 451 D CA 0.895 54.967 54.000 0.120 0.000 0.850 451 D CB 1.767 42.627 40.800 0.101 0.000 1.169 451 D HN 0.491 nan 8.370 nan 0.000 0.489 452 I N 1.341 121.968 120.570 0.094 0.000 2.521 452 I HA 0.052 4.224 4.170 0.004 0.000 0.277 452 I C -1.252 174.924 176.117 0.099 0.000 1.054 452 I CA -0.857 60.498 61.300 0.093 0.000 1.117 452 I CB 0.857 38.924 38.000 0.110 0.000 1.217 452 I HN -0.003 nan 8.210 nan 0.000 0.469 453 D N 7.680 128.116 120.400 0.060 0.000 2.346 453 D HA 0.460 5.102 4.640 0.004 0.000 0.260 453 D C -0.131 176.173 176.300 0.006 0.000 1.252 453 D CA 0.390 54.415 54.000 0.042 0.000 0.895 453 D CB 1.330 42.144 40.800 0.024 0.000 1.097 453 D HN 0.549 nan 8.370 nan 0.000 0.489 454 A N 3.308 126.123 122.820 -0.009 0.000 2.371 454 A HA 0.797 5.119 4.320 0.004 0.000 0.311 454 A C -0.172 177.338 177.584 -0.123 0.000 1.068 454 A CA -0.812 51.126 52.037 -0.165 0.000 0.744 454 A CB 1.308 20.000 19.000 -0.514 0.000 1.239 454 A HN 0.419 nan 8.150 nan 0.000 0.435 455 R N 0.608 121.032 120.500 -0.126 0.000 2.795 455 R HA 0.809 5.151 4.340 0.004 0.000 0.275 455 R C -1.025 175.240 176.300 -0.059 0.000 0.981 455 R CA -0.358 55.705 56.100 -0.060 0.000 0.917 455 R CB 2.127 32.413 30.300 -0.023 0.000 1.202 455 R HN 0.854 nan 8.270 nan 0.000 0.469 456 M N 1.115 120.700 119.600 -0.023 0.000 2.277 456 M HA 0.745 5.227 4.480 0.004 0.000 0.282 456 M C -0.274 176.038 176.300 0.019 0.000 1.074 456 M CA -0.786 54.509 55.300 -0.008 0.000 0.954 456 M CB 2.160 34.735 32.600 -0.042 0.000 1.672 456 M HN 0.727 nan 8.290 nan 0.000 0.471 457 G N 1.576 110.408 108.800 0.053 0.000 2.483 457 G HA2 0.141 4.104 3.960 0.004 0.000 0.521 457 G HA3 0.141 4.104 3.960 0.004 0.000 0.521 457 G C 0.230 175.136 174.900 0.010 0.000 1.278 457 G CA -0.082 45.048 45.100 0.049 0.000 0.965 457 G HN 1.274 nan 8.290 nan 0.000 0.504 458 A N -0.543 122.249 122.820 -0.046 0.000 2.131 458 A HA 0.065 4.388 4.320 0.004 0.000 0.220 458 A C 1.996 179.559 177.584 -0.035 0.000 1.158 458 A CA 2.500 54.480 52.037 -0.096 0.000 0.665 458 A CB -0.516 18.426 19.000 -0.096 0.000 0.795 458 A HN 1.093 nan 8.150 nan 0.000 0.460 459 E N 0.134 120.329 120.200 -0.008 0.000 2.070 459 E HA -0.182 4.170 4.350 0.004 0.000 0.197 459 E C 2.145 178.748 176.600 0.006 0.000 1.004 459 E CA 1.397 57.799 56.400 0.003 0.000 0.805 459 E CB -0.315 29.391 29.700 0.010 0.000 0.744 459 E HN 0.571 nan 8.360 nan 0.000 0.451 460 A N 0.935 123.763 122.820 0.014 0.000 1.883 460 A HA -0.185 4.137 4.320 0.004 0.000 0.217 460 A C 2.080 179.680 177.584 0.027 0.000 1.186 460 A CA 1.724 53.774 52.037 0.022 0.000 0.624 460 A CB -0.532 18.495 19.000 0.046 0.000 0.822 460 A HN 0.377 nan 8.150 nan 0.000 0.444 461 I N 0.477 121.065 120.570 0.031 0.000 2.876 461 I HA -0.165 4.007 4.170 0.004 0.000 0.264 461 I C 2.553 178.673 176.117 0.005 0.000 1.204 461 I CA 1.360 62.678 61.300 0.030 0.000 1.485 461 I CB -1.548 36.471 38.000 0.031 0.000 1.103 461 I HN 0.683 nan 8.210 nan 0.000 0.446 462 Q N 1.568 121.367 119.800 -0.002 0.000 2.096 462 Q HA -0.230 4.112 4.340 0.004 0.000 0.204 462 Q C 1.859 177.861 176.000 0.003 0.000 0.982 462 Q CA 1.662 57.467 55.803 0.004 0.000 0.850 462 Q CB -0.036 28.708 28.738 0.010 0.000 0.901 462 Q HN 0.542 nan 8.270 nan 0.000 0.422 463 Q N 0.644 120.446 119.800 0.004 0.000 1.965 463 Q HA -0.129 4.213 4.340 0.004 0.000 0.200 463 Q C 2.453 178.450 176.000 -0.005 0.000 0.981 463 Q CA 1.261 57.065 55.803 0.002 0.000 0.834 463 Q CB -0.521 28.219 28.738 0.003 0.000 0.900 463 Q HN 0.411 nan 8.270 nan 0.000 0.426 464 L N 0.791 122.013 121.223 -0.002 0.000 2.089 464 L HA -0.221 4.122 4.340 0.004 0.000 0.213 464 L C 2.483 179.340 176.870 -0.021 0.000 1.079 464 L CA 0.935 55.772 54.840 -0.005 0.000 0.758 464 L CB -0.286 41.778 42.059 0.009 0.000 0.891 464 L HN 0.222 nan 8.230 nan 0.000 0.433 465 L N -0.806 120.399 121.223 -0.029 0.000 2.093 465 L HA -0.241 4.101 4.340 0.004 0.000 0.208 465 L C 2.455 179.266 176.870 -0.098 0.000 1.085 465 L CA 1.401 56.199 54.840 -0.069 0.000 0.755 465 L CB -0.124 41.889 42.059 -0.076 0.000 0.904 465 L HN 0.254 nan 8.230 nan 0.000 0.435 466 K N -0.554 119.809 120.400 -0.062 0.000 2.167 466 K HA -0.152 4.170 4.320 0.004 0.000 0.203 466 K C 1.683 178.255 176.600 -0.047 0.000 1.052 466 K CA 0.841 57.095 56.287 -0.056 0.000 0.956 466 K CB 0.011 32.504 32.500 -0.012 0.000 0.735 466 K HN 0.252 nan 8.250 nan 0.000 0.451 467 E N 0.721 120.901 120.200 -0.034 0.000 2.511 467 E HA -0.000 4.352 4.350 0.004 0.000 0.196 467 E C -0.465 176.116 176.600 -0.032 0.000 1.066 467 E CA 0.037 56.422 56.400 -0.025 0.000 0.871 467 E CB 0.166 29.856 29.700 -0.016 0.000 0.863 467 E HN 0.191 nan 8.360 nan 0.000 0.520 468 L N 1.322 122.516 121.223 -0.049 0.000 2.264 468 L HA 0.240 4.582 4.340 0.004 0.000 0.289 468 L C -0.484 176.354 176.870 -0.053 0.000 1.044 468 L CA -0.511 54.301 54.840 -0.047 0.000 0.807 468 L CB 1.229 43.257 42.059 -0.052 0.000 1.192 468 L HN -0.183 nan 8.230 nan 0.000 0.425 469 D N 3.544 123.924 120.400 -0.034 0.000 2.522 469 D HA 0.217 4.859 4.640 0.004 0.000 0.218 469 D C 1.420 177.707 176.300 -0.021 0.000 1.149 469 D CA -0.199 53.784 54.000 -0.028 0.000 0.981 469 D CB 0.658 41.448 40.800 -0.017 0.000 1.041 469 D HN 0.378 nan 8.370 nan 0.000 0.518 470 L N 1.587 122.793 121.223 -0.028 0.000 2.082 470 L HA -0.335 4.007 4.340 0.004 0.000 0.223 470 L C 2.162 179.036 176.870 0.007 0.000 1.086 470 L CA 1.305 56.141 54.840 -0.006 0.000 0.793 470 L CB -0.861 41.193 42.059 -0.007 0.000 0.896 470 L HN 0.349 nan 8.230 nan 0.000 0.441 471 E N 1.283 121.485 120.200 0.004 0.000 2.049 471 E HA -0.285 4.067 4.350 0.004 0.000 0.198 471 E C 2.370 178.973 176.600 0.005 0.000 1.007 471 E CA 1.700 58.105 56.400 0.008 0.000 0.809 471 E CB -0.632 29.071 29.700 0.006 0.000 0.749 471 E HN 0.603 nan 8.360 nan 0.000 0.450 472 A N 1.435 124.255 122.820 -0.001 0.000 1.883 472 A HA -0.163 4.159 4.320 0.004 0.000 0.217 472 A C 2.353 179.935 177.584 -0.003 0.000 1.186 472 A CA 1.604 53.639 52.037 -0.004 0.000 0.624 472 A CB -0.695 18.301 19.000 -0.007 0.000 0.822 472 A HN 0.174 nan 8.150 nan 0.000 0.444 473 L N -0.170 121.053 121.223 -0.000 0.000 2.291 473 L HA -0.089 4.253 4.340 0.004 0.000 0.214 473 L C 2.331 179.206 176.870 0.009 0.000 1.120 473 L CA 1.858 56.700 54.840 0.003 0.000 0.799 473 L CB -0.511 41.552 42.059 0.006 0.000 0.925 473 L HN 0.663 nan 8.230 nan 0.000 0.446 474 E N 0.033 120.241 120.200 0.012 0.000 2.017 474 E HA -0.247 4.105 4.350 0.004 0.000 0.193 474 E C 2.046 178.654 176.600 0.012 0.000 0.997 474 E CA 1.294 57.705 56.400 0.017 0.000 0.804 474 E CB 0.072 29.784 29.700 0.020 0.000 0.757 474 E HN 0.393 nan 8.360 nan 0.000 0.448 475 K N 0.400 120.804 120.400 0.006 0.000 2.001 475 K HA -0.247 4.075 4.320 0.004 0.000 0.214 475 K C 2.305 178.898 176.600 -0.011 0.000 1.050 475 K CA 1.805 58.091 56.287 -0.000 0.000 0.934 475 K CB -0.354 32.143 32.500 -0.005 0.000 0.718 475 K HN 0.185 nan 8.250 nan 0.000 0.443 476 E N 1.041 121.232 120.200 -0.014 0.000 2.108 476 E HA -0.224 4.128 4.350 0.004 0.000 0.203 476 E C 2.029 178.618 176.600 -0.019 0.000 1.022 476 E CA 1.430 57.817 56.400 -0.023 0.000 0.823 476 E CB -0.044 29.647 29.700 -0.015 0.000 0.744 476 E HN 0.177 nan 8.360 nan 0.000 0.456 477 L N 0.188 121.410 121.223 -0.003 0.000 2.017 477 L HA -0.200 4.142 4.340 0.004 0.000 0.208 477 L C 2.601 179.481 176.870 0.017 0.000 1.073 477 L CA 1.216 56.061 54.840 0.009 0.000 0.745 477 L CB -0.914 41.154 42.059 0.016 0.000 0.894 477 L HN 0.331 nan 8.230 nan 0.000 0.432 478 L N -0.336 120.898 121.223 0.018 0.000 2.010 478 L HA -0.269 4.073 4.340 0.004 0.000 0.219 478 L C 2.783 179.679 176.870 0.044 0.000 1.077 478 L CA 1.542 56.404 54.840 0.037 0.000 0.773 478 L CB -0.887 41.191 42.059 0.031 0.000 0.892 478 L HN 0.345 nan 8.230 nan 0.000 0.436 479 E N 0.263 120.442 120.200 -0.035 0.000 2.031 479 E HA -0.255 4.097 4.350 0.004 0.000 0.193 479 E C 2.028 178.575 176.600 -0.089 0.000 0.994 479 E CA 1.419 57.702 56.400 -0.196 0.000 0.800 479 E CB -0.372 29.160 29.700 -0.280 0.000 0.752 479 E HN 0.449 nan 8.360 nan 0.000 0.447 480 E N 1.010 121.187 120.200 -0.037 0.000 2.160 480 E HA -0.164 4.188 4.350 0.004 0.000 0.195 480 E C 2.003 178.642 176.600 0.066 0.000 0.991 480 E CA 1.138 57.544 56.400 0.009 0.000 0.810 480 E CB -0.216 29.485 29.700 0.003 0.000 0.742 480 E HN 0.237 nan 8.360 nan 0.000 0.466 481 M N -0.784 118.866 119.600 0.083 0.000 2.248 481 M HA 0.013 4.495 4.480 0.004 0.000 0.265 481 M C 1.907 178.274 176.300 0.111 0.000 1.079 481 M CA 1.218 56.568 55.300 0.084 0.000 1.150 481 M CB 0.188 32.829 32.600 0.068 0.000 1.366 481 M HN -0.083 nan 8.290 nan 0.000 0.433 482 K N -1.473 119.042 120.400 0.192 0.000 2.400 482 K HA -0.039 4.283 4.320 0.004 0.000 0.194 482 K C 1.043 177.641 176.600 -0.003 0.000 1.033 482 K CA 0.480 56.822 56.287 0.092 0.000 1.021 482 K CB 0.286 32.813 32.500 0.045 0.000 0.808 482 K HN 0.408 nan 8.250 nan 0.000 0.505 483 H N -0.535 118.538 119.070 0.004 0.000 2.332 483 H HA 0.159 4.717 4.556 0.003 0.000 0.316 483 H C -1.535 173.794 175.328 0.000 0.000 1.069 483 H CA -0.051 55.998 56.048 0.002 0.000 1.484 483 H CB -1.389 28.374 29.762 0.002 0.000 1.496 483 H HN 0.006 nan 8.280 nan 0.000 0.623 484 P HA 0.033 nan 4.420 nan 0.000 0.278 484 P C 0.005 177.328 177.300 0.039 0.000 1.270 484 P CA 0.032 63.172 63.100 0.067 0.000 0.800 484 P CB 0.397 32.128 31.700 0.051 0.000 1.142 485 S N -0.648 115.066 115.700 0.024 0.000 2.606 485 S HA 0.143 4.615 4.470 0.004 0.000 0.257 485 S C 1.150 175.758 174.600 0.013 0.000 1.327 485 S CA -0.381 57.827 58.200 0.013 0.000 0.984 485 S CB 0.231 63.436 63.200 0.008 0.000 0.941 485 S HN 0.251 nan 8.310 nan 0.000 0.576 486 R N 0.350 120.854 120.500 0.007 0.000 2.152 486 R HA -0.060 4.282 4.340 0.004 0.000 0.232 486 R C 2.495 178.800 176.300 0.008 0.000 1.117 486 R CA 1.128 57.232 56.100 0.007 0.000 0.981 486 R CB -0.942 29.359 30.300 0.002 0.000 0.870 486 R HN 0.763 nan 8.270 nan 0.000 0.451 487 A N 2.222 125.046 122.820 0.007 0.000 1.841 487 A HA -0.220 4.102 4.320 0.004 0.000 0.216 487 A C 2.067 179.655 177.584 0.008 0.000 1.199 487 A CA 1.736 53.776 52.037 0.005 0.000 0.621 487 A CB -0.449 18.553 19.000 0.003 0.000 0.835 487 A HN 0.348 nan 8.150 nan 0.000 0.445 488 R N 0.012 120.518 120.500 0.010 0.000 2.200 488 R HA -0.028 4.314 4.340 0.004 0.000 0.208 488 R C 2.096 178.407 176.300 0.017 0.000 1.033 488 R CA 1.080 57.187 56.100 0.011 0.000 1.000 488 R CB -0.419 29.887 30.300 0.010 0.000 0.906 488 R HN 0.718 nan 8.270 nan 0.000 0.462 489 R N 1.127 121.640 120.500 0.022 0.000 2.119 489 R HA 0.132 4.474 4.340 0.004 0.000 0.222 489 R C 2.110 178.426 176.300 0.026 0.000 1.088 489 R CA 1.058 57.176 56.100 0.030 0.000 0.984 489 R CB -0.318 30.004 30.300 0.037 0.000 0.884 489 R HN 0.140 nan 8.270 nan 0.000 0.447 490 A N 2.204 125.036 122.820 0.020 0.000 1.858 490 A HA -0.197 4.125 4.320 0.004 0.000 0.216 490 A C 2.165 179.759 177.584 0.018 0.000 1.190 490 A CA 1.793 53.841 52.037 0.018 0.000 0.617 490 A CB -0.492 18.516 19.000 0.013 0.000 0.827 490 A HN 0.344 nan 8.150 nan 0.000 0.443 491 K N 0.631 121.039 120.400 0.014 0.000 2.103 491 K HA -0.050 4.272 4.320 0.004 0.000 0.207 491 K C 1.775 178.384 176.600 0.015 0.000 1.048 491 K CA 1.984 58.278 56.287 0.012 0.000 0.930 491 K CB -0.689 31.816 32.500 0.008 0.000 0.716 491 K HN 0.334 nan 8.250 nan 0.000 0.444 492 A N 0.782 123.613 122.820 0.018 0.000 2.066 492 A HA -0.081 4.241 4.320 0.004 0.000 0.218 492 A C 1.967 179.565 177.584 0.024 0.000 1.157 492 A CA 1.457 53.505 52.037 0.020 0.000 0.670 492 A CB -0.532 18.481 19.000 0.022 0.000 0.804 492 A HN 0.524 nan 8.150 nan 0.000 0.453 493 R N 0.869 121.385 120.500 0.027 0.000 2.062 493 R HA -0.048 4.294 4.340 0.004 0.000 0.231 493 R C 1.929 178.244 176.300 0.026 0.000 1.136 493 R CA 2.149 58.269 56.100 0.033 0.000 0.948 493 R CB -0.850 29.472 30.300 0.038 0.000 0.845 493 R HN 0.360 nan 8.270 nan 0.000 0.430 494 K N 0.302 120.714 120.400 0.020 0.000 2.147 494 K HA -0.115 4.207 4.320 0.004 0.000 0.205 494 K C 2.228 178.830 176.600 0.003 0.000 1.049 494 K CA 1.506 57.800 56.287 0.011 0.000 0.936 494 K CB -0.104 32.402 32.500 0.011 0.000 0.722 494 K HN 0.290 nan 8.250 nan 0.000 0.446 495 R N 0.469 120.974 120.500 0.009 0.000 2.236 495 R HA -0.057 4.286 4.340 0.004 0.000 0.208 495 R C 1.979 178.285 176.300 0.009 0.000 1.036 495 R CA 0.354 56.460 56.100 0.009 0.000 1.001 495 R CB 0.043 30.351 30.300 0.014 0.000 0.896 495 R HN 0.188 nan 8.270 nan 0.000 0.464 496 L N 1.093 122.322 121.223 0.011 0.000 2.209 496 L HA 0.053 4.395 4.340 0.004 0.000 0.207 496 L C 1.352 178.220 176.870 -0.003 0.000 1.094 496 L CA 1.708 56.556 54.840 0.013 0.000 0.790 496 L CB -0.443 41.631 42.059 0.024 0.000 0.932 496 L HN -0.020 nan 8.230 nan 0.000 0.447 497 E N -0.386 119.804 120.200 -0.016 0.000 2.051 497 E HA -0.154 4.198 4.350 0.004 0.000 0.192 497 E C 2.255 178.795 176.600 -0.102 0.000 0.991 497 E CA 1.633 58.006 56.400 -0.045 0.000 0.799 497 E CB -0.502 29.171 29.700 -0.045 0.000 0.748 497 E HN 0.286 nan 8.360 nan 0.000 0.449 498 V N 0.406 120.250 119.914 -0.116 0.000 2.220 498 V HA -0.331 3.791 4.120 0.004 0.000 0.250 498 V C 2.352 178.325 176.094 -0.202 0.000 1.056 498 V CA 2.085 64.257 62.300 -0.213 0.000 1.016 498 V CB -1.008 30.753 31.823 -0.104 0.000 0.639 498 V HN 0.140 nan 8.190 nan 0.000 0.446 499 V N -0.356 119.557 119.914 -0.002 0.000 2.324 499 V HA -0.281 3.841 4.120 0.004 0.000 0.250 499 V C 2.640 178.773 176.094 0.065 0.000 1.060 499 V CA 2.034 64.403 62.300 0.114 0.000 1.042 499 V CB -1.001 30.870 31.823 0.079 0.000 0.650 499 V HN 0.394 nan 8.190 nan 0.000 0.450 500 R N 0.467 120.963 120.500 -0.006 0.000 2.103 500 R HA -0.180 4.162 4.340 0.004 0.000 0.234 500 R C 2.556 178.836 176.300 -0.033 0.000 1.132 500 R CA 2.001 58.094 56.100 -0.011 0.000 0.925 500 R CB -1.337 28.948 30.300 -0.025 0.000 0.842 500 R HN 0.537 nan 8.270 nan 0.000 0.430 501 A N 0.593 123.335 122.820 -0.129 0.000 1.915 501 A HA -0.226 4.096 4.320 0.004 0.000 0.220 501 A C 2.324 179.837 177.584 -0.119 0.000 1.198 501 A CA 1.810 53.734 52.037 -0.189 0.000 0.647 501 A CB -0.980 17.805 19.000 -0.359 0.000 0.825 501 A HN 0.339 nan 8.150 nan 0.000 0.456 502 F N -0.455 119.464 119.950 -0.052 0.000 2.010 502 F HA -0.200 4.329 4.527 0.003 0.000 0.296 502 F C 2.369 178.147 175.800 -0.037 0.000 1.146 502 F CA 1.397 59.361 58.000 -0.060 0.000 1.181 502 F CB -0.431 38.514 39.000 -0.091 0.000 0.965 502 F HN 0.120 nan 8.300 nan 0.000 0.480 503 L N -0.282 121.070 121.223 0.216 0.000 2.013 503 L HA -0.291 4.051 4.340 0.004 0.000 0.212 503 L C 2.198 179.115 176.870 0.079 0.000 1.073 503 L CA 1.377 56.282 54.840 0.109 0.000 0.753 503 L CB -0.649 41.455 42.059 0.074 0.000 0.890 503 L HN 0.215 nan 8.230 nan 0.000 0.432 504 D N -0.608 119.828 120.400 0.060 0.000 2.088 504 D HA -0.217 4.425 4.640 0.004 0.000 0.191 504 D C 2.342 178.668 176.300 0.044 0.000 0.992 504 D CA 1.890 55.912 54.000 0.036 0.000 0.831 504 D CB 0.054 40.861 40.800 0.011 0.000 0.973 504 D HN 0.142 nan 8.370 nan 0.000 0.447 505 S N -1.435 114.293 115.700 0.048 0.000 2.428 505 S HA 0.109 4.581 4.470 0.004 0.000 0.230 505 S C 1.310 175.960 174.600 0.084 0.000 1.014 505 S CA 1.880 60.113 58.200 0.056 0.000 0.957 505 S CB -0.045 63.184 63.200 0.047 0.000 0.784 505 S HN 0.586 nan 8.310 nan 0.000 0.499 506 G N 1.266 110.130 108.800 0.107 0.000 2.601 506 G HA2 -0.204 3.759 3.960 0.004 0.000 0.233 506 G HA3 -0.204 3.759 3.960 0.004 0.000 0.233 506 G C -0.483 174.513 174.900 0.162 0.000 1.896 506 G CA -0.314 44.857 45.100 0.119 0.000 1.514 506 G HN 0.521 nan 8.290 nan 0.000 0.512 507 N N 2.310 121.132 118.700 0.203 0.000 1.661 507 N HA -0.041 4.702 4.740 0.004 0.000 0.331 507 N C 0.518 176.146 175.510 0.197 0.000 1.293 507 N CA 0.689 53.920 53.050 0.302 0.000 0.828 507 N CB 0.076 38.752 38.487 0.314 0.000 1.096 507 N HN 0.454 nan 8.380 nan 0.000 0.505 508 R N 3.307 123.842 120.500 0.058 0.000 2.641 508 R HA 0.066 4.408 4.340 0.004 0.000 0.269 508 R C -1.109 174.383 176.300 -1.346 0.000 1.074 508 R CA -1.249 54.527 56.100 -0.539 0.000 1.133 508 R CB 0.409 30.453 30.300 -0.427 0.000 1.029 508 R HN 0.447 nan 8.270 nan 0.000 0.488 509 P HA -0.031 nan 4.420 nan 0.000 0.242 509 P C -0.176 176.494 177.300 -1.049 0.000 1.197 509 P CA 0.808 62.954 63.100 -1.590 0.000 0.765 509 P CB 0.399 30.933 31.700 -1.944 0.000 0.936 510 E N -0.610 118.788 120.200 -1.337 0.000 2.478 510 E HA -0.087 4.265 4.350 0.004 0.000 0.198 510 E C 1.067 177.575 176.600 -0.154 0.000 1.046 510 E CA 0.835 56.826 56.400 -0.681 0.000 0.870 510 E CB -0.774 28.629 29.700 -0.495 0.000 0.818 510 E HN 0.560 nan 8.360 nan 0.000 0.527 511 W N -0.653 120.624 121.300 -0.039 0.000 3.256 511 W HA 0.220 4.882 4.660 0.003 0.000 0.269 511 W C 1.704 178.282 176.519 0.097 0.000 1.310 511 W CA -0.593 56.768 57.345 0.025 0.000 1.673 511 W CB -0.146 29.341 29.460 0.045 0.000 1.115 511 W HN 0.017 nan 8.180 nan 0.000 0.686 512 M N 1.206 120.921 119.600 0.190 0.000 2.374 512 M HA -0.038 4.444 4.480 0.004 0.000 0.264 512 M C 0.773 177.196 176.300 0.205 0.000 1.067 512 M CA 1.258 56.728 55.300 0.284 0.000 1.103 512 M CB -0.178 32.572 32.600 0.250 0.000 1.402 512 M HN -0.005 nan 8.290 nan 0.000 0.444 513 I N -0.308 120.343 120.570 0.136 0.000 2.472 513 I HA 0.284 4.456 4.170 0.004 0.000 0.290 513 I C -0.892 175.276 176.117 0.084 0.000 1.016 513 I CA -0.665 60.682 61.300 0.078 0.000 1.348 513 I CB 0.687 38.713 38.000 0.043 0.000 1.417 513 I HN -0.089 nan 8.210 nan 0.000 0.521 514 L N 5.621 126.866 121.223 0.035 0.000 2.272 514 L HA 0.390 4.732 4.340 0.004 0.000 0.289 514 L C 0.815 177.694 176.870 0.015 0.000 1.032 514 L CA 0.000 54.852 54.840 0.020 0.000 0.810 514 L CB 1.194 43.236 42.059 -0.029 0.000 1.205 514 L HN 0.816 nan 8.230 nan 0.000 0.422 515 E N 2.057 122.268 120.200 0.018 0.000 2.541 515 E HA 0.354 4.706 4.350 0.004 0.000 0.219 515 E C 0.071 176.678 176.600 0.010 0.000 0.922 515 E CA -0.250 56.157 56.400 0.012 0.000 1.095 515 E CB 1.097 30.805 29.700 0.012 0.000 1.112 515 E HN 0.468 nan 8.360 nan 0.000 0.516 516 A N 1.447 124.273 122.820 0.010 0.000 2.375 516 A HA 0.505 4.827 4.320 0.004 0.000 0.291 516 A C -0.893 176.718 177.584 0.044 0.000 1.160 516 A CA -0.570 51.483 52.037 0.026 0.000 0.747 516 A CB 1.684 20.676 19.000 -0.014 0.000 1.170 516 A HN 0.061 nan 8.150 nan 0.000 0.458 517 V N 5.403 125.360 119.914 0.072 0.000 2.334 517 V HA 0.274 4.396 4.120 0.004 0.000 0.267 517 V C -2.253 173.936 176.094 0.159 0.000 1.040 517 V CA -1.525 60.831 62.300 0.092 0.000 0.866 517 V CB 1.194 33.065 31.823 0.081 0.000 1.019 517 V HN 0.711 nan 8.190 nan 0.000 0.468 518 P HA 0.121 nan 4.420 nan 0.000 0.271 518 P C -0.482 176.988 177.300 0.283 0.000 1.220 518 P CA 0.143 63.415 63.100 0.286 0.000 0.768 518 P CB 0.666 32.616 31.700 0.417 0.000 0.848 519 V N 5.062 125.139 119.914 0.271 0.000 2.481 519 V HA 0.186 4.308 4.120 0.004 0.000 0.286 519 V C 0.648 176.931 176.094 0.314 0.000 1.042 519 V CA -0.697 61.736 62.300 0.222 0.000 0.928 519 V CB 1.211 33.075 31.823 0.068 0.000 0.986 519 V HN 0.413 nan 8.190 nan 0.000 0.462 520 L N 8.351 129.777 121.223 0.339 0.000 2.452 520 L HA 0.445 4.787 4.340 0.004 0.000 0.267 520 L C -2.027 174.808 176.870 -0.057 0.000 1.188 520 L CA -0.971 53.968 54.840 0.165 0.000 0.821 520 L CB 0.404 42.544 42.059 0.136 0.000 1.102 520 L HN 0.421 nan 8.230 nan 0.000 0.470 521 P HA 0.018 nan 4.420 nan 0.000 0.267 521 P C -2.413 174.459 177.300 -0.713 0.000 1.201 521 P CA -0.853 61.980 63.100 -0.445 0.000 0.775 521 P CB -0.151 31.424 31.700 -0.208 0.000 0.854 522 P HA -0.149 nan 4.420 nan 0.000 0.214 522 P C 0.993 177.602 177.300 -1.152 0.000 1.162 522 P CA 1.500 63.831 63.100 -1.283 0.000 0.871 522 P CB 0.013 30.832 31.700 -1.469 0.000 0.783 523 D N -1.053 118.853 120.400 -0.822 0.000 2.309 523 D HA -0.104 4.538 4.640 0.004 0.000 0.212 523 D C 1.903 178.025 176.300 -0.296 0.000 0.968 523 D CA 0.388 54.084 54.000 -0.507 0.000 0.882 523 D CB -0.469 40.111 40.800 -0.366 0.000 0.918 523 D HN -0.053 nan 8.370 nan 0.000 0.503 524 L N 0.728 121.782 121.223 -0.281 0.000 2.056 524 L HA -0.044 4.298 4.340 0.004 0.000 0.207 524 L C 1.087 177.911 176.870 -0.077 0.000 1.078 524 L CA 1.214 55.961 54.840 -0.154 0.000 0.749 524 L CB -0.200 41.781 42.059 -0.130 0.000 0.901 524 L HN 0.039 nan 8.230 nan 0.000 0.433 525 R N -0.259 120.217 120.500 -0.040 0.000 3.436 525 R HA 0.365 4.707 4.340 0.004 0.000 0.247 525 R C -2.663 173.772 176.300 0.225 0.000 1.434 525 R CA -2.500 53.644 56.100 0.074 0.000 1.543 525 R CB -1.403 28.953 30.300 0.093 0.000 1.289 525 R HN 0.075 nan 8.270 nan 0.000 0.664 526 P HA -0.165 nan 4.420 nan 0.000 0.264 526 P C -0.470 176.975 177.300 0.241 0.000 1.156 526 P CA 0.533 63.771 63.100 0.230 0.000 0.756 526 P CB 0.313 32.078 31.700 0.109 0.000 0.764 527 M N 5.068 124.828 119.600 0.266 0.000 2.158 527 M HA 0.271 4.753 4.480 0.004 0.000 0.326 527 M C -1.453 174.922 176.300 0.126 0.000 1.014 527 M CA -0.391 54.916 55.300 0.012 0.000 0.961 527 M CB 0.355 32.677 32.600 -0.464 0.000 1.327 527 M HN -0.066 nan 8.290 nan 0.000 0.393 528 V N 2.461 122.487 119.914 0.186 0.000 2.769 528 V HA 0.451 4.573 4.120 0.004 0.000 0.312 528 V C -0.215 176.086 176.094 0.346 0.000 1.058 528 V CA -0.856 61.578 62.300 0.223 0.000 0.952 528 V CB 2.094 33.993 31.823 0.127 0.000 1.019 528 V HN 0.634 nan 8.190 nan 0.000 0.445 529 Q N 1.816 121.755 119.800 0.230 0.000 2.307 529 Q HA 0.363 4.705 4.340 0.004 0.000 0.259 529 Q C -0.217 175.704 176.000 -0.132 0.000 0.998 529 Q CA -0.253 55.491 55.803 -0.097 0.000 0.923 529 Q CB 1.411 30.105 28.738 -0.075 0.000 1.196 529 Q HN 0.645 nan 8.270 nan 0.000 0.416 530 V N 3.233 123.019 119.914 -0.214 0.000 2.686 530 V HA 0.145 4.267 4.120 0.004 0.000 0.213 530 V C 0.113 176.125 176.094 -0.136 0.000 1.163 530 V CA 0.769 62.995 62.300 -0.123 0.000 1.208 530 V CB 0.058 31.828 31.823 -0.087 0.000 0.840 530 V HN 0.927 nan 8.190 nan 0.000 0.505 531 D N -2.055 118.255 120.400 -0.150 0.000 2.964 531 D HA 0.493 5.135 4.640 0.004 0.000 0.234 531 D C 0.515 176.737 176.300 -0.129 0.000 1.223 531 D CA 0.388 54.318 54.000 -0.117 0.000 0.889 531 D CB 1.549 42.305 40.800 -0.074 0.000 1.609 531 D HN 0.611 nan 8.370 nan 0.000 0.523 532 G N 2.287 111.019 108.800 -0.113 0.000 2.270 532 G HA2 -0.175 3.788 3.960 0.004 0.000 0.268 532 G HA3 -0.175 3.788 3.960 0.004 0.000 0.268 532 G C 1.034 175.855 174.900 -0.132 0.000 0.982 532 G CA 0.662 45.703 45.100 -0.098 0.000 0.628 532 G HN 1.759 nan 8.290 nan 0.000 0.544 533 G N -1.574 107.088 108.800 -0.230 0.000 2.370 533 G HA2 -0.016 3.946 3.960 0.004 0.000 0.174 533 G HA3 -0.016 3.946 3.960 0.004 0.000 0.174 533 G C 0.213 174.836 174.900 -0.461 0.000 1.002 533 G CA 0.423 45.326 45.100 -0.329 0.000 0.730 533 G HN 0.853 nan 8.290 nan 0.000 0.497 534 R N -0.216 120.085 120.500 -0.333 0.000 2.590 534 R HA 0.552 4.894 4.340 0.004 0.000 0.274 534 R C -0.825 175.271 176.300 -0.340 0.000 1.061 534 R CA 0.320 56.288 56.100 -0.220 0.000 1.081 534 R CB 0.318 30.547 30.300 -0.118 0.000 0.984 534 R HN 0.085 nan 8.270 nan 0.000 0.448 535 F N 0.742 120.684 119.950 -0.013 0.000 2.507 535 F HA 0.512 5.041 4.527 0.003 0.000 0.325 535 F C 0.023 175.812 175.800 -0.017 0.000 1.116 535 F CA -0.758 57.233 58.000 -0.015 0.000 0.930 535 F CB 2.064 41.051 39.000 -0.022 0.000 1.146 535 F HN 0.535 nan 8.300 nan 0.000 0.447 536 A N 2.232 125.172 122.820 0.199 0.000 2.330 536 A HA 0.803 5.126 4.320 0.004 0.000 0.327 536 A C -0.501 177.139 177.584 0.092 0.000 1.155 536 A CA -0.498 51.604 52.037 0.108 0.000 0.803 536 A CB 1.502 20.542 19.000 0.067 0.000 1.208 536 A HN 0.662 nan 8.150 nan 0.000 0.477 537 T N 0.375 114.962 114.554 0.055 0.000 2.883 537 T HA 0.490 4.842 4.350 0.004 0.000 0.301 537 T C -0.319 174.403 174.700 0.037 0.000 1.158 537 T CA -0.243 61.879 62.100 0.037 0.000 1.007 537 T CB 1.451 70.305 68.868 -0.022 0.000 1.186 537 T HN 0.609 nan 8.240 nan 0.000 0.499 538 S N 2.012 117.742 115.700 0.049 0.000 2.481 538 S HA 0.110 4.582 4.470 0.004 0.000 0.276 538 S C 0.905 175.517 174.600 0.020 0.000 1.247 538 S CA -0.295 57.925 58.200 0.034 0.000 1.053 538 S CB 0.404 63.627 63.200 0.038 0.000 0.925 538 S HN 0.769 nan 8.310 nan 0.000 0.491 539 D N 3.419 123.824 120.400 0.008 0.000 2.276 539 D HA -0.167 4.475 4.640 0.004 0.000 0.200 539 D C 1.535 177.826 176.300 -0.016 0.000 1.004 539 D CA 1.228 55.228 54.000 -0.000 0.000 0.898 539 D CB -0.106 40.693 40.800 -0.002 0.000 0.906 539 D HN 0.504 nan 8.370 nan 0.000 0.457 540 L N 0.579 121.779 121.223 -0.038 0.000 2.189 540 L HA -0.188 4.154 4.340 0.004 0.000 0.214 540 L C 2.031 178.850 176.870 -0.085 0.000 1.097 540 L CA 1.151 55.924 54.840 -0.113 0.000 0.764 540 L CB -0.629 41.330 42.059 -0.167 0.000 0.900 540 L HN 0.125 nan 8.230 nan 0.000 0.436 541 N N 0.145 118.860 118.700 0.025 0.000 2.166 541 N HA -0.180 4.562 4.740 0.004 0.000 0.186 541 N C 1.375 176.940 175.510 0.091 0.000 1.019 541 N CA 1.652 54.771 53.050 0.115 0.000 0.856 541 N CB -0.340 38.198 38.487 0.085 0.000 0.993 541 N HN 0.463 nan 8.380 nan 0.000 0.426 542 D N 1.259 121.682 120.400 0.038 0.000 2.104 542 D HA -0.116 4.526 4.640 0.004 0.000 0.194 542 D C 2.176 178.502 176.300 0.043 0.000 0.994 542 D CA 0.711 54.730 54.000 0.031 0.000 0.830 542 D CB -0.458 40.349 40.800 0.012 0.000 0.959 542 D HN 0.221 nan 8.370 nan 0.000 0.452 543 L N -0.534 120.702 121.223 0.021 0.000 2.017 543 L HA -0.193 4.150 4.340 0.004 0.000 0.208 543 L C 2.339 179.271 176.870 0.102 0.000 1.073 543 L CA 0.980 55.831 54.840 0.018 0.000 0.745 543 L CB -0.524 41.501 42.059 -0.057 0.000 0.894 543 L HN 0.066 nan 8.230 nan 0.000 0.432 544 Y N 1.082 121.394 120.300 0.021 0.000 2.193 544 Y HA -0.270 4.282 4.550 0.003 0.000 0.285 544 Y C 2.781 178.696 175.900 0.025 0.000 1.166 544 Y CA 1.237 59.354 58.100 0.028 0.000 1.181 544 Y CB -0.616 37.869 38.460 0.042 0.000 0.976 544 Y HN 0.135 nan 8.280 nan 0.000 0.520 545 R N -0.322 120.293 120.500 0.192 0.000 2.082 545 R HA -0.182 4.161 4.340 0.004 0.000 0.234 545 R C 2.332 178.679 176.300 0.078 0.000 1.136 545 R CA 1.666 57.826 56.100 0.101 0.000 0.935 545 R CB -0.475 29.863 30.300 0.064 0.000 0.842 545 R HN 0.290 nan 8.270 nan 0.000 0.430 546 R N 0.679 121.222 120.500 0.072 0.000 2.136 546 R HA -0.228 4.114 4.340 0.004 0.000 0.242 546 R C 2.394 178.728 176.300 0.057 0.000 1.131 546 R CA 1.857 57.988 56.100 0.052 0.000 0.937 546 R CB -1.007 29.318 30.300 0.042 0.000 0.863 546 R HN 0.150 nan 8.270 nan 0.000 0.435 547 L N 1.244 122.519 121.223 0.085 0.000 1.989 547 L HA -0.191 4.151 4.340 0.004 0.000 0.211 547 L C 2.285 179.190 176.870 0.058 0.000 1.071 547 L CA 1.686 56.575 54.840 0.082 0.000 0.749 547 L CB -0.640 41.500 42.059 0.134 0.000 0.890 547 L HN 0.179 nan 8.230 nan 0.000 0.431 548 I N 0.107 120.712 120.570 0.059 0.000 2.087 548 I HA -0.396 3.776 4.170 0.004 0.000 0.240 548 I C 2.307 178.433 176.117 0.016 0.000 1.054 548 I CA 2.149 63.462 61.300 0.022 0.000 1.311 548 I CB -1.262 36.745 38.000 0.012 0.000 1.024 548 I HN 0.502 nan 8.210 nan 0.000 0.402 549 N N -0.010 118.703 118.700 0.022 0.000 2.043 549 N HA -0.237 4.505 4.740 0.004 0.000 0.193 549 N C 1.965 177.484 175.510 0.014 0.000 1.037 549 N CA 1.216 54.275 53.050 0.015 0.000 0.851 549 N CB -0.135 38.362 38.487 0.017 0.000 1.027 549 N HN 0.184 nan 8.380 nan 0.000 0.422 550 R N 1.147 121.659 120.500 0.019 0.000 2.096 550 R HA -0.119 4.223 4.340 0.004 0.000 0.240 550 R C 1.898 178.206 176.300 0.015 0.000 1.139 550 R CA 1.435 57.545 56.100 0.018 0.000 0.952 550 R CB -0.434 29.879 30.300 0.023 0.000 0.854 550 R HN 0.218 nan 8.270 nan 0.000 0.436 551 N N -0.069 118.640 118.700 0.015 0.000 2.104 551 N HA -0.145 4.597 4.740 0.004 0.000 0.190 551 N C 1.206 176.717 175.510 0.002 0.000 1.024 551 N CA 1.702 54.758 53.050 0.009 0.000 0.853 551 N CB -0.258 38.233 38.487 0.006 0.000 1.008 551 N HN 0.194 nan 8.380 nan 0.000 0.424 552 N N 0.193 118.893 118.700 -0.001 0.000 2.028 552 N HA -0.099 4.643 4.740 0.004 0.000 0.194 552 N C 1.606 177.115 175.510 -0.001 0.000 1.050 552 N CA 0.940 53.987 53.050 -0.005 0.000 0.848 552 N CB -0.254 38.230 38.487 -0.005 0.000 1.038 552 N HN 0.175 nan 8.380 nan 0.000 0.423 553 R N 0.214 120.715 120.500 0.002 0.000 2.154 553 R HA -0.162 4.180 4.340 0.004 0.000 0.248 553 R C 1.842 178.145 176.300 0.004 0.000 1.155 553 R CA 1.033 57.136 56.100 0.004 0.000 0.979 553 R CB -0.427 29.877 30.300 0.006 0.000 0.869 553 R HN 0.209 nan 8.270 nan 0.000 0.452 554 L N 1.391 122.617 121.223 0.006 0.000 2.005 554 L HA -0.137 4.205 4.340 0.004 0.000 0.207 554 L C 1.891 178.764 176.870 0.004 0.000 1.072 554 L CA 1.862 56.707 54.840 0.007 0.000 0.744 554 L CB -0.473 41.592 42.059 0.010 0.000 0.895 554 L HN 0.016 nan 8.230 nan 0.000 0.433 555 K N -0.400 120.000 120.400 0.001 0.000 2.059 555 K HA -0.251 4.071 4.320 0.004 0.000 0.212 555 K C 2.127 178.726 176.600 -0.002 0.000 1.050 555 K CA 2.064 58.350 56.287 -0.002 0.000 0.927 555 K CB -0.247 32.249 32.500 -0.007 0.000 0.714 555 K HN 0.332 nan 8.250 nan 0.000 0.447 556 K N 0.622 121.021 120.400 -0.002 0.000 2.097 556 K HA -0.043 4.279 4.320 0.004 0.000 0.205 556 K C 2.023 178.623 176.600 0.001 0.000 1.050 556 K CA 0.862 57.148 56.287 -0.001 0.000 0.938 556 K CB -0.011 32.488 32.500 -0.002 0.000 0.718 556 K HN 0.143 nan 8.250 nan 0.000 0.442 557 L N 0.890 122.115 121.223 0.002 0.000 2.376 557 L HA -0.084 4.258 4.340 0.004 0.000 0.219 557 L C 1.987 178.860 176.870 0.004 0.000 1.133 557 L CA 0.659 55.501 54.840 0.004 0.000 0.816 557 L CB -0.300 41.762 42.059 0.005 0.000 0.933 557 L HN 0.186 nan 8.230 nan 0.000 0.449 558 L N -0.727 120.498 121.223 0.004 0.000 2.127 558 L HA 0.011 4.353 4.340 0.004 0.000 0.203 558 L C 2.839 179.711 176.870 0.003 0.000 1.080 558 L CA 0.828 55.671 54.840 0.005 0.000 0.768 558 L CB -0.690 41.371 42.059 0.005 0.000 0.924 558 L HN 0.127 nan 8.230 nan 0.000 0.444 559 A N -0.145 122.676 122.820 0.001 0.000 1.872 559 A HA -0.200 4.122 4.320 0.004 0.000 0.214 559 A C 2.245 179.829 177.584 0.000 0.000 1.187 559 A CA 1.283 53.320 52.037 0.000 0.000 0.614 559 A CB -0.451 18.548 19.000 -0.002 0.000 0.826 559 A HN 0.371 nan 8.150 nan 0.000 0.442 560 Q N -1.022 118.778 119.800 0.000 0.000 2.014 560 Q HA 0.142 4.484 4.340 0.004 0.000 0.207 560 Q C 0.898 176.899 176.000 0.001 0.000 0.993 560 Q CA 1.404 57.208 55.803 0.000 0.000 0.850 560 Q CB -0.157 28.582 28.738 0.000 0.000 0.916 560 Q HN 0.726 nan 8.270 nan 0.000 0.417 561 G N -2.085 106.716 108.800 0.002 0.000 2.404 561 G HA2 0.504 4.466 3.960 0.004 0.000 0.298 561 G HA3 0.504 4.466 3.960 0.004 0.000 0.298 561 G C -2.014 172.888 174.900 0.003 0.000 1.577 561 G CA -0.302 44.799 45.100 0.002 0.000 0.847 561 G HN 0.202 nan 8.290 nan 0.000 0.598 562 A N 2.283 125.105 122.820 0.004 0.000 2.586 562 A HA 0.798 5.120 4.320 0.004 0.000 0.320 562 A C -2.325 175.262 177.584 0.005 0.000 1.281 562 A CA -1.321 50.719 52.037 0.005 0.000 0.775 562 A CB 0.781 19.786 19.000 0.008 0.000 1.122 562 A HN 0.495 nan 8.150 nan 0.000 0.470 563 P HA 0.141 nan 4.420 nan 0.000 0.287 563 P C 0.790 178.094 177.300 0.006 0.000 1.307 563 P CA -0.143 62.959 63.100 0.004 0.000 0.777 563 P CB 1.442 33.143 31.700 0.002 0.000 0.883 564 E N 2.372 122.577 120.200 0.008 0.000 2.164 564 E HA -0.267 4.085 4.350 0.004 0.000 0.233 564 E C 1.605 178.211 176.600 0.011 0.000 1.073 564 E CA 2.136 58.542 56.400 0.011 0.000 0.941 564 E CB -0.383 29.324 29.700 0.011 0.000 0.820 564 E HN 0.439 nan 8.360 nan 0.000 0.486 565 I N 0.886 121.462 120.570 0.009 0.000 2.093 565 I HA -0.344 3.828 4.170 0.004 0.000 0.239 565 I C 2.652 178.775 176.117 0.009 0.000 1.026 565 I CA 1.862 63.167 61.300 0.009 0.000 1.295 565 I CB -0.788 37.217 38.000 0.008 0.000 1.007 565 I HN 0.170 nan 8.210 nan 0.000 0.401 566 I N 0.004 120.579 120.570 0.009 0.000 2.493 566 I HA -0.220 3.952 4.170 0.004 0.000 0.254 566 I C 2.347 178.471 176.117 0.011 0.000 1.160 566 I CA 1.156 62.461 61.300 0.009 0.000 1.445 566 I CB -0.436 37.569 38.000 0.007 0.000 1.086 566 I HN 0.250 nan 8.210 nan 0.000 0.433 567 I N 0.243 120.820 120.570 0.011 0.000 2.163 567 I HA -0.246 3.926 4.170 0.004 0.000 0.240 567 I C 2.772 178.899 176.117 0.016 0.000 1.081 567 I CA 1.147 62.455 61.300 0.014 0.000 1.353 567 I CB -0.592 37.417 38.000 0.015 0.000 1.054 567 I HN 0.118 nan 8.210 nan 0.000 0.407 568 R N 1.993 122.502 120.500 0.015 0.000 2.070 568 R HA -0.156 4.186 4.340 0.004 0.000 0.233 568 R C 1.997 178.310 176.300 0.022 0.000 1.137 568 R CA 1.887 57.997 56.100 0.016 0.000 0.945 568 R CB -0.799 29.503 30.300 0.003 0.000 0.845 568 R HN 0.295 nan 8.270 nan 0.000 0.430 569 N N 0.407 119.117 118.700 0.017 0.000 2.096 569 N HA -0.243 4.499 4.740 0.004 0.000 0.195 569 N C 1.541 177.064 175.510 0.022 0.000 1.017 569 N CA 1.903 54.965 53.050 0.019 0.000 0.870 569 N CB -0.324 38.172 38.487 0.015 0.000 1.024 569 N HN 0.474 nan 8.380 nan 0.000 0.434 570 E N 0.841 121.053 120.200 0.020 0.000 2.028 570 E HA -0.066 4.286 4.350 0.004 0.000 0.190 570 E C 1.449 178.065 176.600 0.028 0.000 0.984 570 E CA 1.076 57.489 56.400 0.020 0.000 0.800 570 E CB 0.042 29.752 29.700 0.017 0.000 0.758 570 E HN 0.069 nan 8.360 nan 0.000 0.448 571 K N 0.788 121.206 120.400 0.031 0.000 2.127 571 K HA -0.216 4.106 4.320 0.004 0.000 0.208 571 K C 2.233 178.869 176.600 0.061 0.000 1.047 571 K CA 1.617 57.929 56.287 0.041 0.000 0.927 571 K CB -0.422 32.102 32.500 0.040 0.000 0.716 571 K HN 0.232 nan 8.250 nan 0.000 0.450 572 R N 0.538 121.075 120.500 0.061 0.000 2.088 572 R HA -0.058 4.284 4.340 0.004 0.000 0.232 572 R C 2.644 178.974 176.300 0.050 0.000 1.136 572 R CA 1.961 58.108 56.100 0.078 0.000 0.926 572 R CB -0.508 29.828 30.300 0.059 0.000 0.837 572 R HN 0.179 nan 8.270 nan 0.000 0.429 573 M N 0.515 120.131 119.600 0.027 0.000 2.143 573 M HA -0.218 4.264 4.480 0.004 0.000 0.258 573 M C 2.340 178.652 176.300 0.020 0.000 1.071 573 M CA 1.430 56.738 55.300 0.012 0.000 1.088 573 M CB -0.514 32.093 32.600 0.012 0.000 1.360 573 M HN 0.146 nan 8.290 nan 0.000 0.404 574 L N 0.502 121.745 121.223 0.034 0.000 1.976 574 L HA -0.237 4.105 4.340 0.004 0.000 0.209 574 L C 2.512 179.413 176.870 0.052 0.000 1.071 574 L CA 2.093 56.956 54.840 0.039 0.000 0.746 574 L CB -0.956 41.126 42.059 0.038 0.000 0.890 574 L HN 0.339 nan 8.230 nan 0.000 0.432 575 Q N -0.609 119.240 119.800 0.081 0.000 2.062 575 Q HA -0.313 4.029 4.340 0.004 0.000 0.209 575 Q C 2.249 178.311 176.000 0.104 0.000 0.996 575 Q CA 2.486 58.368 55.803 0.132 0.000 0.859 575 Q CB -0.476 28.412 28.738 0.251 0.000 0.920 575 Q HN 0.653 nan 8.270 nan 0.000 0.415 576 E N 0.003 120.218 120.200 0.026 0.000 2.065 576 E HA -0.293 4.059 4.350 0.004 0.000 0.201 576 E C 1.815 178.407 176.600 -0.012 0.000 1.016 576 E CA 1.690 58.050 56.400 -0.066 0.000 0.818 576 E CB -0.368 29.267 29.700 -0.108 0.000 0.749 576 E HN 0.469 nan 8.360 nan 0.000 0.453 577 A N 0.947 123.771 122.820 0.008 0.000 1.917 577 A HA -0.166 4.156 4.320 0.004 0.000 0.219 577 A C 2.611 180.214 177.584 0.031 0.000 1.182 577 A CA 1.995 54.044 52.037 0.020 0.000 0.633 577 A CB -0.901 18.118 19.000 0.031 0.000 0.819 577 A HN 0.243 nan 8.150 nan 0.000 0.448 578 V N 0.865 120.803 119.914 0.039 0.000 2.568 578 V HA -0.269 3.853 4.120 0.004 0.000 0.253 578 V C 2.007 178.117 176.094 0.027 0.000 1.072 578 V CA 2.222 64.541 62.300 0.030 0.000 1.084 578 V CB -0.942 30.898 31.823 0.027 0.000 0.676 578 V HN 0.549 nan 8.190 nan 0.000 0.469 579 D N 0.775 121.209 120.400 0.056 0.000 2.097 579 D HA -0.082 4.560 4.640 0.004 0.000 0.197 579 D C 2.303 178.637 176.300 0.057 0.000 0.984 579 D CA 1.535 55.585 54.000 0.083 0.000 0.826 579 D CB -0.680 40.173 40.800 0.088 0.000 0.973 579 D HN 0.400 nan 8.370 nan 0.000 0.460 580 A N 1.796 124.632 122.820 0.027 0.000 1.882 580 A HA -0.260 4.062 4.320 0.004 0.000 0.220 580 A C 2.370 179.953 177.584 -0.001 0.000 1.253 580 A CA 2.602 54.646 52.037 0.012 0.000 0.664 580 A CB -1.317 17.684 19.000 0.002 0.000 0.838 580 A HN 0.422 nan 8.150 nan 0.000 0.460 581 L N -1.539 119.666 121.223 -0.030 0.000 2.017 581 L HA -0.121 4.221 4.340 0.004 0.000 0.208 581 L C 2.370 179.205 176.870 -0.057 0.000 1.073 581 L CA 1.970 56.751 54.840 -0.097 0.000 0.745 581 L CB -0.600 41.356 42.059 -0.171 0.000 0.894 581 L HN 0.400 nan 8.230 nan 0.000 0.432 582 L N -0.391 120.820 121.223 -0.020 0.000 1.973 582 L HA 0.011 4.354 4.340 0.004 0.000 0.208 582 L C 0.762 177.733 176.870 0.168 0.000 1.073 582 L CA 1.312 56.169 54.840 0.028 0.000 0.746 582 L CB -0.504 41.556 42.059 0.001 0.000 0.891 582 L HN 0.394 nan 8.230 nan 0.000 0.433 583 D N -0.613 119.904 120.400 0.195 0.000 2.736 583 D HA 0.171 4.813 4.640 0.004 0.000 0.243 583 D C -1.454 174.924 176.300 0.130 0.000 1.304 583 D CA -0.356 53.774 54.000 0.216 0.000 0.934 583 D CB 1.552 42.536 40.800 0.308 0.000 1.382 583 D HN -0.008 nan 8.370 nan 0.000 0.571 584 N N 1.476 120.231 118.700 0.091 0.000 2.473 584 N HA 0.522 5.264 4.740 0.004 0.000 0.291 584 N C 0.977 176.518 175.510 0.052 0.000 1.083 584 N CA 0.616 53.700 53.050 0.056 0.000 0.951 584 N CB 1.126 39.635 38.487 0.036 0.000 1.164 584 N HN 0.563 nan 8.380 nan 0.000 0.480 585 G N 2.210 111.032 108.800 0.037 0.000 2.254 585 G HA2 -0.269 3.693 3.960 0.004 0.000 0.225 585 G HA3 -0.269 3.693 3.960 0.004 0.000 0.225 585 G C 1.209 176.131 174.900 0.037 0.000 1.003 585 G CA -0.024 45.094 45.100 0.031 0.000 0.622 585 G HN 0.576 nan 8.290 nan 0.000 0.507 586 R N 0.104 120.639 120.500 0.058 0.000 2.120 586 R HA 0.020 4.362 4.340 0.004 0.000 0.234 586 R C 1.290 177.632 176.300 0.071 0.000 1.123 586 R CA 1.372 57.514 56.100 0.070 0.000 0.975 586 R CB 0.019 30.382 30.300 0.106 0.000 0.866 586 R HN 0.329 nan 8.270 nan 0.000 0.446 587 R N -0.114 120.413 120.500 0.045 0.000 2.521 587 R HA 0.251 4.594 4.340 0.004 0.000 0.295 587 R C -0.973 175.302 176.300 -0.042 0.000 1.183 587 R CA 0.498 56.595 56.100 -0.005 0.000 0.957 587 R CB 1.149 31.400 30.300 -0.081 0.000 1.171 587 R HN 0.269 nan 8.270 nan 0.000 0.494 588 G N 2.076 110.861 108.800 -0.024 0.000 2.916 588 G HA2 0.088 4.050 3.960 0.004 0.000 0.533 588 G HA3 0.088 4.050 3.960 0.004 0.000 0.533 588 G C -0.790 174.102 174.900 -0.014 0.000 1.516 588 G CA -0.339 44.745 45.100 -0.026 0.000 0.944 588 G HN 1.000 nan 8.290 nan 0.000 0.555 589 A N 1.646 124.460 122.820 -0.010 0.000 2.375 589 A HA 0.801 5.123 4.320 0.004 0.000 0.291 589 A C -1.932 175.650 177.584 -0.004 0.000 1.160 589 A CA -1.106 50.930 52.037 -0.002 0.000 0.747 589 A CB 1.502 20.505 19.000 0.004 0.000 1.170 589 A HN 0.643 nan 8.150 nan 0.000 0.458 590 P HA 0.337 nan 4.420 nan 0.000 0.269 590 P C -0.402 176.898 177.300 -0.001 0.000 1.209 590 P CA 0.009 63.106 63.100 -0.004 0.000 0.776 590 P CB 1.066 32.763 31.700 -0.004 0.000 0.876 591 V N -0.474 119.439 119.914 -0.001 0.000 2.709 591 V HA 0.509 4.631 4.120 0.004 0.000 0.308 591 V C -0.205 175.890 176.094 0.002 0.000 1.062 591 V CA -0.611 61.690 62.300 0.001 0.000 0.901 591 V CB 1.643 33.466 31.823 0.001 0.000 1.003 591 V HN 0.417 nan 8.190 nan 0.000 0.425 592 T N 4.237 118.792 114.554 0.003 0.000 2.940 592 T HA 0.143 4.495 4.350 0.004 0.000 0.309 592 T C 0.430 175.131 174.700 0.002 0.000 1.056 592 T CA 0.444 62.546 62.100 0.003 0.000 1.137 592 T CB -0.242 68.628 68.868 0.004 0.000 0.976 592 T HN 0.937 nan 8.240 nan 0.000 0.547 593 N N 3.078 121.779 118.700 0.001 0.000 2.292 593 N HA 0.056 4.798 4.740 0.004 0.000 0.242 593 N C -2.441 173.069 175.510 0.000 0.000 1.243 593 N CA -0.610 52.440 53.050 0.001 0.000 0.851 593 N CB -0.109 38.378 38.487 -0.000 0.000 1.093 593 N HN 0.381 nan 8.380 nan 0.000 0.450 594 P HA -0.164 nan 4.420 nan 0.000 0.240 594 P C 0.376 177.676 177.300 -0.000 0.000 1.079 594 P CA 1.052 64.152 63.100 -0.000 0.000 0.839 594 P CB -0.242 31.457 31.700 -0.001 0.000 0.750 595 G N 1.121 109.922 108.800 0.001 0.000 4.137 595 G HA2 0.020 3.982 3.960 0.004 0.000 0.194 595 G HA3 0.020 3.982 3.960 0.004 0.000 0.194 595 G C -0.427 174.474 174.900 0.002 0.000 0.891 595 G CA -0.088 45.012 45.100 0.001 0.000 0.946 595 G HN 0.410 nan 8.290 nan 0.000 0.332 596 S N 1.999 117.701 115.700 0.002 0.000 2.737 596 S HA 0.390 4.862 4.470 0.004 0.000 0.269 596 S C -1.748 172.854 174.600 0.003 0.000 1.150 596 S CA -0.672 57.530 58.200 0.003 0.000 1.077 596 S CB 1.759 64.962 63.200 0.004 0.000 1.075 596 S HN 0.214 nan 8.310 nan 0.000 0.476 597 D N 3.031 123.433 120.400 0.003 0.000 2.767 597 D HA 0.092 4.734 4.640 0.004 0.000 0.231 597 D C 0.206 176.509 176.300 0.005 0.000 1.105 597 D CA 0.178 54.180 54.000 0.003 0.000 1.024 597 D CB 0.134 40.936 40.800 0.003 0.000 1.123 597 D HN 0.310 nan 8.370 nan 0.000 0.470 598 R N 1.066 121.570 120.500 0.005 0.000 2.393 598 R HA 0.362 4.704 4.340 0.004 0.000 0.310 598 R C -2.514 173.790 176.300 0.008 0.000 0.968 598 R CA -1.783 54.321 56.100 0.007 0.000 0.867 598 R CB 1.402 31.707 30.300 0.008 0.000 1.124 598 R HN -0.106 nan 8.270 nan 0.000 0.450 599 P HA 0.035 nan 4.420 nan 0.000 0.270 599 P C -0.791 176.516 177.300 0.011 0.000 1.242 599 P CA -0.222 62.885 63.100 0.011 0.000 0.768 599 P CB 0.408 32.117 31.700 0.016 0.000 0.820 600 L N 3.499 124.726 121.223 0.007 0.000 2.584 600 L HA 0.034 4.376 4.340 0.004 0.000 0.272 600 L C 1.385 178.258 176.870 0.005 0.000 1.195 600 L CA 0.358 55.200 54.840 0.003 0.000 0.920 600 L CB -0.407 41.651 42.059 -0.003 0.000 1.173 600 L HN 0.327 nan 8.230 nan 0.000 0.489 601 R N 3.020 123.525 120.500 0.008 0.000 2.770 601 R HA 0.004 4.346 4.340 0.004 0.000 0.361 601 R C 0.179 176.484 176.300 0.008 0.000 0.860 601 R CA 0.009 56.118 56.100 0.015 0.000 1.071 601 R CB 0.056 30.366 30.300 0.016 0.000 0.907 601 R HN 0.855 nan 8.270 nan 0.000 0.403 602 S N 3.427 119.141 115.700 0.024 0.000 2.614 602 S HA 0.101 4.573 4.470 0.004 0.000 0.265 602 S C 1.645 176.272 174.600 0.045 0.000 1.303 602 S CA -0.970 57.243 58.200 0.022 0.000 1.000 602 S CB 1.003 64.233 63.200 0.050 0.000 0.935 602 S HN 0.622 nan 8.310 nan 0.000 0.551 603 L N 0.656 121.897 121.223 0.031 0.000 2.021 603 L HA -0.184 4.158 4.340 0.004 0.000 0.215 603 L C 2.995 179.964 176.870 0.165 0.000 1.074 603 L CA 1.961 56.834 54.840 0.055 0.000 0.760 603 L CB -1.482 40.582 42.059 0.008 0.000 0.889 603 L HN 0.822 nan 8.230 nan 0.000 0.433 604 T N -0.608 114.101 114.554 0.258 0.000 2.624 604 T HA -0.233 4.119 4.350 0.004 0.000 0.268 604 T C 1.448 176.294 174.700 0.244 0.000 1.041 604 T CA 1.845 64.170 62.100 0.375 0.000 1.159 604 T CB -0.387 68.700 68.868 0.365 0.000 0.863 604 T HN 0.397 nan 8.240 nan 0.000 0.434 605 D N 0.767 121.265 120.400 0.163 0.000 2.104 605 D HA -0.066 4.576 4.640 0.004 0.000 0.194 605 D C 1.945 178.317 176.300 0.120 0.000 0.994 605 D CA 0.694 54.766 54.000 0.119 0.000 0.830 605 D CB -0.585 40.264 40.800 0.080 0.000 0.959 605 D HN 0.282 nan 8.370 nan 0.000 0.452 606 I N 0.191 120.824 120.570 0.105 0.000 2.850 606 I HA -0.168 4.005 4.170 0.004 0.000 0.266 606 I C 1.709 177.896 176.117 0.116 0.000 1.257 606 I CA 0.903 62.252 61.300 0.083 0.000 1.465 606 I CB 0.073 38.099 38.000 0.043 0.000 1.091 606 I HN -0.044 nan 8.210 nan 0.000 0.467 607 L N -1.240 120.105 121.223 0.203 0.000 2.609 607 L HA 0.233 4.575 4.340 0.004 0.000 0.230 607 L C 0.960 178.082 176.870 0.420 0.000 1.087 607 L CA 0.068 55.105 54.840 0.328 0.000 0.874 607 L CB -0.292 42.059 42.059 0.487 0.000 1.114 607 L HN 0.194 nan 8.230 nan 0.000 0.488 608 S N -0.187 115.671 115.700 0.264 0.000 2.593 608 S HA 0.853 5.325 4.470 0.004 0.000 0.297 608 S C 0.036 174.726 174.600 0.150 0.000 1.112 608 S CA -0.033 58.284 58.200 0.194 0.000 1.043 608 S CB 2.116 65.387 63.200 0.120 0.000 1.054 608 S HN 0.339 nan 8.310 nan 0.000 0.516 609 G N 1.580 110.460 108.800 0.132 0.000 2.479 609 G HA2 -0.102 3.860 3.960 0.004 0.000 0.686 609 G HA3 -0.102 3.860 3.960 0.004 0.000 0.686 609 G C 0.062 175.032 174.900 0.117 0.000 1.295 609 G CA -0.147 45.021 45.100 0.114 0.000 0.922 609 G HN 0.844 nan 8.290 nan 0.000 0.582 610 K N -0.191 120.268 120.400 0.098 0.000 2.044 610 K HA -0.158 4.164 4.320 0.004 0.000 0.210 610 K C 1.661 178.305 176.600 0.074 0.000 1.049 610 K CA 2.285 58.622 56.287 0.083 0.000 0.927 610 K CB -0.142 32.399 32.500 0.069 0.000 0.713 610 K HN 0.700 nan 8.250 nan 0.000 0.443 611 Q N -0.376 119.465 119.800 0.069 0.000 2.721 611 Q HA 0.363 4.705 4.340 0.004 0.000 0.257 611 Q C -0.338 175.705 176.000 0.070 0.000 1.070 611 Q CA -0.846 54.993 55.803 0.060 0.000 0.910 611 Q CB 1.615 30.378 28.738 0.043 0.000 1.163 611 Q HN 0.176 nan 8.270 nan 0.000 0.501 612 G N 0.955 109.813 108.800 0.096 0.000 2.887 612 G HA2 0.282 4.244 3.960 0.004 0.000 0.277 612 G HA3 0.282 4.244 3.960 0.004 0.000 0.277 612 G C 0.027 174.985 174.900 0.096 0.000 1.346 612 G CA -0.772 44.400 45.100 0.119 0.000 1.058 612 G HN 0.323 nan 8.290 nan 0.000 0.535 613 R N -1.044 119.505 120.500 0.082 0.000 2.100 613 R HA 0.188 4.530 4.340 0.004 0.000 0.220 613 R C 2.146 178.406 176.300 -0.068 0.000 1.091 613 R CA 1.032 57.108 56.100 -0.040 0.000 0.986 613 R CB -0.825 29.389 30.300 -0.143 0.000 0.888 613 R HN 0.471 nan 8.270 nan 0.000 0.444 614 F N -0.180 119.807 119.950 0.063 0.000 2.269 614 F HA -0.015 4.514 4.527 0.003 0.000 0.301 614 F C 2.309 178.131 175.800 0.036 0.000 1.082 614 F CA 1.300 59.335 58.000 0.058 0.000 1.360 614 F CB -0.093 38.954 39.000 0.079 0.000 1.041 614 F HN 0.002 nan 8.300 nan 0.000 0.512 615 R N 0.053 120.682 120.500 0.214 0.000 2.173 615 R HA -0.094 4.248 4.340 0.004 0.000 0.208 615 R C 2.208 178.548 176.300 0.067 0.000 1.035 615 R CA 0.575 56.750 56.100 0.125 0.000 1.004 615 R CB -0.096 30.271 30.300 0.112 0.000 0.917 615 R HN 0.225 nan 8.270 nan 0.000 0.462 616 Q N 0.468 120.298 119.800 0.050 0.000 2.084 616 Q HA -0.162 4.180 4.340 0.004 0.000 0.202 616 Q C 1.262 177.264 176.000 0.004 0.000 0.978 616 Q CA 2.204 58.017 55.803 0.017 0.000 0.844 616 Q CB -0.299 28.438 28.738 -0.001 0.000 0.898 616 Q HN 0.409 nan 8.270 nan 0.000 0.426 617 N N -0.974 117.726 118.700 -0.000 0.000 2.109 617 N HA -0.067 4.675 4.740 0.004 0.000 0.188 617 N C 1.814 177.322 175.510 -0.003 0.000 1.034 617 N CA 0.829 53.873 53.050 -0.011 0.000 0.846 617 N CB -0.093 38.381 38.487 -0.022 0.000 1.010 617 N HN 0.326 nan 8.380 nan 0.000 0.425 618 L N 1.196 122.429 121.223 0.016 0.000 2.012 618 L HA -0.134 4.208 4.340 0.004 0.000 0.210 618 L C 1.575 178.438 176.870 -0.012 0.000 1.073 618 L CA 1.242 56.082 54.840 -0.000 0.000 0.748 618 L CB -0.125 41.943 42.059 0.016 0.000 0.891 618 L HN 0.274 nan 8.230 nan 0.000 0.431 619 L N -0.403 120.820 121.223 0.001 0.000 2.591 619 L HA 0.227 4.570 4.340 0.004 0.000 0.228 619 L C 1.031 177.902 176.870 0.001 0.000 1.133 619 L CA 0.308 55.148 54.840 -0.000 0.000 0.880 619 L CB -1.572 40.492 42.059 0.008 0.000 1.033 619 L HN 0.407 nan 8.230 nan 0.000 0.450 620 G N 2.263 111.061 108.800 -0.004 0.000 2.256 620 G HA2 -0.256 3.706 3.960 0.004 0.000 0.218 620 G HA3 -0.256 3.706 3.960 0.004 0.000 0.218 620 G C 0.800 175.698 174.900 -0.003 0.000 0.485 620 G CA 0.136 45.231 45.100 -0.008 0.000 1.003 620 G HN 0.264 nan 8.290 nan 0.000 0.360 621 K N 1.182 121.580 120.400 -0.004 0.000 2.211 621 K HA 0.064 4.386 4.320 0.004 0.000 0.201 621 K C 1.363 177.960 176.600 -0.005 0.000 1.052 621 K CA 0.816 57.104 56.287 0.002 0.000 0.973 621 K CB 0.562 33.064 32.500 0.004 0.000 0.766 621 K HN 0.589 nan 8.250 nan 0.000 0.466 622 R N 0.998 121.485 120.500 -0.022 0.000 2.500 622 R HA 0.271 4.613 4.340 0.004 0.000 0.299 622 R C -0.956 175.303 176.300 -0.069 0.000 1.038 622 R CA -0.328 55.751 56.100 -0.036 0.000 0.903 622 R CB 1.880 32.161 30.300 -0.031 0.000 1.177 622 R HN -0.206 nan 8.270 nan 0.000 0.455 623 V N 2.649 122.496 119.914 -0.111 0.000 2.872 623 V HA -0.058 4.065 4.120 0.004 0.000 0.307 623 V C 0.921 176.912 176.094 -0.171 0.000 1.072 623 V CA 0.342 62.531 62.300 -0.186 0.000 1.148 623 V CB 1.093 32.650 31.823 -0.445 0.000 0.954 623 V HN 0.756 nan 8.190 nan 0.000 0.490 624 D N 0.909 121.214 120.400 -0.158 0.000 2.301 624 D HA 0.023 4.665 4.640 0.004 0.000 0.206 624 D C 0.090 176.068 176.300 -0.536 0.000 0.979 624 D CA 0.811 54.628 54.000 -0.305 0.000 0.874 624 D CB 0.152 40.764 40.800 -0.314 0.000 0.968 624 D HN 0.638 nan 8.370 nan 0.000 0.510 625 Y N 0.488 120.694 120.300 -0.157 0.000 2.944 625 Y HA 0.387 4.939 4.550 0.004 0.000 0.335 625 Y C 0.151 175.984 175.900 -0.112 0.000 1.075 625 Y CA -0.752 57.268 58.100 -0.135 0.000 1.240 625 Y CB 0.722 39.066 38.460 -0.192 0.000 1.167 625 Y HN -0.205 nan 8.280 nan 0.000 0.555 626 S N 0.659 116.370 115.700 0.018 0.000 2.661 626 S HA 1.007 5.479 4.470 0.004 0.000 0.285 626 S C -0.387 174.300 174.600 0.145 0.000 1.138 626 S CA -0.464 57.836 58.200 0.168 0.000 0.855 626 S CB 2.440 65.698 63.200 0.097 0.000 1.136 626 S HN 0.710 nan 8.310 nan 0.000 0.484 627 G N 0.160 109.065 108.800 0.176 0.000 2.646 627 G HA2 0.729 4.691 3.960 0.004 0.000 0.291 627 G HA3 0.729 4.691 3.960 0.004 0.000 0.291 627 G C -1.809 173.121 174.900 0.049 0.000 1.445 627 G CA -1.043 44.110 45.100 0.089 0.000 0.814 627 G HN 1.113 nan 8.290 nan 0.000 0.495 628 R N -1.105 119.407 120.500 0.020 0.000 2.536 628 R HA 0.787 5.130 4.340 0.004 0.000 0.269 628 R C -1.094 175.198 176.300 -0.013 0.000 1.113 628 R CA -0.626 55.469 56.100 -0.008 0.000 0.948 628 R CB 1.572 31.868 30.300 -0.006 0.000 1.237 628 R HN 1.114 nan 8.270 nan 0.000 0.441 629 S N 1.569 117.252 115.700 -0.028 0.000 2.688 629 S HA 0.553 5.025 4.470 0.004 0.000 0.275 629 S C -0.835 173.746 174.600 -0.031 0.000 1.175 629 S CA -0.630 57.555 58.200 -0.025 0.000 0.818 629 S CB 1.786 64.971 63.200 -0.026 0.000 1.157 629 S HN 0.452 nan 8.310 nan 0.000 0.482 630 V N 2.853 122.755 119.914 -0.020 0.000 2.686 630 V HA 0.373 4.495 4.120 0.004 0.000 0.295 630 V C 0.489 176.580 176.094 -0.005 0.000 1.055 630 V CA -0.422 61.872 62.300 -0.010 0.000 1.050 630 V CB 0.229 32.053 31.823 0.001 0.000 0.984 630 V HN 0.748 nan 8.190 nan 0.000 0.482 631 I N 2.041 122.627 120.570 0.026 0.000 2.488 631 I HA 0.864 5.036 4.170 0.004 0.000 0.299 631 I C -0.685 175.557 176.117 0.209 0.000 0.984 631 I CA -0.556 60.789 61.300 0.075 0.000 1.250 631 I CB 1.717 39.746 38.000 0.049 0.000 1.389 631 I HN 0.313 nan 8.210 nan 0.000 0.488 632 V N 5.346 125.323 119.914 0.105 0.000 2.932 632 V HA 0.232 4.354 4.120 0.004 0.000 0.307 632 V C -0.073 175.690 176.094 -0.551 0.000 1.147 632 V CA -0.937 61.233 62.300 -0.218 0.000 0.951 632 V CB 1.884 33.578 31.823 -0.215 0.000 1.031 632 V HN 0.701 nan 8.190 nan 0.000 0.426 633 V N 2.988 122.006 119.914 -1.493 0.000 2.694 633 V HA 0.447 4.569 4.120 0.004 0.000 0.306 633 V C 0.989 176.830 176.094 -0.421 0.000 1.054 633 V CA 1.471 63.170 62.300 -1.001 0.000 1.161 633 V CB 1.135 32.310 31.823 -1.079 0.000 0.916 633 V HN 1.185 nan 8.190 nan 0.000 0.490 634 G N 6.851 115.512 108.800 -0.232 0.000 4.943 634 G HA2 0.413 4.375 3.960 0.004 0.000 0.315 634 G HA3 0.413 4.375 3.960 0.004 0.000 0.315 634 G C -1.608 173.201 174.900 -0.152 0.000 1.437 634 G CA -0.568 44.429 45.100 -0.172 0.000 1.027 634 G HN 0.704 nan 8.290 nan 0.000 0.567 635 P HA -0.267 nan 4.420 nan 0.000 0.219 635 P C 1.923 179.189 177.300 -0.056 0.000 1.158 635 P CA 1.356 64.438 63.100 -0.031 0.000 0.895 635 P CB 0.353 32.037 31.700 -0.027 0.000 0.792 636 Q N -1.403 118.353 119.800 -0.074 0.000 2.311 636 Q HA -0.011 4.331 4.340 0.004 0.000 0.203 636 Q C 1.091 177.066 176.000 -0.042 0.000 0.954 636 Q CA 0.203 55.959 55.803 -0.079 0.000 0.885 636 Q CB -0.722 27.966 28.738 -0.083 0.000 0.963 636 Q HN 0.282 nan 8.270 nan 0.000 0.471 637 L N 2.168 123.370 121.223 -0.034 0.000 2.506 637 L HA -0.040 4.302 4.340 0.004 0.000 0.281 637 L C -0.134 176.847 176.870 0.184 0.000 1.228 637 L CA 0.670 55.533 54.840 0.039 0.000 0.850 637 L CB 0.456 42.523 42.059 0.014 0.000 1.110 637 L HN -0.216 nan 8.230 nan 0.000 0.496 638 K N 5.046 125.590 120.400 0.241 0.000 2.156 638 K HA 0.283 4.605 4.320 0.004 0.000 0.250 638 K C 1.143 177.941 176.600 0.331 0.000 0.955 638 K CA -0.621 55.858 56.287 0.320 0.000 0.855 638 K CB 1.386 34.004 32.500 0.197 0.000 1.101 638 K HN 0.729 nan 8.250 nan 0.000 0.434 639 L N 0.105 121.378 121.223 0.085 0.000 2.123 639 L HA -0.325 4.017 4.340 0.004 0.000 0.217 639 L C 2.261 179.266 176.870 0.225 0.000 1.081 639 L CA 1.789 56.611 54.840 -0.030 0.000 0.772 639 L CB -1.067 40.882 42.059 -0.184 0.000 0.890 639 L HN 0.721 nan 8.230 nan 0.000 0.437 640 H N 0.591 119.719 119.070 0.098 0.000 2.387 640 H HA -0.073 4.486 4.556 0.003 0.000 0.299 640 H C 1.036 176.473 175.328 0.182 0.000 1.099 640 H CA 1.488 57.579 56.048 0.070 0.000 1.315 640 H CB 0.078 29.866 29.762 0.043 0.000 1.380 640 H HN 0.597 nan 8.280 nan 0.000 0.513 641 Q N -0.992 118.840 119.800 0.054 0.000 2.486 641 Q HA 0.544 4.886 4.340 0.004 0.000 0.274 641 Q C -0.906 175.146 176.000 0.086 0.000 1.076 641 Q CA -0.753 55.045 55.803 -0.009 0.000 0.872 641 Q CB 2.398 31.115 28.738 -0.035 0.000 1.383 641 Q HN 0.386 nan 8.270 nan 0.000 0.478 642 C N -2.403 116.869 119.300 -0.048 0.000 3.170 642 C HA 0.887 5.349 4.460 0.004 0.000 0.319 642 C C 0.194 175.100 174.990 -0.141 0.000 1.260 642 C CA -0.881 58.024 59.018 -0.188 0.000 1.374 642 C CB 0.796 28.282 27.740 -0.425 0.000 1.739 642 C HN 0.958 nan 8.230 nan 0.000 0.479 643 G N 1.627 110.340 108.800 -0.147 0.000 2.356 643 G HA2 0.523 4.485 3.960 0.004 0.000 0.300 643 G HA3 0.523 4.485 3.960 0.004 0.000 0.300 643 G C -0.949 173.870 174.900 -0.135 0.000 1.107 643 G CA -0.079 44.944 45.100 -0.128 0.000 0.960 643 G HN 1.287 nan 8.290 nan 0.000 0.418 644 L N 4.934 126.073 121.223 -0.139 0.000 2.333 644 L HA 0.631 4.974 4.340 0.004 0.000 0.280 644 L C -2.541 174.237 176.870 -0.153 0.000 1.004 644 L CA -2.755 52.003 54.840 -0.137 0.000 0.820 644 L CB 2.115 44.088 42.059 -0.144 0.000 1.247 644 L HN 0.136 nan 8.230 nan 0.000 0.416 645 P HA 0.103 nan 4.420 nan 0.000 0.263 645 P C -0.178 177.014 177.300 -0.179 0.000 1.195 645 P CA 0.133 63.157 63.100 -0.127 0.000 0.762 645 P CB 0.430 32.084 31.700 -0.076 0.000 0.799 646 K N 3.508 123.748 120.400 -0.267 0.000 2.063 646 K HA -0.206 4.116 4.320 0.004 0.000 0.208 646 K C 1.694 178.107 176.600 -0.312 0.000 1.048 646 K CA 1.571 57.588 56.287 -0.451 0.000 0.928 646 K CB -0.299 31.695 32.500 -0.844 0.000 0.713 646 K HN 0.316 nan 8.250 nan 0.000 0.442 647 R N 0.796 121.221 120.500 -0.124 0.000 2.117 647 R HA -0.053 4.289 4.340 0.004 0.000 0.243 647 R C 2.238 178.554 176.300 0.028 0.000 1.143 647 R CA 1.477 57.606 56.100 0.049 0.000 0.968 647 R CB -0.422 29.932 30.300 0.091 0.000 0.863 647 R HN 0.221 nan 8.270 nan 0.000 0.444 648 M N -0.430 119.159 119.600 -0.019 0.000 2.236 648 M HA 0.057 4.539 4.480 0.004 0.000 0.266 648 M C 2.247 178.559 176.300 0.021 0.000 1.070 648 M CA 1.349 56.654 55.300 0.008 0.000 1.137 648 M CB -0.119 32.478 32.600 -0.006 0.000 1.378 648 M HN 0.323 nan 8.290 nan 0.000 0.426 649 A N 0.308 123.087 122.820 -0.069 0.000 1.978 649 A HA -0.189 4.133 4.320 0.004 0.000 0.220 649 A C 2.014 179.611 177.584 0.022 0.000 1.170 649 A CA 1.327 53.289 52.037 -0.125 0.000 0.636 649 A CB -0.775 18.011 19.000 -0.356 0.000 0.810 649 A HN 0.460 nan 8.150 nan 0.000 0.448 650 L N -0.511 120.731 121.223 0.031 0.000 2.017 650 L HA -0.136 4.207 4.340 0.004 0.000 0.208 650 L C 2.305 179.283 176.870 0.181 0.000 1.073 650 L CA 2.211 57.134 54.840 0.137 0.000 0.745 650 L CB -0.412 41.764 42.059 0.195 0.000 0.894 650 L HN 0.318 nan 8.230 nan 0.000 0.432 651 E N -0.592 119.698 120.200 0.150 0.000 2.047 651 E HA -0.156 4.196 4.350 0.004 0.000 0.191 651 E C 2.232 178.942 176.600 0.183 0.000 0.987 651 E CA 1.105 57.588 56.400 0.138 0.000 0.799 651 E CB -0.379 29.375 29.700 0.089 0.000 0.752 651 E HN 0.312 nan 8.360 nan 0.000 0.449 652 L N -0.025 121.342 121.223 0.241 0.000 1.970 652 L HA -0.166 4.176 4.340 0.004 0.000 0.212 652 L C 1.765 178.839 176.870 0.340 0.000 1.071 652 L CA 1.511 56.545 54.840 0.323 0.000 0.751 652 L CB -0.704 41.617 42.059 0.437 0.000 0.889 652 L HN 0.080 nan 8.230 nan 0.000 0.432 653 F N -0.106 119.893 119.950 0.083 0.000 2.701 653 F HA 0.116 4.645 4.527 0.004 0.000 0.295 653 F C 1.829 177.715 175.800 0.143 0.000 1.165 653 F CA -0.297 57.744 58.000 0.068 0.000 1.399 653 F CB -1.073 37.967 39.000 0.067 0.000 0.996 653 F HN 0.111 nan 8.300 nan 0.000 0.513 654 K N 1.509 122.083 120.400 0.290 0.000 1.978 654 K HA -0.165 4.157 4.320 0.004 0.000 0.214 654 K C -0.838 175.902 176.600 0.233 0.000 1.049 654 K CA 1.806 58.234 56.287 0.236 0.000 0.939 654 K CB -1.117 31.493 32.500 0.184 0.000 0.721 654 K HN 0.105 nan 8.250 nan 0.000 0.441 655 P HA -0.146 nan 4.420 nan 0.000 0.215 655 P C 1.103 178.584 177.300 0.302 0.000 1.157 655 P CA 1.227 64.466 63.100 0.232 0.000 0.874 655 P CB -0.097 31.738 31.700 0.224 0.000 0.790 656 F N -0.961 119.017 119.950 0.047 0.000 2.250 656 F HA -0.121 4.408 4.527 0.003 0.000 0.301 656 F C 2.104 177.966 175.800 0.103 0.000 1.077 656 F CA 0.844 58.877 58.000 0.055 0.000 1.348 656 F CB -1.306 37.722 39.000 0.048 0.000 1.040 656 F HN -0.139 nan 8.300 nan 0.000 0.509 657 L N -0.484 120.926 121.223 0.312 0.000 2.102 657 L HA -0.056 4.286 4.340 0.004 0.000 0.202 657 L C 2.071 179.029 176.870 0.148 0.000 1.076 657 L CA 1.456 56.426 54.840 0.218 0.000 0.761 657 L CB -0.839 41.354 42.059 0.224 0.000 0.921 657 L HN 0.043 nan 8.230 nan 0.000 0.444 658 L N 0.031 121.341 121.223 0.145 0.000 1.997 658 L HA -0.301 4.041 4.340 0.004 0.000 0.216 658 L C 2.679 179.593 176.870 0.073 0.000 1.074 658 L CA 2.060 56.962 54.840 0.103 0.000 0.763 658 L CB -0.955 41.166 42.059 0.104 0.000 0.890 658 L HN 0.322 nan 8.230 nan 0.000 0.434 659 K N 1.045 121.483 120.400 0.062 0.000 2.026 659 K HA -0.234 4.088 4.320 0.004 0.000 0.208 659 K C 2.065 178.673 176.600 0.014 0.000 1.048 659 K CA 1.742 58.041 56.287 0.021 0.000 0.929 659 K CB -0.236 32.253 32.500 -0.017 0.000 0.713 659 K HN -0.031 nan 8.250 nan 0.000 0.439 660 K N -0.230 120.183 120.400 0.023 0.000 2.152 660 K HA -0.054 4.268 4.320 0.004 0.000 0.206 660 K C 2.007 178.629 176.600 0.037 0.000 1.048 660 K CA 1.545 57.846 56.287 0.024 0.000 0.933 660 K CB -0.066 32.465 32.500 0.052 0.000 0.721 660 K HN 0.184 nan 8.250 nan 0.000 0.447 661 M N 0.017 119.648 119.600 0.051 0.000 2.117 661 M HA -0.177 4.305 4.480 0.004 0.000 0.262 661 M C 2.161 178.479 176.300 0.031 0.000 1.065 661 M CA 1.720 57.048 55.300 0.048 0.000 1.114 661 M CB -0.508 32.126 32.600 0.056 0.000 1.361 661 M HN 0.319 nan 8.290 nan 0.000 0.408 662 E N 0.608 120.823 120.200 0.025 0.000 2.150 662 E HA -0.176 4.176 4.350 0.004 0.000 0.193 662 E C 1.596 178.201 176.600 0.009 0.000 0.985 662 E CA 0.974 57.384 56.400 0.016 0.000 0.814 662 E CB 0.135 29.843 29.700 0.014 0.000 0.752 662 E HN 0.508 nan 8.360 nan 0.000 0.466 663 E N 0.368 120.572 120.200 0.006 0.000 2.265 663 E HA -0.098 4.254 4.350 0.004 0.000 0.196 663 E C 0.495 177.097 176.600 0.003 0.000 0.996 663 E CA 0.662 57.061 56.400 -0.001 0.000 0.832 663 E CB 0.126 29.821 29.700 -0.009 0.000 0.756 663 E HN 0.159 nan 8.360 nan 0.000 0.491 664 K N -0.857 119.549 120.400 0.010 0.000 2.303 664 K HA 0.332 4.654 4.320 0.004 0.000 0.233 664 K C 0.972 177.580 176.600 0.012 0.000 1.046 664 K CA -0.239 56.055 56.287 0.012 0.000 0.895 664 K CB 1.361 33.872 32.500 0.019 0.000 1.220 664 K HN -0.035 nan 8.250 nan 0.000 0.470 665 G N 0.364 109.171 108.800 0.011 0.000 2.813 665 G HA2 -0.052 3.911 3.960 0.004 0.000 0.209 665 G HA3 -0.052 3.911 3.960 0.004 0.000 0.209 665 G C 1.163 176.069 174.900 0.010 0.000 1.150 665 G CA 0.274 45.380 45.100 0.009 0.000 0.785 665 G HN 0.481 nan 8.290 nan 0.000 0.535 666 I N 0.802 121.380 120.570 0.014 0.000 2.315 666 I HA 0.052 4.224 4.170 0.004 0.000 0.251 666 I C 1.425 177.550 176.117 0.014 0.000 1.125 666 I CA 1.126 62.434 61.300 0.014 0.000 1.392 666 I CB -0.280 37.734 38.000 0.024 0.000 1.065 666 I HN 0.184 nan 8.210 nan 0.000 0.424 667 A N -0.595 122.235 122.820 0.017 0.000 2.520 667 A HA 0.619 4.941 4.320 0.004 0.000 0.298 667 A C -2.240 175.353 177.584 0.015 0.000 1.051 667 A CA -1.047 51.000 52.037 0.017 0.000 0.690 667 A CB 0.991 20.005 19.000 0.024 0.000 1.281 667 A HN -0.179 nan 8.150 nan 0.000 0.402 668 P HA -0.003 nan 4.420 nan 0.000 0.215 668 P C -0.020 177.288 177.300 0.013 0.000 1.157 668 P CA 1.292 64.399 63.100 0.011 0.000 0.859 668 P CB 0.213 31.918 31.700 0.009 0.000 0.786 669 N N -3.035 115.675 118.700 0.016 0.000 2.902 669 N HA 0.136 4.878 4.740 0.004 0.000 0.268 669 N C 0.795 176.319 175.510 0.024 0.000 1.450 669 N CA -0.633 52.428 53.050 0.018 0.000 0.819 669 N CB 0.863 39.359 38.487 0.016 0.000 1.540 669 N HN -0.354 nan 8.380 nan 0.000 0.545 670 V N 1.428 121.358 119.914 0.027 0.000 2.214 670 V HA -0.326 3.796 4.120 0.004 0.000 0.247 670 V C 2.242 178.357 176.094 0.034 0.000 1.051 670 V CA 2.269 64.590 62.300 0.035 0.000 1.003 670 V CB -1.038 30.806 31.823 0.035 0.000 0.635 670 V HN 0.671 nan 8.190 nan 0.000 0.447 671 K N 1.163 121.581 120.400 0.029 0.000 2.160 671 K HA -0.204 4.119 4.320 0.004 0.000 0.206 671 K C 2.260 178.874 176.600 0.024 0.000 1.047 671 K CA 1.719 58.022 56.287 0.026 0.000 0.930 671 K CB -0.620 31.892 32.500 0.021 0.000 0.720 671 K HN 0.507 nan 8.250 nan 0.000 0.450 672 A N 1.988 124.821 122.820 0.022 0.000 1.873 672 A HA -0.030 4.292 4.320 0.004 0.000 0.215 672 A C 2.525 180.123 177.584 0.023 0.000 1.186 672 A CA 1.634 53.683 52.037 0.019 0.000 0.616 672 A CB -0.746 18.263 19.000 0.016 0.000 0.823 672 A HN 0.340 nan 8.150 nan 0.000 0.442 673 A N -0.313 122.525 122.820 0.030 0.000 1.972 673 A HA -0.169 4.153 4.320 0.004 0.000 0.219 673 A C 2.247 179.857 177.584 0.044 0.000 1.169 673 A CA 1.554 53.615 52.037 0.039 0.000 0.635 673 A CB -0.442 18.587 19.000 0.048 0.000 0.810 673 A HN 0.566 nan 8.150 nan 0.000 0.446 674 R N -0.726 119.800 120.500 0.042 0.000 2.062 674 R HA -0.057 4.285 4.340 0.004 0.000 0.231 674 R C 2.453 178.773 176.300 0.033 0.000 1.136 674 R CA 1.458 57.584 56.100 0.044 0.000 0.948 674 R CB -0.343 29.981 30.300 0.040 0.000 0.845 674 R HN 0.478 nan 8.270 nan 0.000 0.430 675 R N 0.122 120.637 120.500 0.025 0.000 2.105 675 R HA -0.069 4.273 4.340 0.004 0.000 0.239 675 R C 2.232 178.540 176.300 0.014 0.000 1.135 675 R CA 1.003 57.114 56.100 0.017 0.000 0.967 675 R CB -0.252 30.056 30.300 0.013 0.000 0.861 675 R HN 0.183 nan 8.270 nan 0.000 0.442 676 M N 0.479 120.088 119.600 0.015 0.000 2.267 676 M HA -0.118 4.365 4.480 0.004 0.000 0.263 676 M C 1.509 177.813 176.300 0.006 0.000 1.063 676 M CA 1.586 56.891 55.300 0.008 0.000 1.090 676 M CB -0.188 32.419 32.600 0.012 0.000 1.392 676 M HN 0.151 nan 8.290 nan 0.000 0.422 677 L N -1.158 120.078 121.223 0.021 0.000 2.858 677 L HA 0.045 4.387 4.340 0.004 0.000 0.251 677 L C 1.731 178.618 176.870 0.028 0.000 1.149 677 L CA -0.131 54.725 54.840 0.028 0.000 0.955 677 L CB -0.068 42.027 42.059 0.059 0.000 1.289 677 L HN 0.250 nan 8.230 nan 0.000 0.542 678 E N 0.808 121.021 120.200 0.022 0.000 2.338 678 E HA -0.068 4.284 4.350 0.004 0.000 0.197 678 E C 0.348 176.955 176.600 0.013 0.000 1.007 678 E CA 0.490 56.902 56.400 0.020 0.000 0.849 678 E CB 0.053 29.762 29.700 0.016 0.000 0.774 678 E HN 0.452 nan 8.360 nan 0.000 0.506 679 R N 0.458 120.961 120.500 0.005 0.000 2.670 679 R HA 0.224 4.566 4.340 0.004 0.000 0.289 679 R C 0.271 176.564 176.300 -0.011 0.000 0.965 679 R CA -0.599 55.500 56.100 -0.002 0.000 0.899 679 R CB 1.293 31.589 30.300 -0.008 0.000 1.173 679 R HN -0.116 nan 8.270 nan 0.000 0.456 680 Q N 1.038 120.831 119.800 -0.011 0.000 2.167 680 Q HA -0.035 4.307 4.340 0.004 0.000 0.202 680 Q C 1.608 177.576 176.000 -0.054 0.000 0.970 680 Q CA 1.498 57.287 55.803 -0.023 0.000 0.855 680 Q CB 0.077 28.811 28.738 -0.007 0.000 0.911 680 Q HN 0.348 nan 8.270 nan 0.000 0.438 681 R N 0.284 120.757 120.500 -0.044 0.000 2.319 681 R HA -0.047 4.295 4.340 0.004 0.000 0.204 681 R C -0.243 176.019 176.300 -0.063 0.000 0.954 681 R CA 0.630 56.698 56.100 -0.055 0.000 1.066 681 R CB 0.292 30.569 30.300 -0.038 0.000 0.991 681 R HN 0.219 nan 8.270 nan 0.000 0.486 682 D N -0.359 120.004 120.400 -0.063 0.000 2.398 682 D HA 0.054 4.696 4.640 0.004 0.000 0.210 682 D C -0.146 176.104 176.300 -0.084 0.000 1.094 682 D CA 0.015 53.980 54.000 -0.059 0.000 0.839 682 D CB 0.403 41.181 40.800 -0.037 0.000 0.963 682 D HN 0.095 nan 8.370 nan 0.000 0.506 683 I N 2.292 122.784 120.570 -0.130 0.000 2.436 683 I HA 0.013 4.185 4.170 0.004 0.000 0.289 683 I C 0.679 176.662 176.117 -0.223 0.000 1.083 683 I CA -0.282 60.903 61.300 -0.190 0.000 1.372 683 I CB 0.412 38.218 38.000 -0.323 0.000 1.408 683 I HN -0.298 nan 8.210 nan 0.000 0.516 684 K N 5.439 125.743 120.400 -0.160 0.000 2.237 684 K HA 0.157 4.479 4.320 0.004 0.000 0.270 684 K C 0.361 176.847 176.600 -0.190 0.000 1.015 684 K CA -0.679 55.524 56.287 -0.140 0.000 0.949 684 K CB 0.870 33.325 32.500 -0.074 0.000 0.976 684 K HN 0.445 nan 8.250 nan 0.000 0.472 685 D N 2.537 122.832 120.400 -0.174 0.000 2.271 685 D HA -0.175 4.467 4.640 0.004 0.000 0.207 685 D C 1.103 177.380 176.300 -0.039 0.000 0.983 685 D CA 1.287 55.185 54.000 -0.169 0.000 0.878 685 D CB 0.276 41.027 40.800 -0.082 0.000 0.920 685 D HN 0.581 nan 8.370 nan 0.000 0.479 686 E N 0.431 120.618 120.200 -0.022 0.000 2.118 686 E HA -0.126 4.227 4.350 0.004 0.000 0.195 686 E C 2.368 179.015 176.600 0.079 0.000 0.992 686 E CA 0.617 57.036 56.400 0.030 0.000 0.804 686 E CB -0.056 29.650 29.700 0.011 0.000 0.741 686 E HN 0.188 nan 8.360 nan 0.000 0.458 687 V N 0.954 120.905 119.914 0.061 0.000 2.287 687 V HA -0.250 3.873 4.120 0.004 0.000 0.248 687 V C 2.068 178.374 176.094 0.352 0.000 1.053 687 V CA 1.831 64.222 62.300 0.152 0.000 1.027 687 V CB -0.815 31.063 31.823 0.092 0.000 0.646 687 V HN 0.424 nan 8.190 nan 0.000 0.447 688 W N 0.468 121.776 121.300 0.012 0.000 2.318 688 W HA -0.227 4.435 4.660 0.003 0.000 0.313 688 W C 2.412 178.936 176.519 0.008 0.000 1.221 688 W CA 0.862 58.211 57.345 0.007 0.000 1.266 688 W CB -0.268 29.192 29.460 0.001 0.000 1.150 688 W HN 0.358 nan 8.180 nan 0.000 0.496 689 D N 0.005 120.569 120.400 0.274 0.000 2.149 689 D HA -0.171 4.471 4.640 0.004 0.000 0.198 689 D C 2.082 178.449 176.300 0.112 0.000 0.990 689 D CA 1.707 55.795 54.000 0.147 0.000 0.839 689 D CB -0.923 39.941 40.800 0.107 0.000 0.948 689 D HN 0.115 nan 8.370 nan 0.000 0.460 690 A N 0.885 123.783 122.820 0.131 0.000 1.855 690 A HA -0.118 4.204 4.320 0.004 0.000 0.215 690 A C 2.161 179.811 177.584 0.111 0.000 1.191 690 A CA 1.050 53.153 52.037 0.109 0.000 0.613 690 A CB -0.840 18.229 19.000 0.115 0.000 0.829 690 A HN 0.228 nan 8.150 nan 0.000 0.442 691 L N 0.472 121.772 121.223 0.128 0.000 2.012 691 L HA -0.193 4.149 4.340 0.004 0.000 0.210 691 L C 2.377 179.249 176.870 0.003 0.000 1.073 691 L CA 2.960 57.845 54.840 0.074 0.000 0.748 691 L CB -0.778 41.296 42.059 0.024 0.000 0.891 691 L HN 0.592 nan 8.230 nan 0.000 0.431 692 E N 0.013 120.205 120.200 -0.014 0.000 2.160 692 E HA -0.307 4.045 4.350 0.004 0.000 0.195 692 E C 2.040 178.661 176.600 0.034 0.000 0.991 692 E CA 1.995 58.377 56.400 -0.030 0.000 0.810 692 E CB -0.522 29.168 29.700 -0.018 0.000 0.742 692 E HN 0.726 nan 8.360 nan 0.000 0.466 693 E N -0.268 119.968 120.200 0.060 0.000 2.158 693 E HA -0.074 4.278 4.350 0.004 0.000 0.191 693 E C 1.860 178.528 176.600 0.113 0.000 0.982 693 E CA 1.000 57.444 56.400 0.073 0.000 0.823 693 E CB 0.163 29.892 29.700 0.048 0.000 0.766 693 E HN 0.252 nan 8.360 nan 0.000 0.468 694 V N 1.456 121.448 119.914 0.130 0.000 2.453 694 V HA -0.169 3.953 4.120 0.004 0.000 0.247 694 V C 2.334 178.601 176.094 0.288 0.000 1.048 694 V CA 1.381 63.805 62.300 0.207 0.000 1.049 694 V CB -0.231 31.760 31.823 0.279 0.000 0.672 694 V HN 0.378 nan 8.190 nan 0.000 0.457 695 I N -0.584 120.093 120.570 0.178 0.000 3.684 695 I HA -0.050 4.122 4.170 0.004 0.000 0.304 695 I C 2.142 178.329 176.117 0.117 0.000 1.278 695 I CA 0.376 61.748 61.300 0.120 0.000 1.272 695 I CB -0.276 37.595 38.000 -0.215 0.000 1.029 695 I HN 0.458 nan 8.210 nan 0.000 0.458 696 H N 1.602 120.712 119.070 0.067 0.000 2.275 696 H HA -0.289 4.269 4.556 0.003 0.000 0.279 696 H C 1.627 176.995 175.328 0.067 0.000 1.121 696 H CA 2.426 58.506 56.048 0.053 0.000 1.175 696 H CB -0.571 29.223 29.762 0.054 0.000 1.390 696 H HN 0.325 nan 8.280 nan 0.000 0.521 697 G N 0.024 108.721 108.800 -0.171 0.000 3.695 697 G HA2 0.166 4.128 3.960 0.004 0.000 0.277 697 G HA3 0.166 4.128 3.960 0.004 0.000 0.277 697 G C -0.304 174.599 174.900 0.005 0.000 1.001 697 G CA -0.488 44.489 45.100 -0.206 0.000 0.837 697 G HN 0.148 nan 8.290 nan 0.000 0.492 698 K N 0.889 121.349 120.400 0.100 0.000 2.126 698 K HA 0.525 4.847 4.320 0.004 0.000 0.257 698 K C 0.151 176.825 176.600 0.124 0.000 1.007 698 K CA -0.220 56.161 56.287 0.158 0.000 0.928 698 K CB 2.141 34.826 32.500 0.307 0.000 1.013 698 K HN 0.129 nan 8.250 nan 0.000 0.473 699 V N -1.742 118.238 119.914 0.111 0.000 3.074 699 V HA 0.715 4.837 4.120 0.004 0.000 0.314 699 V C -0.073 176.102 176.094 0.135 0.000 1.117 699 V CA -1.144 61.209 62.300 0.088 0.000 1.014 699 V CB 1.620 33.456 31.823 0.021 0.000 1.057 699 V HN 0.547 nan 8.190 nan 0.000 0.438 700 V N 0.150 120.153 119.914 0.148 0.000 3.046 700 V HA 0.859 4.981 4.120 0.004 0.000 0.316 700 V C -0.825 175.368 176.094 0.166 0.000 1.104 700 V CA -0.956 61.446 62.300 0.170 0.000 1.006 700 V CB 1.686 33.633 31.823 0.206 0.000 1.058 700 V HN 0.850 nan 8.190 nan 0.000 0.440 701 L N 2.508 123.821 121.223 0.149 0.000 2.325 701 L HA 0.728 5.070 4.340 0.004 0.000 0.278 701 L C -0.505 176.427 176.870 0.104 0.000 1.023 701 L CA -0.494 54.434 54.840 0.147 0.000 0.811 701 L CB 1.205 43.331 42.059 0.112 0.000 1.249 701 L HN 0.506 nan 8.230 nan 0.000 0.431 702 L N 2.835 124.163 121.223 0.175 0.000 2.329 702 L HA 0.557 4.899 4.340 0.004 0.000 0.279 702 L C -0.170 176.730 176.870 0.050 0.000 1.014 702 L CA 0.025 54.887 54.840 0.037 0.000 0.814 702 L CB 1.558 43.607 42.059 -0.016 0.000 1.257 702 L HN 0.778 nan 8.230 nan 0.000 0.424 703 N N 1.809 120.439 118.700 -0.117 0.000 2.240 703 N HA 0.600 5.342 4.740 0.004 0.000 0.302 703 N C -1.099 174.327 175.510 -0.139 0.000 1.106 703 N CA -0.698 52.330 53.050 -0.036 0.000 0.778 703 N CB 2.256 40.693 38.487 -0.083 0.000 1.431 703 N HN 0.535 nan 8.380 nan 0.000 0.479 704 R N 1.832 122.334 120.500 0.002 0.000 2.828 704 R HA 0.685 5.027 4.340 0.004 0.000 0.264 704 R C 0.593 176.903 176.300 0.018 0.000 1.022 704 R CA 0.130 56.215 56.100 -0.024 0.000 1.021 704 R CB 0.851 31.241 30.300 0.149 0.000 1.163 704 R HN 0.644 nan 8.270 nan 0.000 0.494 705 A N 2.236 125.056 122.820 -0.000 0.000 1.908 705 A HA 0.045 4.367 4.320 0.004 0.000 0.211 705 A C -1.273 176.323 177.584 0.020 0.000 1.225 705 A CA 1.203 53.243 52.037 0.006 0.000 0.689 705 A CB -1.798 17.204 19.000 0.002 0.000 0.843 705 A HN 0.699 nan 8.150 nan 0.000 0.472 706 P HA 0.311 nan 4.420 nan 0.000 0.287 706 P C -1.090 176.219 177.300 0.015 0.000 1.307 706 P CA 0.006 63.112 63.100 0.010 0.000 0.777 706 P CB 1.029 32.726 31.700 -0.005 0.000 0.883 707 T N 4.009 118.579 114.554 0.026 0.000 2.978 707 T HA 0.120 4.472 4.350 0.004 0.000 0.278 707 T C 1.386 176.078 174.700 -0.014 0.000 0.945 707 T CA -0.004 62.123 62.100 0.045 0.000 1.070 707 T CB -0.305 68.599 68.868 0.061 0.000 0.948 707 T HN 0.236 nan 8.240 nan 0.000 0.617 708 L N 1.807 122.969 121.223 -0.101 0.000 2.102 708 L HA 0.136 4.478 4.340 0.004 0.000 0.202 708 L C 1.648 178.433 176.870 -0.141 0.000 1.076 708 L CA 0.812 55.535 54.840 -0.195 0.000 0.761 708 L CB -0.155 41.691 42.059 -0.354 0.000 0.921 708 L HN 0.765 nan 8.230 nan 0.000 0.444 709 H N -3.249 115.797 119.070 -0.041 0.000 2.896 709 H HA 0.315 4.873 4.556 0.003 0.000 0.318 709 H C 0.608 175.900 175.328 -0.060 0.000 1.409 709 H CA -0.994 55.017 56.048 -0.061 0.000 1.328 709 H CB 1.395 31.110 29.762 -0.079 0.000 1.940 709 H HN -0.197 nan 8.280 nan 0.000 0.665 710 R N 0.069 120.621 120.500 0.087 0.000 2.105 710 R HA -0.037 4.306 4.340 0.004 0.000 0.239 710 R C 1.266 177.515 176.300 -0.085 0.000 1.135 710 R CA 1.192 57.286 56.100 -0.010 0.000 0.967 710 R CB -0.258 30.018 30.300 -0.041 0.000 0.861 710 R HN 0.672 nan 8.270 nan 0.000 0.442 711 L N 0.669 121.739 121.223 -0.256 0.000 2.675 711 L HA 0.072 4.414 4.340 0.004 0.000 0.239 711 L C 1.876 178.548 176.870 -0.331 0.000 1.151 711 L CA 0.415 55.023 54.840 -0.386 0.000 0.905 711 L CB -0.232 41.468 42.059 -0.599 0.000 1.057 711 L HN 0.467 nan 8.230 nan 0.000 0.435 712 G N 0.274 109.089 108.800 0.025 0.000 2.509 712 G HA2 -0.023 3.939 3.960 0.004 0.000 0.218 712 G HA3 -0.023 3.939 3.960 0.004 0.000 0.218 712 G C 0.731 175.786 174.900 0.259 0.000 1.124 712 G CA 0.298 45.504 45.100 0.177 0.000 0.776 712 G HN 0.296 nan 8.290 nan 0.000 0.547 713 I N -0.293 120.358 120.570 0.137 0.000 2.607 713 I HA 0.328 4.500 4.170 0.004 0.000 0.290 713 I C -1.155 175.032 176.117 0.116 0.000 1.129 713 I CA -0.636 60.812 61.300 0.248 0.000 1.042 713 I CB 2.344 40.431 38.000 0.145 0.000 1.242 713 I HN -0.028 nan 8.210 nan 0.000 0.421 714 Q N 3.917 123.883 119.800 0.276 0.000 2.456 714 Q HA 0.729 5.071 4.340 0.004 0.000 0.283 714 Q C -1.143 174.892 176.000 0.057 0.000 1.084 714 Q CA -0.939 54.895 55.803 0.052 0.000 0.801 714 Q CB 3.101 31.826 28.738 -0.021 0.000 1.434 714 Q HN 0.705 nan 8.270 nan 0.000 0.419 715 A N 1.571 124.239 122.820 -0.253 0.000 2.305 715 A HA 0.835 5.157 4.320 0.004 0.000 0.322 715 A C -1.219 176.118 177.584 -0.411 0.000 1.187 715 A CA -0.182 51.763 52.037 -0.154 0.000 0.825 715 A CB 0.347 19.267 19.000 -0.133 0.000 1.164 715 A HN 0.505 nan 8.150 nan 0.000 0.498 716 F N -0.648 119.268 119.950 -0.057 0.000 2.650 716 F HA 0.531 5.060 4.527 0.004 0.000 0.320 716 F C 0.101 175.800 175.800 -0.169 0.000 1.091 716 F CA -0.701 57.223 58.000 -0.126 0.000 0.962 716 F CB 1.984 40.935 39.000 -0.081 0.000 1.363 716 F HN 0.505 nan 8.300 nan 0.000 0.482 717 Q N 2.814 122.554 119.800 -0.101 0.000 2.337 717 Q HA 0.401 4.743 4.340 0.004 0.000 0.255 717 Q C -2.686 173.260 176.000 -0.089 0.000 0.997 717 Q CA -2.081 53.620 55.803 -0.170 0.000 0.925 717 Q CB 1.147 29.636 28.738 -0.414 0.000 1.212 717 Q HN 0.059 nan 8.270 nan 0.000 0.436 718 P HA 0.018 nan 4.420 nan 0.000 0.271 718 P C -1.153 176.074 177.300 -0.123 0.000 1.220 718 P CA -0.071 62.966 63.100 -0.104 0.000 0.768 718 P CB 0.849 32.459 31.700 -0.150 0.000 0.848 719 V N 5.780 125.624 119.914 -0.118 0.000 2.257 719 V HA 0.114 4.236 4.120 0.004 0.000 0.269 719 V C 0.235 176.243 176.094 -0.143 0.000 1.040 719 V CA -0.753 61.482 62.300 -0.109 0.000 0.813 719 V CB 0.406 32.184 31.823 -0.074 0.000 1.065 719 V HN 0.418 nan 8.190 nan 0.000 0.457 720 L N 5.800 126.912 121.223 -0.186 0.000 2.678 720 L HA 0.074 4.416 4.340 0.004 0.000 0.285 720 L C 0.265 177.016 176.870 -0.199 0.000 1.233 720 L CA 1.168 55.865 54.840 -0.239 0.000 0.920 720 L CB 0.347 42.212 42.059 -0.325 0.000 1.176 720 L HN 0.609 nan 8.230 nan 0.000 0.495 721 V N 0.150 119.951 119.914 -0.189 0.000 3.130 721 V HA 0.640 4.762 4.120 0.004 0.000 0.310 721 V C -0.287 175.731 176.094 -0.126 0.000 1.158 721 V CA -1.180 61.036 62.300 -0.139 0.000 1.029 721 V CB 1.978 33.734 31.823 -0.112 0.000 1.057 721 V HN 0.605 nan 8.190 nan 0.000 0.436 722 E N 1.166 121.320 120.200 -0.076 0.000 2.343 722 E HA 0.604 4.957 4.350 0.004 0.000 0.269 722 E C 0.460 177.041 176.600 -0.032 0.000 1.047 722 E CA 0.758 57.139 56.400 -0.031 0.000 0.874 722 E CB 1.316 31.017 29.700 0.001 0.000 1.033 722 E HN 1.581 nan 8.360 nan 0.000 0.409 723 G N 1.541 110.335 108.800 -0.010 0.000 2.549 723 G HA2 -0.249 3.714 3.960 0.004 0.000 0.404 723 G HA3 -0.249 3.714 3.960 0.004 0.000 0.404 723 G C 0.424 175.313 174.900 -0.019 0.000 1.292 723 G CA 0.137 45.228 45.100 -0.014 0.000 0.935 723 G HN 0.579 nan 8.290 nan 0.000 0.512 724 Q N -0.759 119.029 119.800 -0.020 0.000 2.226 724 Q HA 0.308 4.651 4.340 0.004 0.000 0.199 724 Q C 1.825 177.806 176.000 -0.031 0.000 0.945 724 Q CA 1.270 57.062 55.803 -0.019 0.000 0.861 724 Q CB -0.141 28.591 28.738 -0.011 0.000 0.953 724 Q HN 1.576 nan 8.270 nan 0.000 0.490 725 S N 0.513 116.190 115.700 -0.039 0.000 2.584 725 S HA 0.342 4.814 4.470 0.004 0.000 0.270 725 S C 0.045 174.607 174.600 -0.063 0.000 1.346 725 S CA -0.737 57.435 58.200 -0.046 0.000 1.018 725 S CB 0.489 63.659 63.200 -0.051 0.000 0.899 725 S HN 0.328 nan 8.310 nan 0.000 0.542 726 I N 1.699 122.229 120.570 -0.066 0.000 2.362 726 I HA 0.246 4.418 4.170 0.004 0.000 0.289 726 I C 0.269 176.328 176.117 -0.096 0.000 0.994 726 I CA -0.395 60.852 61.300 -0.089 0.000 1.158 726 I CB 1.550 39.491 38.000 -0.098 0.000 1.315 726 I HN 0.678 nan 8.210 nan 0.000 0.451 727 Q N 5.628 125.357 119.800 -0.117 0.000 2.307 727 Q HA 0.322 4.664 4.340 0.004 0.000 0.259 727 Q C -0.765 175.153 176.000 -0.136 0.000 0.998 727 Q CA -0.481 55.247 55.803 -0.125 0.000 0.923 727 Q CB 1.502 30.163 28.738 -0.127 0.000 1.196 727 Q HN 0.433 nan 8.270 nan 0.000 0.416 728 L N 2.006 123.181 121.223 -0.080 0.000 2.334 728 L HA 0.419 4.761 4.340 0.004 0.000 0.270 728 L C -0.510 176.373 176.870 0.021 0.000 1.018 728 L CA -0.582 54.206 54.840 -0.087 0.000 0.811 728 L CB 1.317 43.376 42.059 0.001 0.000 1.271 728 L HN 0.539 nan 8.230 nan 0.000 0.443 729 H N 3.825 122.872 119.070 -0.039 0.000 2.562 729 H HA 0.317 4.875 4.556 0.004 0.000 0.352 729 H C -2.122 173.313 175.328 0.178 0.000 1.125 729 H CA -1.629 54.470 56.048 0.085 0.000 1.379 729 H CB 1.824 31.665 29.762 0.131 0.000 1.464 729 H HN 0.568 nan 8.280 nan 0.000 0.563 730 P HA -0.091 nan 4.420 nan 0.000 0.218 730 P C 1.742 179.264 177.300 0.370 0.000 1.152 730 P CA 0.733 63.996 63.100 0.272 0.000 0.826 730 P CB 0.552 32.348 31.700 0.159 0.000 0.790 731 L N -0.447 121.144 121.223 0.613 0.000 2.191 731 L HA -0.090 4.252 4.340 0.004 0.000 0.212 731 L C 2.331 179.318 176.870 0.195 0.000 1.103 731 L CA 1.081 56.090 54.840 0.282 0.000 0.769 731 L CB -0.700 41.439 42.059 0.133 0.000 0.908 731 L HN -0.169 nan 8.230 nan 0.000 0.438 732 V N -2.482 117.599 119.914 0.277 0.000 3.461 732 V HA -0.133 3.989 4.120 0.004 0.000 0.267 732 V C 2.088 178.352 176.094 0.284 0.000 1.186 732 V CA 0.558 63.001 62.300 0.238 0.000 1.154 732 V CB -0.202 31.873 31.823 0.420 0.000 0.802 732 V HN 0.501 nan 8.190 nan 0.000 0.474 733 C N 0.239 119.693 119.300 0.257 0.000 2.485 733 C HA -0.037 4.425 4.460 0.004 0.000 0.283 733 C C 2.462 177.526 174.990 0.123 0.000 1.478 733 C CA 0.777 59.904 59.018 0.181 0.000 1.741 733 C CB -1.152 26.626 27.740 0.063 0.000 1.675 733 C HN 0.586 nan 8.230 nan 0.000 0.573 734 E N 0.290 120.552 120.200 0.104 0.000 2.057 734 E HA -0.018 4.334 4.350 0.004 0.000 0.190 734 E C 2.372 179.005 176.600 0.054 0.000 0.969 734 E CA 0.898 57.334 56.400 0.061 0.000 0.812 734 E CB -0.209 29.511 29.700 0.033 0.000 0.777 734 E HN 0.599 nan 8.360 nan 0.000 0.455 735 A N 1.903 124.715 122.820 -0.014 0.000 1.849 735 A HA -0.184 4.138 4.320 0.004 0.000 0.216 735 A C 0.793 178.378 177.584 0.002 0.000 1.225 735 A CA 1.284 53.241 52.037 -0.133 0.000 0.653 735 A CB -1.291 17.473 19.000 -0.392 0.000 0.844 735 A HN 0.167 nan 8.150 nan 0.000 0.453 736 F N 0.411 120.427 119.950 0.109 0.000 2.543 736 F HA 0.200 4.729 4.527 0.003 0.000 0.375 736 F C 0.851 176.673 175.800 0.038 0.000 1.075 736 F CA -0.050 58.005 58.000 0.091 0.000 1.225 736 F CB -0.310 38.717 39.000 0.044 0.000 1.099 736 F HN 0.375 nan 8.300 nan 0.000 0.561 737 N N 2.841 121.662 118.700 0.202 0.000 2.892 737 N HA 0.343 5.086 4.740 0.004 0.000 0.300 737 N C -0.917 174.624 175.510 0.051 0.000 1.211 737 N CA -0.011 53.096 53.050 0.095 0.000 1.158 737 N CB -0.112 38.405 38.487 0.051 0.000 1.455 737 N HN 0.692 nan 8.380 nan 0.000 0.524 738 A N 2.415 125.246 122.820 0.018 0.000 2.401 738 A HA 0.642 4.964 4.320 0.004 0.000 0.310 738 A C -1.431 175.988 177.584 -0.276 0.000 1.075 738 A CA -0.817 51.150 52.037 -0.116 0.000 0.746 738 A CB 1.148 20.059 19.000 -0.148 0.000 1.277 738 A HN 0.748 nan 8.150 nan 0.000 0.425 739 D N -0.658 119.519 120.400 -0.372 0.000 2.861 739 D HA 0.401 5.043 4.640 0.004 0.000 0.216 739 D C -1.080 174.948 176.300 -0.454 0.000 1.323 739 D CA -0.474 53.215 54.000 -0.519 0.000 0.917 739 D CB 0.075 40.735 40.800 -0.233 0.000 1.582 739 D HN 0.261 nan 8.370 nan 0.000 0.576 740 F N 1.927 121.870 119.950 -0.012 0.000 2.616 740 F HA 0.174 4.703 4.527 0.003 0.000 0.331 740 F C 0.477 176.264 175.800 -0.023 0.000 1.309 740 F CA -0.218 57.767 58.000 -0.024 0.000 1.068 740 F CB -0.242 38.740 39.000 -0.030 0.000 1.464 740 F HN 0.348 nan 8.300 nan 0.000 0.667 741 D N 0.977 121.413 120.400 0.061 0.000 2.891 741 D HA 0.224 4.866 4.640 0.004 0.000 0.224 741 D C 0.930 177.239 176.300 0.015 0.000 1.321 741 D CA -0.312 53.709 54.000 0.034 0.000 0.929 741 D CB 1.648 42.449 40.800 0.002 0.000 1.551 741 D HN 0.503 nan 8.370 nan 0.000 0.574 742 G N 3.801 112.614 108.800 0.021 0.000 2.443 742 G HA2 -0.380 3.582 3.960 0.004 0.000 0.282 742 G HA3 -0.380 3.582 3.960 0.004 0.000 0.282 742 G C 0.187 175.088 174.900 0.002 0.000 1.092 742 G CA 1.820 46.927 45.100 0.013 0.000 0.681 742 G HN 0.840 nan 8.290 nan 0.000 0.601 743 D N -0.671 119.721 120.400 -0.013 0.000 2.313 743 D HA 0.570 5.212 4.640 0.004 0.000 0.247 743 D C 0.286 176.565 176.300 -0.036 0.000 1.094 743 D CA -0.248 53.734 54.000 -0.029 0.000 0.925 743 D CB 0.633 41.403 40.800 -0.050 0.000 1.188 743 D HN 0.449 nan 8.370 nan 0.000 0.430 744 Q N 0.191 119.964 119.800 -0.045 0.000 2.372 744 Q HA 0.505 4.847 4.340 0.004 0.000 0.273 744 Q C -0.910 175.039 176.000 -0.086 0.000 1.078 744 Q CA -0.785 54.986 55.803 -0.054 0.000 0.806 744 Q CB 2.643 31.360 28.738 -0.034 0.000 1.332 744 Q HN 0.437 nan 8.270 nan 0.000 0.435 745 M N 1.298 120.826 119.600 -0.120 0.000 2.436 745 M HA 0.671 5.153 4.480 0.004 0.000 0.331 745 M C -0.395 175.823 176.300 -0.137 0.000 1.135 745 M CA -0.638 54.559 55.300 -0.172 0.000 0.987 745 M CB 1.873 34.299 32.600 -0.290 0.000 1.687 745 M HN 0.766 nan 8.290 nan 0.000 0.445 746 A N 2.042 124.776 122.820 -0.142 0.000 2.240 746 A HA 0.829 5.151 4.320 0.004 0.000 0.292 746 A C -0.837 176.642 177.584 -0.175 0.000 1.121 746 A CA -0.628 51.330 52.037 -0.132 0.000 0.851 746 A CB 1.157 20.070 19.000 -0.145 0.000 1.167 746 A HN 0.701 nan 8.150 nan 0.000 0.503 747 V N 0.143 119.970 119.914 -0.145 0.000 2.891 747 V HA 0.650 4.772 4.120 0.004 0.000 0.304 747 V C -1.717 174.438 176.094 0.101 0.000 1.171 747 V CA -0.612 61.641 62.300 -0.078 0.000 0.943 747 V CB 1.894 33.723 31.823 0.010 0.000 1.037 747 V HN 1.062 nan 8.190 nan 0.000 0.427 748 H N 3.710 122.821 119.070 0.068 0.000 2.907 748 H HA 0.848 5.406 4.556 0.004 0.000 0.361 748 H C -0.701 174.657 175.328 0.049 0.000 1.194 748 H CA -0.052 56.031 56.048 0.059 0.000 1.152 748 H CB 2.087 31.876 29.762 0.045 0.000 1.867 748 H HN 0.875 nan 8.280 nan 0.000 0.561 749 V N -0.854 119.131 119.914 0.118 0.000 2.686 749 V HA 0.587 4.709 4.120 0.004 0.000 0.306 749 V C -2.921 173.078 176.094 -0.158 0.000 1.065 749 V CA -2.247 60.016 62.300 -0.062 0.000 0.894 749 V CB 1.948 33.579 31.823 -0.319 0.000 1.004 749 V HN 0.478 nan 8.190 nan 0.000 0.424 750 P HA 0.457 nan 4.420 nan 0.000 0.276 750 P C 0.524 177.676 177.300 -0.247 0.000 1.253 750 P CA -0.167 62.857 63.100 -0.126 0.000 0.766 750 P CB 1.211 32.886 31.700 -0.041 0.000 0.845 751 L N 0.944 122.012 121.223 -0.259 0.000 2.145 751 L HA 0.024 4.366 4.340 0.004 0.000 0.201 751 L C 1.388 178.186 176.870 -0.121 0.000 1.075 751 L CA 0.806 55.443 54.840 -0.340 0.000 0.773 751 L CB -0.404 41.437 42.059 -0.364 0.000 0.936 751 L HN 0.354 nan 8.230 nan 0.000 0.451 752 S N -0.393 115.283 115.700 -0.039 0.000 2.593 752 S HA 0.017 4.489 4.470 0.004 0.000 0.269 752 S C 1.456 176.112 174.600 0.093 0.000 1.334 752 S CA 0.012 58.241 58.200 0.049 0.000 1.015 752 S CB 1.213 64.453 63.200 0.067 0.000 0.912 752 S HN 0.338 nan 8.310 nan 0.000 0.541 753 S N 3.440 119.212 115.700 0.120 0.000 2.419 753 S HA -0.106 4.366 4.470 0.004 0.000 0.233 753 S C 1.527 176.176 174.600 0.083 0.000 1.016 753 S CA 0.903 59.162 58.200 0.098 0.000 0.974 753 S CB -0.677 62.572 63.200 0.082 0.000 0.786 753 S HN 0.728 nan 8.310 nan 0.000 0.492 754 F N 2.473 122.420 119.950 -0.005 0.000 2.074 754 F HA 0.130 4.659 4.527 0.003 0.000 0.293 754 F C 2.797 178.589 175.800 -0.015 0.000 1.116 754 F CA 1.025 59.016 58.000 -0.014 0.000 1.212 754 F CB -0.755 38.230 39.000 -0.025 0.000 0.998 754 F HN 0.266 nan 8.300 nan 0.000 0.471 755 A N -0.338 122.629 122.820 0.246 0.000 1.917 755 A HA -0.326 3.996 4.320 0.004 0.000 0.219 755 A C 1.995 179.617 177.584 0.063 0.000 1.182 755 A CA 2.061 54.175 52.037 0.128 0.000 0.633 755 A CB -1.032 18.001 19.000 0.055 0.000 0.819 755 A HN 0.515 nan 8.150 nan 0.000 0.448 756 Q N 0.169 119.995 119.800 0.043 0.000 2.061 756 Q HA -0.077 4.265 4.340 0.004 0.000 0.204 756 Q C 2.035 178.035 176.000 0.000 0.000 0.984 756 Q CA 2.586 58.402 55.803 0.022 0.000 0.846 756 Q CB -0.840 27.921 28.738 0.039 0.000 0.902 756 Q HN 0.543 nan 8.270 nan 0.000 0.421 757 A N 1.181 123.980 122.820 -0.034 0.000 1.849 757 A HA -0.321 4.001 4.320 0.004 0.000 0.217 757 A C 1.978 179.524 177.584 -0.062 0.000 1.202 757 A CA 2.377 54.360 52.037 -0.090 0.000 0.629 757 A CB -1.128 17.732 19.000 -0.233 0.000 0.834 757 A HN 0.728 nan 8.150 nan 0.000 0.447 758 E N 0.067 120.242 120.200 -0.042 0.000 2.058 758 E HA -0.132 4.220 4.350 0.004 0.000 0.194 758 E C 2.133 178.733 176.600 -0.000 0.000 0.997 758 E CA 1.254 57.654 56.400 0.000 0.000 0.801 758 E CB -0.597 29.143 29.700 0.067 0.000 0.746 758 E HN 0.537 nan 8.360 nan 0.000 0.450 759 A N 2.247 125.069 122.820 0.004 0.000 1.940 759 A HA -0.234 4.088 4.320 0.004 0.000 0.219 759 A C 2.331 179.887 177.584 -0.047 0.000 1.176 759 A CA 2.107 54.136 52.037 -0.012 0.000 0.631 759 A CB -0.706 18.297 19.000 0.005 0.000 0.814 759 A HN 0.426 nan 8.150 nan 0.000 0.446 760 R N -1.088 119.390 120.500 -0.036 0.000 2.254 760 R HA 0.329 4.671 4.340 0.004 0.000 0.195 760 R C 1.455 177.735 176.300 -0.034 0.000 0.957 760 R CA 0.878 56.948 56.100 -0.051 0.000 1.024 760 R CB -0.274 30.019 30.300 -0.012 0.000 0.952 760 R HN 0.463 nan 8.270 nan 0.000 0.484 761 I N 1.272 121.840 120.570 -0.003 0.000 2.628 761 I HA -0.091 4.081 4.170 0.004 0.000 0.255 761 I C 2.055 178.233 176.117 0.102 0.000 1.119 761 I CA 0.846 62.179 61.300 0.056 0.000 1.448 761 I CB 0.181 38.191 38.000 0.017 0.000 1.133 761 I HN 0.278 nan 8.210 nan 0.000 0.438 762 Q N -0.183 119.638 119.800 0.035 0.000 2.189 762 Q HA 0.192 4.534 4.340 0.004 0.000 0.223 762 Q C 1.519 177.506 176.000 -0.023 0.000 0.828 762 Q CA 0.070 55.898 55.803 0.041 0.000 0.967 762 Q CB 0.571 29.328 28.738 0.032 0.000 1.139 762 Q HN 0.383 nan 8.270 nan 0.000 0.497 763 M N 0.799 120.350 119.600 -0.081 0.000 2.306 763 M HA 0.294 4.776 4.480 0.004 0.000 0.292 763 M C -0.303 175.854 176.300 -0.239 0.000 1.018 763 M CA -0.473 54.757 55.300 -0.118 0.000 1.007 763 M CB 0.928 33.488 32.600 -0.067 0.000 1.510 763 M HN 0.318 nan 8.290 nan 0.000 0.537 764 L N 0.270 121.273 121.223 -0.366 0.000 2.476 764 L HA 0.314 4.656 4.340 0.004 0.000 0.264 764 L C 1.316 177.834 176.870 -0.587 0.000 1.224 764 L CA 0.741 55.244 54.840 -0.561 0.000 0.821 764 L CB 0.815 42.481 42.059 -0.654 0.000 1.101 764 L HN 0.422 nan 8.230 nan 0.000 0.488 765 S N 2.500 117.761 115.700 -0.732 0.000 2.343 765 S HA -0.121 4.351 4.470 0.004 0.000 0.219 765 S C 1.718 176.139 174.600 -0.297 0.000 1.033 765 S CA 0.724 58.600 58.200 -0.540 0.000 1.014 765 S CB -1.313 61.504 63.200 -0.639 0.000 0.915 765 S HN 0.944 nan 8.310 nan 0.000 0.435 766 A N 1.250 123.936 122.820 -0.223 0.000 2.259 766 A HA -0.063 4.259 4.320 0.004 0.000 0.212 766 A C 1.721 179.377 177.584 0.121 0.000 1.178 766 A CA 1.321 53.332 52.037 -0.043 0.000 0.734 766 A CB -0.853 18.165 19.000 0.030 0.000 0.774 766 A HN 0.689 nan 8.150 nan 0.000 0.481 767 H N 0.001 118.983 119.070 -0.147 0.000 2.520 767 H HA 0.099 4.657 4.556 0.003 0.000 0.279 767 H C 0.072 175.309 175.328 -0.152 0.000 0.990 767 H CA 0.414 56.391 56.048 -0.119 0.000 1.288 767 H CB 0.095 29.802 29.762 -0.092 0.000 1.446 767 H HN 0.411 nan 8.280 nan 0.000 0.538 768 N N 2.191 120.855 118.700 -0.060 0.000 3.234 768 N HA 0.086 4.828 4.740 0.004 0.000 0.272 768 N C 0.875 176.269 175.510 -0.193 0.000 1.254 768 N CA 0.009 52.979 53.050 -0.134 0.000 1.087 768 N CB 0.807 39.202 38.487 -0.155 0.000 1.356 768 N HN 0.303 nan 8.380 nan 0.000 0.511 769 L N -1.408 119.666 121.223 -0.247 0.000 2.127 769 L HA 0.268 4.610 4.340 0.004 0.000 0.203 769 L C 0.659 177.364 176.870 -0.275 0.000 1.080 769 L CA 0.934 55.596 54.840 -0.295 0.000 0.768 769 L CB -0.428 41.353 42.059 -0.463 0.000 0.924 769 L HN 0.075 nan 8.230 nan 0.000 0.444 770 L N 1.375 122.428 121.223 -0.284 0.000 2.375 770 L HA 0.378 4.720 4.340 0.004 0.000 0.271 770 L C 0.628 177.412 176.870 -0.144 0.000 1.107 770 L CA -0.553 54.174 54.840 -0.188 0.000 0.806 770 L CB 1.235 43.228 42.059 -0.111 0.000 1.146 770 L HN 0.297 nan 8.230 nan 0.000 0.447 771 S N 0.909 116.533 115.700 -0.127 0.000 2.610 771 S HA 0.359 4.831 4.470 0.004 0.000 0.273 771 S C -2.075 172.496 174.600 -0.048 0.000 1.274 771 S CA -1.155 56.983 58.200 -0.104 0.000 1.023 771 S CB 1.391 64.541 63.200 -0.084 0.000 0.962 771 S HN 0.405 nan 8.310 nan 0.000 0.523 772 P HA 0.151 nan 4.420 nan 0.000 0.225 772 P C 1.310 178.660 177.300 0.084 0.000 1.156 772 P CA 1.000 64.121 63.100 0.035 0.000 0.787 772 P CB -0.068 31.621 31.700 -0.019 0.000 0.802 773 A N -0.131 122.692 122.820 0.005 0.000 1.840 773 A HA 0.020 4.342 4.320 0.004 0.000 0.214 773 A C 1.293 178.953 177.584 0.128 0.000 1.198 773 A CA 1.613 53.669 52.037 0.032 0.000 0.608 773 A CB -1.042 17.959 19.000 0.002 0.000 0.839 773 A HN 0.333 nan 8.150 nan 0.000 0.443 774 S N -2.601 113.118 115.700 0.033 0.000 2.600 774 S HA 0.554 5.026 4.470 0.004 0.000 0.300 774 S C 0.766 175.283 174.600 -0.139 0.000 1.087 774 S CA -0.060 58.122 58.200 -0.029 0.000 0.965 774 S CB 1.474 64.634 63.200 -0.067 0.000 1.089 774 S HN 0.734 nan 8.310 nan 0.000 0.496 775 G N 0.210 108.830 108.800 -0.300 0.000 2.882 775 G HA2 0.103 4.065 3.960 0.004 0.000 0.206 775 G HA3 0.103 4.065 3.960 0.004 0.000 0.206 775 G C 0.213 174.793 174.900 -0.533 0.000 1.155 775 G CA 0.033 44.821 45.100 -0.521 0.000 0.800 775 G HN 0.618 nan 8.290 nan 0.000 0.524 776 E N 0.901 120.866 120.200 -0.393 0.000 2.331 776 E HA 0.243 4.596 4.350 0.004 0.000 0.272 776 E C -2.172 174.257 176.600 -0.284 0.000 1.036 776 E CA -2.295 53.865 56.400 -0.400 0.000 0.864 776 E CB 1.175 30.736 29.700 -0.231 0.000 1.035 776 E HN 0.045 nan 8.360 nan 0.000 0.408 777 P HA 0.004 nan 4.420 nan 0.000 0.271 777 P C 0.292 177.525 177.300 -0.112 0.000 1.233 777 P CA -0.114 62.898 63.100 -0.146 0.000 0.789 777 P CB 0.570 32.234 31.700 -0.061 0.000 0.951 778 L N 1.033 122.191 121.223 -0.108 0.000 2.878 778 L HA 0.362 4.704 4.340 0.004 0.000 0.253 778 L C 1.133 177.962 176.870 -0.068 0.000 1.135 778 L CA 0.545 55.334 54.840 -0.086 0.000 0.943 778 L CB -0.359 41.633 42.059 -0.113 0.000 1.307 778 L HN 0.318 nan 8.230 nan 0.000 0.545 779 A N 0.421 123.195 122.820 -0.077 0.000 3.117 779 A HA 0.273 4.595 4.320 0.004 0.000 0.255 779 A C 0.208 177.781 177.584 -0.018 0.000 1.583 779 A CA -0.269 51.735 52.037 -0.055 0.000 1.234 779 A CB -0.971 17.979 19.000 -0.083 0.000 1.076 779 A HN 0.202 nan 8.150 nan 0.000 0.653 780 K N 1.133 121.528 120.400 -0.007 0.000 2.172 780 K HA 0.423 4.745 4.320 0.004 0.000 0.276 780 K C -2.786 173.825 176.600 0.019 0.000 1.013 780 K CA -1.848 54.447 56.287 0.012 0.000 0.913 780 K CB 0.677 33.183 32.500 0.010 0.000 1.055 780 K HN 0.118 nan 8.250 nan 0.000 0.461 781 P HA -0.022 nan 4.420 nan 0.000 0.265 781 P C -0.676 176.633 177.300 0.015 0.000 1.193 781 P CA 0.353 63.462 63.100 0.016 0.000 0.765 781 P CB 0.802 32.519 31.700 0.029 0.000 0.823 782 S N 2.629 118.333 115.700 0.005 0.000 2.607 782 S HA 0.201 4.673 4.470 0.004 0.000 0.272 782 S C 1.589 176.205 174.600 0.026 0.000 1.166 782 S CA -0.633 57.580 58.200 0.022 0.000 1.021 782 S CB 0.302 63.526 63.200 0.039 0.000 1.113 782 S HN 0.372 nan 8.310 nan 0.000 0.531 783 R N 1.043 121.566 120.500 0.038 0.000 2.113 783 R HA -0.169 4.173 4.340 0.004 0.000 0.244 783 R C 1.496 177.833 176.300 0.062 0.000 1.142 783 R CA 2.013 58.136 56.100 0.039 0.000 0.953 783 R CB -0.555 29.770 30.300 0.041 0.000 0.860 783 R HN 0.473 nan 8.270 nan 0.000 0.438 784 D N 0.122 120.586 120.400 0.107 0.000 2.077 784 D HA -0.072 4.570 4.640 0.004 0.000 0.196 784 D C 1.827 178.204 176.300 0.129 0.000 0.986 784 D CA 1.004 55.117 54.000 0.189 0.000 0.829 784 D CB -0.128 40.945 40.800 0.455 0.000 0.983 784 D HN 0.013 nan 8.370 nan 0.000 0.453 785 I N 0.743 121.303 120.570 -0.016 0.000 2.226 785 I HA -0.187 3.985 4.170 0.004 0.000 0.245 785 I C 2.273 178.427 176.117 0.063 0.000 1.100 785 I CA 0.683 61.956 61.300 -0.044 0.000 1.374 785 I CB -0.320 37.587 38.000 -0.155 0.000 1.057 785 I HN 0.053 nan 8.210 nan 0.000 0.413 786 I N -0.715 119.891 120.570 0.061 0.000 2.163 786 I HA -0.323 3.849 4.170 0.004 0.000 0.243 786 I C 2.425 178.624 176.117 0.136 0.000 1.085 786 I CA 1.148 62.503 61.300 0.092 0.000 1.347 786 I CB -0.520 37.513 38.000 0.055 0.000 1.044 786 I HN 0.192 nan 8.210 nan 0.000 0.408 787 L N 1.122 122.400 121.223 0.091 0.000 2.081 787 L HA -0.166 4.176 4.340 0.004 0.000 0.212 787 L C 2.302 179.289 176.870 0.195 0.000 1.080 787 L CA 2.267 57.162 54.840 0.092 0.000 0.754 787 L CB -1.149 40.937 42.059 0.045 0.000 0.893 787 L HN 0.250 nan 8.230 nan 0.000 0.433 788 G N -1.317 107.602 108.800 0.198 0.000 2.395 788 G HA2 -0.150 3.812 3.960 0.004 0.000 0.214 788 G HA3 -0.150 3.812 3.960 0.004 0.000 0.214 788 G C 1.531 176.650 174.900 0.365 0.000 1.177 788 G CA 0.586 45.844 45.100 0.263 0.000 0.794 788 G HN 0.383 nan 8.290 nan 0.000 0.532 789 L N -0.752 120.649 121.223 0.296 0.000 2.376 789 L HA 0.061 4.403 4.340 0.004 0.000 0.219 789 L C 2.421 179.421 176.870 0.217 0.000 1.133 789 L CA 0.425 55.432 54.840 0.277 0.000 0.816 789 L CB -0.262 41.907 42.059 0.183 0.000 0.933 789 L HN 0.291 nan 8.230 nan 0.000 0.449 790 Y N -0.447 119.926 120.300 0.120 0.000 2.138 790 Y HA -0.294 4.258 4.550 0.003 0.000 0.286 790 Y C 2.635 178.631 175.900 0.161 0.000 1.115 790 Y CA 1.416 59.565 58.100 0.082 0.000 1.105 790 Y CB -0.567 37.936 38.460 0.072 0.000 1.004 790 Y HN -0.027 nan 8.280 nan 0.000 0.494 791 Y N 0.735 121.282 120.300 0.411 0.000 2.096 791 Y HA -0.375 4.177 4.550 0.003 0.000 0.278 791 Y C 2.636 178.613 175.900 0.128 0.000 1.192 791 Y CA 2.313 60.591 58.100 0.296 0.000 1.143 791 Y CB -0.591 37.906 38.460 0.061 0.000 0.963 791 Y HN 0.373 nan 8.280 nan 0.000 0.505 792 I N -0.302 120.405 120.570 0.228 0.000 2.493 792 I HA -0.207 3.966 4.170 0.004 0.000 0.254 792 I C 1.905 178.031 176.117 0.015 0.000 1.160 792 I CA 2.431 63.756 61.300 0.041 0.000 1.445 792 I CB -0.830 37.221 38.000 0.085 0.000 1.086 792 I HN 0.502 nan 8.210 nan 0.000 0.433 793 T N -1.433 113.107 114.554 -0.024 0.000 3.044 793 T HA 0.028 4.380 4.350 0.004 0.000 0.250 793 T C 0.982 175.580 174.700 -0.169 0.000 1.081 793 T CA -0.187 61.844 62.100 -0.115 0.000 1.040 793 T CB -0.198 68.530 68.868 -0.233 0.000 0.962 793 T HN 0.523 nan 8.240 nan 0.000 0.506 794 Q N 1.289 120.988 119.800 -0.169 0.000 2.340 794 Q HA 0.464 4.806 4.340 0.004 0.000 0.249 794 Q C -0.944 174.971 176.000 -0.142 0.000 0.957 794 Q CA -0.458 55.193 55.803 -0.253 0.000 0.882 794 Q CB 1.120 29.609 28.738 -0.416 0.000 1.235 794 Q HN 0.191 nan 8.270 nan 0.000 0.439 795 V N 4.511 124.318 119.914 -0.178 0.000 2.532 795 V HA 0.478 4.600 4.120 0.004 0.000 0.295 795 V C -0.015 176.000 176.094 -0.132 0.000 1.041 795 V CA -0.547 61.689 62.300 -0.105 0.000 0.926 795 V CB 1.585 33.361 31.823 -0.078 0.000 0.992 795 V HN 0.850 nan 8.190 nan 0.000 0.457 796 R N 3.083 123.550 120.500 -0.056 0.000 2.720 796 R HA 0.730 5.073 4.340 0.004 0.000 0.272 796 R C -1.273 175.015 176.300 -0.019 0.000 0.991 796 R CA -1.011 55.062 56.100 -0.045 0.000 1.010 796 R CB 1.745 32.069 30.300 0.040 0.000 1.141 796 R HN 0.569 nan 8.270 nan 0.000 0.494 797 K N 0.649 121.038 120.400 -0.018 0.000 2.422 797 K HA 0.278 4.600 4.320 0.004 0.000 0.251 797 K C -0.201 176.400 176.600 0.001 0.000 0.933 797 K CA -0.654 55.629 56.287 -0.007 0.000 0.798 797 K CB 2.352 34.841 32.500 -0.018 0.000 1.238 797 K HN 0.408 nan 8.250 nan 0.000 0.428 798 E N 1.388 121.592 120.200 0.006 0.000 3.441 798 E HA 0.189 4.541 4.350 0.004 0.000 0.195 798 E C -1.086 175.511 176.600 -0.004 0.000 1.172 798 E CA 0.440 56.844 56.400 0.006 0.000 1.457 798 E CB 0.799 30.512 29.700 0.022 0.000 1.388 798 E HN 0.410 nan 8.360 nan 0.000 0.551 799 K N 0.207 120.606 120.400 -0.001 0.000 2.550 799 K HA 0.330 4.652 4.320 0.004 0.000 0.252 799 K C -1.653 174.939 176.600 -0.012 0.000 0.943 799 K CA -0.705 55.576 56.287 -0.009 0.000 0.806 799 K CB 1.632 34.129 32.500 -0.006 0.000 1.289 799 K HN -0.047 nan 8.250 nan 0.000 0.435 800 K N 3.390 123.779 120.400 -0.018 0.000 2.621 800 K HA 0.323 4.645 4.320 0.004 0.000 0.233 800 K C -0.453 176.129 176.600 -0.030 0.000 0.972 800 K CA -0.346 55.927 56.287 -0.024 0.000 0.988 800 K CB 1.240 33.729 32.500 -0.019 0.000 1.187 800 K HN 0.896 nan 8.250 nan 0.000 0.471 801 G N 2.053 110.832 108.800 -0.036 0.000 2.727 801 G HA2 0.228 4.190 3.960 0.004 0.000 0.203 801 G HA3 0.228 4.190 3.960 0.004 0.000 0.203 801 G C -0.010 174.861 174.900 -0.048 0.000 1.117 801 G CA 0.206 45.284 45.100 -0.035 0.000 0.817 801 G HN 0.594 nan 8.290 nan 0.000 0.553 802 A N 0.318 123.096 122.820 -0.071 0.000 2.312 802 A HA 0.688 5.010 4.320 0.004 0.000 0.328 802 A C 0.941 178.426 177.584 -0.165 0.000 1.158 802 A CA 0.102 52.074 52.037 -0.107 0.000 0.821 802 A CB 0.333 19.262 19.000 -0.119 0.000 1.170 802 A HN 1.285 nan 8.150 nan 0.000 0.490 803 G N -0.098 108.593 108.800 -0.182 0.000 2.886 803 G HA2 0.090 4.052 3.960 0.004 0.000 0.276 803 G HA3 0.090 4.052 3.960 0.004 0.000 0.276 803 G C 0.468 175.258 174.900 -0.184 0.000 0.382 803 G CA 0.732 45.721 45.100 -0.186 0.000 1.168 803 G HN 1.858 nan 8.290 nan 0.000 0.205 804 L N -1.053 120.144 121.223 -0.043 0.000 3.014 804 L HA 0.513 4.856 4.340 0.004 0.000 0.263 804 L C 0.554 177.481 176.870 0.096 0.000 1.207 804 L CA -0.276 54.578 54.840 0.022 0.000 1.017 804 L CB 0.425 42.491 42.059 0.012 0.000 1.360 804 L HN 0.467 nan 8.230 nan 0.000 0.560 805 E N 0.455 120.732 120.200 0.128 0.000 2.464 805 E HA 0.051 4.403 4.350 0.004 0.000 0.260 805 E C 0.512 177.199 176.600 0.146 0.000 1.318 805 E CA -0.322 56.145 56.400 0.111 0.000 1.571 805 E CB 0.155 29.894 29.700 0.065 0.000 1.525 805 E HN 0.471 nan 8.360 nan 0.000 0.449 806 F N 1.942 121.952 119.950 0.101 0.000 2.293 806 F HA -0.098 4.431 4.527 0.003 0.000 0.300 806 F C 2.093 177.902 175.800 0.015 0.000 1.086 806 F CA 1.046 59.075 58.000 0.048 0.000 1.375 806 F CB -0.077 38.942 39.000 0.032 0.000 1.045 806 F HN 0.279 nan 8.300 nan 0.000 0.516 807 A N 0.078 122.719 122.820 -0.298 0.000 2.001 807 A HA -0.365 3.957 4.320 0.004 0.000 0.224 807 A C 2.149 179.448 177.584 -0.474 0.000 1.203 807 A CA 3.375 55.204 52.037 -0.347 0.000 0.667 807 A CB -1.486 17.438 19.000 -0.127 0.000 0.823 807 A HN 0.594 nan 8.150 nan 0.000 0.473 808 T N -4.465 109.852 114.554 -0.395 0.000 3.238 808 T HA 0.313 4.665 4.350 0.004 0.000 0.242 808 T C -1.712 172.817 174.700 -0.285 0.000 0.980 808 T CA -0.016 61.911 62.100 -0.288 0.000 1.235 808 T CB -1.478 67.302 68.868 -0.146 0.000 1.069 808 T HN 0.302 nan 8.240 nan 0.000 0.407 809 P HA 0.297 nan 4.420 nan 0.000 0.271 809 P C 0.350 177.596 177.300 -0.091 0.000 1.218 809 P CA -0.218 62.811 63.100 -0.118 0.000 0.780 809 P CB 0.734 32.399 31.700 -0.058 0.000 0.901 810 E N 1.008 121.195 120.200 -0.021 0.000 2.442 810 E HA -0.124 4.228 4.350 0.004 0.000 0.195 810 E C 1.143 177.765 176.600 0.037 0.000 1.030 810 E CA 0.319 56.756 56.400 0.062 0.000 0.869 810 E CB -0.141 29.579 29.700 0.034 0.000 0.857 810 E HN 0.486 nan 8.360 nan 0.000 0.505 811 E N 1.343 121.534 120.200 -0.016 0.000 2.230 811 E HA 0.060 4.412 4.350 0.004 0.000 0.192 811 E C 1.919 178.420 176.600 -0.166 0.000 0.987 811 E CA 1.000 57.367 56.400 -0.055 0.000 0.841 811 E CB -0.165 29.513 29.700 -0.037 0.000 0.783 811 E HN 0.261 nan 8.360 nan 0.000 0.481 812 A N 1.225 123.939 122.820 -0.177 0.000 1.969 812 A HA -0.004 4.318 4.320 0.004 0.000 0.218 812 A C 2.193 179.596 177.584 -0.301 0.000 1.169 812 A CA 1.419 53.173 52.037 -0.472 0.000 0.635 812 A CB -0.726 18.232 19.000 -0.069 0.000 0.810 812 A HN 0.430 nan 8.150 nan 0.000 0.445 813 L N -1.618 119.662 121.223 0.094 0.000 2.023 813 L HA 0.180 4.522 4.340 0.004 0.000 0.205 813 L C 2.438 179.216 176.870 -0.153 0.000 1.073 813 L CA 2.143 56.939 54.840 -0.073 0.000 0.745 813 L CB -1.426 40.640 42.059 0.012 0.000 0.900 813 L HN 0.149 nan 8.230 nan 0.000 0.435 814 A N 0.544 123.304 122.820 -0.100 0.000 1.835 814 A HA -0.017 4.306 4.320 0.004 0.000 0.215 814 A C 2.574 180.115 177.584 -0.072 0.000 1.199 814 A CA 2.485 54.474 52.037 -0.080 0.000 0.615 814 A CB -1.509 17.461 19.000 -0.049 0.000 0.838 814 A HN 0.662 nan 8.150 nan 0.000 0.444 815 A N -0.688 122.077 122.820 -0.092 0.000 1.884 815 A HA -0.253 4.069 4.320 0.004 0.000 0.219 815 A C 1.883 179.572 177.584 0.174 0.000 1.197 815 A CA 2.059 54.106 52.037 0.017 0.000 0.637 815 A CB -1.064 17.952 19.000 0.026 0.000 0.827 815 A HN 0.694 nan 8.150 nan 0.000 0.450 816 H N -0.965 118.109 119.070 0.007 0.000 2.547 816 H HA 0.161 4.719 4.556 0.004 0.000 0.266 816 H C 1.610 176.912 175.328 -0.044 0.000 0.988 816 H CA 0.750 56.795 56.048 -0.005 0.000 1.147 816 H CB -0.093 29.682 29.762 0.021 0.000 1.365 816 H HN 0.707 nan 8.280 nan 0.000 0.589 817 E N 1.304 121.512 120.200 0.014 0.000 2.216 817 E HA -0.041 4.311 4.350 0.004 0.000 0.192 817 E C 1.359 177.942 176.600 -0.028 0.000 0.973 817 E CA 0.149 56.516 56.400 -0.055 0.000 0.851 817 E CB 0.462 30.095 29.700 -0.112 0.000 0.804 817 E HN 0.432 nan 8.360 nan 0.000 0.477 818 R N -0.462 120.038 120.500 -0.001 0.000 2.100 818 R HA 0.126 4.468 4.340 0.004 0.000 0.220 818 R C 2.463 178.776 176.300 0.022 0.000 1.091 818 R CA 0.896 57.000 56.100 0.007 0.000 0.986 818 R CB -0.567 29.739 30.300 0.010 0.000 0.888 818 R HN 0.041 nan 8.270 nan 0.000 0.444 819 G N 1.498 110.326 108.800 0.047 0.000 2.432 819 G HA2 -0.293 3.669 3.960 0.004 0.000 0.219 819 G HA3 -0.293 3.669 3.960 0.004 0.000 0.219 819 G C 1.362 176.276 174.900 0.024 0.000 1.135 819 G CA 0.571 45.697 45.100 0.042 0.000 0.767 819 G HN 0.299 nan 8.290 nan 0.000 0.550 820 E N 0.641 120.854 120.200 0.022 0.000 2.072 820 E HA -0.078 4.274 4.350 0.004 0.000 0.190 820 E C 2.695 179.303 176.600 0.014 0.000 0.982 820 E CA 0.894 57.301 56.400 0.012 0.000 0.803 820 E CB -0.231 29.466 29.700 -0.005 0.000 0.755 820 E HN 0.243 nan 8.360 nan 0.000 0.453 821 V N 1.864 121.783 119.914 0.008 0.000 2.469 821 V HA -0.228 3.894 4.120 0.004 0.000 0.251 821 V C 1.963 178.067 176.094 0.017 0.000 1.064 821 V CA 1.443 63.751 62.300 0.013 0.000 1.066 821 V CB -0.970 30.856 31.823 0.006 0.000 0.667 821 V HN 0.342 nan 8.190 nan 0.000 0.461 822 A N -0.084 122.745 122.820 0.015 0.000 2.790 822 A HA 0.398 4.720 4.320 0.004 0.000 0.225 822 A C 1.024 178.618 177.584 0.016 0.000 1.904 822 A CA 0.514 52.560 52.037 0.015 0.000 0.878 822 A CB -0.114 18.894 19.000 0.015 0.000 1.774 822 A HN 0.290 nan 8.150 nan 0.000 0.714 823 L N -1.144 120.086 121.223 0.013 0.000 2.731 823 L HA 0.259 4.601 4.340 0.004 0.000 0.240 823 L C 1.775 178.650 176.870 0.008 0.000 1.120 823 L CA 0.535 55.383 54.840 0.012 0.000 0.913 823 L CB -0.465 41.601 42.059 0.011 0.000 1.213 823 L HN 0.779 nan 8.230 nan 0.000 0.515 824 N N 0.791 119.493 118.700 0.004 0.000 2.080 824 N HA 0.009 4.751 4.740 0.004 0.000 0.189 824 N C 0.804 176.309 175.510 -0.009 0.000 1.036 824 N CA 0.876 53.922 53.050 -0.006 0.000 0.846 824 N CB 0.201 38.681 38.487 -0.011 0.000 1.015 824 N HN 0.306 nan 8.380 nan 0.000 0.423 825 A N 0.865 123.683 122.820 -0.003 0.000 2.271 825 A HA 0.529 4.851 4.320 0.004 0.000 0.317 825 A C -2.471 175.119 177.584 0.010 0.000 1.245 825 A CA -1.447 50.587 52.037 -0.004 0.000 0.857 825 A CB 1.134 20.133 19.000 -0.001 0.000 1.175 825 A HN 0.155 nan 8.150 nan 0.000 0.512 826 P HA 0.213 nan 4.420 nan 0.000 0.274 826 P C 0.532 177.852 177.300 0.034 0.000 1.260 826 P CA -0.323 62.793 63.100 0.027 0.000 0.793 826 P CB 0.471 32.185 31.700 0.024 0.000 1.048 827 I N -0.869 119.737 120.570 0.059 0.000 3.251 827 I HA -0.038 4.134 4.170 0.004 0.000 0.277 827 I C 0.620 176.783 176.117 0.077 0.000 1.268 827 I CA 1.440 62.793 61.300 0.089 0.000 1.449 827 I CB -0.668 37.432 38.000 0.167 0.000 1.083 827 I HN 0.141 nan 8.210 nan 0.000 0.464 828 K N 0.527 120.959 120.400 0.054 0.000 2.920 828 K HA 0.461 4.783 4.320 0.004 0.000 0.175 828 K C -1.165 175.450 176.600 0.026 0.000 1.099 828 K CA -0.199 56.112 56.287 0.041 0.000 0.939 828 K CB 1.736 34.259 32.500 0.039 0.000 1.148 828 K HN -0.179 nan 8.250 nan 0.000 0.613 829 V N 1.441 121.369 119.914 0.024 0.000 2.472 829 V HA 0.363 4.485 4.120 0.004 0.000 0.290 829 V C 0.467 176.574 176.094 0.021 0.000 1.037 829 V CA -1.015 61.295 62.300 0.017 0.000 0.908 829 V CB 1.547 33.379 31.823 0.015 0.000 0.985 829 V HN 0.689 nan 8.190 nan 0.000 0.454 830 A N 3.862 126.690 122.820 0.013 0.000 2.618 830 A HA 0.494 4.816 4.320 0.004 0.000 0.293 830 A C 0.810 178.411 177.584 0.028 0.000 1.413 830 A CA 0.612 52.659 52.037 0.016 0.000 1.074 830 A CB -0.831 18.173 19.000 0.006 0.000 1.087 830 A HN 1.207 nan 8.150 nan 0.000 0.553 831 G N 2.183 111.010 108.800 0.046 0.000 3.329 831 G HA2 0.418 4.380 3.960 0.004 0.000 0.313 831 G HA3 0.418 4.380 3.960 0.004 0.000 0.313 831 G C 0.501 175.452 174.900 0.085 0.000 1.611 831 G CA -0.460 44.685 45.100 0.074 0.000 0.991 831 G HN 0.697 nan 8.290 nan 0.000 0.508 832 R N 1.207 121.745 120.500 0.063 0.000 2.562 832 R HA -0.327 4.016 4.340 0.004 0.000 0.226 832 R C 2.246 178.590 176.300 0.074 0.000 0.907 832 R CA 2.707 58.840 56.100 0.055 0.000 0.366 832 R CB -0.618 29.706 30.300 0.040 0.000 0.654 832 R HN 0.512 nan 8.270 nan 0.000 0.255 833 E N -1.063 119.192 120.200 0.091 0.000 2.019 833 E HA -0.097 4.255 4.350 0.004 0.000 0.208 833 E C 0.273 176.958 176.600 0.142 0.000 1.030 833 E CA 2.275 58.746 56.400 0.117 0.000 0.856 833 E CB -0.201 29.584 29.700 0.141 0.000 0.781 833 E HN 0.738 nan 8.360 nan 0.000 0.471 834 T N -1.584 113.093 114.554 0.204 0.000 3.143 834 T HA 0.490 4.842 4.350 0.004 0.000 0.312 834 T C -0.369 174.379 174.700 0.079 0.000 0.986 834 T CA -0.768 61.406 62.100 0.123 0.000 1.024 834 T CB 1.443 70.364 68.868 0.087 0.000 1.030 834 T HN 0.104 nan 8.240 nan 0.000 0.448 835 S N 1.871 117.600 115.700 0.048 0.000 2.579 835 S HA 0.194 4.666 4.470 0.004 0.000 0.275 835 S C 1.743 176.321 174.600 -0.036 0.000 1.345 835 S CA -0.273 57.943 58.200 0.026 0.000 1.031 835 S CB 1.194 64.413 63.200 0.030 0.000 0.892 835 S HN 1.147 nan 8.310 nan 0.000 0.529 836 V N 2.346 122.228 119.914 -0.053 0.000 2.660 836 V HA -0.101 4.021 4.120 0.004 0.000 0.257 836 V C 2.034 178.016 176.094 -0.186 0.000 1.088 836 V CA 2.548 64.767 62.300 -0.135 0.000 1.106 836 V CB -1.544 30.225 31.823 -0.090 0.000 0.686 836 V HN 1.069 nan 8.190 nan 0.000 0.481 837 G N -0.188 108.565 108.800 -0.078 0.000 2.450 837 G HA2 -0.277 3.685 3.960 0.004 0.000 0.220 837 G HA3 -0.277 3.685 3.960 0.004 0.000 0.220 837 G C 1.629 176.491 174.900 -0.063 0.000 1.130 837 G CA 0.949 46.041 45.100 -0.014 0.000 0.760 837 G HN 0.546 nan 8.290 nan 0.000 0.557 838 R N -1.031 119.435 120.500 -0.056 0.000 2.173 838 R HA 0.308 4.650 4.340 0.004 0.000 0.208 838 R C 2.295 178.513 176.300 -0.136 0.000 1.035 838 R CA 0.005 56.092 56.100 -0.022 0.000 1.004 838 R CB -0.446 29.859 30.300 0.009 0.000 0.917 838 R HN 0.304 nan 8.270 nan 0.000 0.462 839 L N 0.944 122.017 121.223 -0.250 0.000 2.056 839 L HA -0.080 4.262 4.340 0.004 0.000 0.207 839 L C 1.946 178.617 176.870 -0.332 0.000 1.078 839 L CA 1.777 56.424 54.840 -0.322 0.000 0.749 839 L CB -0.144 41.656 42.059 -0.431 0.000 0.901 839 L HN -0.004 nan 8.230 nan 0.000 0.433 840 K N -1.573 118.526 120.400 -0.501 0.000 2.025 840 K HA -0.098 4.225 4.320 0.004 0.000 0.207 840 K C -0.455 175.850 176.600 -0.492 0.000 1.049 840 K CA 1.140 57.047 56.287 -0.632 0.000 0.933 840 K CB 0.001 31.833 32.500 -1.113 0.000 0.714 840 K HN 0.265 nan 8.250 nan 0.000 0.438 841 Y N 0.032 120.325 120.300 -0.012 0.000 2.364 841 Y HA 0.435 4.987 4.550 0.004 0.000 0.340 841 Y C -0.642 175.252 175.900 -0.011 0.000 0.975 841 Y CA -1.671 56.413 58.100 -0.027 0.000 1.089 841 Y CB 1.537 40.145 38.460 0.246 0.000 1.192 841 Y HN -0.285 nan 8.280 nan 0.000 0.454 842 V N 0.115 119.969 119.914 -0.099 0.000 2.577 842 V HA 0.668 4.791 4.120 0.004 0.000 0.303 842 V C -1.393 174.528 176.094 -0.288 0.000 1.042 842 V CA -1.205 61.067 62.300 -0.046 0.000 0.872 842 V CB 1.441 33.230 31.823 -0.056 0.000 0.998 842 V HN 0.580 nan 8.190 nan 0.000 0.423 843 F N 2.933 122.915 119.950 0.054 0.000 2.477 843 F HA 0.860 5.389 4.527 0.004 0.000 0.335 843 F C 1.149 176.970 175.800 0.035 0.000 1.130 843 F CA 0.071 58.096 58.000 0.042 0.000 0.948 843 F CB 2.022 41.043 39.000 0.035 0.000 1.154 843 F HN 0.828 nan 8.300 nan 0.000 0.439 844 A N 3.084 125.989 122.820 0.142 0.000 1.904 844 A HA -0.129 4.193 4.320 0.004 0.000 0.207 844 A C 0.955 178.607 177.584 0.115 0.000 1.231 844 A CA 1.081 53.175 52.037 0.094 0.000 0.655 844 A CB -0.773 18.258 19.000 0.052 0.000 0.875 844 A HN 0.714 nan 8.150 nan 0.000 0.478 845 N N -0.369 118.392 118.700 0.102 0.000 2.354 845 N HA 0.258 5.000 4.740 0.004 0.000 0.246 845 N C -1.981 173.600 175.510 0.118 0.000 1.285 845 N CA -1.119 51.985 53.050 0.090 0.000 0.925 845 N CB 0.603 39.127 38.487 0.063 0.000 1.174 845 N HN -0.022 nan 8.380 nan 0.000 0.478 846 P HA -0.071 nan 4.420 nan 0.000 0.214 846 P C 0.216 177.553 177.300 0.061 0.000 1.162 846 P CA 1.302 64.471 63.100 0.116 0.000 0.879 846 P CB 0.159 31.960 31.700 0.168 0.000 0.786 847 D N -0.721 119.712 120.400 0.056 0.000 2.133 847 D HA -0.204 4.438 4.640 0.004 0.000 0.192 847 D C 1.925 178.242 176.300 0.028 0.000 1.001 847 D CA 1.157 55.176 54.000 0.032 0.000 0.844 847 D CB -0.386 40.434 40.800 0.034 0.000 0.944 847 D HN 0.239 nan 8.370 nan 0.000 0.447 848 E N 0.460 120.711 120.200 0.086 0.000 2.169 848 E HA -0.310 4.042 4.350 0.004 0.000 0.202 848 E C 2.166 178.855 176.600 0.150 0.000 1.016 848 E CA 1.284 57.793 56.400 0.181 0.000 0.817 848 E CB -0.415 29.452 29.700 0.278 0.000 0.736 848 E HN 0.386 nan 8.360 nan 0.000 0.462 849 A N 0.853 123.627 122.820 -0.077 0.000 1.902 849 A HA -0.127 4.195 4.320 0.004 0.000 0.217 849 A C 2.227 179.521 177.584 -0.482 0.000 1.181 849 A CA 1.230 52.893 52.037 -0.623 0.000 0.623 849 A CB -0.348 18.420 19.000 -0.386 0.000 0.818 849 A HN 0.145 nan 8.150 nan 0.000 0.443 850 L N -1.145 119.946 121.223 -0.220 0.000 2.307 850 L HA 0.166 4.508 4.340 0.004 0.000 0.211 850 L C 2.110 178.896 176.870 -0.139 0.000 1.099 850 L CA 0.718 55.460 54.840 -0.163 0.000 0.816 850 L CB -0.313 41.699 42.059 -0.080 0.000 0.952 850 L HN 0.287 nan 8.230 nan 0.000 0.455 851 L N -0.939 120.216 121.223 -0.114 0.000 2.275 851 L HA -0.111 4.231 4.340 0.004 0.000 0.215 851 L C 2.504 179.268 176.870 -0.176 0.000 1.119 851 L CA 1.026 55.773 54.840 -0.155 0.000 0.790 851 L CB -0.596 41.397 42.059 -0.111 0.000 0.919 851 L HN 0.243 nan 8.230 nan 0.000 0.443 852 A N -0.808 121.968 122.820 -0.073 0.000 2.016 852 A HA -0.054 4.268 4.320 0.004 0.000 0.217 852 A C 2.272 179.822 177.584 -0.058 0.000 1.162 852 A CA 1.079 53.127 52.037 0.019 0.000 0.662 852 A CB -0.465 18.644 19.000 0.182 0.000 0.812 852 A HN 0.169 nan 8.150 nan 0.000 0.450 853 V N -0.115 119.714 119.914 -0.142 0.000 2.358 853 V HA -0.193 3.929 4.120 0.004 0.000 0.246 853 V C 2.995 179.046 176.094 -0.072 0.000 1.047 853 V CA 1.749 63.972 62.300 -0.127 0.000 1.035 853 V CB -1.140 30.593 31.823 -0.152 0.000 0.658 853 V HN 0.563 nan 8.190 nan 0.000 0.452 854 A N -1.226 121.544 122.820 -0.085 0.000 2.019 854 A HA -0.228 4.094 4.320 0.004 0.000 0.219 854 A C 1.945 179.562 177.584 0.056 0.000 1.164 854 A CA 1.652 53.657 52.037 -0.054 0.000 0.644 854 A CB -0.800 18.128 19.000 -0.121 0.000 0.805 854 A HN 0.747 nan 8.150 nan 0.000 0.449 855 H N -2.069 116.991 119.070 -0.018 0.000 2.539 855 H HA 0.283 4.841 4.556 0.004 0.000 0.269 855 H C 1.493 176.811 175.328 -0.016 0.000 0.980 855 H CA 0.047 56.090 56.048 -0.008 0.000 1.152 855 H CB 0.327 30.094 29.762 0.008 0.000 1.407 855 H HN 0.646 nan 8.280 nan 0.000 0.564 856 G N 0.932 109.779 108.800 0.079 0.000 2.141 856 G HA2 -0.231 3.731 3.960 0.004 0.000 0.231 856 G HA3 -0.231 3.731 3.960 0.004 0.000 0.231 856 G C 0.911 175.809 174.900 -0.003 0.000 0.984 856 G CA 0.383 45.497 45.100 0.022 0.000 0.660 856 G HN 0.264 nan 8.290 nan 0.000 0.525 857 I N 0.167 120.731 120.570 -0.010 0.000 2.333 857 I HA 0.111 4.283 4.170 0.004 0.000 0.246 857 I C 1.470 177.469 176.117 -0.195 0.000 1.106 857 I CA 2.001 63.261 61.300 -0.066 0.000 1.411 857 I CB -0.809 37.180 38.000 -0.019 0.000 1.082 857 I HN 0.525 nan 8.210 nan 0.000 0.420 858 V N -1.592 118.205 119.914 -0.195 0.000 2.686 858 V HA 0.524 4.646 4.120 0.004 0.000 0.306 858 V C -0.616 175.389 176.094 -0.149 0.000 1.065 858 V CA -1.175 60.985 62.300 -0.234 0.000 0.894 858 V CB 2.344 33.968 31.823 -0.331 0.000 1.004 858 V HN -0.078 nan 8.190 nan 0.000 0.424 859 D N 2.128 122.465 120.400 -0.105 0.000 2.368 859 D HA 0.322 4.964 4.640 0.004 0.000 0.240 859 D C 1.107 177.347 176.300 -0.099 0.000 1.169 859 D CA 0.037 53.987 54.000 -0.083 0.000 0.906 859 D CB 1.945 42.717 40.800 -0.045 0.000 1.187 859 D HN 0.632 nan 8.370 nan 0.000 0.435 860 L N 1.158 122.316 121.223 -0.109 0.000 2.291 860 L HA -0.180 4.163 4.340 0.004 0.000 0.214 860 L C 1.752 178.577 176.870 -0.076 0.000 1.120 860 L CA 1.038 55.808 54.840 -0.116 0.000 0.799 860 L CB -0.048 41.915 42.059 -0.160 0.000 0.925 860 L HN 0.281 nan 8.230 nan 0.000 0.446 861 Q N -1.133 118.640 119.800 -0.044 0.000 2.403 861 Q HA 0.080 4.422 4.340 0.004 0.000 0.203 861 Q C -0.163 175.844 176.000 0.012 0.000 0.932 861 Q CA 0.241 56.053 55.803 0.015 0.000 0.945 861 Q CB -0.068 28.752 28.738 0.137 0.000 1.045 861 Q HN 0.240 nan 8.270 nan 0.000 0.511 862 D N 0.302 120.697 120.400 -0.008 0.000 2.329 862 D HA 0.177 4.819 4.640 0.004 0.000 0.246 862 D C -0.391 175.918 176.300 0.016 0.000 1.111 862 D CA -0.541 53.467 54.000 0.013 0.000 0.941 862 D CB 1.377 42.185 40.800 0.014 0.000 1.169 862 D HN -0.028 nan 8.370 nan 0.000 0.441 863 V N -0.145 119.799 119.914 0.051 0.000 2.368 863 V HA 0.588 4.710 4.120 0.004 0.000 0.266 863 V C 0.108 176.270 176.094 0.112 0.000 1.045 863 V CA -0.523 61.811 62.300 0.057 0.000 0.899 863 V CB 0.529 32.382 31.823 0.049 0.000 1.006 863 V HN 0.232 nan 8.190 nan 0.000 0.470 864 V N 2.695 122.669 119.914 0.101 0.000 3.141 864 V HA 0.754 4.876 4.120 0.004 0.000 0.312 864 V C 0.323 176.497 176.094 0.133 0.000 1.157 864 V CA -0.291 62.115 62.300 0.177 0.000 1.041 864 V CB 2.266 34.216 31.823 0.213 0.000 1.071 864 V HN 0.973 nan 8.190 nan 0.000 0.441 865 T N -0.556 114.109 114.554 0.185 0.000 2.795 865 T HA 0.827 5.179 4.350 0.004 0.000 0.282 865 T C -0.733 174.078 174.700 0.185 0.000 0.980 865 T CA -0.550 61.635 62.100 0.141 0.000 1.012 865 T CB 1.312 70.247 68.868 0.112 0.000 0.936 865 T HN 0.618 nan 8.240 nan 0.000 0.457 866 V N 2.728 122.713 119.914 0.118 0.000 2.925 866 V HA 0.539 4.661 4.120 0.004 0.000 0.311 866 V C -0.015 176.141 176.094 0.103 0.000 1.104 866 V CA -1.213 61.167 62.300 0.134 0.000 0.954 866 V CB 2.278 34.143 31.823 0.070 0.000 1.022 866 V HN 0.922 nan 8.190 nan 0.000 0.427 867 R N 2.204 122.778 120.500 0.124 0.000 2.205 867 R HA 0.393 4.736 4.340 0.004 0.000 0.342 867 R C -1.014 175.378 176.300 0.154 0.000 1.058 867 R CA -0.096 56.068 56.100 0.106 0.000 0.904 867 R CB 0.367 30.714 30.300 0.079 0.000 1.089 867 R HN 0.804 nan 8.270 nan 0.000 0.471 868 Y N 2.420 122.682 120.300 -0.064 0.000 2.486 868 Y HA -0.016 4.536 4.550 0.003 0.000 0.356 868 Y C 1.721 177.557 175.900 -0.107 0.000 1.330 868 Y CA -1.113 56.921 58.100 -0.110 0.000 1.557 868 Y CB 0.712 39.050 38.460 -0.203 0.000 1.647 868 Y HN 0.389 nan 8.280 nan 0.000 0.585 869 M N 0.204 119.488 119.600 -0.526 0.000 2.146 869 M HA -0.177 4.305 4.480 0.004 0.000 0.256 869 M C 1.267 177.458 176.300 -0.180 0.000 1.075 869 M CA 2.104 57.156 55.300 -0.414 0.000 1.082 869 M CB -1.673 30.595 32.600 -0.554 0.000 1.355 869 M HN 0.827 nan 8.290 nan 0.000 0.402 870 G N -1.079 107.652 108.800 -0.115 0.000 3.941 870 G HA2 0.201 4.163 3.960 0.004 0.000 0.222 870 G HA3 0.201 4.163 3.960 0.004 0.000 0.222 870 G C 0.062 174.953 174.900 -0.015 0.000 1.118 870 G CA -0.363 44.707 45.100 -0.050 0.000 0.880 870 G HN 0.292 nan 8.290 nan 0.000 0.546 871 K N 0.744 121.140 120.400 -0.007 0.000 2.426 871 K HA 0.510 4.832 4.320 0.004 0.000 0.251 871 K C -0.339 176.279 176.600 0.030 0.000 0.941 871 K CA -0.830 55.464 56.287 0.012 0.000 0.808 871 K CB 1.798 34.298 32.500 -0.001 0.000 1.265 871 K HN 0.019 nan 8.250 nan 0.000 0.432 872 R N 3.580 124.100 120.500 0.032 0.000 2.325 872 R HA 0.221 4.563 4.340 0.004 0.000 0.323 872 R C -0.574 175.747 176.300 0.036 0.000 1.177 872 R CA -0.212 55.913 56.100 0.041 0.000 1.018 872 R CB -0.467 29.858 30.300 0.042 0.000 1.070 872 R HN 0.285 nan 8.270 nan 0.000 0.495 873 L N 3.074 124.313 121.223 0.026 0.000 2.282 873 L HA 0.250 4.592 4.340 0.004 0.000 0.288 873 L C 0.506 177.386 176.870 0.017 0.000 1.033 873 L CA -0.506 54.337 54.840 0.004 0.000 0.807 873 L CB 1.368 43.393 42.059 -0.057 0.000 1.209 873 L HN 0.413 nan 8.230 nan 0.000 0.423 874 E N 3.481 123.698 120.200 0.027 0.000 1.861 874 E HA 0.264 4.616 4.350 0.004 0.000 0.263 874 E C -0.769 175.843 176.600 0.021 0.000 1.137 874 E CA -0.176 56.246 56.400 0.037 0.000 0.944 874 E CB 0.294 30.022 29.700 0.047 0.000 1.092 874 E HN 0.499 nan 8.360 nan 0.000 0.420 875 T N 0.676 115.233 114.554 0.006 0.000 2.956 875 T HA 0.180 4.532 4.350 0.004 0.000 0.312 875 T C -0.010 174.675 174.700 -0.025 0.000 1.151 875 T CA -0.934 61.157 62.100 -0.015 0.000 1.024 875 T CB 1.698 70.541 68.868 -0.041 0.000 1.140 875 T HN 0.440 nan 8.240 nan 0.000 0.473 876 S N 2.489 118.172 115.700 -0.028 0.000 2.560 876 S HA 0.109 4.582 4.470 0.004 0.000 0.276 876 S C -1.800 172.760 174.600 -0.066 0.000 1.350 876 S CA -0.490 57.686 58.200 -0.041 0.000 1.024 876 S CB 0.276 63.453 63.200 -0.039 0.000 0.864 876 S HN 0.381 nan 8.310 nan 0.000 0.536 877 P HA 0.053 nan 4.420 nan 0.000 0.216 877 P C 1.773 179.036 177.300 -0.061 0.000 1.153 877 P CA 1.542 64.569 63.100 -0.122 0.000 0.848 877 P CB -0.467 31.125 31.700 -0.179 0.000 0.787 878 G N 0.248 109.020 108.800 -0.048 0.000 2.440 878 G HA2 -0.246 3.716 3.960 0.004 0.000 0.218 878 G HA3 -0.246 3.716 3.960 0.004 0.000 0.218 878 G C 1.637 176.579 174.900 0.071 0.000 1.154 878 G CA 0.528 45.628 45.100 0.000 0.000 0.767 878 G HN 0.160 nan 8.290 nan 0.000 0.552 879 R N 0.068 120.585 120.500 0.028 0.000 2.115 879 R HA 0.041 4.383 4.340 0.004 0.000 0.230 879 R C 2.407 178.761 176.300 0.090 0.000 1.111 879 R CA 0.521 56.659 56.100 0.063 0.000 0.976 879 R CB -0.477 29.825 30.300 0.003 0.000 0.870 879 R HN 0.353 nan 8.270 nan 0.000 0.445 880 I N 1.209 121.783 120.570 0.005 0.000 2.353 880 I HA -0.180 3.992 4.170 0.004 0.000 0.248 880 I C 2.370 178.490 176.117 0.004 0.000 1.119 880 I CA 0.696 61.959 61.300 -0.061 0.000 1.417 880 I CB -1.143 36.792 38.000 -0.108 0.000 1.078 880 I HN 0.089 nan 8.210 nan 0.000 0.421 881 L N 0.911 122.176 121.223 0.070 0.000 2.027 881 L HA -0.145 4.197 4.340 0.004 0.000 0.206 881 L C 2.550 179.518 176.870 0.163 0.000 1.074 881 L CA 1.739 56.655 54.840 0.126 0.000 0.745 881 L CB -1.601 40.572 42.059 0.191 0.000 0.898 881 L HN 0.110 nan 8.230 nan 0.000 0.433 882 F N 1.419 121.415 119.950 0.077 0.000 2.120 882 F HA -0.214 4.315 4.527 0.004 0.000 0.300 882 F C 2.310 178.116 175.800 0.012 0.000 1.095 882 F CA 1.822 59.853 58.000 0.053 0.000 1.249 882 F CB -0.857 38.180 39.000 0.062 0.000 0.995 882 F HN 0.234 nan 8.300 nan 0.000 0.480 883 A N 0.990 123.773 122.820 -0.062 0.000 1.917 883 A HA -0.239 4.083 4.320 0.004 0.000 0.219 883 A C 2.407 179.892 177.584 -0.166 0.000 1.182 883 A CA 2.020 53.962 52.037 -0.159 0.000 0.633 883 A CB -0.787 18.171 19.000 -0.070 0.000 0.819 883 A HN 0.517 nan 8.150 nan 0.000 0.448 884 R N -0.705 119.741 120.500 -0.090 0.000 2.062 884 R HA -0.028 4.315 4.340 0.004 0.000 0.231 884 R C 2.129 178.338 176.300 -0.152 0.000 1.136 884 R CA 1.479 57.543 56.100 -0.060 0.000 0.948 884 R CB -0.600 29.701 30.300 0.001 0.000 0.845 884 R HN 0.592 nan 8.270 nan 0.000 0.430 885 I N 0.770 121.202 120.570 -0.232 0.000 2.113 885 I HA -0.345 3.828 4.170 0.004 0.000 0.242 885 I C 2.399 178.295 176.117 -0.368 0.000 1.064 885 I CA 1.626 62.683 61.300 -0.405 0.000 1.320 885 I CB -0.550 37.149 38.000 -0.501 0.000 1.028 885 I HN -0.006 nan 8.210 nan 0.000 0.406 886 V N 1.029 120.689 119.914 -0.424 0.000 2.307 886 V HA -0.264 3.859 4.120 0.004 0.000 0.245 886 V C 2.744 178.722 176.094 -0.193 0.000 1.045 886 V CA 1.924 64.015 62.300 -0.349 0.000 1.024 886 V CB -1.230 30.285 31.823 -0.513 0.000 0.651 886 V HN 0.520 nan 8.190 nan 0.000 0.449 887 A N -0.921 121.806 122.820 -0.154 0.000 2.024 887 A HA -0.256 4.066 4.320 0.004 0.000 0.220 887 A C 2.286 179.839 177.584 -0.052 0.000 1.164 887 A CA 2.024 54.028 52.037 -0.055 0.000 0.643 887 A CB -0.396 18.604 19.000 0.001 0.000 0.806 887 A HN 0.618 nan 8.150 nan 0.000 0.451 888 E N -0.671 119.479 120.200 -0.084 0.000 2.042 888 E HA 0.027 4.380 4.350 0.004 0.000 0.189 888 E C 2.421 178.985 176.600 -0.061 0.000 0.974 888 E CA 0.654 57.017 56.400 -0.061 0.000 0.806 888 E CB -0.196 29.462 29.700 -0.070 0.000 0.769 888 E HN 0.522 nan 8.360 nan 0.000 0.451 889 A N 1.180 123.940 122.820 -0.100 0.000 1.915 889 A HA -0.185 4.137 4.320 0.004 0.000 0.220 889 A C 1.434 178.994 177.584 -0.039 0.000 1.198 889 A CA 1.880 53.874 52.037 -0.073 0.000 0.647 889 A CB -0.640 18.300 19.000 -0.101 0.000 0.825 889 A HN 0.202 nan 8.150 nan 0.000 0.456 890 V N -3.059 116.830 119.914 -0.043 0.000 2.325 890 V HA 0.588 4.711 4.120 0.004 0.000 0.280 890 V C 0.372 176.456 176.094 -0.018 0.000 1.016 890 V CA 0.025 62.311 62.300 -0.023 0.000 0.818 890 V CB 1.140 32.951 31.823 -0.019 0.000 1.019 890 V HN 0.360 nan 8.190 nan 0.000 0.434 891 E N 2.664 122.857 120.200 -0.011 0.000 2.339 891 E HA -0.240 4.112 4.350 0.004 0.000 0.201 891 E C 1.100 177.700 176.600 0.000 0.000 1.015 891 E CA 1.513 57.910 56.400 -0.006 0.000 0.841 891 E CB -0.004 29.694 29.700 -0.004 0.000 0.754 891 E HN 0.913 nan 8.360 nan 0.000 0.508 892 D N 0.490 120.891 120.400 0.002 0.000 2.545 892 D HA -0.035 4.607 4.640 0.004 0.000 0.227 892 D C 0.608 176.926 176.300 0.030 0.000 1.150 892 D CA 0.129 54.136 54.000 0.012 0.000 1.046 892 D CB -0.110 40.694 40.800 0.008 0.000 1.098 892 D HN 0.289 nan 8.370 nan 0.000 0.502 893 E N 1.741 121.961 120.200 0.033 0.000 2.086 893 E HA -0.255 4.097 4.350 0.004 0.000 0.200 893 E C 1.446 178.122 176.600 0.127 0.000 1.012 893 E CA 1.294 57.731 56.400 0.063 0.000 0.812 893 E CB 0.365 30.088 29.700 0.038 0.000 0.743 893 E HN 0.445 nan 8.360 nan 0.000 0.453 894 K N -0.090 120.380 120.400 0.118 0.000 2.057 894 K HA -0.114 4.208 4.320 0.004 0.000 0.207 894 K C 2.122 178.835 176.600 0.188 0.000 1.049 894 K CA 1.177 57.587 56.287 0.206 0.000 0.931 894 K CB -0.108 32.476 32.500 0.139 0.000 0.714 894 K HN 0.062 nan 8.250 nan 0.000 0.440 895 V N 1.446 121.414 119.914 0.091 0.000 2.759 895 V HA -0.195 3.927 4.120 0.004 0.000 0.256 895 V C 2.234 178.352 176.094 0.040 0.000 1.080 895 V CA 1.700 64.024 62.300 0.040 0.000 1.101 895 V CB -0.449 31.383 31.823 0.014 0.000 0.698 895 V HN 0.336 nan 8.190 nan 0.000 0.477 896 A N 0.242 123.111 122.820 0.081 0.000 1.897 896 A HA -0.200 4.122 4.320 0.004 0.000 0.215 896 A C 2.128 179.793 177.584 0.134 0.000 1.181 896 A CA 1.492 53.570 52.037 0.069 0.000 0.620 896 A CB -0.623 18.407 19.000 0.050 0.000 0.821 896 A HN 0.829 nan 8.150 nan 0.000 0.443 897 W N 0.857 122.179 121.300 0.036 0.000 2.678 897 W HA 0.035 4.697 4.660 0.004 0.000 0.256 897 W C 1.128 177.682 176.519 0.058 0.000 1.280 897 W CA 1.176 58.559 57.345 0.063 0.000 1.345 897 W CB -0.180 29.360 29.460 0.133 0.000 1.118 897 W HN 0.452 nan 8.180 nan 0.000 0.629 898 E N 1.980 121.990 120.200 -0.317 0.000 2.150 898 E HA -0.199 4.153 4.350 0.004 0.000 0.193 898 E C 1.951 178.384 176.600 -0.279 0.000 0.985 898 E CA 2.003 58.127 56.400 -0.460 0.000 0.814 898 E CB -0.338 29.223 29.700 -0.231 0.000 0.752 898 E HN 0.357 nan 8.360 nan 0.000 0.466 899 L N -0.659 120.487 121.223 -0.128 0.000 2.667 899 L HA 0.377 4.719 4.340 0.004 0.000 0.232 899 L C 0.312 177.187 176.870 0.009 0.000 1.138 899 L CA -0.300 54.506 54.840 -0.056 0.000 0.921 899 L CB -0.325 41.721 42.059 -0.022 0.000 1.180 899 L HN 0.010 nan 8.230 nan 0.000 0.487 900 I N -1.316 119.268 120.570 0.024 0.000 2.646 900 I HA 0.597 4.769 4.170 0.004 0.000 0.299 900 I C -0.768 175.432 176.117 0.138 0.000 1.036 900 I CA -0.848 60.543 61.300 0.151 0.000 1.074 900 I CB 2.005 40.157 38.000 0.254 0.000 1.258 900 I HN 0.222 nan 8.210 nan 0.000 0.430 901 Q N 6.555 126.454 119.800 0.165 0.000 2.425 901 Q HA 0.416 4.758 4.340 0.004 0.000 0.254 901 Q C -0.325 175.755 176.000 0.132 0.000 1.032 901 Q CA -0.728 55.144 55.803 0.114 0.000 0.798 901 Q CB 1.599 30.369 28.738 0.053 0.000 1.210 901 Q HN 0.952 nan 8.270 nan 0.000 0.491 902 L N -1.275 120.053 121.223 0.175 0.000 2.685 902 L HA 0.387 4.730 4.340 0.004 0.000 0.233 902 L C -0.379 176.526 176.870 0.058 0.000 1.173 902 L CA -0.254 54.666 54.840 0.134 0.000 0.961 902 L CB 0.059 42.224 42.059 0.177 0.000 1.217 902 L HN 0.273 nan 8.230 nan 0.000 0.478 903 D N 0.922 121.349 120.400 0.046 0.000 2.368 903 D HA 0.223 4.865 4.640 0.004 0.000 0.218 903 D C 0.305 176.592 176.300 -0.021 0.000 1.112 903 D CA 0.481 54.494 54.000 0.022 0.000 0.834 903 D CB 0.982 41.808 40.800 0.043 0.000 0.953 903 D HN 0.344 nan 8.370 nan 0.000 0.505 904 V N -3.905 115.973 119.914 -0.059 0.000 3.242 904 V HA 0.538 4.660 4.120 0.004 0.000 0.298 904 V C -3.046 172.932 176.094 -0.193 0.000 1.352 904 V CA -2.484 59.754 62.300 -0.103 0.000 1.052 904 V CB 1.800 33.581 31.823 -0.069 0.000 1.101 904 V HN -0.358 nan 8.190 nan 0.000 0.446 905 P HA 0.261 nan 4.420 nan 0.000 0.271 905 P C -0.909 176.153 177.300 -0.396 0.000 1.216 905 P CA 0.060 62.859 63.100 -0.502 0.000 0.771 905 P CB 0.284 31.460 31.700 -0.874 0.000 0.864 906 Q N 2.592 122.156 119.800 -0.393 0.000 2.300 906 Q HA 0.086 4.428 4.340 0.004 0.000 0.262 906 Q C 0.330 176.337 176.000 0.012 0.000 1.109 906 Q CA 0.567 56.223 55.803 -0.244 0.000 0.905 906 Q CB 0.475 28.960 28.738 -0.422 0.000 1.280 906 Q HN 0.485 nan 8.270 nan 0.000 0.426 907 E N 1.900 122.141 120.200 0.068 0.000 2.292 907 E HA 0.063 4.416 4.350 0.004 0.000 0.258 907 E C 0.576 177.232 176.600 0.093 0.000 1.115 907 E CA -0.395 56.103 56.400 0.165 0.000 0.929 907 E CB 1.060 30.846 29.700 0.143 0.000 1.161 907 E HN 0.422 nan 8.360 nan 0.000 0.453 908 K N 0.770 121.217 120.400 0.079 0.000 2.152 908 K HA -0.166 4.156 4.320 0.004 0.000 0.206 908 K C 1.293 177.924 176.600 0.052 0.000 1.048 908 K CA 1.545 57.866 56.287 0.056 0.000 0.933 908 K CB 0.103 32.627 32.500 0.040 0.000 0.721 908 K HN 0.306 nan 8.250 nan 0.000 0.447 909 N N -0.061 118.671 118.700 0.053 0.000 2.207 909 N HA -0.070 4.673 4.740 0.004 0.000 0.182 909 N C 1.737 177.281 175.510 0.056 0.000 1.020 909 N CA 1.210 54.290 53.050 0.049 0.000 0.858 909 N CB -0.374 38.140 38.487 0.046 0.000 0.991 909 N HN 0.049 nan 8.380 nan 0.000 0.427 910 S N 1.673 117.403 115.700 0.049 0.000 2.383 910 S HA -0.020 4.452 4.470 0.004 0.000 0.229 910 S C 2.151 176.795 174.600 0.074 0.000 1.030 910 S CA 0.815 59.042 58.200 0.045 0.000 1.002 910 S CB -0.326 62.874 63.200 -0.000 0.000 0.829 910 S HN 0.237 nan 8.310 nan 0.000 0.467 911 L N 1.185 122.451 121.223 0.072 0.000 2.044 911 L HA -0.055 4.287 4.340 0.004 0.000 0.205 911 L C 2.552 179.485 176.870 0.106 0.000 1.075 911 L CA 1.239 56.142 54.840 0.105 0.000 0.747 911 L CB -0.554 41.560 42.059 0.091 0.000 0.903 911 L HN 0.243 nan 8.230 nan 0.000 0.435 912 K N 0.641 121.090 120.400 0.081 0.000 2.089 912 K HA -0.265 4.057 4.320 0.004 0.000 0.210 912 K C 1.595 178.266 176.600 0.119 0.000 1.048 912 K CA 2.330 58.661 56.287 0.074 0.000 0.926 912 K CB -0.080 32.445 32.500 0.042 0.000 0.714 912 K HN 0.218 nan 8.250 nan 0.000 0.448 913 D N 0.465 120.942 120.400 0.128 0.000 2.117 913 D HA -0.140 4.502 4.640 0.004 0.000 0.197 913 D C 1.855 178.269 176.300 0.190 0.000 0.987 913 D CA 0.879 54.986 54.000 0.177 0.000 0.829 913 D CB 0.020 40.900 40.800 0.133 0.000 0.961 913 D HN 0.164 nan 8.370 nan 0.000 0.460 914 L N -0.012 121.306 121.223 0.159 0.000 2.027 914 L HA -0.160 4.182 4.340 0.004 0.000 0.206 914 L C 2.195 179.154 176.870 0.147 0.000 1.074 914 L CA 0.735 55.666 54.840 0.152 0.000 0.745 914 L CB -0.088 42.084 42.059 0.188 0.000 0.898 914 L HN -0.007 nan 8.230 nan 0.000 0.433 915 V N -1.147 118.859 119.914 0.153 0.000 2.255 915 V HA -0.370 3.752 4.120 0.004 0.000 0.247 915 V C 2.186 178.413 176.094 0.222 0.000 1.051 915 V CA 2.076 64.464 62.300 0.145 0.000 1.018 915 V CB -1.020 30.866 31.823 0.105 0.000 0.641 915 V HN 0.432 nan 8.190 nan 0.000 0.445 916 Y N 1.141 121.504 120.300 0.104 0.000 2.081 916 Y HA -0.344 4.208 4.550 0.003 0.000 0.280 916 Y C 2.738 178.755 175.900 0.195 0.000 1.163 916 Y CA 2.261 60.459 58.100 0.163 0.000 1.135 916 Y CB -0.840 37.693 38.460 0.122 0.000 0.970 916 Y HN 0.285 nan 8.280 nan 0.000 0.498 917 Q N -0.051 119.777 119.800 0.046 0.000 2.014 917 Q HA -0.223 4.119 4.340 0.004 0.000 0.207 917 Q C 2.463 178.443 176.000 -0.033 0.000 0.993 917 Q CA 2.567 58.328 55.803 -0.070 0.000 0.850 917 Q CB -0.776 27.968 28.738 0.010 0.000 0.916 917 Q HN 0.554 nan 8.270 nan 0.000 0.417 918 A N -0.202 122.648 122.820 0.049 0.000 1.948 918 A HA -0.226 4.096 4.320 0.004 0.000 0.220 918 A C 1.949 179.595 177.584 0.102 0.000 1.177 918 A CA 1.653 53.726 52.037 0.060 0.000 0.636 918 A CB -1.103 17.944 19.000 0.078 0.000 0.815 918 A HN 0.603 nan 8.150 nan 0.000 0.449 919 F N 0.473 120.401 119.950 -0.036 0.000 2.046 919 F HA -0.162 4.367 4.527 0.003 0.000 0.297 919 F C 1.917 177.672 175.800 -0.075 0.000 1.123 919 F CA 1.853 59.833 58.000 -0.034 0.000 1.199 919 F CB -0.880 38.134 39.000 0.024 0.000 0.972 919 F HN 0.150 nan 8.300 nan 0.000 0.474 920 L N 0.007 121.043 121.223 -0.312 0.000 2.017 920 L HA -0.209 4.133 4.340 0.004 0.000 0.208 920 L C 2.786 179.499 176.870 -0.261 0.000 1.073 920 L CA 1.298 55.879 54.840 -0.431 0.000 0.745 920 L CB -0.701 41.138 42.059 -0.366 0.000 0.894 920 L HN 0.003 nan 8.230 nan 0.000 0.432 921 R N 0.115 120.517 120.500 -0.162 0.000 2.061 921 R HA -0.042 4.301 4.340 0.004 0.000 0.230 921 R C 2.145 178.394 176.300 -0.085 0.000 1.140 921 R CA 1.504 57.541 56.100 -0.106 0.000 0.940 921 R CB -0.900 29.357 30.300 -0.072 0.000 0.839 921 R HN 0.355 nan 8.270 nan 0.000 0.429 922 L N -0.857 120.331 121.223 -0.057 0.000 2.513 922 L HA 0.264 4.606 4.340 0.004 0.000 0.222 922 L C 0.662 177.510 176.870 -0.038 0.000 1.096 922 L CA 0.315 55.133 54.840 -0.037 0.000 0.857 922 L CB 0.276 42.328 42.059 -0.012 0.000 1.026 922 L HN 0.416 nan 8.230 nan 0.000 0.469 923 G N -0.758 108.016 108.800 -0.044 0.000 2.525 923 G HA2 -0.157 3.805 3.960 0.004 0.000 0.685 923 G HA3 -0.157 3.805 3.960 0.004 0.000 0.685 923 G C -0.097 174.856 174.900 0.088 0.000 1.285 923 G CA -0.093 44.989 45.100 -0.030 0.000 0.849 923 G HN -0.091 nan 8.290 nan 0.000 0.653 924 M N 0.640 120.326 119.600 0.143 0.000 2.443 924 M HA -0.131 4.351 4.480 0.004 0.000 0.267 924 M C 2.795 179.156 176.300 0.101 0.000 1.069 924 M CA 2.865 58.312 55.300 0.245 0.000 1.085 924 M CB -0.425 32.275 32.600 0.166 0.000 1.243 924 M HN 0.881 nan 8.290 nan 0.000 0.464 925 E N -0.105 120.113 120.200 0.029 0.000 2.130 925 E HA -0.280 4.072 4.350 0.004 0.000 0.196 925 E C 1.767 178.378 176.600 0.019 0.000 0.998 925 E CA 1.284 57.691 56.400 0.011 0.000 0.806 925 E CB -0.712 28.980 29.700 -0.013 0.000 0.738 925 E HN 0.435 nan 8.360 nan 0.000 0.459 926 K N 0.696 121.110 120.400 0.022 0.000 2.147 926 K HA -0.030 4.293 4.320 0.004 0.000 0.205 926 K C 2.141 178.759 176.600 0.029 0.000 1.049 926 K CA 1.491 57.789 56.287 0.018 0.000 0.936 926 K CB -0.566 31.941 32.500 0.011 0.000 0.722 926 K HN 0.238 nan 8.250 nan 0.000 0.446 927 T N 0.806 115.394 114.554 0.057 0.000 2.777 927 T HA -0.090 4.262 4.350 0.004 0.000 0.266 927 T C 1.883 176.603 174.700 0.034 0.000 1.040 927 T CA 1.314 63.453 62.100 0.065 0.000 1.141 927 T CB -0.218 68.723 68.868 0.121 0.000 0.868 927 T HN 0.286 nan 8.240 nan 0.000 0.444 928 A N 1.817 124.651 122.820 0.025 0.000 1.917 928 A HA -0.206 4.116 4.320 0.004 0.000 0.219 928 A C 2.294 179.888 177.584 0.018 0.000 1.182 928 A CA 2.125 54.168 52.037 0.010 0.000 0.633 928 A CB -0.662 18.347 19.000 0.014 0.000 0.819 928 A HN 0.415 nan 8.150 nan 0.000 0.448 929 R N -1.038 119.473 120.500 0.019 0.000 2.083 929 R HA -0.120 4.222 4.340 0.004 0.000 0.237 929 R C 2.078 178.390 176.300 0.019 0.000 1.137 929 R CA 1.745 57.857 56.100 0.020 0.000 0.951 929 R CB -0.486 29.821 30.300 0.011 0.000 0.851 929 R HN 0.457 nan 8.270 nan 0.000 0.434 930 L N 0.648 121.876 121.223 0.009 0.000 2.079 930 L HA -0.172 4.170 4.340 0.004 0.000 0.210 930 L C 2.021 178.902 176.870 0.017 0.000 1.081 930 L CA 1.436 56.274 54.840 -0.003 0.000 0.752 930 L CB -0.210 41.849 42.059 -0.001 0.000 0.896 930 L HN 0.270 nan 8.230 nan 0.000 0.433 931 L N -0.914 120.326 121.223 0.028 0.000 1.970 931 L HA -0.280 4.062 4.340 0.004 0.000 0.212 931 L C 2.286 179.194 176.870 0.063 0.000 1.071 931 L CA 1.812 56.673 54.840 0.036 0.000 0.751 931 L CB -0.966 41.101 42.059 0.014 0.000 0.889 931 L HN 0.353 nan 8.230 nan 0.000 0.432 932 D N 0.166 120.612 120.400 0.078 0.000 2.123 932 D HA -0.205 4.437 4.640 0.004 0.000 0.196 932 D C 2.156 178.555 176.300 0.165 0.000 0.992 932 D CA 1.548 55.625 54.000 0.129 0.000 0.833 932 D CB -0.005 40.865 40.800 0.116 0.000 0.954 932 D HN 0.382 nan 8.370 nan 0.000 0.455 933 A N 1.732 124.622 122.820 0.118 0.000 1.859 933 A HA -0.200 4.122 4.320 0.004 0.000 0.217 933 A C 2.476 180.124 177.584 0.107 0.000 1.198 933 A CA 1.404 53.498 52.037 0.095 0.000 0.629 933 A CB -1.049 17.903 19.000 -0.080 0.000 0.830 933 A HN 0.204 nan 8.150 nan 0.000 0.446 934 L N -0.160 121.092 121.223 0.047 0.000 2.083 934 L HA -0.218 4.124 4.340 0.004 0.000 0.209 934 L C 2.628 179.552 176.870 0.090 0.000 1.083 934 L CA 1.859 56.743 54.840 0.074 0.000 0.752 934 L CB -0.722 41.390 42.059 0.088 0.000 0.899 934 L HN 0.580 nan 8.230 nan 0.000 0.433 935 K N 0.579 121.023 120.400 0.073 0.000 2.009 935 K HA -0.283 4.040 4.320 0.004 0.000 0.210 935 K C 2.256 178.874 176.600 0.030 0.000 1.049 935 K CA 1.915 58.177 56.287 -0.041 0.000 0.929 935 K CB -0.589 31.922 32.500 0.018 0.000 0.714 935 K HN 0.341 nan 8.250 nan 0.000 0.440 936 Y N 0.010 120.365 120.300 0.091 0.000 2.089 936 Y HA -0.321 4.231 4.550 0.004 0.000 0.282 936 Y C 2.204 178.149 175.900 0.074 0.000 1.139 936 Y CA 1.693 59.880 58.100 0.146 0.000 1.123 936 Y CB -0.180 38.405 38.460 0.209 0.000 0.980 936 Y HN 0.078 nan 8.280 nan 0.000 0.493 937 Y N -0.060 120.121 120.300 -0.198 0.000 2.293 937 Y HA -0.084 4.468 4.550 0.004 0.000 0.291 937 Y C 2.577 178.252 175.900 -0.376 0.000 1.137 937 Y CA 0.922 58.710 58.100 -0.519 0.000 1.202 937 Y CB -1.243 36.889 38.460 -0.548 0.000 0.990 937 Y HN 0.201 nan 8.280 nan 0.000 0.537 938 G N -0.843 107.980 108.800 0.038 0.000 2.418 938 G HA2 -0.233 3.729 3.960 0.004 0.000 0.217 938 G HA3 -0.233 3.729 3.960 0.004 0.000 0.217 938 G C 1.756 176.765 174.900 0.182 0.000 1.158 938 G CA 0.564 45.718 45.100 0.091 0.000 0.771 938 G HN 0.408 nan 8.290 nan 0.000 0.545 939 F N 0.886 120.858 119.950 0.037 0.000 2.084 939 F HA -0.117 4.412 4.527 0.004 0.000 0.296 939 F C 3.201 178.989 175.800 -0.021 0.000 1.111 939 F CA 1.156 59.171 58.000 0.024 0.000 1.224 939 F CB -0.188 38.847 39.000 0.058 0.000 0.991 939 F HN 0.088 nan 8.300 nan 0.000 0.471 940 T N 0.638 115.243 114.554 0.085 0.000 2.580 940 T HA -0.253 4.099 4.350 0.004 0.000 0.265 940 T C 1.731 176.504 174.700 0.123 0.000 1.063 940 T CA 1.628 63.701 62.100 -0.045 0.000 1.170 940 T CB -0.915 67.742 68.868 -0.352 0.000 0.863 940 T HN 0.197 nan 8.240 nan 0.000 0.418 941 F N 1.604 121.535 119.950 -0.030 0.000 2.192 941 F HA -0.210 4.319 4.527 0.004 0.000 0.301 941 F C 3.007 178.770 175.800 -0.062 0.000 1.079 941 F CA 0.814 58.801 58.000 -0.022 0.000 1.303 941 F CB -0.388 38.641 39.000 0.049 0.000 1.024 941 F HN 0.313 nan 8.300 nan 0.000 0.494 942 S N 0.054 115.864 115.700 0.183 0.000 2.356 942 S HA -0.231 4.241 4.470 0.004 0.000 0.223 942 S C 2.084 176.654 174.600 -0.050 0.000 1.032 942 S CA 1.733 59.965 58.200 0.054 0.000 1.005 942 S CB -1.166 62.117 63.200 0.138 0.000 0.867 942 S HN 0.504 nan 8.310 nan 0.000 0.449 943 T N 0.812 115.354 114.554 -0.021 0.000 2.708 943 T HA -0.167 4.185 4.350 0.004 0.000 0.266 943 T C 2.227 176.870 174.700 -0.094 0.000 1.037 943 T CA 2.402 64.463 62.100 -0.065 0.000 1.146 943 T CB -1.897 66.937 68.868 -0.057 0.000 0.865 943 T HN 0.712 nan 8.240 nan 0.000 0.435 944 T N 1.140 115.651 114.554 -0.072 0.000 2.777 944 T HA -0.142 4.210 4.350 0.004 0.000 0.266 944 T C 2.370 176.953 174.700 -0.196 0.000 1.040 944 T CA 1.924 63.966 62.100 -0.097 0.000 1.141 944 T CB -1.195 67.645 68.868 -0.047 0.000 0.868 944 T HN 0.649 nan 8.240 nan 0.000 0.444 945 S N 1.599 117.105 115.700 -0.323 0.000 2.420 945 S HA 0.075 4.547 4.470 0.004 0.000 0.237 945 S C 2.131 176.373 174.600 -0.597 0.000 1.023 945 S CA 1.247 59.018 58.200 -0.715 0.000 0.991 945 S CB -1.650 60.776 63.200 -1.290 0.000 0.792 945 S HN 1.721 nan 8.310 nan 0.000 0.488 946 G N 0.902 109.486 108.800 -0.360 0.000 2.225 946 G HA2 -0.247 3.715 3.960 0.004 0.000 0.267 946 G HA3 -0.247 3.715 3.960 0.004 0.000 0.267 946 G C -0.141 174.629 174.900 -0.218 0.000 1.024 946 G CA 0.174 45.136 45.100 -0.229 0.000 0.784 946 G HN 0.899 nan 8.290 nan 0.000 0.507 947 I N 0.812 121.206 120.570 -0.293 0.000 2.496 947 I HA 0.682 4.854 4.170 0.004 0.000 0.285 947 I C 0.636 176.693 176.117 -0.101 0.000 1.080 947 I CA -0.402 60.797 61.300 -0.169 0.000 1.404 947 I CB 0.922 38.829 38.000 -0.155 0.000 1.403 947 I HN 0.464 nan 8.210 nan 0.000 0.539 948 T N 3.666 118.184 114.554 -0.059 0.000 2.853 948 T HA 0.636 4.988 4.350 0.004 0.000 0.311 948 T C -0.558 174.124 174.700 -0.031 0.000 1.307 948 T CA -0.900 61.173 62.100 -0.046 0.000 1.019 948 T CB 1.302 70.143 68.868 -0.044 0.000 1.264 948 T HN 0.383 nan 8.240 nan 0.000 0.497 949 I N 1.799 122.353 120.570 -0.026 0.000 2.395 949 I HA 0.613 4.786 4.170 0.004 0.000 0.289 949 I C 1.004 177.113 176.117 -0.013 0.000 1.023 949 I CA 0.108 61.397 61.300 -0.019 0.000 1.350 949 I CB 0.743 38.735 38.000 -0.013 0.000 1.409 949 I HN 1.056 nan 8.210 nan 0.000 0.507 950 G N 5.585 114.378 108.800 -0.011 0.000 2.620 950 G HA2 0.438 4.401 3.960 0.004 0.000 0.301 950 G HA3 0.438 4.401 3.960 0.004 0.000 0.301 950 G C 0.776 175.675 174.900 -0.002 0.000 1.347 950 G CA -0.440 44.656 45.100 -0.007 0.000 0.971 950 G HN 0.407 nan 8.290 nan 0.000 0.488 951 I N 0.931 121.503 120.570 0.003 0.000 2.145 951 I HA -0.203 3.969 4.170 0.004 0.000 0.244 951 I C 2.350 178.470 176.117 0.005 0.000 1.075 951 I CA 2.423 63.729 61.300 0.010 0.000 1.332 951 I CB -0.313 37.693 38.000 0.010 0.000 1.033 951 I HN 0.794 nan 8.210 nan 0.000 0.410 952 D N 0.473 120.871 120.400 -0.004 0.000 2.144 952 D HA -0.209 4.433 4.640 0.004 0.000 0.200 952 D C 1.539 177.815 176.300 -0.039 0.000 0.978 952 D CA 1.419 55.410 54.000 -0.015 0.000 0.833 952 D CB -0.005 40.787 40.800 -0.013 0.000 0.961 952 D HN 0.277 nan 8.370 nan 0.000 0.470 953 D N 0.828 121.207 120.400 -0.035 0.000 2.133 953 D HA -0.137 4.505 4.640 0.004 0.000 0.192 953 D C 0.754 177.029 176.300 -0.042 0.000 1.001 953 D CA 1.567 55.535 54.000 -0.054 0.000 0.844 953 D CB -0.743 40.036 40.800 -0.035 0.000 0.944 953 D HN 0.359 nan 8.370 nan 0.000 0.447 954 A N 1.045 123.864 122.820 -0.002 0.000 2.500 954 A HA 0.290 4.612 4.320 0.004 0.000 0.285 954 A C -0.114 177.501 177.584 0.052 0.000 1.183 954 A CA -0.094 51.972 52.037 0.049 0.000 0.851 954 A CB -0.048 18.984 19.000 0.053 0.000 1.091 954 A HN 0.019 nan 8.150 nan 0.000 0.521 955 V N 5.546 125.521 119.914 0.101 0.000 2.370 955 V HA 0.244 4.366 4.120 0.004 0.000 0.279 955 V C 0.333 176.431 176.094 0.007 0.000 1.029 955 V CA -0.284 62.017 62.300 0.001 0.000 0.870 955 V CB 1.201 32.906 31.823 -0.197 0.000 0.984 955 V HN 0.723 nan 8.190 nan 0.000 0.451 956 I N 7.323 127.893 120.570 -0.000 0.000 2.474 956 I HA 0.295 4.468 4.170 0.004 0.000 0.287 956 I C -2.090 173.998 176.117 -0.049 0.000 1.048 956 I CA -1.596 59.694 61.300 -0.016 0.000 1.383 956 I CB 1.307 39.311 38.000 0.007 0.000 1.412 956 I HN 0.439 nan 8.210 nan 0.000 0.531 957 P HA 0.092 nan 4.420 nan 0.000 0.279 957 P C 0.179 177.432 177.300 -0.078 0.000 1.239 957 P CA -0.334 62.692 63.100 -0.122 0.000 0.789 957 P CB 0.889 32.467 31.700 -0.203 0.000 0.933 958 E N 2.616 122.784 120.200 -0.053 0.000 2.274 958 E HA -0.198 4.154 4.350 0.004 0.000 0.194 958 E C 1.237 177.833 176.600 -0.006 0.000 0.996 958 E CA 1.262 57.651 56.400 -0.018 0.000 0.840 958 E CB -0.309 29.388 29.700 -0.005 0.000 0.772 958 E HN 0.415 nan 8.360 nan 0.000 0.491 959 E N 0.900 121.074 120.200 -0.043 0.000 2.347 959 E HA -0.181 4.171 4.350 0.004 0.000 0.196 959 E C 1.767 178.356 176.600 -0.018 0.000 1.008 959 E CA 0.631 57.042 56.400 0.017 0.000 0.852 959 E CB -0.369 29.277 29.700 -0.091 0.000 0.783 959 E HN 0.320 nan 8.360 nan 0.000 0.505 960 K N 2.010 122.337 120.400 -0.121 0.000 2.015 960 K HA -0.246 4.076 4.320 0.004 0.000 0.216 960 K C 2.275 178.896 176.600 0.034 0.000 1.052 960 K CA 2.045 58.284 56.287 -0.079 0.000 0.937 960 K CB -0.142 32.326 32.500 -0.054 0.000 0.719 960 K HN 0.032 nan 8.250 nan 0.000 0.446 961 K N 0.567 120.992 120.400 0.042 0.000 2.113 961 K HA -0.252 4.070 4.320 0.004 0.000 0.208 961 K C 2.303 178.947 176.600 0.073 0.000 1.047 961 K CA 1.843 58.163 56.287 0.054 0.000 0.928 961 K CB -0.024 32.501 32.500 0.041 0.000 0.716 961 K HN 0.321 nan 8.250 nan 0.000 0.446 962 Q N -0.747 119.126 119.800 0.122 0.000 1.969 962 Q HA -0.167 4.175 4.340 0.004 0.000 0.198 962 Q C 1.840 177.903 176.000 0.105 0.000 0.978 962 Q CA 1.548 57.419 55.803 0.113 0.000 0.830 962 Q CB -0.178 28.648 28.738 0.147 0.000 0.896 962 Q HN 0.321 nan 8.270 nan 0.000 0.431 963 Y N 0.785 121.040 120.300 -0.076 0.000 2.228 963 Y HA -0.282 4.270 4.550 0.004 0.000 0.285 963 Y C 2.069 177.869 175.900 -0.167 0.000 1.178 963 Y CA 1.132 59.164 58.100 -0.115 0.000 1.202 963 Y CB -0.440 37.956 38.460 -0.108 0.000 0.974 963 Y HN 0.209 nan 8.280 nan 0.000 0.527 964 L N -0.708 120.538 121.223 0.039 0.000 2.044 964 L HA -0.194 4.148 4.340 0.004 0.000 0.205 964 L C 2.519 179.352 176.870 -0.061 0.000 1.075 964 L CA 1.602 56.406 54.840 -0.059 0.000 0.747 964 L CB -0.304 41.776 42.059 0.034 0.000 0.903 964 L HN 0.134 nan 8.230 nan 0.000 0.435 965 E N 0.612 120.804 120.200 -0.014 0.000 2.031 965 E HA -0.236 4.116 4.350 0.004 0.000 0.193 965 E C 1.894 178.462 176.600 -0.053 0.000 0.994 965 E CA 1.565 57.956 56.400 -0.015 0.000 0.800 965 E CB -0.001 29.700 29.700 0.001 0.000 0.752 965 E HN 0.385 nan 8.360 nan 0.000 0.447 966 E N -0.008 120.142 120.200 -0.084 0.000 2.065 966 E HA -0.268 4.084 4.350 0.004 0.000 0.201 966 E C 2.031 178.550 176.600 -0.135 0.000 1.016 966 E CA 1.442 57.769 56.400 -0.121 0.000 0.818 966 E CB -0.335 29.253 29.700 -0.187 0.000 0.749 966 E HN 0.387 nan 8.360 nan 0.000 0.453 967 A N 0.898 123.604 122.820 -0.190 0.000 2.014 967 A HA -0.174 4.148 4.320 0.004 0.000 0.218 967 A C 1.578 179.059 177.584 -0.173 0.000 1.163 967 A CA 1.530 53.411 52.037 -0.260 0.000 0.652 967 A CB -0.233 18.466 19.000 -0.501 0.000 0.808 967 A HN 0.100 nan 8.150 nan 0.000 0.449 968 D N -0.596 119.744 120.400 -0.099 0.000 2.084 968 D HA -0.148 4.494 4.640 0.004 0.000 0.196 968 D C 2.208 178.524 176.300 0.026 0.000 0.985 968 D CA 1.430 55.440 54.000 0.018 0.000 0.826 968 D CB -0.165 40.663 40.800 0.046 0.000 0.978 968 D HN 0.468 nan 8.370 nan 0.000 0.456 969 R N 1.018 121.517 120.500 -0.002 0.000 2.096 969 R HA -0.159 4.183 4.340 0.004 0.000 0.235 969 R C 1.949 178.250 176.300 0.002 0.000 1.127 969 R CA 1.451 57.553 56.100 0.003 0.000 0.968 969 R CB -0.120 30.172 30.300 -0.012 0.000 0.861 969 R HN 0.033 nan 8.270 nan 0.000 0.440 970 K N 0.380 120.766 120.400 -0.022 0.000 2.209 970 K HA -0.139 4.183 4.320 0.004 0.000 0.204 970 K C 2.076 178.685 176.600 0.014 0.000 1.048 970 K CA 1.031 57.305 56.287 -0.022 0.000 0.940 970 K CB -0.125 32.340 32.500 -0.059 0.000 0.729 970 K HN 0.165 nan 8.250 nan 0.000 0.451 971 L N 0.854 122.101 121.223 0.041 0.000 2.046 971 L HA -0.104 4.238 4.340 0.004 0.000 0.208 971 L C 1.843 178.766 176.870 0.087 0.000 1.077 971 L CA 1.424 56.321 54.840 0.096 0.000 0.747 971 L CB -0.574 41.584 42.059 0.165 0.000 0.896 971 L HN 0.195 nan 8.230 nan 0.000 0.432 972 L N -0.552 120.714 121.223 0.071 0.000 2.141 972 L HA -0.201 4.141 4.340 0.004 0.000 0.209 972 L C 2.521 179.429 176.870 0.064 0.000 1.094 972 L CA 1.672 56.553 54.840 0.068 0.000 0.763 972 L CB -0.559 41.533 42.059 0.054 0.000 0.908 972 L HN 0.463 nan 8.230 nan 0.000 0.437 973 Q N -0.657 119.171 119.800 0.045 0.000 2.050 973 Q HA -0.180 4.162 4.340 0.004 0.000 0.202 973 Q C 2.175 178.208 176.000 0.054 0.000 0.980 973 Q CA 2.009 57.834 55.803 0.036 0.000 0.840 973 Q CB -0.328 28.415 28.738 0.009 0.000 0.898 973 Q HN 0.541 nan 8.270 nan 0.000 0.424 974 I N 0.924 121.532 120.570 0.064 0.000 2.493 974 I HA -0.212 3.960 4.170 0.004 0.000 0.254 974 I C 2.056 178.257 176.117 0.140 0.000 1.160 974 I CA 0.774 62.127 61.300 0.088 0.000 1.445 974 I CB -0.239 37.809 38.000 0.081 0.000 1.086 974 I HN 0.113 nan 8.210 nan 0.000 0.433 975 E N 0.687 120.967 120.200 0.134 0.000 2.033 975 E HA -0.184 4.168 4.350 0.004 0.000 0.189 975 E C 2.235 178.959 176.600 0.207 0.000 0.979 975 E CA 1.059 57.565 56.400 0.177 0.000 0.802 975 E CB -0.357 29.423 29.700 0.133 0.000 0.763 975 E HN 0.430 nan 8.360 nan 0.000 0.449 976 Q N 0.782 120.666 119.800 0.140 0.000 2.135 976 Q HA -0.037 4.305 4.340 0.004 0.000 0.204 976 Q C 1.969 178.052 176.000 0.138 0.000 0.981 976 Q CA 1.651 57.525 55.803 0.120 0.000 0.856 976 Q CB -0.488 28.299 28.738 0.082 0.000 0.902 976 Q HN 0.307 nan 8.270 nan 0.000 0.425 977 A N -0.997 121.909 122.820 0.143 0.000 2.067 977 A HA -0.176 4.146 4.320 0.004 0.000 0.219 977 A C 1.768 179.495 177.584 0.239 0.000 1.158 977 A CA 1.218 53.354 52.037 0.165 0.000 0.661 977 A CB -0.515 18.537 19.000 0.086 0.000 0.801 977 A HN 0.524 nan 8.150 nan 0.000 0.452 978 Y N 0.192 120.564 120.300 0.120 0.000 2.301 978 Y HA 0.090 4.642 4.550 0.004 0.000 0.295 978 Y C 1.933 177.888 175.900 0.090 0.000 1.126 978 Y CA 1.481 59.647 58.100 0.109 0.000 1.154 978 Y CB -0.147 38.366 38.460 0.088 0.000 1.075 978 Y HN 0.365 nan 8.280 nan 0.000 0.534 979 E N -0.059 120.159 120.200 0.030 0.000 2.396 979 E HA -0.190 4.162 4.350 0.004 0.000 0.200 979 E C 1.750 178.293 176.600 -0.096 0.000 1.023 979 E CA 1.306 57.680 56.400 -0.044 0.000 0.857 979 E CB -0.125 29.627 29.700 0.086 0.000 0.775 979 E HN 0.580 nan 8.360 nan 0.000 0.525 980 M N -2.015 117.552 119.600 -0.056 0.000 2.534 980 M HA 0.142 4.624 4.480 0.004 0.000 0.263 980 M C 1.251 177.470 176.300 -0.135 0.000 1.152 980 M CA 0.801 56.076 55.300 -0.040 0.000 1.145 980 M CB 1.026 33.681 32.600 0.090 0.000 1.333 980 M HN 0.254 nan 8.290 nan 0.000 0.477 981 G N -0.799 107.895 108.800 -0.175 0.000 2.175 981 G HA2 -0.215 3.747 3.960 0.004 0.000 0.182 981 G HA3 -0.215 3.747 3.960 0.004 0.000 0.182 981 G C 0.413 175.232 174.900 -0.136 0.000 1.003 981 G CA -0.392 44.579 45.100 -0.215 0.000 0.666 981 G HN 0.290 nan 8.290 nan 0.000 0.506 982 F N 0.954 120.872 119.950 -0.054 0.000 2.074 982 F HA 0.341 4.870 4.527 0.004 0.000 0.293 982 F C 1.864 177.682 175.800 0.030 0.000 1.116 982 F CA 1.389 59.386 58.000 -0.003 0.000 1.212 982 F CB -0.119 38.889 39.000 0.013 0.000 0.998 982 F HN 0.149 nan 8.300 nan 0.000 0.471 983 L N 0.126 121.533 121.223 0.307 0.000 2.305 983 L HA 0.292 4.634 4.340 0.004 0.000 0.281 983 L C 0.532 177.558 176.870 0.259 0.000 1.085 983 L CA -0.464 54.532 54.840 0.260 0.000 0.813 983 L CB 0.611 42.831 42.059 0.269 0.000 1.157 983 L HN -0.127 nan 8.230 nan 0.000 0.436 984 T N -0.016 114.657 114.554 0.197 0.000 2.860 984 T HA -0.051 4.301 4.350 0.004 0.000 0.299 984 T C 1.179 176.019 174.700 0.235 0.000 1.045 984 T CA -0.252 61.958 62.100 0.183 0.000 1.071 984 T CB 0.626 69.565 68.868 0.118 0.000 0.985 984 T HN 0.752 nan 8.240 nan 0.000 0.537 985 D N 1.328 121.867 120.400 0.231 0.000 2.191 985 D HA -0.162 4.480 4.640 0.004 0.000 0.195 985 D C 2.063 178.412 176.300 0.082 0.000 1.003 985 D CA 1.492 55.590 54.000 0.164 0.000 0.867 985 D CB 0.085 40.947 40.800 0.103 0.000 0.926 985 D HN 0.563 nan 8.370 nan 0.000 0.450 986 R N 0.716 121.274 120.500 0.097 0.000 2.051 986 R HA -0.066 4.276 4.340 0.004 0.000 0.225 986 R C 2.246 178.633 176.300 0.145 0.000 1.155 986 R CA 1.227 57.392 56.100 0.110 0.000 0.945 986 R CB -0.101 30.252 30.300 0.088 0.000 0.840 986 R HN 0.036 nan 8.270 nan 0.000 0.432 987 E N 0.376 120.652 120.200 0.126 0.000 2.136 987 E HA -0.332 4.020 4.350 0.004 0.000 0.202 987 E C 2.079 178.751 176.600 0.120 0.000 1.019 987 E CA 1.651 58.121 56.400 0.116 0.000 0.819 987 E CB -0.246 29.526 29.700 0.120 0.000 0.739 987 E HN 0.286 nan 8.360 nan 0.000 0.458 988 R N 0.337 120.918 120.500 0.136 0.000 2.097 988 R HA -0.252 4.090 4.340 0.004 0.000 0.236 988 R C 2.295 178.662 176.300 0.111 0.000 1.135 988 R CA 1.986 58.145 56.100 0.099 0.000 0.934 988 R CB -0.717 29.573 30.300 -0.018 0.000 0.846 988 R HN 0.253 nan 8.270 nan 0.000 0.431 989 Y N 2.002 122.287 120.300 -0.025 0.000 2.049 989 Y HA -0.246 4.306 4.550 0.003 0.000 0.277 989 Y C 1.908 177.816 175.900 0.013 0.000 1.143 989 Y CA 2.352 60.440 58.100 -0.019 0.000 1.115 989 Y CB -0.807 37.633 38.460 -0.033 0.000 0.975 989 Y HN 0.264 nan 8.280 nan 0.000 0.487 990 D N -0.451 119.958 120.400 0.015 0.000 2.158 990 D HA -0.222 4.420 4.640 0.004 0.000 0.197 990 D C 2.147 178.411 176.300 -0.060 0.000 0.995 990 D CA 1.822 55.779 54.000 -0.070 0.000 0.846 990 D CB -0.209 40.609 40.800 0.030 0.000 0.941 990 D HN 0.547 nan 8.370 nan 0.000 0.456 991 Q N -0.474 119.323 119.800 -0.004 0.000 2.083 991 Q HA -0.025 4.317 4.340 0.004 0.000 0.198 991 Q C 2.299 178.309 176.000 0.017 0.000 0.969 991 Q CA 0.644 56.455 55.803 0.013 0.000 0.838 991 Q CB 0.058 28.820 28.738 0.040 0.000 0.900 991 Q HN 0.387 nan 8.270 nan 0.000 0.436 992 I N 0.867 121.447 120.570 0.016 0.000 2.179 992 I HA -0.300 3.872 4.170 0.004 0.000 0.242 992 I C 2.169 178.345 176.117 0.098 0.000 1.088 992 I CA 1.124 62.471 61.300 0.079 0.000 1.357 992 I CB -0.477 37.567 38.000 0.073 0.000 1.051 992 I HN 0.149 nan 8.210 nan 0.000 0.409 993 L N 0.042 121.220 121.223 -0.074 0.000 2.013 993 L HA -0.262 4.080 4.340 0.004 0.000 0.212 993 L C 2.701 179.595 176.870 0.039 0.000 1.073 993 L CA 1.446 56.241 54.840 -0.075 0.000 0.753 993 L CB -0.941 40.954 42.059 -0.273 0.000 0.890 993 L HN 0.274 nan 8.230 nan 0.000 0.432 994 Q N 0.639 120.444 119.800 0.008 0.000 2.124 994 Q HA -0.206 4.136 4.340 0.004 0.000 0.202 994 Q C 2.047 178.070 176.000 0.038 0.000 0.977 994 Q CA 1.557 57.372 55.803 0.020 0.000 0.850 994 Q CB -0.407 28.332 28.738 0.001 0.000 0.901 994 Q HN 0.389 nan 8.270 nan 0.000 0.429 995 L N -0.929 120.327 121.223 0.054 0.000 2.012 995 L HA -0.121 4.221 4.340 0.004 0.000 0.210 995 L C 1.668 178.496 176.870 -0.069 0.000 1.073 995 L CA 1.984 56.817 54.840 -0.011 0.000 0.748 995 L CB -0.724 41.341 42.059 0.009 0.000 0.891 995 L HN 0.358 nan 8.230 nan 0.000 0.431 996 W N -0.412 120.881 121.300 -0.011 0.000 2.443 996 W HA -0.059 4.603 4.660 0.003 0.000 0.296 996 W C 2.583 179.103 176.519 0.001 0.000 1.202 996 W CA 1.659 59.006 57.345 0.003 0.000 1.312 996 W CB -1.033 28.430 29.460 0.005 0.000 1.120 996 W HN 0.014 nan 8.180 nan 0.000 0.536 997 T N 0.458 115.135 114.554 0.205 0.000 2.721 997 T HA -0.264 4.089 4.350 0.004 0.000 0.268 997 T C 1.285 176.023 174.700 0.062 0.000 1.038 997 T CA 2.027 64.193 62.100 0.109 0.000 1.145 997 T CB -0.273 68.631 68.868 0.060 0.000 0.858 997 T HN 0.319 nan 8.240 nan 0.000 0.459 998 E N 0.046 120.266 120.200 0.032 0.000 2.060 998 E HA -0.028 4.324 4.350 0.004 0.000 0.189 998 E C 2.526 179.121 176.600 -0.007 0.000 0.974 998 E CA 0.943 57.344 56.400 0.001 0.000 0.808 998 E CB -0.283 29.403 29.700 -0.023 0.000 0.768 998 E HN 0.260 nan 8.360 nan 0.000 0.453 999 T N 0.173 114.691 114.554 -0.061 0.000 2.759 999 T HA -0.194 4.158 4.350 0.004 0.000 0.269 999 T C 2.103 176.796 174.700 -0.013 0.000 1.042 999 T CA 1.908 63.948 62.100 -0.100 0.000 1.140 999 T CB -0.349 68.285 68.868 -0.391 0.000 0.864 999 T HN 0.192 nan 8.240 nan 0.000 0.455 1000 T N 0.498 115.082 114.554 0.051 0.000 2.701 1000 T HA -0.094 4.258 4.350 0.004 0.000 0.263 1000 T C 1.887 176.605 174.700 0.031 0.000 1.040 1000 T CA 1.714 63.866 62.100 0.086 0.000 1.147 1000 T CB -0.502 68.454 68.868 0.146 0.000 0.865 1000 T HN 0.429 nan 8.240 nan 0.000 0.426 1001 E N 0.635 120.849 120.200 0.023 0.000 2.160 1001 E HA -0.179 4.173 4.350 0.004 0.000 0.195 1001 E C 2.110 178.703 176.600 -0.012 0.000 0.991 1001 E CA 1.180 57.577 56.400 -0.006 0.000 0.810 1001 E CB -0.085 29.613 29.700 -0.003 0.000 0.742 1001 E HN 0.569 nan 8.360 nan 0.000 0.466 1002 K N 0.062 120.476 120.400 0.024 0.000 2.025 1002 K HA -0.088 4.234 4.320 0.004 0.000 0.207 1002 K C 2.217 178.777 176.600 -0.067 0.000 1.049 1002 K CA 1.174 57.504 56.287 0.072 0.000 0.933 1002 K CB -0.322 32.325 32.500 0.244 0.000 0.714 1002 K HN 0.012 nan 8.250 nan 0.000 0.438 1003 V N 1.655 121.500 119.914 -0.114 0.000 2.490 1003 V HA -0.262 3.860 4.120 0.004 0.000 0.250 1003 V C 1.674 177.676 176.094 -0.152 0.000 1.061 1003 V CA 2.193 64.356 62.300 -0.229 0.000 1.064 1003 V CB -0.439 31.308 31.823 -0.126 0.000 0.670 1003 V HN 0.412 nan 8.190 nan 0.000 0.461 1004 T N -0.182 114.315 114.554 -0.095 0.000 2.569 1004 T HA -0.291 4.061 4.350 0.004 0.000 0.263 1004 T C 1.825 176.453 174.700 -0.121 0.000 1.074 1004 T CA 2.140 64.179 62.100 -0.102 0.000 1.176 1004 T CB -0.417 68.375 68.868 -0.126 0.000 0.863 1004 T HN 0.467 nan 8.240 nan 0.000 0.410 1005 Q N 0.866 120.593 119.800 -0.121 0.000 2.197 1005 Q HA -0.044 4.298 4.340 0.004 0.000 0.207 1005 Q C 2.250 178.228 176.000 -0.037 0.000 0.984 1005 Q CA 1.665 57.422 55.803 -0.077 0.000 0.869 1005 Q CB -0.786 27.925 28.738 -0.045 0.000 0.906 1005 Q HN 0.567 nan 8.270 nan 0.000 0.426 1006 A N -0.822 121.929 122.820 -0.115 0.000 1.845 1006 A HA -0.182 4.140 4.320 0.004 0.000 0.215 1006 A C 2.213 179.696 177.584 -0.169 0.000 1.195 1006 A CA 1.877 53.801 52.037 -0.188 0.000 0.616 1006 A CB -1.074 17.676 19.000 -0.416 0.000 0.832 1006 A HN 0.243 nan 8.150 nan 0.000 0.443 1007 V N -1.101 118.725 119.914 -0.146 0.000 2.282 1007 V HA -0.327 3.795 4.120 0.004 0.000 0.249 1007 V C 2.363 178.280 176.094 -0.294 0.000 1.057 1007 V CA 2.346 64.512 62.300 -0.224 0.000 1.032 1007 V CB -1.175 30.661 31.823 0.021 0.000 0.645 1007 V HN 0.569 nan 8.190 nan 0.000 0.447 1008 F N 0.401 120.258 119.950 -0.154 0.000 2.134 1008 F HA -0.196 4.333 4.527 0.003 0.000 0.299 1008 F C 2.569 178.283 175.800 -0.143 0.000 1.097 1008 F CA 1.890 59.883 58.000 -0.012 0.000 1.264 1008 F CB -0.167 38.857 39.000 0.040 0.000 1.001 1008 F HN 0.058 nan 8.300 nan 0.000 0.479 1009 K N 0.640 121.061 120.400 0.034 0.000 2.152 1009 K HA -0.253 4.069 4.320 0.004 0.000 0.206 1009 K C 1.898 178.414 176.600 -0.140 0.000 1.048 1009 K CA 1.618 57.882 56.287 -0.039 0.000 0.933 1009 K CB -0.232 32.245 32.500 -0.040 0.000 0.721 1009 K HN 0.049 nan 8.250 nan 0.000 0.447 1010 N N 0.086 118.626 118.700 -0.266 0.000 2.039 1010 N HA -0.155 4.587 4.740 0.004 0.000 0.193 1010 N C 1.436 176.784 175.510 -0.270 0.000 1.044 1010 N CA 1.673 54.529 53.050 -0.324 0.000 0.847 1010 N CB -0.321 37.905 38.487 -0.435 0.000 1.030 1010 N HN 0.147 nan 8.380 nan 0.000 0.422 1011 F N 1.713 121.594 119.950 -0.115 0.000 2.069 1011 F HA -0.064 4.465 4.527 0.004 0.000 0.298 1011 F C 2.570 178.216 175.800 -0.256 0.000 1.113 1011 F CA 1.147 59.015 58.000 -0.220 0.000 1.214 1011 F CB -1.147 37.307 39.000 -0.911 0.000 0.978 1011 F HN 0.207 nan 8.300 nan 0.000 0.474 1012 E N 0.277 120.412 120.200 -0.109 0.000 2.086 1012 E HA -0.245 4.107 4.350 0.004 0.000 0.200 1012 E C 2.072 178.664 176.600 -0.015 0.000 1.012 1012 E CA 1.858 58.245 56.400 -0.021 0.000 0.812 1012 E CB 0.012 29.714 29.700 0.004 0.000 0.743 1012 E HN 0.424 nan 8.360 nan 0.000 0.453 1013 E N -0.180 119.982 120.200 -0.065 0.000 2.057 1013 E HA -0.037 4.315 4.350 0.004 0.000 0.190 1013 E C 1.930 178.451 176.600 -0.132 0.000 0.969 1013 E CA 0.510 56.859 56.400 -0.084 0.000 0.812 1013 E CB -0.217 29.424 29.700 -0.097 0.000 0.777 1013 E HN 0.358 nan 8.360 nan 0.000 0.455 1014 N N 0.205 118.758 118.700 -0.246 0.000 2.182 1014 N HA -0.061 4.681 4.740 0.004 0.000 0.186 1014 N C 0.318 175.592 175.510 -0.394 0.000 1.036 1014 N CA 0.760 53.535 53.050 -0.457 0.000 0.850 1014 N CB -0.033 37.931 38.487 -0.871 0.000 1.010 1014 N HN 0.146 nan 8.380 nan 0.000 0.432 1015 Y N 0.564 120.917 120.300 0.088 0.000 2.960 1015 Y HA 0.401 4.953 4.550 0.004 0.000 0.343 1015 Y C -1.842 174.183 175.900 0.208 0.000 1.106 1015 Y CA -2.184 56.014 58.100 0.165 0.000 1.221 1015 Y CB 1.087 39.695 38.460 0.246 0.000 1.232 1015 Y HN 0.050 nan 8.280 nan 0.000 0.577 1016 P HA -0.163 nan 4.420 nan 0.000 0.218 1016 P C 0.097 177.430 177.300 0.055 0.000 1.148 1016 P CA 1.550 64.731 63.100 0.134 0.000 0.822 1016 P CB 0.163 31.807 31.700 -0.093 0.000 0.784 1017 F N -0.421 119.630 119.950 0.170 0.000 2.550 1017 F HA 0.208 4.737 4.527 0.003 0.000 0.312 1017 F C 0.720 176.598 175.800 0.129 0.000 1.256 1017 F CA -1.056 56.980 58.000 0.059 0.000 1.182 1017 F CB -0.026 38.934 39.000 -0.068 0.000 1.383 1017 F HN -0.175 nan 8.300 nan 0.000 0.541 1018 N N 2.377 121.305 118.700 0.380 0.000 2.422 1018 N HA 0.130 4.872 4.740 0.004 0.000 0.264 1018 N C -1.975 173.589 175.510 0.089 0.000 1.063 1018 N CA -1.642 51.531 53.050 0.205 0.000 0.959 1018 N CB 1.699 40.256 38.487 0.117 0.000 1.087 1018 N HN 0.083 nan 8.380 nan 0.000 0.483 1019 P HA -0.211 nan 4.420 nan 0.000 0.216 1019 P C 1.745 179.015 177.300 -0.050 0.000 1.167 1019 P CA 1.215 64.329 63.100 0.024 0.000 0.914 1019 P CB 0.197 31.899 31.700 0.004 0.000 0.793 1020 L N -1.805 119.361 121.223 -0.096 0.000 1.989 1020 L HA -0.244 4.099 4.340 0.004 0.000 0.211 1020 L C 2.561 179.322 176.870 -0.182 0.000 1.071 1020 L CA 1.703 56.465 54.840 -0.130 0.000 0.749 1020 L CB -1.125 40.847 42.059 -0.145 0.000 0.890 1020 L HN -0.049 nan 8.230 nan 0.000 0.431 1021 Y N -0.108 119.890 120.300 -0.504 0.000 2.081 1021 Y HA -0.325 4.228 4.550 0.004 0.000 0.280 1021 Y C 2.342 178.020 175.900 -0.370 0.000 1.163 1021 Y CA 2.253 59.978 58.100 -0.624 0.000 1.135 1021 Y CB -0.393 37.485 38.460 -0.970 0.000 0.970 1021 Y HN 0.064 nan 8.280 nan 0.000 0.498 1022 V N 1.268 120.891 119.914 -0.486 0.000 2.317 1022 V HA -0.439 3.683 4.120 0.004 0.000 0.251 1022 V C 2.504 178.335 176.094 -0.438 0.000 1.065 1022 V CA 2.443 64.433 62.300 -0.516 0.000 1.049 1022 V CB -0.741 31.016 31.823 -0.110 0.000 0.651 1022 V HN 0.644 nan 8.190 nan 0.000 0.450 1023 M N -0.445 119.008 119.600 -0.244 0.000 2.117 1023 M HA -0.166 4.316 4.480 0.004 0.000 0.262 1023 M C 2.090 178.289 176.300 -0.168 0.000 1.065 1023 M CA 2.175 57.372 55.300 -0.172 0.000 1.114 1023 M CB -0.248 32.294 32.600 -0.097 0.000 1.361 1023 M HN 0.367 nan 8.290 nan 0.000 0.408 1024 A N -0.397 122.332 122.820 -0.151 0.000 1.872 1024 A HA -0.148 4.174 4.320 0.004 0.000 0.214 1024 A C 1.984 179.516 177.584 -0.087 0.000 1.187 1024 A CA 1.145 53.143 52.037 -0.066 0.000 0.614 1024 A CB -0.603 18.411 19.000 0.025 0.000 0.826 1024 A HN 0.522 nan 8.150 nan 0.000 0.442 1025 Q N 0.945 120.620 119.800 -0.209 0.000 2.020 1025 Q HA -0.032 4.310 4.340 0.004 0.000 0.202 1025 Q C 1.064 176.897 176.000 -0.279 0.000 0.982 1025 Q CA 1.049 56.722 55.803 -0.216 0.000 0.838 1025 Q CB -0.897 27.606 28.738 -0.392 0.000 0.899 1025 Q HN 0.564 nan 8.270 nan 0.000 0.423 1026 S N 0.105 115.458 115.700 -0.577 0.000 2.573 1026 S HA 0.179 4.651 4.470 0.004 0.000 0.277 1026 S C 1.247 175.761 174.600 -0.143 0.000 1.346 1026 S CA 0.152 58.105 58.200 -0.411 0.000 1.034 1026 S CB 0.872 63.780 63.200 -0.487 0.000 0.879 1026 S HN 0.513 nan 8.310 nan 0.000 0.528 1027 G N 0.728 109.504 108.800 -0.039 0.000 2.653 1027 G HA2 0.130 4.092 3.960 0.004 0.000 0.212 1027 G HA3 0.130 4.092 3.960 0.004 0.000 0.212 1027 G C 1.039 175.928 174.900 -0.018 0.000 1.138 1027 G CA 0.497 45.591 45.100 -0.012 0.000 0.782 1027 G HN 0.797 nan 8.290 nan 0.000 0.535 1028 A N 0.400 123.194 122.820 -0.043 0.000 2.404 1028 A HA 0.224 4.546 4.320 0.004 0.000 0.189 1028 A C 1.461 179.033 177.584 -0.021 0.000 1.145 1028 A CA 0.918 52.938 52.037 -0.027 0.000 0.839 1028 A CB -0.041 18.928 19.000 -0.051 0.000 0.848 1028 A HN 0.268 nan 8.150 nan 0.000 0.545 1029 R N -1.793 118.687 120.500 -0.034 0.000 2.808 1029 R HA 0.576 4.918 4.340 0.004 0.000 0.272 1029 R C -0.371 175.913 176.300 -0.027 0.000 0.995 1029 R CA 0.331 56.417 56.100 -0.024 0.000 0.917 1029 R CB 1.226 31.515 30.300 -0.018 0.000 1.217 1029 R HN 1.818 nan 8.270 nan 0.000 0.471 1030 G N 1.505 110.296 108.800 -0.015 0.000 2.525 1030 G HA2 -0.127 3.835 3.960 0.004 0.000 0.685 1030 G HA3 -0.127 3.835 3.960 0.004 0.000 0.685 1030 G C -1.491 173.419 174.900 0.017 0.000 1.285 1030 G CA -0.785 44.314 45.100 -0.002 0.000 0.849 1030 G HN 0.611 nan 8.290 nan 0.000 0.653 1031 N N 2.246 120.962 118.700 0.027 0.000 2.310 1031 N HA 0.537 5.279 4.740 0.004 0.000 0.292 1031 N C -1.834 173.709 175.510 0.056 0.000 1.049 1031 N CA -1.755 51.315 53.050 0.032 0.000 0.849 1031 N CB 2.820 41.307 38.487 0.001 0.000 1.532 1031 N HN 0.069 nan 8.380 nan 0.000 0.479 1032 P HA -0.183 nan 4.420 nan 0.000 0.216 1032 P C 1.103 178.402 177.300 -0.003 0.000 1.157 1032 P CA 1.659 64.778 63.100 0.032 0.000 0.880 1032 P CB 0.374 32.031 31.700 -0.072 0.000 0.791 1033 Q N -0.979 118.810 119.800 -0.019 0.000 2.224 1033 Q HA -0.177 4.165 4.340 0.004 0.000 0.203 1033 Q C 2.216 178.192 176.000 -0.039 0.000 0.970 1033 Q CA 1.450 57.237 55.803 -0.027 0.000 0.865 1033 Q CB -0.389 28.335 28.738 -0.024 0.000 0.922 1033 Q HN 0.251 nan 8.270 nan 0.000 0.445 1034 Q N -0.664 119.116 119.800 -0.035 0.000 1.994 1034 Q HA -0.083 4.259 4.340 0.004 0.000 0.198 1034 Q C 1.759 177.717 176.000 -0.069 0.000 0.976 1034 Q CA 1.316 57.075 55.803 -0.073 0.000 0.828 1034 Q CB -0.006 28.701 28.738 -0.051 0.000 0.894 1034 Q HN 0.383 nan 8.270 nan 0.000 0.432 1035 I N 0.856 121.435 120.570 0.014 0.000 2.300 1035 I HA -0.325 3.847 4.170 0.004 0.000 0.252 1035 I C 2.257 178.411 176.117 0.062 0.000 1.119 1035 I CA 1.574 62.914 61.300 0.067 0.000 1.384 1035 I CB -1.063 37.056 38.000 0.199 0.000 1.062 1035 I HN 0.303 nan 8.210 nan 0.000 0.426 1036 R N 0.872 121.396 120.500 0.040 0.000 2.096 1036 R HA -0.175 4.168 4.340 0.004 0.000 0.235 1036 R C 2.155 178.438 176.300 -0.030 0.000 1.127 1036 R CA 1.251 57.365 56.100 0.024 0.000 0.968 1036 R CB -0.006 30.297 30.300 0.004 0.000 0.861 1036 R HN 0.522 nan 8.270 nan 0.000 0.440 1037 Q N -0.121 119.601 119.800 -0.130 0.000 2.369 1037 Q HA -0.079 4.264 4.340 0.004 0.000 0.206 1037 Q C 1.897 177.715 176.000 -0.303 0.000 0.963 1037 Q CA 0.853 56.489 55.803 -0.279 0.000 0.894 1037 Q CB 0.194 28.609 28.738 -0.538 0.000 0.965 1037 Q HN 0.408 nan 8.270 nan 0.000 0.475 1038 L N -1.727 119.399 121.223 -0.162 0.000 2.262 1038 L HA 0.027 4.370 4.340 0.004 0.000 0.197 1038 L C 2.178 179.088 176.870 0.066 0.000 1.073 1038 L CA 0.303 55.133 54.840 -0.018 0.000 0.800 1038 L CB -0.380 41.675 42.059 -0.006 0.000 0.987 1038 L HN 0.182 nan 8.230 nan 0.000 0.470 1039 C N -0.027 119.315 119.300 0.070 0.000 2.520 1039 C HA 0.290 4.752 4.460 0.004 0.000 0.291 1039 C C 2.269 177.296 174.990 0.062 0.000 1.364 1039 C CA 0.302 59.372 59.018 0.087 0.000 1.781 1039 C CB -0.461 27.368 27.740 0.148 0.000 2.171 1039 C HN 0.576 nan 8.230 nan 0.000 0.516 1040 G N 0.415 109.249 108.800 0.056 0.000 3.048 1040 G HA2 0.418 4.380 3.960 0.004 0.000 0.151 1040 G HA3 0.418 4.380 3.960 0.004 0.000 0.151 1040 G C -0.303 174.630 174.900 0.055 0.000 1.803 1040 G CA 0.623 45.745 45.100 0.036 0.000 1.047 1040 G HN 0.666 nan 8.290 nan 0.000 0.513 1041 L N -2.112 119.150 121.223 0.065 0.000 2.565 1041 L HA 0.587 4.929 4.340 0.004 0.000 0.261 1041 L C -0.401 176.523 176.870 0.091 0.000 0.932 1041 L CA -1.127 53.770 54.840 0.095 0.000 0.878 1041 L CB 2.194 44.332 42.059 0.132 0.000 1.333 1041 L HN 0.584 nan 8.230 nan 0.000 0.409 1042 R N 2.159 122.705 120.500 0.076 0.000 2.343 1042 R HA 0.377 4.719 4.340 0.004 0.000 0.326 1042 R C 0.375 176.729 176.300 0.090 0.000 1.055 1042 R CA 0.623 56.763 56.100 0.067 0.000 0.961 1042 R CB 1.244 31.573 30.300 0.048 0.000 0.978 1042 R HN 0.996 nan 8.270 nan 0.000 0.443 1043 G N 4.528 113.382 108.800 0.090 0.000 2.486 1043 G HA2 0.069 4.031 3.960 0.004 0.000 0.210 1043 G HA3 0.069 4.031 3.960 0.004 0.000 0.210 1043 G C 0.361 175.232 174.900 -0.047 0.000 1.168 1043 G CA -0.159 44.966 45.100 0.043 0.000 0.820 1043 G HN 0.472 nan 8.290 nan 0.000 0.544 1044 L N 1.851 123.075 121.223 0.002 0.000 2.349 1044 L HA 0.502 4.844 4.340 0.004 0.000 0.278 1044 L C -0.990 175.910 176.870 0.050 0.000 0.996 1044 L CA -0.679 54.155 54.840 -0.010 0.000 0.825 1044 L CB 2.080 44.127 42.059 -0.020 0.000 1.243 1044 L HN 0.078 nan 8.230 nan 0.000 0.412 1045 M N 4.494 124.143 119.600 0.081 0.000 2.125 1045 M HA 0.315 4.797 4.480 0.004 0.000 0.321 1045 M C -0.267 176.152 176.300 0.198 0.000 0.983 1045 M CA -0.664 54.710 55.300 0.123 0.000 0.934 1045 M CB 1.459 34.131 32.600 0.119 0.000 1.542 1045 M HN 0.515 nan 8.290 nan 0.000 0.424 1046 Q N 2.311 122.209 119.800 0.163 0.000 2.474 1046 Q HA 0.300 4.642 4.340 0.004 0.000 0.256 1046 Q C -0.438 175.679 176.000 0.196 0.000 1.048 1046 Q CA 0.106 56.002 55.803 0.156 0.000 0.922 1046 Q CB 1.134 29.924 28.738 0.087 0.000 1.288 1046 Q HN 0.516 nan 8.270 nan 0.000 0.484 1047 K N 1.048 121.498 120.400 0.084 0.000 2.136 1047 K HA 0.062 4.384 4.320 0.004 0.000 0.237 1047 K C -1.567 174.920 176.600 -0.189 0.000 1.048 1047 K CA -1.371 54.873 56.287 -0.072 0.000 0.880 1047 K CB -0.192 32.151 32.500 -0.263 0.000 1.105 1047 K HN 0.368 nan 8.250 nan 0.000 0.507 1048 P HA -0.234 nan 4.420 nan 0.000 0.214 1048 P C 1.349 178.580 177.300 -0.116 0.000 1.163 1048 P CA 1.713 64.661 63.100 -0.253 0.000 0.883 1048 P CB 0.041 31.578 31.700 -0.271 0.000 0.788 1049 S N -1.576 114.051 115.700 -0.122 0.000 2.398 1049 S HA -0.085 4.387 4.470 0.004 0.000 0.220 1049 S C 1.919 176.486 174.600 -0.055 0.000 1.038 1049 S CA 1.836 59.986 58.200 -0.083 0.000 1.080 1049 S CB -1.458 61.684 63.200 -0.096 0.000 1.039 1049 S HN 0.306 nan 8.310 nan 0.000 0.419 1050 G N 0.959 109.726 108.800 -0.054 0.000 4.142 1050 G HA2 0.044 4.006 3.960 0.004 0.000 0.200 1050 G HA3 0.044 4.006 3.960 0.004 0.000 0.200 1050 G C -0.266 174.632 174.900 -0.003 0.000 0.811 1050 G CA -0.014 45.076 45.100 -0.017 0.000 0.855 1050 G HN 0.770 nan 8.290 nan 0.000 0.455 1051 E N 2.502 122.679 120.200 -0.039 0.000 2.383 1051 E HA 0.402 4.754 4.350 0.004 0.000 0.257 1051 E C 0.054 176.661 176.600 0.011 0.000 1.079 1051 E CA 0.124 56.513 56.400 -0.018 0.000 0.934 1051 E CB 0.120 29.730 29.700 -0.150 0.000 0.978 1051 E HN 0.053 nan 8.360 nan 0.000 0.462 1052 T N 3.782 118.415 114.554 0.131 0.000 2.906 1052 T HA -0.014 4.338 4.350 0.004 0.000 0.320 1052 T C 0.052 174.832 174.700 0.134 0.000 1.088 1052 T CA -0.205 61.973 62.100 0.130 0.000 1.120 1052 T CB 0.191 69.123 68.868 0.106 0.000 1.000 1052 T HN 0.364 nan 8.240 nan 0.000 0.550 1053 F N 0.988 120.982 119.950 0.073 0.000 2.450 1053 F HA 0.132 4.661 4.527 0.003 0.000 0.339 1053 F C 1.850 177.681 175.800 0.051 0.000 1.146 1053 F CA -0.071 57.964 58.000 0.058 0.000 1.267 1053 F CB 0.694 39.713 39.000 0.032 0.000 1.178 1053 F HN 0.771 nan 8.300 nan 0.000 0.585 1054 E N 1.324 121.722 120.200 0.331 0.000 2.106 1054 E HA -0.072 4.280 4.350 0.004 0.000 0.192 1054 E C -0.083 176.579 176.600 0.103 0.000 0.984 1054 E CA 0.540 57.071 56.400 0.219 0.000 0.806 1054 E CB 0.232 30.044 29.700 0.187 0.000 0.750 1054 E HN 0.368 nan 8.360 nan 0.000 0.458 1055 V N 0.139 120.156 119.914 0.171 0.000 2.481 1055 V HA 0.472 4.594 4.120 0.004 0.000 0.286 1055 V C -2.524 173.455 176.094 -0.192 0.000 1.042 1055 V CA -2.040 60.230 62.300 -0.050 0.000 0.928 1055 V CB 1.134 32.930 31.823 -0.046 0.000 0.986 1055 V HN -0.027 nan 8.190 nan 0.000 0.462 1056 P HA 0.495 nan 4.420 nan 0.000 0.287 1056 P C -0.821 176.321 177.300 -0.263 0.000 1.296 1056 P CA -0.709 62.095 63.100 -0.493 0.000 0.811 1056 P CB 1.014 31.993 31.700 -1.201 0.000 1.211 1057 V N 2.051 121.870 119.914 -0.158 0.000 2.218 1057 V HA 0.176 4.298 4.120 0.004 0.000 0.261 1057 V C 1.509 177.616 176.094 0.022 0.000 1.142 1057 V CA -0.186 62.091 62.300 -0.038 0.000 0.965 1057 V CB -0.446 31.395 31.823 0.031 0.000 1.190 1057 V HN 0.473 nan 8.190 nan 0.000 0.478 1058 R N 1.347 121.865 120.500 0.030 0.000 2.261 1058 R HA -0.101 4.241 4.340 0.004 0.000 0.236 1058 R C 1.094 177.459 176.300 0.109 0.000 1.141 1058 R CA 1.094 57.263 56.100 0.115 0.000 1.001 1058 R CB -0.242 30.126 30.300 0.113 0.000 0.866 1058 R HN 0.709 nan 8.270 nan 0.000 0.468 1059 S N -0.231 115.520 115.700 0.084 0.000 2.713 1059 S HA 0.504 4.976 4.470 0.004 0.000 0.283 1059 S C 0.012 174.695 174.600 0.138 0.000 1.161 1059 S CA -1.026 57.226 58.200 0.087 0.000 0.999 1059 S CB 2.067 65.293 63.200 0.044 0.000 1.039 1059 S HN 0.011 nan 8.310 nan 0.000 0.548 1060 S N -0.357 115.432 115.700 0.148 0.000 2.766 1060 S HA 0.579 5.051 4.470 0.004 0.000 0.307 1060 S C -0.206 174.601 174.600 0.345 0.000 1.121 1060 S CA -0.688 57.643 58.200 0.217 0.000 0.980 1060 S CB 0.247 63.529 63.200 0.135 0.000 1.159 1060 S HN 0.556 nan 8.310 nan 0.000 0.546 1061 F N 0.788 120.736 119.950 -0.004 0.000 2.615 1061 F HA 0.232 4.761 4.527 0.004 0.000 0.297 1061 F C 2.400 178.188 175.800 -0.020 0.000 1.124 1061 F CA -0.016 57.970 58.000 -0.023 0.000 1.451 1061 F CB -0.478 38.518 39.000 -0.008 0.000 1.103 1061 F HN 0.393 nan 8.300 nan 0.000 0.569 1062 R N 1.506 122.116 120.500 0.184 0.000 2.082 1062 R HA -0.145 4.197 4.340 0.004 0.000 0.234 1062 R C 0.625 176.955 176.300 0.050 0.000 1.136 1062 R CA 1.325 57.483 56.100 0.096 0.000 0.935 1062 R CB -0.718 29.629 30.300 0.078 0.000 0.842 1062 R HN 0.457 nan 8.270 nan 0.000 0.430 1063 E N -1.263 118.963 120.200 0.044 0.000 2.280 1063 E HA 0.393 4.745 4.350 0.004 0.000 0.264 1063 E C -0.233 176.350 176.600 -0.028 0.000 1.064 1063 E CA -0.423 55.983 56.400 0.010 0.000 0.900 1063 E CB 0.566 30.276 29.700 0.017 0.000 1.123 1063 E HN 0.167 nan 8.360 nan 0.000 0.418 1064 G N 2.192 110.959 108.800 -0.054 0.000 2.272 1064 G HA2 0.117 4.079 3.960 0.004 0.000 0.274 1064 G HA3 0.117 4.079 3.960 0.004 0.000 0.274 1064 G C -0.410 174.409 174.900 -0.135 0.000 1.136 1064 G CA -0.389 44.647 45.100 -0.107 0.000 1.098 1064 G HN 0.410 nan 8.290 nan 0.000 0.425 1065 L N 3.025 124.105 121.223 -0.238 0.000 2.534 1065 L HA 0.149 4.491 4.340 0.004 0.000 0.271 1065 L C 1.476 178.205 176.870 -0.236 0.000 1.178 1065 L CA 0.466 55.152 54.840 -0.257 0.000 0.907 1065 L CB 0.585 42.355 42.059 -0.482 0.000 1.164 1065 L HN 0.534 nan 8.230 nan 0.000 0.482 1066 T N 2.704 117.181 114.554 -0.129 0.000 2.680 1066 T HA 0.049 4.401 4.350 0.004 0.000 0.314 1066 T C 1.528 176.184 174.700 -0.073 0.000 1.045 1066 T CA -0.120 61.928 62.100 -0.088 0.000 1.025 1066 T CB 0.686 69.524 68.868 -0.049 0.000 1.000 1066 T HN 0.397 nan 8.240 nan 0.000 0.535 1067 V N 2.207 122.098 119.914 -0.040 0.000 2.392 1067 V HA -0.091 4.031 4.120 0.004 0.000 0.249 1067 V C 2.352 178.463 176.094 0.029 0.000 1.059 1067 V CA 1.762 64.059 62.300 -0.005 0.000 1.051 1067 V CB -0.636 31.174 31.823 -0.023 0.000 0.658 1067 V HN 0.678 nan 8.190 nan 0.000 0.455 1068 L N -1.161 120.065 121.223 0.004 0.000 2.349 1068 L HA 0.068 4.410 4.340 0.004 0.000 0.200 1068 L C 2.437 179.345 176.870 0.064 0.000 1.064 1068 L CA 0.572 55.419 54.840 0.012 0.000 0.821 1068 L CB -0.310 41.716 42.059 -0.055 0.000 1.027 1068 L HN 0.212 nan 8.230 nan 0.000 0.476 1069 E N -0.285 119.928 120.200 0.022 0.000 2.284 1069 E HA -0.317 4.036 4.350 0.004 0.000 0.200 1069 E C 1.798 178.478 176.600 0.132 0.000 1.008 1069 E CA 1.639 58.052 56.400 0.022 0.000 0.829 1069 E CB -0.176 29.524 29.700 0.000 0.000 0.744 1069 E HN 0.525 nan 8.360 nan 0.000 0.491 1070 Y N -0.350 119.949 120.300 -0.002 0.000 2.163 1070 Y HA -0.263 4.290 4.550 0.004 0.000 0.288 1070 Y C 2.169 178.068 175.900 -0.001 0.000 1.136 1070 Y CA 0.694 58.792 58.100 -0.003 0.000 1.147 1070 Y CB -0.070 38.381 38.460 -0.015 0.000 0.987 1070 Y HN 0.033 nan 8.280 nan 0.000 0.509 1071 F N 0.481 120.422 119.950 -0.015 0.000 2.154 1071 F HA -0.342 4.187 4.527 0.004 0.000 0.301 1071 F C 1.927 177.554 175.800 -0.289 0.000 1.087 1071 F CA 1.258 59.151 58.000 -0.178 0.000 1.274 1071 F CB -0.236 38.699 39.000 -0.108 0.000 1.009 1071 F HN 0.016 nan 8.300 nan 0.000 0.485 1072 I N -0.549 120.035 120.570 0.023 0.000 2.252 1072 I HA -0.226 3.946 4.170 0.004 0.000 0.245 1072 I C 2.460 178.591 176.117 0.023 0.000 1.102 1072 I CA 1.260 62.586 61.300 0.044 0.000 1.385 1072 I CB -1.703 36.252 38.000 -0.075 0.000 1.064 1072 I HN 0.071 nan 8.210 nan 0.000 0.414 1073 S N 0.528 116.233 115.700 0.008 0.000 2.382 1073 S HA -0.183 4.290 4.470 0.004 0.000 0.228 1073 S C 2.199 176.756 174.600 -0.072 0.000 1.027 1073 S CA 1.596 59.818 58.200 0.037 0.000 0.991 1073 S CB -0.411 62.869 63.200 0.133 0.000 0.823 1073 S HN 0.475 nan 8.310 nan 0.000 0.469 1074 S N 1.217 116.759 115.700 -0.263 0.000 2.387 1074 S HA -0.238 4.234 4.470 0.004 0.000 0.230 1074 S C 1.789 176.199 174.600 -0.316 0.000 1.035 1074 S CA 1.276 59.246 58.200 -0.382 0.000 1.014 1074 S CB -0.516 62.321 63.200 -0.605 0.000 0.836 1074 S HN 0.610 nan 8.310 nan 0.000 0.466 1075 H N 0.186 119.151 119.070 -0.174 0.000 2.353 1075 H HA -0.016 4.542 4.556 0.004 0.000 0.300 1075 H C 2.488 177.784 175.328 -0.053 0.000 1.090 1075 H CA 1.304 57.282 56.048 -0.117 0.000 1.327 1075 H CB -1.160 28.568 29.762 -0.056 0.000 1.383 1075 H HN 0.563 nan 8.280 nan 0.000 0.508 1076 G N 0.302 109.164 108.800 0.104 0.000 2.470 1076 G HA2 -0.143 3.820 3.960 0.004 0.000 0.220 1076 G HA3 -0.143 3.820 3.960 0.004 0.000 0.220 1076 G C 1.913 176.843 174.900 0.050 0.000 1.121 1076 G CA 0.904 46.051 45.100 0.077 0.000 0.766 1076 G HN 0.520 nan 8.290 nan 0.000 0.553 1077 A N 0.237 123.068 122.820 0.018 0.000 1.903 1077 A HA 0.190 4.512 4.320 0.004 0.000 0.213 1077 A C 2.458 180.054 177.584 0.020 0.000 1.185 1077 A CA 0.890 52.943 52.037 0.026 0.000 0.628 1077 A CB -0.224 18.770 19.000 -0.010 0.000 0.830 1077 A HN 0.169 nan 8.150 nan 0.000 0.446 1078 R N 0.115 120.608 120.500 -0.013 0.000 2.073 1078 R HA -0.079 4.263 4.340 0.004 0.000 0.234 1078 R C 2.047 178.342 176.300 -0.009 0.000 1.134 1078 R CA 1.655 57.743 56.100 -0.019 0.000 0.952 1078 R CB -0.558 29.723 30.300 -0.032 0.000 0.850 1078 R HN 0.554 nan 8.270 nan 0.000 0.433 1079 K N -0.581 119.823 120.400 0.007 0.000 2.160 1079 K HA -0.126 4.196 4.320 0.004 0.000 0.206 1079 K C 1.940 178.538 176.600 -0.003 0.000 1.047 1079 K CA 1.538 57.827 56.287 0.002 0.000 0.930 1079 K CB -0.267 32.243 32.500 0.018 0.000 0.720 1079 K HN 0.303 nan 8.250 nan 0.000 0.450 1080 G N -0.428 108.385 108.800 0.022 0.000 2.396 1080 G HA2 -0.136 3.827 3.960 0.004 0.000 0.214 1080 G HA3 -0.136 3.827 3.960 0.004 0.000 0.214 1080 G C 1.480 176.349 174.900 -0.052 0.000 1.166 1080 G CA 0.664 45.789 45.100 0.042 0.000 0.793 1080 G HN 0.436 nan 8.290 nan 0.000 0.533 1081 G N 1.285 110.048 108.800 -0.062 0.000 2.446 1081 G HA2 -0.002 3.960 3.960 0.004 0.000 0.217 1081 G HA3 -0.002 3.960 3.960 0.004 0.000 0.217 1081 G C 2.037 176.789 174.900 -0.246 0.000 1.168 1081 G CA 1.618 46.604 45.100 -0.191 0.000 0.771 1081 G HN 0.621 nan 8.290 nan 0.000 0.551 1082 A N 1.194 123.926 122.820 -0.147 0.000 1.969 1082 A HA -0.008 4.314 4.320 0.004 0.000 0.218 1082 A C 1.985 179.478 177.584 -0.151 0.000 1.169 1082 A CA 2.121 54.078 52.037 -0.133 0.000 0.635 1082 A CB -0.573 18.377 19.000 -0.084 0.000 0.810 1082 A HN 0.520 nan 8.150 nan 0.000 0.445 1083 D N -0.986 119.329 120.400 -0.142 0.000 2.106 1083 D HA -0.215 4.427 4.640 0.004 0.000 0.191 1083 D C 1.866 178.058 176.300 -0.180 0.000 0.997 1083 D CA 2.463 56.388 54.000 -0.125 0.000 0.834 1083 D CB -0.638 40.114 40.800 -0.080 0.000 0.956 1083 D HN 0.253 nan 8.370 nan 0.000 0.448 1084 T N -1.447 112.913 114.554 -0.323 0.000 2.737 1084 T HA -0.192 4.160 4.350 0.004 0.000 0.269 1084 T C 1.881 176.409 174.700 -0.286 0.000 1.040 1084 T CA 2.074 63.928 62.100 -0.411 0.000 1.142 1084 T CB -0.802 67.454 68.868 -1.021 0.000 0.861 1084 T HN 0.360 nan 8.240 nan 0.000 0.456 1085 A N 1.077 123.741 122.820 -0.261 0.000 1.851 1085 A HA -0.007 4.315 4.320 0.004 0.000 0.216 1085 A C 2.204 179.718 177.584 -0.117 0.000 1.195 1085 A CA 1.780 53.714 52.037 -0.171 0.000 0.622 1085 A CB -1.004 17.909 19.000 -0.145 0.000 0.831 1085 A HN 0.506 nan 8.150 nan 0.000 0.444 1086 L N -0.459 120.700 121.223 -0.106 0.000 2.083 1086 L HA -0.137 4.205 4.340 0.004 0.000 0.209 1086 L C 2.635 179.463 176.870 -0.070 0.000 1.083 1086 L CA 1.500 56.292 54.840 -0.079 0.000 0.752 1086 L CB -0.629 41.386 42.059 -0.073 0.000 0.899 1086 L HN 0.221 nan 8.230 nan 0.000 0.433 1087 R N -0.470 119.983 120.500 -0.079 0.000 2.092 1087 R HA -0.032 4.310 4.340 0.004 0.000 0.231 1087 R C 2.244 178.515 176.300 -0.048 0.000 1.119 1087 R CA 1.595 57.660 56.100 -0.058 0.000 0.970 1087 R CB -1.725 28.540 30.300 -0.060 0.000 0.864 1087 R HN 0.526 nan 8.270 nan 0.000 0.440 1088 T N -0.597 113.918 114.554 -0.065 0.000 2.915 1088 T HA 0.045 4.397 4.350 0.004 0.000 0.269 1088 T C 1.993 176.679 174.700 -0.023 0.000 1.071 1088 T CA 1.044 63.117 62.100 -0.046 0.000 1.132 1088 T CB -0.154 68.677 68.868 -0.062 0.000 0.878 1088 T HN 0.210 nan 8.240 nan 0.000 0.479 1089 A N 1.801 124.608 122.820 -0.023 0.000 1.968 1089 A HA 0.008 4.330 4.320 0.004 0.000 0.217 1089 A C 1.933 179.547 177.584 0.050 0.000 1.169 1089 A CA 1.277 53.318 52.037 0.008 0.000 0.638 1089 A CB -0.437 18.554 19.000 -0.015 0.000 0.812 1089 A HN 0.373 nan 8.150 nan 0.000 0.446 1090 D N -1.547 118.867 120.400 0.024 0.000 2.350 1090 D HA 0.079 4.721 4.640 0.004 0.000 0.213 1090 D C 1.939 178.276 176.300 0.062 0.000 1.031 1090 D CA 0.775 54.813 54.000 0.064 0.000 0.861 1090 D CB 0.259 41.063 40.800 0.008 0.000 0.926 1090 D HN 0.298 nan 8.370 nan 0.000 0.520 1091 S N -0.842 114.869 115.700 0.019 0.000 2.395 1091 S HA -0.020 4.452 4.470 0.004 0.000 0.225 1091 S C 2.032 176.618 174.600 -0.024 0.000 1.027 1091 S CA 1.292 59.487 58.200 -0.009 0.000 0.965 1091 S CB -0.190 62.998 63.200 -0.020 0.000 0.812 1091 S HN 0.347 nan 8.310 nan 0.000 0.482 1092 G N -0.976 107.820 108.800 -0.006 0.000 2.421 1092 G HA2 -0.145 3.817 3.960 0.004 0.000 0.217 1092 G HA3 -0.145 3.817 3.960 0.004 0.000 0.217 1092 G C 1.225 176.082 174.900 -0.072 0.000 1.143 1092 G CA 0.476 45.554 45.100 -0.036 0.000 0.784 1092 G HN 0.559 nan 8.290 nan 0.000 0.541 1093 Y N -0.012 120.230 120.300 -0.098 0.000 2.133 1093 Y HA -0.042 4.510 4.550 0.004 0.000 0.287 1093 Y C 2.611 178.426 175.900 -0.143 0.000 1.134 1093 Y CA 1.163 59.189 58.100 -0.123 0.000 1.133 1093 Y CB -0.108 38.299 38.460 -0.088 0.000 0.987 1093 Y HN 0.162 nan 8.280 nan 0.000 0.502 1094 L N -0.409 120.813 121.223 -0.003 0.000 2.042 1094 L HA -0.233 4.109 4.340 0.004 0.000 0.210 1094 L C 2.178 178.923 176.870 -0.208 0.000 1.076 1094 L CA 2.426 57.206 54.840 -0.099 0.000 0.749 1094 L CB -1.049 40.950 42.059 -0.101 0.000 0.893 1094 L HN 0.210 nan 8.230 nan 0.000 0.432 1095 T N -1.239 113.202 114.554 -0.188 0.000 2.857 1095 T HA -0.123 4.229 4.350 0.004 0.000 0.266 1095 T C 2.046 176.618 174.700 -0.212 0.000 1.048 1095 T CA 1.237 63.225 62.100 -0.186 0.000 1.139 1095 T CB -0.139 68.646 68.868 -0.139 0.000 0.874 1095 T HN 0.280 nan 8.240 nan 0.000 0.455 1096 R N 0.736 121.058 120.500 -0.296 0.000 2.092 1096 R HA 0.021 4.363 4.340 0.004 0.000 0.231 1096 R C 2.431 178.493 176.300 -0.395 0.000 1.119 1096 R CA 0.816 56.701 56.100 -0.358 0.000 0.970 1096 R CB 0.043 30.038 30.300 -0.508 0.000 0.864 1096 R HN 0.143 nan 8.270 nan 0.000 0.440 1097 K N 0.579 120.709 120.400 -0.449 0.000 2.026 1097 K HA -0.137 4.185 4.320 0.004 0.000 0.208 1097 K C 2.067 178.594 176.600 -0.122 0.000 1.048 1097 K CA 1.257 57.348 56.287 -0.326 0.000 0.929 1097 K CB -0.510 31.863 32.500 -0.212 0.000 0.713 1097 K HN 0.124 nan 8.250 nan 0.000 0.439 1098 L N 0.669 121.828 121.223 -0.107 0.000 2.017 1098 L HA -0.160 4.183 4.340 0.004 0.000 0.208 1098 L C 2.457 179.328 176.870 0.002 0.000 1.073 1098 L CA 1.008 55.830 54.840 -0.030 0.000 0.745 1098 L CB -0.540 41.452 42.059 -0.112 0.000 0.894 1098 L HN -0.123 nan 8.230 nan 0.000 0.432 1099 V N -0.751 119.150 119.914 -0.022 0.000 2.295 1099 V HA -0.310 3.813 4.120 0.004 0.000 0.246 1099 V C 1.944 178.168 176.094 0.216 0.000 1.049 1099 V CA 2.000 64.333 62.300 0.054 0.000 1.024 1099 V CB -0.575 31.245 31.823 -0.006 0.000 0.648 1099 V HN 0.402 nan 8.190 nan 0.000 0.447 1100 D N -0.533 119.950 120.400 0.138 0.000 2.311 1100 D HA -0.121 4.522 4.640 0.004 0.000 0.212 1100 D C 1.673 178.098 176.300 0.209 0.000 0.972 1100 D CA 0.978 55.141 54.000 0.271 0.000 0.887 1100 D CB 0.107 40.997 40.800 0.150 0.000 0.915 1100 D HN 0.364 nan 8.370 nan 0.000 0.497 1101 V N -1.403 118.560 119.914 0.080 0.000 3.212 1101 V HA 0.033 4.155 4.120 0.004 0.000 0.244 1101 V C 1.684 177.728 176.094 -0.084 0.000 1.151 1101 V CA 0.926 63.225 62.300 -0.000 0.000 1.119 1101 V CB 0.512 32.371 31.823 0.060 0.000 0.838 1101 V HN 0.052 nan 8.190 nan 0.000 0.470 1102 T N 0.394 114.927 114.554 -0.037 0.000 3.105 1102 T HA 0.094 4.446 4.350 0.004 0.000 0.253 1102 T C 1.501 176.169 174.700 -0.053 0.000 1.047 1102 T CA 0.227 62.308 62.100 -0.031 0.000 0.944 1102 T CB -0.324 68.565 68.868 0.034 0.000 1.016 1102 T HN 0.739 nan 8.240 nan 0.000 0.544 1103 H N 1.736 120.792 119.070 -0.023 0.000 2.436 1103 H HA 0.073 4.631 4.556 0.003 0.000 0.294 1103 H C 1.671 176.954 175.328 -0.075 0.000 1.048 1103 H CA 1.180 57.199 56.048 -0.047 0.000 1.353 1103 H CB -0.177 29.555 29.762 -0.051 0.000 1.414 1103 H HN 0.537 nan 8.280 nan 0.000 0.536 1104 E N 1.713 121.713 120.200 -0.333 0.000 2.268 1104 E HA -0.033 4.319 4.350 0.004 0.000 0.195 1104 E C 0.431 176.929 176.600 -0.170 0.000 0.995 1104 E CA 0.078 56.313 56.400 -0.275 0.000 0.836 1104 E CB 0.023 29.381 29.700 -0.571 0.000 0.763 1104 E HN 0.260 nan 8.360 nan 0.000 0.491 1105 I N 3.094 123.602 120.570 -0.104 0.000 2.671 1105 I HA 0.010 4.182 4.170 0.004 0.000 0.285 1105 I C -0.117 175.970 176.117 -0.049 0.000 1.148 1105 I CA 0.248 61.526 61.300 -0.037 0.000 1.386 1105 I CB -0.235 37.751 38.000 -0.024 0.000 1.406 1105 I HN -0.093 nan 8.210 nan 0.000 0.540 1106 V N 6.804 126.696 119.914 -0.036 0.000 3.049 1106 V HA 0.349 4.471 4.120 0.004 0.000 0.309 1106 V C -0.090 175.985 176.094 -0.033 0.000 1.148 1106 V CA -0.992 61.282 62.300 -0.043 0.000 0.990 1106 V CB 2.390 34.198 31.823 -0.025 0.000 1.039 1106 V HN 0.280 nan 8.190 nan 0.000 0.430 1107 V N 3.646 123.533 119.914 -0.044 0.000 2.415 1107 V HA 0.387 4.509 4.120 0.004 0.000 0.267 1107 V C 0.258 176.343 176.094 -0.015 0.000 1.042 1107 V CA 0.055 62.339 62.300 -0.027 0.000 1.000 1107 V CB -0.197 31.613 31.823 -0.021 0.000 1.015 1107 V HN 0.829 nan 8.190 nan 0.000 0.478 1108 R N 4.468 124.960 120.500 -0.014 0.000 2.631 1108 R HA 0.544 4.886 4.340 0.004 0.000 0.289 1108 R C -0.647 175.634 176.300 -0.032 0.000 1.303 1108 R CA -0.517 55.573 56.100 -0.017 0.000 0.989 1108 R CB 1.837 32.148 30.300 0.018 0.000 1.208 1108 R HN 0.984 nan 8.270 nan 0.000 0.461 1109 E N 1.453 121.601 120.200 -0.088 0.000 2.377 1109 E HA 0.795 5.147 4.350 0.004 0.000 0.266 1109 E C -1.682 174.845 176.600 -0.122 0.000 1.111 1109 E CA -1.096 55.261 56.400 -0.072 0.000 0.889 1109 E CB 0.843 30.519 29.700 -0.040 0.000 1.644 1109 E HN 0.335 nan 8.360 nan 0.000 0.464 1110 A N 0.250 123.031 122.820 -0.065 0.000 2.515 1110 A HA 0.555 4.877 4.320 0.004 0.000 0.298 1110 A C -1.312 176.259 177.584 -0.022 0.000 1.059 1110 A CA -0.601 51.409 52.037 -0.045 0.000 0.698 1110 A CB 1.441 20.430 19.000 -0.019 0.000 1.289 1110 A HN 0.625 nan 8.150 nan 0.000 0.404 1111 D N 1.750 122.144 120.400 -0.011 0.000 2.536 1111 D HA 0.030 4.673 4.640 0.004 0.000 0.260 1111 D C 0.837 177.134 176.300 -0.006 0.000 1.270 1111 D CA 0.383 54.379 54.000 -0.006 0.000 0.934 1111 D CB -0.207 40.590 40.800 -0.006 0.000 1.129 1111 D HN 0.735 nan 8.370 nan 0.000 0.533 1112 C N 3.662 122.960 119.300 -0.003 0.000 2.601 1112 C HA 0.376 4.838 4.460 0.004 0.000 0.405 1112 C C 1.951 176.941 174.990 0.000 0.000 1.441 1112 C CA -0.257 58.762 59.018 0.001 0.000 1.555 1112 C CB -0.483 27.261 27.740 0.006 0.000 2.450 1112 C HN 0.634 nan 8.230 nan 0.000 0.614 1113 G N 3.721 112.522 108.800 0.002 0.000 2.559 1113 G HA2 -0.010 3.952 3.960 0.004 0.000 0.216 1113 G HA3 -0.010 3.952 3.960 0.004 0.000 0.216 1113 G C 0.917 175.823 174.900 0.010 0.000 1.126 1113 G CA 0.831 45.933 45.100 0.002 0.000 0.778 1113 G HN 0.883 nan 8.290 nan 0.000 0.543 1114 T N 2.174 116.737 114.554 0.016 0.000 2.840 1114 T HA 0.312 4.664 4.350 0.004 0.000 0.276 1114 T C 0.436 175.161 174.700 0.042 0.000 0.912 1114 T CA -0.054 62.063 62.100 0.028 0.000 1.116 1114 T CB -0.262 68.622 68.868 0.027 0.000 0.895 1114 T HN 0.089 nan 8.240 nan 0.000 0.570 1115 T N 5.854 120.437 114.554 0.049 0.000 3.579 1115 T HA 0.293 4.645 4.350 0.004 0.000 0.328 1115 T C 0.007 174.814 174.700 0.179 0.000 1.481 1115 T CA -0.992 61.151 62.100 0.072 0.000 1.144 1115 T CB -0.471 68.406 68.868 0.016 0.000 1.205 1115 T HN 0.524 nan 8.240 nan 0.000 0.812 1116 N N 2.789 121.604 118.700 0.192 0.000 2.319 1116 N HA 0.608 5.350 4.740 0.004 0.000 0.305 1116 N C -0.763 174.901 175.510 0.256 0.000 1.103 1116 N CA -0.820 52.348 53.050 0.195 0.000 0.815 1116 N CB 1.956 40.480 38.487 0.062 0.000 1.288 1116 N HN 0.667 nan 8.380 nan 0.000 0.493 1117 Y N -1.903 118.395 120.300 -0.004 0.000 2.656 1117 Y HA 0.581 5.133 4.550 0.003 0.000 0.334 1117 Y C -1.321 174.578 175.900 -0.001 0.000 1.179 1117 Y CA -1.405 56.692 58.100 -0.006 0.000 1.050 1117 Y CB 1.049 39.499 38.460 -0.016 0.000 1.308 1117 Y HN 0.167 nan 8.280 nan 0.000 0.456 1118 I N 2.150 122.762 120.570 0.071 0.000 2.440 1118 I HA 0.313 4.485 4.170 0.004 0.000 0.294 1118 I C -0.246 175.931 176.117 0.101 0.000 0.995 1118 I CA -0.425 60.882 61.300 0.012 0.000 1.306 1118 I CB 1.719 39.738 38.000 0.031 0.000 1.407 1118 I HN 0.716 nan 8.210 nan 0.000 0.501 1119 S N 5.033 120.761 115.700 0.046 0.000 2.422 1119 S HA 0.366 4.838 4.470 0.004 0.000 0.308 1119 S C -0.084 174.559 174.600 0.071 0.000 1.097 1119 S CA -0.574 57.686 58.200 0.100 0.000 1.099 1119 S CB 1.264 64.508 63.200 0.075 0.000 0.976 1119 S HN 0.305 nan 8.310 nan 0.000 0.471 1120 V N 6.544 126.502 119.914 0.073 0.000 2.405 1120 V HA 0.214 4.336 4.120 0.004 0.000 0.264 1120 V C -2.229 173.899 176.094 0.055 0.000 1.048 1120 V CA -1.781 60.549 62.300 0.050 0.000 0.966 1120 V CB 0.204 32.046 31.823 0.030 0.000 1.015 1120 V HN 0.592 nan 8.190 nan 0.000 0.477 1121 P HA 0.203 nan 4.420 nan 0.000 0.271 1121 P C 0.134 177.464 177.300 0.051 0.000 1.216 1121 P CA -0.186 62.966 63.100 0.087 0.000 0.776 1121 P CB 0.883 32.635 31.700 0.087 0.000 0.881 1122 L N 2.005 123.275 121.223 0.079 0.000 2.638 1122 L HA 0.319 4.661 4.340 0.004 0.000 0.232 1122 L C 0.130 176.691 176.870 -0.514 0.000 1.099 1122 L CA 0.754 55.474 54.840 -0.201 0.000 0.883 1122 L CB -0.371 41.530 42.059 -0.263 0.000 1.136 1122 L HN 0.294 nan 8.230 nan 0.000 0.492 1123 F N -0.381 119.581 119.950 0.020 0.000 2.577 1123 F HA 0.557 5.086 4.527 0.003 0.000 0.318 1123 F C -0.043 175.770 175.800 0.021 0.000 1.065 1123 F CA -0.969 57.043 58.000 0.019 0.000 0.929 1123 F CB 1.482 40.492 39.000 0.017 0.000 1.237 1123 F HN -0.135 nan 8.300 nan 0.000 0.468 1124 Q N 1.552 121.470 119.800 0.196 0.000 2.340 1124 Q HA 0.497 4.839 4.340 0.004 0.000 0.268 1124 Q C -2.784 173.285 176.000 0.115 0.000 1.031 1124 Q CA -1.972 53.905 55.803 0.123 0.000 0.804 1124 Q CB 2.407 31.189 28.738 0.075 0.000 1.286 1124 Q HN 0.238 nan 8.270 nan 0.000 0.448 1125 P HA -0.178 nan 4.420 nan 0.000 0.202 1125 P C -0.249 177.083 177.300 0.054 0.000 1.149 1125 P CA 1.154 64.293 63.100 0.064 0.000 0.931 1125 P CB 0.194 31.926 31.700 0.053 0.000 0.762 1126 D N -0.866 119.563 120.400 0.049 0.000 2.472 1126 D HA 0.065 4.708 4.640 0.004 0.000 0.234 1126 D C 0.535 176.860 176.300 0.041 0.000 1.088 1126 D CA -0.112 53.912 54.000 0.041 0.000 0.882 1126 D CB 0.374 41.196 40.800 0.036 0.000 1.037 1126 D HN -0.052 nan 8.370 nan 0.000 0.520 1127 E N 1.644 121.868 120.200 0.040 0.000 2.175 1127 E HA 0.101 4.453 4.350 0.004 0.000 0.195 1127 E C 0.025 176.643 176.600 0.030 0.000 0.934 1127 E CA 0.601 57.022 56.400 0.036 0.000 0.870 1127 E CB 0.871 30.592 29.700 0.036 0.000 0.838 1127 E HN 0.235 nan 8.360 nan 0.000 0.474 1128 V N 1.555 121.487 119.914 0.030 0.000 2.459 1128 V HA 0.107 4.229 4.120 0.004 0.000 0.295 1128 V C 1.386 177.495 176.094 0.024 0.000 1.029 1128 V CA 0.176 62.491 62.300 0.025 0.000 0.874 1128 V CB 1.241 33.078 31.823 0.024 0.000 0.985 1128 V HN 0.312 nan 8.190 nan 0.000 0.438 1129 T N 3.958 118.524 114.554 0.021 0.000 1.824 1129 T HA -0.333 4.019 4.350 0.004 0.000 0.134 1129 T C 0.789 175.502 174.700 0.020 0.000 1.870 1129 T CA 2.310 64.421 62.100 0.019 0.000 0.887 1129 T CB -0.114 68.763 68.868 0.015 0.000 0.796 1129 T HN 0.616 nan 8.240 nan 0.000 0.404 1130 R N 1.078 121.589 120.500 0.018 0.000 2.468 1130 R HA 0.576 4.918 4.340 0.004 0.000 0.302 1130 R C -1.396 174.915 176.300 0.018 0.000 1.041 1130 R CA 0.200 56.311 56.100 0.018 0.000 0.899 1130 R CB 1.927 32.234 30.300 0.012 0.000 1.167 1130 R HN 0.694 nan 8.270 nan 0.000 0.483 1131 S N 2.612 118.328 115.700 0.026 0.000 2.706 1131 S HA 0.385 4.857 4.470 0.004 0.000 0.270 1131 S C -0.986 173.642 174.600 0.047 0.000 1.163 1131 S CA -1.000 57.218 58.200 0.030 0.000 1.042 1131 S CB 0.813 64.032 63.200 0.032 0.000 1.079 1131 S HN 0.205 nan 8.310 nan 0.000 0.474 1132 L N 3.692 124.939 121.223 0.040 0.000 2.453 1132 L HA 0.520 4.862 4.340 0.004 0.000 0.272 1132 L C 0.867 177.822 176.870 0.141 0.000 1.182 1132 L CA 0.729 55.612 54.840 0.070 0.000 0.858 1132 L CB -0.126 41.924 42.059 -0.015 0.000 1.120 1132 L HN 0.883 nan 8.230 nan 0.000 0.474 1133 R N 2.381 123.028 120.500 0.246 0.000 2.740 1133 R HA 0.707 5.049 4.340 0.004 0.000 0.273 1133 R C -1.315 175.181 176.300 0.326 0.000 0.998 1133 R CA -1.170 55.081 56.100 0.251 0.000 0.900 1133 R CB 1.133 31.507 30.300 0.124 0.000 1.223 1133 R HN 0.275 nan 8.270 nan 0.000 0.466 1134 L N 2.474 123.785 121.223 0.147 0.000 2.418 1134 L HA 0.239 4.581 4.340 0.004 0.000 0.274 1134 L C 0.296 177.049 176.870 -0.195 0.000 1.135 1134 L CA 0.106 54.793 54.840 -0.255 0.000 0.870 1134 L CB 0.367 42.318 42.059 -0.181 0.000 1.154 1134 L HN 0.503 nan 8.230 nan 0.000 0.462 1135 R N 3.992 124.322 120.500 -0.283 0.000 2.861 1135 R HA 0.069 4.411 4.340 0.004 0.000 0.268 1135 R C 0.084 176.320 176.300 -0.108 0.000 1.027 1135 R CA -0.183 55.834 56.100 -0.139 0.000 1.163 1135 R CB 0.221 30.442 30.300 -0.133 0.000 1.060 1135 R HN 0.607 nan 8.270 nan 0.000 0.483 1136 K N 1.582 121.948 120.400 -0.056 0.000 2.380 1136 K HA -0.067 4.255 4.320 0.004 0.000 0.267 1136 K C 1.337 177.911 176.600 -0.042 0.000 0.990 1136 K CA 0.058 56.323 56.287 -0.037 0.000 0.946 1136 K CB 0.564 33.056 32.500 -0.013 0.000 0.937 1136 K HN 0.464 nan 8.250 nan 0.000 0.491 1137 R N 1.699 122.184 120.500 -0.025 0.000 2.092 1137 R HA -0.193 4.150 4.340 0.004 0.000 0.226 1137 R C 2.176 178.478 176.300 0.004 0.000 1.140 1137 R CA 1.995 58.090 56.100 -0.008 0.000 0.910 1137 R CB -0.667 29.636 30.300 0.005 0.000 0.822 1137 R HN 0.817 nan 8.270 nan 0.000 0.433 1138 A N 1.427 124.254 122.820 0.010 0.000 1.915 1138 A HA -0.309 4.013 4.320 0.004 0.000 0.220 1138 A C 1.761 179.340 177.584 -0.009 0.000 1.198 1138 A CA 2.379 54.420 52.037 0.008 0.000 0.647 1138 A CB -1.043 17.961 19.000 0.007 0.000 0.825 1138 A HN 0.619 nan 8.150 nan 0.000 0.456 1139 D N 0.052 120.444 120.400 -0.013 0.000 2.087 1139 D HA -0.183 4.459 4.640 0.004 0.000 0.192 1139 D C 1.911 178.183 176.300 -0.048 0.000 0.993 1139 D CA 1.751 55.736 54.000 -0.025 0.000 0.828 1139 D CB -0.643 40.147 40.800 -0.017 0.000 0.968 1139 D HN 0.580 nan 8.370 nan 0.000 0.448 1140 I N 1.630 122.172 120.570 -0.047 0.000 2.113 1140 I HA -0.298 3.874 4.170 0.004 0.000 0.242 1140 I C 2.422 178.507 176.117 -0.054 0.000 1.064 1140 I CA 1.404 62.670 61.300 -0.056 0.000 1.320 1140 I CB -0.477 37.488 38.000 -0.058 0.000 1.028 1140 I HN 0.010 nan 8.210 nan 0.000 0.406 1141 E N 1.071 121.259 120.200 -0.020 0.000 2.086 1141 E HA -0.308 4.044 4.350 0.004 0.000 0.200 1141 E C 2.390 178.947 176.600 -0.073 0.000 1.012 1141 E CA 1.604 58.008 56.400 0.007 0.000 0.812 1141 E CB -0.362 29.368 29.700 0.051 0.000 0.743 1141 E HN 0.614 nan 8.360 nan 0.000 0.453 1142 A N 1.368 124.106 122.820 -0.137 0.000 1.908 1142 A HA -0.152 4.170 4.320 0.004 0.000 0.218 1142 A C 2.459 179.683 177.584 -0.599 0.000 1.181 1142 A CA 1.989 53.843 52.037 -0.305 0.000 0.627 1142 A CB -1.136 17.774 19.000 -0.149 0.000 0.818 1142 A HN 0.373 nan 8.150 nan 0.000 0.445 1143 G N -0.272 108.353 108.800 -0.292 0.000 2.404 1143 G HA2 -0.015 3.947 3.960 0.004 0.000 0.215 1143 G HA3 -0.015 3.947 3.960 0.004 0.000 0.215 1143 G C 1.358 176.162 174.900 -0.160 0.000 1.174 1143 G CA 1.086 46.060 45.100 -0.210 0.000 0.780 1143 G HN 0.529 nan 8.290 nan 0.000 0.537 1144 L N -1.249 119.907 121.223 -0.112 0.000 2.664 1144 L HA 0.389 4.731 4.340 0.004 0.000 0.233 1144 L C 0.850 177.699 176.870 -0.035 0.000 1.113 1144 L CA -0.854 53.952 54.840 -0.057 0.000 0.896 1144 L CB -0.287 41.732 42.059 -0.067 0.000 1.163 1144 L HN 0.096 nan 8.230 nan 0.000 0.497 1145 Y N 2.805 123.045 120.300 -0.100 0.000 2.811 1145 Y HA 0.220 4.772 4.550 0.003 0.000 0.334 1145 Y C 1.540 177.506 175.900 0.110 0.000 1.247 1145 Y CA 0.480 58.583 58.100 0.005 0.000 1.526 1145 Y CB 0.554 39.041 38.460 0.045 0.000 1.284 1145 Y HN 0.266 nan 8.280 nan 0.000 0.586 1146 G N 5.786 114.035 108.800 -0.918 0.000 2.441 1146 G HA2 -0.282 3.680 3.960 0.004 0.000 0.298 1146 G HA3 -0.282 3.680 3.960 0.004 0.000 0.298 1146 G C 0.345 175.121 174.900 -0.207 0.000 0.949 1146 G CA 0.350 45.036 45.100 -0.689 0.000 1.072 1146 G HN 0.603 nan 8.290 nan 0.000 0.512 1147 R N -1.634 118.735 120.500 -0.218 0.000 2.719 1147 R HA 0.712 5.054 4.340 0.004 0.000 0.233 1147 R C -0.147 175.987 176.300 -0.276 0.000 1.257 1147 R CA -0.936 55.068 56.100 -0.161 0.000 1.109 1147 R CB 0.948 31.197 30.300 -0.086 0.000 1.447 1147 R HN 0.140 nan 8.270 nan 0.000 0.537 1148 V N 2.062 121.800 119.914 -0.295 0.000 2.407 1148 V HA 0.255 4.377 4.120 0.004 0.000 0.291 1148 V C 0.324 176.247 176.094 -0.285 0.000 1.018 1148 V CA -0.706 61.336 62.300 -0.431 0.000 0.842 1148 V CB 1.668 33.142 31.823 -0.582 0.000 0.996 1148 V HN 0.456 nan 8.190 nan 0.000 0.426 1149 L N 3.941 125.005 121.223 -0.264 0.000 2.601 1149 L HA 0.016 4.358 4.340 0.004 0.000 0.277 1149 L C 1.673 178.410 176.870 -0.222 0.000 1.219 1149 L CA 0.524 55.237 54.840 -0.212 0.000 0.915 1149 L CB 0.963 42.909 42.059 -0.188 0.000 1.160 1149 L HN 0.859 nan 8.230 nan 0.000 0.494 1150 A N 5.655 128.331 122.820 -0.240 0.000 1.970 1150 A HA 0.044 4.366 4.320 0.004 0.000 0.216 1150 A C 0.767 178.158 177.584 -0.321 0.000 1.170 1150 A CA 0.805 52.675 52.037 -0.278 0.000 0.645 1150 A CB 0.046 18.833 19.000 -0.354 0.000 0.816 1150 A HN 0.711 nan 8.150 nan 0.000 0.447 1151 R N -0.407 119.884 120.500 -0.347 0.000 2.799 1151 R HA 0.441 4.783 4.340 0.004 0.000 0.270 1151 R C -0.932 175.254 176.300 -0.191 0.000 1.010 1151 R CA -0.802 55.133 56.100 -0.273 0.000 0.916 1151 R CB 0.542 30.637 30.300 -0.341 0.000 1.228 1151 R HN 0.253 nan 8.270 nan 0.000 0.469 1152 E N 1.413 121.531 120.200 -0.136 0.000 2.360 1152 E HA 0.248 4.600 4.350 0.004 0.000 0.269 1152 E C -0.974 175.576 176.600 -0.083 0.000 1.022 1152 E CA -0.262 56.079 56.400 -0.099 0.000 0.887 1152 E CB 1.064 30.720 29.700 -0.075 0.000 0.990 1152 E HN 0.310 nan 8.360 nan 0.000 0.426 1153 V N 4.895 124.767 119.914 -0.071 0.000 2.482 1153 V HA 0.222 4.344 4.120 0.004 0.000 0.295 1153 V C -0.523 175.549 176.094 -0.037 0.000 1.026 1153 V CA -0.752 61.518 62.300 -0.051 0.000 0.856 1153 V CB 1.573 33.365 31.823 -0.052 0.000 1.001 1153 V HN 0.643 nan 8.190 nan 0.000 0.424 1154 E N 3.008 123.192 120.200 -0.026 0.000 2.115 1154 E HA 0.436 4.788 4.350 0.004 0.000 0.282 1154 E C 0.186 176.779 176.600 -0.011 0.000 0.987 1154 E CA -0.291 56.098 56.400 -0.019 0.000 0.797 1154 E CB 2.024 31.715 29.700 -0.016 0.000 1.086 1154 E HN 0.618 nan 8.360 nan 0.000 0.397 1155 V N 1.365 121.274 119.914 -0.008 0.000 4.255 1155 V HA 0.126 4.248 4.120 0.004 0.000 0.186 1155 V C 1.464 177.561 176.094 0.005 0.000 1.068 1155 V CA -0.321 61.980 62.300 0.001 0.000 1.418 1155 V CB -0.453 31.373 31.823 0.004 0.000 1.876 1155 V HN 0.549 nan 8.190 nan 0.000 0.469 1156 L N 0.766 121.993 121.223 0.006 0.000 2.509 1156 L HA 0.492 4.835 4.340 0.004 0.000 0.222 1156 L C 1.675 178.548 176.870 0.004 0.000 1.123 1156 L CA 1.245 56.090 54.840 0.008 0.000 0.856 1156 L CB 0.381 42.447 42.059 0.012 0.000 0.985 1156 L HN 0.882 nan 8.230 nan 0.000 0.456 1157 G N -1.370 107.430 108.800 -0.000 0.000 3.827 1157 G HA2 -0.056 3.906 3.960 0.004 0.000 0.218 1157 G HA3 -0.056 3.906 3.960 0.004 0.000 0.218 1157 G C -0.025 174.872 174.900 -0.006 0.000 0.892 1157 G CA -0.344 44.755 45.100 -0.002 0.000 0.857 1157 G HN -0.051 nan 8.290 nan 0.000 0.508 1158 V N 1.021 120.930 119.914 -0.008 0.000 2.837 1158 V HA 0.664 4.786 4.120 0.004 0.000 0.310 1158 V C 0.495 176.578 176.094 -0.017 0.000 1.059 1158 V CA -0.740 61.552 62.300 -0.013 0.000 1.004 1158 V CB 1.704 33.518 31.823 -0.014 0.000 1.045 1158 V HN 0.301 nan 8.190 nan 0.000 0.465 1159 R N 2.995 123.482 120.500 -0.021 0.000 2.346 1159 R HA 0.457 4.799 4.340 0.004 0.000 0.309 1159 R C -0.873 175.406 176.300 -0.035 0.000 1.119 1159 R CA -0.447 55.637 56.100 -0.027 0.000 1.112 1159 R CB 0.039 30.325 30.300 -0.024 0.000 1.132 1159 R HN 0.711 nan 8.270 nan 0.000 0.538 1160 L N 5.487 126.685 121.223 -0.042 0.000 2.456 1160 L HA 0.133 4.475 4.340 0.004 0.000 0.277 1160 L C 0.892 177.723 176.870 -0.065 0.000 1.124 1160 L CA -0.226 54.580 54.840 -0.057 0.000 0.880 1160 L CB -0.055 41.965 42.059 -0.065 0.000 1.192 1160 L HN 0.559 nan 8.230 nan 0.000 0.463 1161 E N 3.096 123.258 120.200 -0.063 0.000 2.392 1161 E HA 0.120 4.472 4.350 0.004 0.000 0.256 1161 E C -0.231 176.315 176.600 -0.091 0.000 1.145 1161 E CA -0.689 55.672 56.400 -0.066 0.000 0.929 1161 E CB 1.249 30.919 29.700 -0.050 0.000 0.998 1161 E HN 0.490 nan 8.360 nan 0.000 0.442 1162 E N 0.037 120.181 120.200 -0.093 0.000 2.408 1162 E HA 0.080 4.432 4.350 0.004 0.000 0.259 1162 E C 0.877 177.399 176.600 -0.131 0.000 1.110 1162 E CA 0.900 57.228 56.400 -0.120 0.000 0.929 1162 E CB 0.548 30.183 29.700 -0.109 0.000 0.971 1162 E HN 0.769 nan 8.360 nan 0.000 0.438 1163 G N 3.535 112.228 108.800 -0.179 0.000 2.238 1163 G HA2 -0.346 3.616 3.960 0.004 0.000 0.270 1163 G HA3 -0.346 3.616 3.960 0.004 0.000 0.270 1163 G C 0.661 175.382 174.900 -0.299 0.000 0.977 1163 G CA 0.872 45.833 45.100 -0.232 0.000 0.639 1163 G HN 0.548 nan 8.290 nan 0.000 0.544 1164 R N 0.189 120.569 120.500 -0.199 0.000 2.489 1164 R HA 0.289 4.631 4.340 0.004 0.000 0.287 1164 R C -0.373 175.782 176.300 -0.241 0.000 1.053 1164 R CA -0.362 55.658 56.100 -0.134 0.000 1.036 1164 R CB -0.008 30.241 30.300 -0.086 0.000 0.966 1164 R HN 0.218 nan 8.270 nan 0.000 0.432 1165 Y N 5.120 125.298 120.300 -0.204 0.000 2.480 1165 Y HA 0.083 4.635 4.550 0.003 0.000 0.341 1165 Y C 0.466 176.074 175.900 -0.486 0.000 1.031 1165 Y CA -0.461 57.427 58.100 -0.354 0.000 1.295 1165 Y CB 0.410 38.638 38.460 -0.387 0.000 1.162 1165 Y HN 0.346 nan 8.280 nan 0.000 0.523 1166 L N 1.288 122.284 121.223 -0.377 0.000 2.385 1166 L HA 0.459 4.801 4.340 0.004 0.000 0.281 1166 L C 0.552 177.069 176.870 -0.588 0.000 1.106 1166 L CA -0.340 54.273 54.840 -0.378 0.000 0.856 1166 L CB 0.595 42.487 42.059 -0.278 0.000 1.186 1166 L HN 0.488 nan 8.230 nan 0.000 0.453 1167 S N 2.857 118.269 115.700 -0.481 0.000 2.600 1167 S HA 0.152 4.624 4.470 0.004 0.000 0.265 1167 S C 1.087 175.497 174.600 -0.317 0.000 1.325 1167 S CA -0.574 57.382 58.200 -0.408 0.000 1.002 1167 S CB 0.958 64.070 63.200 -0.146 0.000 0.921 1167 S HN 0.826 nan 8.310 nan 0.000 0.554 1168 M N 1.932 121.448 119.600 -0.140 0.000 2.358 1168 M HA -0.067 4.415 4.480 0.004 0.000 0.264 1168 M C 1.200 177.205 176.300 -0.491 0.000 1.064 1168 M CA 1.669 56.891 55.300 -0.131 0.000 1.093 1168 M CB -0.653 32.108 32.600 0.268 0.000 1.401 1168 M HN 0.688 nan 8.290 nan 0.000 0.440 1169 D N -0.643 119.634 120.400 -0.206 0.000 2.178 1169 D HA -0.149 4.493 4.640 0.004 0.000 0.202 1169 D C 1.270 177.533 176.300 -0.063 0.000 0.974 1169 D CA 1.470 55.432 54.000 -0.063 0.000 0.841 1169 D CB -0.296 40.509 40.800 0.008 0.000 0.953 1169 D HN 0.477 nan 8.370 nan 0.000 0.478 1170 D N 0.227 120.553 120.400 -0.125 0.000 2.123 1170 D HA -0.082 4.560 4.640 0.004 0.000 0.200 1170 D C 2.113 178.358 176.300 -0.093 0.000 0.976 1170 D CA 0.399 54.338 54.000 -0.102 0.000 0.831 1170 D CB 0.280 40.993 40.800 -0.144 0.000 0.974 1170 D HN -0.058 nan 8.370 nan 0.000 0.469 1171 V N 0.769 120.590 119.914 -0.154 0.000 3.078 1171 V HA -0.160 3.962 4.120 0.004 0.000 0.265 1171 V C 1.542 177.635 176.094 -0.002 0.000 1.122 1171 V CA 1.223 63.463 62.300 -0.100 0.000 1.141 1171 V CB -0.557 31.198 31.823 -0.113 0.000 0.735 1171 V HN 0.346 nan 8.190 nan 0.000 0.498 1172 H N -0.993 118.084 119.070 0.012 0.000 2.448 1172 H HA 0.083 4.641 4.556 0.004 0.000 0.292 1172 H C 1.974 177.305 175.328 0.004 0.000 1.035 1172 H CA 0.965 57.023 56.048 0.016 0.000 1.349 1172 H CB 0.021 29.800 29.762 0.028 0.000 1.425 1172 H HN 0.335 nan 8.280 nan 0.000 0.539 1173 L N 0.639 121.932 121.223 0.117 0.000 2.027 1173 L HA -0.073 4.269 4.340 0.004 0.000 0.206 1173 L C 2.138 179.033 176.870 0.041 0.000 1.074 1173 L CA 1.300 56.176 54.840 0.060 0.000 0.745 1173 L CB -0.856 41.218 42.059 0.025 0.000 0.898 1173 L HN 0.125 nan 8.230 nan 0.000 0.433 1174 L N -1.101 120.137 121.223 0.025 0.000 2.131 1174 L HA -0.216 4.126 4.340 0.004 0.000 0.210 1174 L C 2.421 179.308 176.870 0.029 0.000 1.092 1174 L CA 1.185 56.036 54.840 0.019 0.000 0.759 1174 L CB -0.395 41.662 42.059 -0.003 0.000 0.903 1174 L HN 0.280 nan 8.230 nan 0.000 0.435 1175 I N -0.552 120.039 120.570 0.035 0.000 2.353 1175 I HA -0.256 3.916 4.170 0.004 0.000 0.248 1175 I C 2.489 178.624 176.117 0.031 0.000 1.119 1175 I CA 1.187 62.499 61.300 0.020 0.000 1.417 1175 I CB -0.213 37.806 38.000 0.031 0.000 1.078 1175 I HN 0.139 nan 8.210 nan 0.000 0.421 1176 K N 0.757 121.182 120.400 0.042 0.000 2.209 1176 K HA -0.117 4.205 4.320 0.004 0.000 0.204 1176 K C 2.165 178.792 176.600 0.046 0.000 1.048 1176 K CA 1.249 57.559 56.287 0.038 0.000 0.940 1176 K CB -0.074 32.447 32.500 0.034 0.000 0.729 1176 K HN 0.327 nan 8.250 nan 0.000 0.451 1177 A N 0.942 123.792 122.820 0.049 0.000 1.898 1177 A HA -0.008 4.314 4.320 0.004 0.000 0.214 1177 A C 2.276 179.913 177.584 0.088 0.000 1.183 1177 A CA 1.449 53.519 52.037 0.055 0.000 0.622 1177 A CB -0.515 18.512 19.000 0.045 0.000 0.824 1177 A HN 0.309 nan 8.150 nan 0.000 0.444 1178 A N -0.556 122.334 122.820 0.116 0.000 1.972 1178 A HA -0.157 4.165 4.320 0.004 0.000 0.219 1178 A C 1.971 179.715 177.584 0.268 0.000 1.169 1178 A CA 1.681 53.860 52.037 0.237 0.000 0.635 1178 A CB -0.421 18.703 19.000 0.207 0.000 0.810 1178 A HN 0.461 nan 8.150 nan 0.000 0.446 1179 E N -0.055 120.234 120.200 0.148 0.000 2.085 1179 E HA -0.174 4.178 4.350 0.004 0.000 0.194 1179 E C 2.330 178.993 176.600 0.106 0.000 0.994 1179 E CA 1.295 57.769 56.400 0.124 0.000 0.801 1179 E CB -0.359 29.381 29.700 0.067 0.000 0.743 1179 E HN 0.560 nan 8.360 nan 0.000 0.453 1180 A N -0.156 122.713 122.820 0.082 0.000 1.930 1180 A HA 0.063 4.385 4.320 0.004 0.000 0.217 1180 A C 1.480 179.096 177.584 0.053 0.000 1.175 1180 A CA 1.657 53.728 52.037 0.056 0.000 0.627 1180 A CB -0.267 18.758 19.000 0.042 0.000 0.815 1180 A HN 0.335 nan 8.150 nan 0.000 0.443 1181 G N -1.175 107.671 108.800 0.076 0.000 2.754 1181 G HA2 -0.044 3.918 3.960 0.004 0.000 0.215 1181 G HA3 -0.044 3.918 3.960 0.004 0.000 0.215 1181 G C -0.019 174.897 174.900 0.026 0.000 1.121 1181 G CA 0.510 45.635 45.100 0.043 0.000 0.954 1181 G HN 0.361 nan 8.290 nan 0.000 0.511 1182 E N -0.723 119.508 120.200 0.052 0.000 2.474 1182 E HA 0.394 4.746 4.350 0.004 0.000 0.215 1182 E C 0.980 177.607 176.600 0.045 0.000 0.867 1182 E CA 0.904 57.325 56.400 0.035 0.000 1.135 1182 E CB 0.464 30.183 29.700 0.032 0.000 1.147 1182 E HN 1.079 nan 8.360 nan 0.000 0.534 1183 I N -1.723 118.898 120.570 0.085 0.000 2.607 1183 I HA 0.462 4.634 4.170 0.004 0.000 0.290 1183 I C -0.143 176.087 176.117 0.187 0.000 1.129 1183 I CA -0.765 60.594 61.300 0.098 0.000 1.042 1183 I CB 2.335 40.383 38.000 0.079 0.000 1.242 1183 I HN -0.322 nan 8.210 nan 0.000 0.421 1184 Q N 2.748 122.640 119.800 0.153 0.000 2.392 1184 Q HA 0.375 4.718 4.340 0.004 0.000 0.219 1184 Q C -0.205 175.931 176.000 0.227 0.000 0.895 1184 Q CA 0.778 56.721 55.803 0.234 0.000 0.929 1184 Q CB 0.758 29.542 28.738 0.077 0.000 1.077 1184 Q HN 0.746 nan 8.270 nan 0.000 0.532 1185 E N -1.222 119.063 120.200 0.141 0.000 2.446 1185 E HA 0.598 4.950 4.350 0.004 0.000 0.269 1185 E C -1.393 175.257 176.600 0.084 0.000 0.977 1185 E CA -0.899 55.567 56.400 0.110 0.000 0.854 1185 E CB 2.550 32.311 29.700 0.102 0.000 1.545 1185 E HN -0.270 nan 8.360 nan 0.000 0.448 1186 V N 2.199 122.158 119.914 0.075 0.000 2.612 1186 V HA 0.310 4.432 4.120 0.004 0.000 0.301 1186 V C -2.537 173.599 176.094 0.070 0.000 1.059 1186 V CA -1.552 60.776 62.300 0.046 0.000 0.886 1186 V CB 1.890 33.720 31.823 0.011 0.000 1.007 1186 V HN 0.500 nan 8.190 nan 0.000 0.426 1187 P HA 0.326 nan 4.420 nan 0.000 0.281 1187 P C -0.933 176.319 177.300 -0.080 0.000 1.286 1187 P CA 0.065 63.154 63.100 -0.017 0.000 0.772 1187 P CB 2.026 33.505 31.700 -0.369 0.000 0.862 1188 V N 5.100 125.030 119.914 0.027 0.000 2.851 1188 V HA 0.323 4.445 4.120 0.004 0.000 0.307 1188 V C -0.316 175.786 176.094 0.013 0.000 1.129 1188 V CA -1.030 61.250 62.300 -0.035 0.000 0.932 1188 V CB 2.529 34.329 31.823 -0.037 0.000 1.024 1188 V HN 0.357 nan 8.190 nan 0.000 0.426 1189 R N 3.251 123.725 120.500 -0.044 0.000 2.488 1189 R HA 0.263 4.605 4.340 0.004 0.000 0.317 1189 R C -0.085 176.220 176.300 0.009 0.000 0.941 1189 R CA 0.434 56.526 56.100 -0.013 0.000 1.076 1189 R CB 0.464 30.727 30.300 -0.063 0.000 0.917 1189 R HN 0.729 nan 8.270 nan 0.000 0.407 1190 S N 3.345 119.074 115.700 0.048 0.000 2.548 1190 S HA 0.440 4.912 4.470 0.004 0.000 0.286 1190 S C -1.865 172.775 174.600 0.067 0.000 1.098 1190 S CA -1.765 56.468 58.200 0.055 0.000 0.930 1190 S CB 1.696 64.932 63.200 0.060 0.000 1.070 1190 S HN 0.229 nan 8.310 nan 0.000 0.480 1191 P HA -0.051 nan 4.420 nan 0.000 0.218 1191 P C 1.149 178.481 177.300 0.054 0.000 1.146 1191 P CA 0.982 64.132 63.100 0.084 0.000 0.813 1191 P CB 0.042 31.808 31.700 0.111 0.000 0.778 1192 L N -1.345 119.907 121.223 0.049 0.000 2.450 1192 L HA -0.071 4.271 4.340 0.004 0.000 0.224 1192 L C 1.177 178.060 176.870 0.022 0.000 1.149 1192 L CA 1.712 56.571 54.840 0.031 0.000 0.816 1192 L CB -0.983 41.093 42.059 0.028 0.000 0.932 1192 L HN 0.183 nan 8.230 nan 0.000 0.449 1193 T N -5.437 109.135 114.554 0.031 0.000 3.516 1193 T HA 0.154 4.506 4.350 0.004 0.000 0.300 1193 T C -0.021 174.697 174.700 0.031 0.000 0.995 1193 T CA -0.588 61.528 62.100 0.027 0.000 0.982 1193 T CB -0.599 68.292 68.868 0.039 0.000 1.199 1193 T HN 0.065 nan 8.240 nan 0.000 0.481 1194 C N 2.324 121.639 119.300 0.025 0.000 2.595 1194 C HA 0.459 4.921 4.460 0.004 0.000 0.384 1194 C C 2.028 177.021 174.990 0.005 0.000 1.289 1194 C CA 0.032 59.063 59.018 0.022 0.000 2.372 1194 C CB 1.139 28.895 27.740 0.026 0.000 2.593 1194 C HN 0.875 nan 8.230 nan 0.000 0.639 1195 Q N 1.189 120.991 119.800 0.004 0.000 2.324 1195 Q HA 0.090 4.433 4.340 0.004 0.000 0.207 1195 Q C 0.611 176.600 176.000 -0.020 0.000 0.928 1195 Q CA 0.502 56.301 55.803 -0.007 0.000 0.890 1195 Q CB -0.557 28.182 28.738 0.001 0.000 1.001 1195 Q HN 0.690 nan 8.270 nan 0.000 0.517 1196 T N 2.896 117.445 114.554 -0.008 0.000 2.708 1196 T HA 0.025 4.377 4.350 0.004 0.000 0.257 1196 T C 0.371 175.056 174.700 -0.025 0.000 1.002 1196 T CA 0.078 62.174 62.100 -0.006 0.000 1.269 1196 T CB 0.263 69.139 68.868 0.013 0.000 0.966 1196 T HN 0.296 nan 8.240 nan 0.000 0.534 1197 R N 2.557 123.013 120.500 -0.073 0.000 2.179 1197 R HA -0.158 4.185 4.340 0.004 0.000 0.238 1197 R C 0.421 176.608 176.300 -0.187 0.000 1.119 1197 R CA 1.698 57.686 56.100 -0.186 0.000 0.915 1197 R CB -0.344 29.811 30.300 -0.242 0.000 0.870 1197 R HN 0.658 nan 8.270 nan 0.000 0.432 1198 Y N 0.412 120.684 120.300 -0.046 0.000 2.491 1198 Y HA 0.450 5.002 4.550 0.003 0.000 0.334 1198 Y C 0.379 176.258 175.900 -0.034 0.000 0.969 1198 Y CA -0.335 57.739 58.100 -0.044 0.000 1.241 1198 Y CB 1.551 39.985 38.460 -0.043 0.000 1.105 1198 Y HN 0.459 nan 8.280 nan 0.000 0.503 1199 G N 1.181 110.079 108.800 0.163 0.000 2.362 1199 G HA2 0.152 4.114 3.960 0.004 0.000 0.656 1199 G HA3 0.152 4.114 3.960 0.004 0.000 0.656 1199 G C -2.185 172.738 174.900 0.039 0.000 1.376 1199 G CA -1.175 43.967 45.100 0.070 0.000 0.971 1199 G HN 0.414 nan 8.290 nan 0.000 0.636 1200 V N -0.134 119.789 119.914 0.015 0.000 2.735 1200 V HA 0.670 4.792 4.120 0.004 0.000 0.310 1200 V C 1.222 177.332 176.094 0.026 0.000 1.061 1200 V CA -0.321 61.992 62.300 0.021 0.000 0.913 1200 V CB 1.192 33.022 31.823 0.012 0.000 1.005 1200 V HN 1.749 nan 8.190 nan 0.000 0.428 1201 C N 2.292 121.616 119.300 0.040 0.000 2.396 1201 C HA 0.457 4.919 4.460 0.004 0.000 0.359 1201 C C 1.808 176.847 174.990 0.082 0.000 1.307 1201 C CA -0.243 58.796 59.018 0.036 0.000 2.392 1201 C CB 0.766 28.518 27.740 0.020 0.000 2.245 1201 C HN 1.039 nan 8.230 nan 0.000 0.615 1202 Q N 0.648 120.495 119.800 0.078 0.000 2.079 1202 Q HA -0.122 4.220 4.340 0.004 0.000 0.200 1202 Q C 1.893 177.997 176.000 0.173 0.000 0.974 1202 Q CA 1.559 57.452 55.803 0.150 0.000 0.840 1202 Q CB 0.026 28.839 28.738 0.126 0.000 0.898 1202 Q HN 0.719 nan 8.270 nan 0.000 0.430 1203 K N -0.300 120.138 120.400 0.063 0.000 2.228 1203 K HA -0.035 4.287 4.320 0.004 0.000 0.202 1203 K C 2.083 178.643 176.600 -0.066 0.000 1.051 1203 K CA 0.677 56.917 56.287 -0.078 0.000 0.960 1203 K CB -0.585 31.852 32.500 -0.106 0.000 0.743 1203 K HN 0.271 nan 8.250 nan 0.000 0.458 1204 C N 0.493 119.804 119.300 0.018 0.000 2.466 1204 C HA -0.054 4.409 4.460 0.004 0.000 0.278 1204 C C 2.543 177.586 174.990 0.088 0.000 1.288 1204 C CA 0.086 59.127 59.018 0.039 0.000 1.722 1204 C CB -0.723 27.055 27.740 0.064 0.000 2.017 1204 C HN 0.418 nan 8.230 nan 0.000 0.488 1205 Y N 1.310 121.612 120.300 0.003 0.000 2.090 1205 Y HA 0.342 4.894 4.550 0.004 0.000 0.274 1205 Y C 1.613 177.523 175.900 0.017 0.000 1.110 1205 Y CA 1.959 60.059 58.100 -0.000 0.000 1.092 1205 Y CB -0.786 37.683 38.460 0.015 0.000 0.992 1205 Y HN 0.399 nan 8.280 nan 0.000 0.479 1206 G N -2.622 106.161 108.800 -0.028 0.000 2.350 1206 G HA2 -0.165 3.797 3.960 0.004 0.000 0.085 1206 G HA3 -0.165 3.797 3.960 0.004 0.000 0.085 1206 G C 0.246 175.337 174.900 0.319 0.000 1.159 1206 G CA -0.009 45.094 45.100 0.004 0.000 1.146 1206 G HN 0.333 nan 8.290 nan 0.000 0.449 1207 Y N 0.479 120.803 120.300 0.041 0.000 2.269 1207 Y HA 0.266 4.818 4.550 0.003 0.000 0.279 1207 Y C 0.968 176.928 175.900 0.100 0.000 1.118 1207 Y CA 0.394 58.544 58.100 0.083 0.000 1.145 1207 Y CB 0.442 38.948 38.460 0.077 0.000 1.081 1207 Y HN 0.314 nan 8.280 nan 0.000 0.501 1208 D N 2.417 122.988 120.400 0.284 0.000 2.422 1208 D HA 0.005 4.647 4.640 0.004 0.000 0.283 1208 D C -0.319 176.107 176.300 0.210 0.000 1.428 1208 D CA 0.625 54.752 54.000 0.211 0.000 1.117 1208 D CB -0.414 40.518 40.800 0.220 0.000 1.120 1208 D HN 0.169 nan 8.370 nan 0.000 0.543 1209 L N 1.564 122.873 121.223 0.142 0.000 2.569 1209 L HA 0.164 4.506 4.340 0.004 0.000 0.247 1209 L C 1.715 178.637 176.870 0.087 0.000 1.135 1209 L CA -0.434 54.481 54.840 0.125 0.000 0.812 1209 L CB 0.961 43.067 42.059 0.078 0.000 1.431 1209 L HN 0.186 nan 8.230 nan 0.000 0.499 1210 S N 0.293 116.025 115.700 0.053 0.000 2.419 1210 S HA -0.116 4.356 4.470 0.004 0.000 0.235 1210 S C 1.021 175.641 174.600 0.033 0.000 1.019 1210 S CA 0.854 59.066 58.200 0.019 0.000 0.982 1210 S CB -0.139 63.051 63.200 -0.016 0.000 0.789 1210 S HN 0.405 nan 8.310 nan 0.000 0.490 1211 M N 0.556 120.187 119.600 0.052 0.000 2.202 1211 M HA 0.326 4.808 4.480 0.004 0.000 0.316 1211 M C 1.058 177.383 176.300 0.042 0.000 1.138 1211 M CA 0.297 55.648 55.300 0.086 0.000 1.151 1211 M CB 1.057 33.678 32.600 0.035 0.000 1.422 1211 M HN 0.194 nan 8.290 nan 0.000 0.471 1212 A N 2.797 125.634 122.820 0.028 0.000 2.218 1212 A HA 0.060 4.382 4.320 0.004 0.000 0.209 1212 A C 0.657 177.676 177.584 -0.941 0.000 1.168 1212 A CA 0.139 52.017 52.037 -0.264 0.000 0.804 1212 A CB -0.131 18.804 19.000 -0.109 0.000 0.834 1212 A HN 0.816 nan 8.150 nan 0.000 0.482 1213 R N -0.452 119.714 120.500 -0.556 0.000 2.541 1213 R HA 0.548 4.890 4.340 0.004 0.000 0.263 1213 R C -3.011 173.107 176.300 -0.304 0.000 1.112 1213 R CA -1.744 54.051 56.100 -0.507 0.000 1.170 1213 R CB -1.004 29.156 30.300 -0.232 0.000 1.167 1213 R HN -0.124 nan 8.270 nan 0.000 0.582 1214 P HA -0.137 nan 4.420 nan 0.000 0.269 1214 P C -0.662 176.629 177.300 -0.014 0.000 1.200 1214 P CA 0.067 63.047 63.100 -0.200 0.000 0.779 1214 P CB 0.217 31.402 31.700 -0.858 0.000 0.841 1215 V N 2.438 122.436 119.914 0.140 0.000 2.585 1215 V HA -0.010 4.112 4.120 0.004 0.000 0.296 1215 V C 0.627 176.779 176.094 0.096 0.000 1.035 1215 V CA 0.601 63.002 62.300 0.168 0.000 1.084 1215 V CB 0.112 32.131 31.823 0.326 0.000 0.953 1215 V HN 0.500 nan 8.190 nan 0.000 0.483 1216 S N 5.717 121.461 115.700 0.072 0.000 2.489 1216 S HA 0.480 4.952 4.470 0.004 0.000 0.277 1216 S C 0.101 174.730 174.600 0.047 0.000 1.230 1216 S CA -0.472 57.761 58.200 0.055 0.000 1.053 1216 S CB 0.520 63.757 63.200 0.062 0.000 0.955 1216 S HN 0.503 nan 8.310 nan 0.000 0.488 1217 I N 2.387 122.959 120.570 0.004 0.000 2.845 1217 I HA 0.116 4.288 4.170 0.004 0.000 0.296 1217 I C 1.387 177.531 176.117 0.044 0.000 1.216 1217 I CA 0.859 62.136 61.300 -0.038 0.000 1.438 1217 I CB -0.082 37.764 38.000 -0.257 0.000 1.342 1217 I HN 0.993 nan 8.210 nan 0.000 0.577 1218 G N 4.063 112.883 108.800 0.033 0.000 2.130 1218 G HA2 -0.232 3.731 3.960 0.004 0.000 0.216 1218 G HA3 -0.232 3.731 3.960 0.004 0.000 0.216 1218 G C -0.071 174.853 174.900 0.039 0.000 0.999 1218 G CA 0.057 45.190 45.100 0.056 0.000 0.686 1218 G HN 0.817 nan 8.290 nan 0.000 0.515 1219 E N 0.053 120.264 120.200 0.017 0.000 2.231 1219 E HA 0.709 5.061 4.350 0.004 0.000 0.277 1219 E C 0.574 177.155 176.600 -0.032 0.000 0.999 1219 E CA -0.381 56.022 56.400 0.005 0.000 0.827 1219 E CB 1.305 31.014 29.700 0.015 0.000 1.101 1219 E HN 0.798 nan 8.360 nan 0.000 0.393 1220 A N 5.080 127.886 122.820 -0.024 0.000 3.037 1220 A HA 0.208 4.530 4.320 0.004 0.000 0.272 1220 A C 0.827 178.371 177.584 -0.066 0.000 1.723 1220 A CA -0.463 51.553 52.037 -0.036 0.000 1.413 1220 A CB -0.506 18.486 19.000 -0.012 0.000 1.112 1220 A HN 0.572 nan 8.150 nan 0.000 0.606 1221 V N 2.356 122.177 119.914 -0.154 0.000 2.220 1221 V HA -0.239 3.883 4.120 0.004 0.000 0.242 1221 V C 2.952 178.976 176.094 -0.117 0.000 1.041 1221 V CA 2.605 64.748 62.300 -0.262 0.000 0.990 1221 V CB -1.449 29.956 31.823 -0.698 0.000 0.634 1221 V HN 0.777 nan 8.190 nan 0.000 0.452 1222 G N 0.285 109.018 108.800 -0.112 0.000 2.816 1222 G HA2 -0.389 3.573 3.960 0.004 0.000 0.229 1222 G HA3 -0.389 3.573 3.960 0.004 0.000 0.229 1222 G C 1.397 176.305 174.900 0.014 0.000 1.158 1222 G CA 2.103 47.192 45.100 -0.018 0.000 0.761 1222 G HN 0.466 nan 8.290 nan 0.000 0.636 1223 I N 0.488 121.059 120.570 0.002 0.000 2.068 1223 I HA -0.238 3.934 4.170 0.004 0.000 0.238 1223 I C 2.943 179.057 176.117 -0.005 0.000 1.046 1223 I CA 1.331 62.633 61.300 0.004 0.000 1.306 1223 I CB -1.109 36.892 38.000 0.002 0.000 1.023 1223 I HN 0.106 nan 8.210 nan 0.000 0.399 1224 V N 0.903 120.818 119.914 0.001 0.000 2.313 1224 V HA -0.411 3.711 4.120 0.004 0.000 0.253 1224 V C 2.662 178.710 176.094 -0.076 0.000 1.070 1224 V CA 2.291 64.589 62.300 -0.003 0.000 1.057 1224 V CB -1.449 30.410 31.823 0.059 0.000 0.653 1224 V HN 0.600 nan 8.190 nan 0.000 0.450 1225 A N -0.279 122.551 122.820 0.018 0.000 1.858 1225 A HA -0.130 4.193 4.320 0.004 0.000 0.216 1225 A C 2.463 179.990 177.584 -0.095 0.000 1.190 1225 A CA 2.363 54.394 52.037 -0.010 0.000 0.617 1225 A CB -0.998 18.181 19.000 0.299 0.000 0.827 1225 A HN 0.632 nan 8.150 nan 0.000 0.443 1226 A N -0.644 122.153 122.820 -0.037 0.000 1.883 1226 A HA -0.253 4.069 4.320 0.004 0.000 0.217 1226 A C 2.142 179.662 177.584 -0.106 0.000 1.186 1226 A CA 1.779 53.772 52.037 -0.074 0.000 0.624 1226 A CB -0.691 18.284 19.000 -0.043 0.000 0.822 1226 A HN 0.661 nan 8.150 nan 0.000 0.444 1227 Q N -0.161 119.590 119.800 -0.081 0.000 2.124 1227 Q HA -0.166 4.176 4.340 0.004 0.000 0.202 1227 Q C 2.481 178.429 176.000 -0.085 0.000 0.977 1227 Q CA 1.868 57.630 55.803 -0.067 0.000 0.850 1227 Q CB -0.437 28.291 28.738 -0.017 0.000 0.901 1227 Q HN 0.833 nan 8.270 nan 0.000 0.429 1228 S N 0.489 116.105 115.700 -0.140 0.000 2.402 1228 S HA -0.076 4.396 4.470 0.004 0.000 0.229 1228 S C 1.890 176.406 174.600 -0.140 0.000 1.021 1228 S CA 0.654 58.754 58.200 -0.168 0.000 0.974 1228 S CB -0.237 62.723 63.200 -0.400 0.000 0.800 1228 S HN 0.324 nan 8.310 nan 0.000 0.484 1229 I N 1.328 121.799 120.570 -0.164 0.000 2.852 1229 I HA 0.130 4.302 4.170 0.004 0.000 0.264 1229 I C 2.726 178.789 176.117 -0.089 0.000 1.179 1229 I CA 0.651 61.854 61.300 -0.162 0.000 1.480 1229 I CB -0.700 37.125 38.000 -0.291 0.000 1.111 1229 I HN 0.474 nan 8.210 nan 0.000 0.441 1230 G N 0.536 109.267 108.800 -0.114 0.000 2.404 1230 G HA2 -0.232 3.730 3.960 0.004 0.000 0.214 1230 G HA3 -0.232 3.730 3.960 0.004 0.000 0.214 1230 G C 1.495 176.354 174.900 -0.070 0.000 1.189 1230 G CA 0.431 45.474 45.100 -0.095 0.000 0.789 1230 G HN 0.341 nan 8.290 nan 0.000 0.533 1231 E N 0.958 121.100 120.200 -0.097 0.000 2.033 1231 E HA -0.146 4.206 4.350 0.004 0.000 0.199 1231 E C 0.006 176.581 176.600 -0.042 0.000 1.011 1231 E CA 1.403 57.727 56.400 -0.127 0.000 0.815 1231 E CB -0.641 28.919 29.700 -0.232 0.000 0.755 1231 E HN 0.219 nan 8.360 nan 0.000 0.451 1232 P HA -0.137 nan 4.420 nan 0.000 0.217 1232 P C 1.119 178.464 177.300 0.074 0.000 1.148 1232 P CA 2.055 65.211 63.100 0.093 0.000 0.828 1232 P CB -0.372 31.456 31.700 0.213 0.000 0.783 1233 G N -1.128 107.712 108.800 0.066 0.000 2.394 1233 G HA2 -0.172 3.790 3.960 0.004 0.000 0.215 1233 G HA3 -0.172 3.790 3.960 0.004 0.000 0.215 1233 G C 1.269 176.165 174.900 -0.007 0.000 1.165 1233 G CA 1.313 46.421 45.100 0.013 0.000 0.784 1233 G HN 0.327 nan 8.290 nan 0.000 0.535 1234 T N -2.124 112.422 114.554 -0.013 0.000 3.148 1234 T HA 0.150 4.503 4.350 0.004 0.000 0.253 1234 T C 1.806 176.505 174.700 -0.001 0.000 1.134 1234 T CA 0.748 62.840 62.100 -0.013 0.000 1.051 1234 T CB 0.493 69.339 68.868 -0.037 0.000 0.959 1234 T HN 0.202 nan 8.240 nan 0.000 0.525 1235 Q N 0.381 120.181 119.800 0.000 0.000 2.423 1235 Q HA 0.287 4.629 4.340 0.004 0.000 0.231 1235 Q C 1.909 177.921 176.000 0.021 0.000 0.894 1235 Q CA 0.420 56.228 55.803 0.009 0.000 0.938 1235 Q CB 0.184 28.923 28.738 0.002 0.000 1.079 1235 Q HN 0.556 nan 8.270 nan 0.000 0.552 1236 L N -0.081 121.150 121.223 0.014 0.000 2.354 1236 L HA 0.057 4.399 4.340 0.004 0.000 0.212 1236 L C 2.044 178.931 176.870 0.028 0.000 1.091 1236 L CA 1.164 56.010 54.840 0.010 0.000 0.828 1236 L CB -0.454 41.597 42.059 -0.013 0.000 0.973 1236 L HN 0.042 nan 8.230 nan 0.000 0.461 1237 T N -0.453 114.128 114.554 0.045 0.000 2.857 1237 T HA -0.049 4.303 4.350 0.004 0.000 0.266 1237 T C 1.972 176.809 174.700 0.229 0.000 1.048 1237 T CA 0.990 63.145 62.100 0.093 0.000 1.139 1237 T CB -0.068 68.836 68.868 0.061 0.000 0.874 1237 T HN 0.159 nan 8.240 nan 0.000 0.455 1238 M N 0.536 120.260 119.600 0.207 0.000 2.319 1238 M HA 0.115 4.597 4.480 0.004 0.000 0.265 1238 M C 2.363 178.630 176.300 -0.056 0.000 1.068 1238 M CA 1.021 56.505 55.300 0.307 0.000 1.118 1238 M CB -0.464 32.276 32.600 0.234 0.000 1.395 1238 M HN 0.117 nan 8.290 nan 0.000 0.435 1239 R N -0.271 120.219 120.500 -0.017 0.000 2.280 1239 R HA 0.030 4.373 4.340 0.004 0.000 0.195 1239 R C 1.359 177.592 176.300 -0.111 0.000 0.935 1239 R CA 0.723 56.783 56.100 -0.067 0.000 1.033 1239 R CB 0.296 30.585 30.300 -0.018 0.000 0.964 1239 R HN 0.242 nan 8.270 nan 0.000 0.489 1240 T N 0.090 114.604 114.554 -0.067 0.000 3.039 1240 T HA -0.031 4.321 4.350 0.004 0.000 0.250 1240 T C 1.194 175.888 174.700 -0.010 0.000 1.052 1240 T CA 0.396 62.483 62.100 -0.022 0.000 1.125 1240 T CB -0.059 68.826 68.868 0.029 0.000 0.908 1240 T HN 0.339 nan 8.240 nan 0.000 0.473 1241 F N 0.673 120.611 119.950 -0.021 0.000 2.367 1241 F HA 0.238 4.767 4.527 0.003 0.000 0.298 1241 F C 1.981 177.787 175.800 0.010 0.000 1.094 1241 F CA 0.647 58.624 58.000 -0.039 0.000 1.409 1241 F CB -0.893 38.041 39.000 -0.109 0.000 1.064 1241 F HN 0.227 nan 8.300 nan 0.000 0.528 1242 H N 0.101 118.589 119.070 -0.970 0.000 2.428 1242 H HA -0.011 4.547 4.556 0.003 0.000 0.296 1242 H C 1.352 176.500 175.328 -0.299 0.000 1.062 1242 H CA 1.475 57.050 56.048 -0.788 0.000 1.350 1242 H CB 0.290 29.518 29.762 -0.891 0.000 1.403 1242 H HN 0.463 nan 8.280 nan 0.000 0.533 1243 T N -5.104 109.403 114.554 -0.078 0.000 3.087 1243 T HA 0.302 4.654 4.350 0.004 0.000 0.283 1243 T C 1.284 175.973 174.700 -0.017 0.000 0.956 1243 T CA 0.310 62.385 62.100 -0.042 0.000 0.894 1243 T CB 1.084 69.916 68.868 -0.060 0.000 1.160 1243 T HN 0.271 nan 8.240 nan 0.000 0.532 1244 G N -0.817 107.983 108.800 -0.001 0.000 4.225 1244 G HA2 0.559 4.521 3.960 0.004 0.000 0.177 1244 G HA3 0.559 4.521 3.960 0.004 0.000 0.177 1244 G C 0.408 175.318 174.900 0.016 0.000 0.949 1244 G CA 0.185 45.286 45.100 0.001 0.000 0.796 1244 G HN 0.956 nan 8.290 nan 0.000 0.504 1245 G N -0.730 108.088 108.800 0.031 0.000 2.593 1245 G HA2 0.434 4.396 3.960 0.004 0.000 0.103 1245 G HA3 0.434 4.396 3.960 0.004 0.000 0.103 1245 G C 0.128 175.052 174.900 0.041 0.000 1.103 1245 G CA 0.686 45.807 45.100 0.035 0.000 1.109 1245 G HN 0.600 nan 8.290 nan 0.000 0.516 1246 V N 0.811 120.746 119.914 0.035 0.000 2.906 1246 V HA 0.443 4.566 4.120 0.004 0.000 0.221 1246 V C 3.140 179.250 176.094 0.026 0.000 1.147 1246 V CA 2.046 64.366 62.300 0.035 0.000 1.235 1246 V CB -0.833 31.011 31.823 0.035 0.000 1.000 1246 V HN 1.199 nan 8.190 nan 0.000 0.510 1247 A N 1.106 123.938 122.820 0.021 0.000 1.896 1247 A HA -0.233 4.089 4.320 0.004 0.000 0.220 1247 A C 2.319 179.910 177.584 0.012 0.000 1.206 1247 A CA 2.759 54.805 52.037 0.014 0.000 0.647 1247 A CB -1.651 17.355 19.000 0.010 0.000 0.828 1247 A HN 0.725 nan 8.150 nan 0.000 0.455 1248 G N -0.886 107.921 108.800 0.011 0.000 2.469 1248 G HA2 -0.065 3.897 3.960 0.004 0.000 0.220 1248 G HA3 -0.065 3.897 3.960 0.004 0.000 0.220 1248 G C 1.709 176.618 174.900 0.015 0.000 1.136 1248 G CA 1.684 46.790 45.100 0.009 0.000 0.759 1248 G HN 0.970 nan 8.290 nan 0.000 0.562 1249 A N 1.052 123.886 122.820 0.023 0.000 1.902 1249 A HA 0.277 4.599 4.320 0.004 0.000 0.217 1249 A C 2.823 180.416 177.584 0.016 0.000 1.181 1249 A CA 2.249 54.302 52.037 0.028 0.000 0.623 1249 A CB -0.736 18.284 19.000 0.034 0.000 0.818 1249 A HN 0.802 nan 8.150 nan 0.000 0.443 1250 A N -0.503 122.324 122.820 0.013 0.000 1.898 1250 A HA -0.166 4.156 4.320 0.004 0.000 0.216 1250 A C 1.922 179.506 177.584 -0.001 0.000 1.181 1250 A CA 1.681 53.722 52.037 0.007 0.000 0.620 1250 A CB -0.570 18.435 19.000 0.009 0.000 0.819 1250 A HN 0.501 nan 8.150 nan 0.000 0.442 1251 D N 0.389 120.787 120.400 -0.003 0.000 2.103 1251 D HA -0.185 4.457 4.640 0.004 0.000 0.190 1251 D C 2.046 178.330 176.300 -0.026 0.000 0.997 1251 D CA 2.147 56.139 54.000 -0.014 0.000 0.833 1251 D CB -0.266 40.527 40.800 -0.013 0.000 0.961 1251 D HN 0.622 nan 8.370 nan 0.000 0.447 1252 I N -0.813 119.747 120.570 -0.018 0.000 2.179 1252 I HA -0.192 3.980 4.170 0.004 0.000 0.242 1252 I C 2.192 178.294 176.117 -0.026 0.000 1.088 1252 I CA 1.346 62.632 61.300 -0.024 0.000 1.357 1252 I CB -1.105 36.896 38.000 0.002 0.000 1.051 1252 I HN -0.181 nan 8.210 nan 0.000 0.409 1253 T N 0.164 114.710 114.554 -0.014 0.000 2.867 1253 T HA -0.122 4.230 4.350 0.004 0.000 0.268 1253 T C 1.873 176.562 174.700 -0.018 0.000 1.057 1253 T CA 1.355 63.445 62.100 -0.016 0.000 1.136 1253 T CB -0.205 68.656 68.868 -0.011 0.000 0.874 1253 T HN 0.314 nan 8.240 nan 0.000 0.466 1254 Q N 0.766 120.556 119.800 -0.017 0.000 2.119 1254 Q HA 0.096 4.438 4.340 0.004 0.000 0.201 1254 Q C 2.495 178.480 176.000 -0.024 0.000 0.972 1254 Q CA 1.514 57.308 55.803 -0.015 0.000 0.847 1254 Q CB -0.928 27.804 28.738 -0.010 0.000 0.903 1254 Q HN 0.568 nan 8.270 nan 0.000 0.433 1255 G N -0.134 108.638 108.800 -0.047 0.000 2.434 1255 G HA2 -0.227 3.735 3.960 0.004 0.000 0.214 1255 G HA3 -0.227 3.735 3.960 0.004 0.000 0.214 1255 G C 1.248 176.107 174.900 -0.069 0.000 1.202 1255 G CA 0.764 45.814 45.100 -0.083 0.000 0.788 1255 G HN 0.282 nan 8.290 nan 0.000 0.539 1256 L N 1.378 122.565 121.223 -0.060 0.000 1.997 1256 L HA -0.078 4.264 4.340 0.004 0.000 0.216 1256 L C 0.331 177.200 176.870 -0.000 0.000 1.074 1256 L CA 2.154 56.974 54.840 -0.033 0.000 0.763 1256 L CB -1.137 40.904 42.059 -0.031 0.000 0.890 1256 L HN 0.164 nan 8.230 nan 0.000 0.434 1257 P HA -0.175 nan 4.420 nan 0.000 0.215 1257 P C 1.598 178.921 177.300 0.037 0.000 1.157 1257 P CA 1.168 64.277 63.100 0.014 0.000 0.868 1257 P CB 0.029 31.732 31.700 0.004 0.000 0.788 1258 R N -0.220 120.298 120.500 0.030 0.000 2.120 1258 R HA -0.079 4.263 4.340 0.004 0.000 0.234 1258 R C 1.711 178.073 176.300 0.103 0.000 1.123 1258 R CA 1.395 57.524 56.100 0.048 0.000 0.975 1258 R CB -1.428 28.888 30.300 0.028 0.000 0.866 1258 R HN 0.042 nan 8.270 nan 0.000 0.446 1259 V N -0.026 119.960 119.914 0.120 0.000 2.871 1259 V HA -0.084 4.039 4.120 0.004 0.000 0.256 1259 V C 1.888 178.154 176.094 0.288 0.000 1.082 1259 V CA 0.947 63.407 62.300 0.267 0.000 1.105 1259 V CB -0.378 31.615 31.823 0.283 0.000 0.713 1259 V HN 0.144 nan 8.190 nan 0.000 0.473 1260 I N 0.131 120.801 120.570 0.166 0.000 2.500 1260 I HA -0.105 4.067 4.170 0.004 0.000 0.252 1260 I C 2.383 178.603 176.117 0.172 0.000 1.142 1260 I CA 1.367 62.764 61.300 0.163 0.000 1.451 1260 I CB -0.253 37.807 38.000 0.101 0.000 1.093 1260 I HN 0.301 nan 8.210 nan 0.000 0.430 1261 E N -0.633 119.646 120.200 0.132 0.000 2.285 1261 E HA -0.120 4.232 4.350 0.004 0.000 0.194 1261 E C 1.811 178.469 176.600 0.096 0.000 0.997 1261 E CA 0.526 56.987 56.400 0.102 0.000 0.845 1261 E CB 0.090 29.831 29.700 0.068 0.000 0.782 1261 E HN 0.222 nan 8.360 nan 0.000 0.491 1262 L N -0.611 120.686 121.223 0.123 0.000 2.270 1262 L HA 0.021 4.363 4.340 0.004 0.000 0.210 1262 L C 1.533 178.365 176.870 -0.063 0.000 1.104 1262 L CA 1.269 56.118 54.840 0.015 0.000 0.804 1262 L CB -0.239 41.817 42.059 -0.005 0.000 0.937 1262 L HN 0.064 nan 8.230 nan 0.000 0.450 1263 F N -0.456 119.520 119.950 0.043 0.000 2.270 1263 F HA 0.046 4.575 4.527 0.003 0.000 0.295 1263 F C 1.506 177.329 175.800 0.038 0.000 1.087 1263 F CA 0.416 58.438 58.000 0.036 0.000 1.365 1263 F CB 0.043 39.066 39.000 0.038 0.000 1.056 1263 F HN -0.048 nan 8.300 nan 0.000 0.506 1264 E N 1.119 121.442 120.200 0.204 0.000 2.200 1264 E HA 0.438 4.790 4.350 0.004 0.000 0.283 1264 E C -0.648 176.009 176.600 0.094 0.000 1.015 1264 E CA -0.521 55.964 56.400 0.142 0.000 0.819 1264 E CB 1.224 31.017 29.700 0.156 0.000 1.081 1264 E HN 0.073 nan 8.360 nan 0.000 0.397 1265 A N 5.460 128.323 122.820 0.072 0.000 2.366 1265 A HA 0.443 4.765 4.320 0.004 0.000 0.272 1265 A C 0.091 177.746 177.584 0.118 0.000 1.135 1265 A CA -0.106 51.968 52.037 0.062 0.000 0.804 1265 A CB 0.533 19.534 19.000 0.002 0.000 1.064 1265 A HN 0.734 nan 8.150 nan 0.000 0.499 1266 R N 0.973 121.539 120.500 0.110 0.000 2.752 1266 R HA 0.274 4.616 4.340 0.004 0.000 0.277 1266 R C -0.894 175.463 176.300 0.095 0.000 1.024 1266 R CA -0.890 55.278 56.100 0.113 0.000 0.866 1266 R CB 0.924 31.276 30.300 0.087 0.000 1.278 1266 R HN 0.864 nan 8.270 nan 0.000 0.473 1267 R N 2.636 123.183 120.500 0.078 0.000 2.413 1267 R HA 0.184 4.526 4.340 0.004 0.000 0.333 1267 R C -2.030 174.302 176.300 0.054 0.000 1.074 1267 R CA -0.916 55.222 56.100 0.063 0.000 0.982 1267 R CB 0.231 30.558 30.300 0.045 0.000 0.981 1267 R HN 0.225 nan 8.270 nan 0.000 0.452 1268 P HA -0.110 nan 4.420 nan 0.000 0.270 1268 P C 0.024 177.346 177.300 0.037 0.000 1.221 1268 P CA -0.222 62.906 63.100 0.047 0.000 0.788 1268 P CB 0.714 32.445 31.700 0.051 0.000 0.904 1269 K N 1.581 121.999 120.400 0.030 0.000 1.975 1269 K HA -0.175 4.147 4.320 0.004 0.000 0.225 1269 K C 0.523 177.138 176.600 0.024 0.000 1.050 1269 K CA 1.803 58.104 56.287 0.023 0.000 0.992 1269 K CB -0.810 31.701 32.500 0.018 0.000 0.738 1269 K HN 0.563 nan 8.250 nan 0.000 0.446 1270 A N 2.083 124.918 122.820 0.025 0.000 2.343 1270 A HA 0.188 4.510 4.320 0.004 0.000 0.305 1270 A C -0.225 177.379 177.584 0.033 0.000 1.308 1270 A CA -0.365 51.688 52.037 0.026 0.000 0.949 1270 A CB 0.388 19.403 19.000 0.024 0.000 1.148 1270 A HN 0.474 nan 8.150 nan 0.000 0.545 1330 I N 0.906 121.560 120.570 0.141 0.000 2.644 1330 I HA 0.379 4.551 4.170 0.004 0.000 0.291 1330 I C -1.002 175.221 176.117 0.177 0.000 1.180 1330 I CA -0.130 61.260 61.300 0.150 0.000 1.040 1330 I CB 2.205 40.306 38.000 0.168 0.000 1.255 1330 I HN 0.625 nan 8.210 nan 0.000 0.422 1331 D N 7.327 127.802 120.400 0.125 0.000 2.343 1331 D HA 0.274 4.916 4.640 0.004 0.000 0.255 1331 D C -1.796 174.591 176.300 0.145 0.000 1.187 1331 D CA -1.912 52.163 54.000 0.126 0.000 0.875 1331 D CB 1.726 42.585 40.800 0.098 0.000 1.136 1331 D HN 0.168 nan 8.370 nan 0.000 0.469 1332 P HA -0.207 nan 4.420 nan 0.000 0.213 1332 P C 1.318 178.667 177.300 0.082 0.000 1.176 1332 P CA 1.229 64.407 63.100 0.130 0.000 0.919 1332 P CB 0.038 31.780 31.700 0.070 0.000 0.791 1333 H N -0.625 118.475 119.070 0.049 0.000 2.267 1333 H HA -0.205 4.353 4.556 0.004 0.000 0.291 1333 H C 2.101 177.443 175.328 0.022 0.000 1.094 1333 H CA 1.820 57.888 56.048 0.032 0.000 1.227 1333 H CB -0.727 29.052 29.762 0.027 0.000 1.351 1333 H HN 0.156 nan 8.280 nan 0.000 0.483 1334 Q N 0.510 120.413 119.800 0.171 0.000 2.061 1334 Q HA -0.145 4.197 4.340 0.004 0.000 0.204 1334 Q C 2.736 178.762 176.000 0.044 0.000 0.984 1334 Q CA 1.277 57.132 55.803 0.086 0.000 0.846 1334 Q CB -0.586 28.188 28.738 0.059 0.000 0.902 1334 Q HN 0.412 nan 8.270 nan 0.000 0.421 1335 L N 0.805 122.045 121.223 0.028 0.000 2.079 1335 L HA -0.218 4.124 4.340 0.004 0.000 0.210 1335 L C 2.392 179.244 176.870 -0.029 0.000 1.081 1335 L CA 1.139 55.957 54.840 -0.036 0.000 0.752 1335 L CB -0.394 41.618 42.059 -0.078 0.000 0.896 1335 L HN 0.262 nan 8.230 nan 0.000 0.433 1336 L N -0.340 120.885 121.223 0.004 0.000 2.017 1336 L HA -0.211 4.131 4.340 0.004 0.000 0.208 1336 L C 2.270 179.145 176.870 0.008 0.000 1.073 1336 L CA 1.935 56.774 54.840 -0.001 0.000 0.745 1336 L CB -0.714 41.339 42.059 -0.010 0.000 0.894 1336 L HN 0.236 nan 8.230 nan 0.000 0.432 1337 E N -0.099 120.118 120.200 0.029 0.000 2.051 1337 E HA -0.144 4.208 4.350 0.004 0.000 0.192 1337 E C 2.123 178.727 176.600 0.007 0.000 0.991 1337 E CA 1.742 58.159 56.400 0.028 0.000 0.799 1337 E CB -0.414 29.312 29.700 0.043 0.000 0.748 1337 E HN 0.675 nan 8.360 nan 0.000 0.449 1338 A N 0.172 122.989 122.820 -0.004 0.000 1.843 1338 A HA -0.076 4.246 4.320 0.004 0.000 0.213 1338 A C 2.043 179.609 177.584 -0.029 0.000 1.202 1338 A CA 1.577 53.604 52.037 -0.018 0.000 0.607 1338 A CB -0.252 18.734 19.000 -0.025 0.000 0.847 1338 A HN 0.092 nan 8.150 nan 0.000 0.445 1339 K N -1.784 118.589 120.400 -0.046 0.000 2.352 1339 K HA 0.346 4.669 4.320 0.004 0.000 0.194 1339 K C 0.505 177.081 176.600 -0.040 0.000 1.038 1339 K CA 0.750 57.005 56.287 -0.055 0.000 1.023 1339 K CB 0.228 32.672 32.500 -0.094 0.000 0.840 1339 K HN 0.815 nan 8.250 nan 0.000 0.519 1340 G N -0.135 108.648 108.800 -0.028 0.000 2.555 1340 G HA2 -0.140 3.822 3.960 0.004 0.000 0.686 1340 G HA3 -0.140 3.822 3.960 0.004 0.000 0.686 1340 G C -2.697 172.196 174.900 -0.012 0.000 1.275 1340 G CA -0.610 44.481 45.100 -0.015 0.000 0.871 1340 G HN -0.086 nan 8.290 nan 0.000 0.603 1341 P HA 0.110 nan 4.420 nan 0.000 0.215 1341 P C 1.509 178.808 177.300 -0.002 0.000 1.160 1341 P CA 1.324 64.423 63.100 -0.002 0.000 0.869 1341 P CB 0.137 31.837 31.700 0.000 0.000 0.782 1342 E N -0.045 120.151 120.200 -0.008 0.000 2.333 1342 E HA -0.152 4.200 4.350 0.004 0.000 0.200 1342 E C 1.813 178.411 176.600 -0.005 0.000 1.010 1342 E CA 1.418 57.810 56.400 -0.014 0.000 0.841 1342 E CB -1.077 28.605 29.700 -0.030 0.000 0.757 1342 E HN 0.246 nan 8.360 nan 0.000 0.508 1343 A N 0.262 123.080 122.820 -0.004 0.000 1.901 1343 A HA 0.023 4.345 4.320 0.004 0.000 0.210 1343 A C 2.521 180.125 177.584 0.034 0.000 1.208 1343 A CA 0.593 52.630 52.037 -0.001 0.000 0.644 1343 A CB -0.372 18.608 19.000 -0.035 0.000 0.863 1343 A HN 0.120 nan 8.150 nan 0.000 0.454 1344 V N 0.210 120.141 119.914 0.028 0.000 2.237 1344 V HA -0.299 3.823 4.120 0.004 0.000 0.245 1344 V C 2.465 178.616 176.094 0.095 0.000 1.046 1344 V CA 2.516 64.866 62.300 0.084 0.000 1.007 1344 V CB -0.823 31.024 31.823 0.039 0.000 0.638 1344 V HN 0.698 nan 8.190 nan 0.000 0.445 1345 E N -0.151 120.072 120.200 0.039 0.000 2.068 1345 E HA -0.334 4.018 4.350 0.004 0.000 0.207 1345 E C 2.365 178.985 176.600 0.033 0.000 1.032 1345 E CA 2.199 58.611 56.400 0.019 0.000 0.839 1345 E CB -0.209 29.496 29.700 0.008 0.000 0.758 1345 E HN 0.325 nan 8.360 nan 0.000 0.457 1346 R N -1.002 119.528 120.500 0.050 0.000 2.152 1346 R HA -0.155 4.187 4.340 0.004 0.000 0.232 1346 R C 2.076 178.442 176.300 0.110 0.000 1.117 1346 R CA 1.239 57.375 56.100 0.060 0.000 0.981 1346 R CB -0.449 29.883 30.300 0.053 0.000 0.870 1346 R HN 0.325 nan 8.270 nan 0.000 0.451 1347 Y N -0.269 120.020 120.300 -0.019 0.000 2.153 1347 Y HA -0.122 4.430 4.550 0.003 0.000 0.289 1347 Y C 1.518 177.401 175.900 -0.028 0.000 1.127 1347 Y CA 1.303 59.393 58.100 -0.017 0.000 1.131 1347 Y CB -0.504 37.946 38.460 -0.016 0.000 0.995 1347 Y HN -0.010 nan 8.280 nan 0.000 0.505 1348 L N -0.471 120.720 121.223 -0.054 0.000 1.990 1348 L HA -0.224 4.118 4.340 0.004 0.000 0.213 1348 L C 2.602 179.356 176.870 -0.194 0.000 1.072 1348 L CA 1.618 56.335 54.840 -0.204 0.000 0.755 1348 L CB -1.574 40.394 42.059 -0.151 0.000 0.889 1348 L HN 0.155 nan 8.230 nan 0.000 0.432 1349 V N -0.657 119.192 119.914 -0.109 0.000 2.219 1349 V HA -0.335 3.787 4.120 0.004 0.000 0.248 1349 V C 2.562 178.622 176.094 -0.057 0.000 1.053 1349 V CA 2.037 64.292 62.300 -0.075 0.000 1.009 1349 V CB -0.567 31.245 31.823 -0.019 0.000 0.636 1349 V HN 0.366 nan 8.190 nan 0.000 0.445 1350 E N -0.265 119.913 120.200 -0.037 0.000 2.077 1350 E HA -0.226 4.126 4.350 0.004 0.000 0.193 1350 E C 2.160 178.729 176.600 -0.053 0.000 0.989 1350 E CA 1.355 57.745 56.400 -0.018 0.000 0.800 1350 E CB -0.260 29.452 29.700 0.019 0.000 0.746 1350 E HN 0.620 nan 8.360 nan 0.000 0.452 1351 E N -0.091 120.012 120.200 -0.162 0.000 2.204 1351 E HA -0.101 4.251 4.350 0.004 0.000 0.195 1351 E C 1.700 178.245 176.600 -0.091 0.000 0.990 1351 E CA 0.776 57.050 56.400 -0.209 0.000 0.821 1351 E CB -0.108 29.285 29.700 -0.511 0.000 0.750 1351 E HN 0.319 nan 8.360 nan 0.000 0.477 1352 I N -0.050 120.477 120.570 -0.071 0.000 2.277 1352 I HA -0.201 3.971 4.170 0.004 0.000 0.243 1352 I C 2.183 178.406 176.117 0.178 0.000 1.094 1352 I CA 0.656 61.987 61.300 0.051 0.000 1.393 1352 I CB -0.115 37.847 38.000 -0.063 0.000 1.078 1352 I HN 0.126 nan 8.210 nan 0.000 0.417 1353 Q N 0.897 120.751 119.800 0.091 0.000 2.226 1353 Q HA -0.178 4.164 4.340 0.004 0.000 0.204 1353 Q C 2.077 178.179 176.000 0.171 0.000 0.975 1353 Q CA 1.088 56.968 55.803 0.128 0.000 0.866 1353 Q CB -0.175 28.599 28.738 0.060 0.000 0.915 1353 Q HN 0.395 nan 8.270 nan 0.000 0.440 1354 K N -0.087 120.379 120.400 0.110 0.000 2.034 1354 K HA -0.134 4.188 4.320 0.004 0.000 0.214 1354 K C 2.138 178.794 176.600 0.092 0.000 1.051 1354 K CA 1.291 57.625 56.287 0.078 0.000 0.931 1354 K CB -0.667 31.855 32.500 0.037 0.000 0.715 1354 K HN 0.114 nan 8.250 nan 0.000 0.446 1355 V N 0.393 120.377 119.914 0.118 0.000 2.358 1355 V HA -0.227 3.895 4.120 0.004 0.000 0.246 1355 V C 2.162 178.239 176.094 -0.028 0.000 1.047 1355 V CA 1.568 63.880 62.300 0.019 0.000 1.035 1355 V CB -0.644 31.147 31.823 -0.053 0.000 0.658 1355 V HN 0.169 nan 8.190 nan 0.000 0.452 1356 Y N 0.694 121.018 120.300 0.040 0.000 2.242 1356 Y HA -0.144 4.408 4.550 0.004 0.000 0.291 1356 Y C 2.655 178.572 175.900 0.028 0.000 1.137 1356 Y CA 1.335 59.458 58.100 0.038 0.000 1.181 1356 Y CB -0.488 38.004 38.460 0.054 0.000 0.989 1356 Y HN 0.134 nan 8.280 nan 0.000 0.527 1357 R N -0.064 120.545 120.500 0.182 0.000 2.081 1357 R HA -0.121 4.221 4.340 0.004 0.000 0.235 1357 R C 2.389 178.724 176.300 0.058 0.000 1.131 1357 R CA 1.244 57.404 56.100 0.100 0.000 0.960 1357 R CB -0.663 29.683 30.300 0.077 0.000 0.856 1357 R HN 0.265 nan 8.270 nan 0.000 0.436 1358 A N 0.459 123.304 122.820 0.042 0.000 2.216 1358 A HA -0.089 4.233 4.320 0.004 0.000 0.214 1358 A C 1.347 178.929 177.584 -0.004 0.000 1.160 1358 A CA 1.004 53.050 52.037 0.014 0.000 0.725 1358 A CB 0.115 19.119 19.000 0.006 0.000 0.784 1358 A HN 0.192 nan 8.150 nan 0.000 0.472 1359 Q N -2.013 117.782 119.800 -0.008 0.000 2.139 1359 Q HA 0.248 4.590 4.340 0.004 0.000 0.219 1359 Q C 1.074 177.076 176.000 0.004 0.000 0.805 1359 Q CA 0.596 56.384 55.803 -0.025 0.000 1.024 1359 Q CB 0.785 29.471 28.738 -0.085 0.000 1.163 1359 Q HN 0.856 nan 8.270 nan 0.000 0.485 1360 G N 0.467 109.283 108.800 0.026 0.000 2.253 1360 G HA2 -0.289 3.674 3.960 0.004 0.000 0.251 1360 G HA3 -0.289 3.674 3.960 0.004 0.000 0.251 1360 G C 0.449 175.381 174.900 0.053 0.000 0.998 1360 G CA 0.310 45.430 45.100 0.033 0.000 0.621 1360 G HN 0.238 nan 8.290 nan 0.000 0.524 1361 V N 1.224 121.189 119.914 0.085 0.000 2.740 1361 V HA 0.356 4.478 4.120 0.004 0.000 0.303 1361 V C 0.709 176.873 176.094 0.117 0.000 1.054 1361 V CA 0.696 63.071 62.300 0.124 0.000 1.106 1361 V CB 1.352 33.322 31.823 0.245 0.000 0.957 1361 V HN 0.338 nan 8.190 nan 0.000 0.486 1362 K N 5.120 125.568 120.400 0.079 0.000 2.562 1362 K HA 0.449 4.771 4.320 0.004 0.000 0.206 1362 K C -1.153 175.481 176.600 0.056 0.000 1.033 1362 K CA -0.512 55.807 56.287 0.053 0.000 1.029 1362 K CB 0.833 33.341 32.500 0.014 0.000 1.393 1362 K HN 0.557 nan 8.250 nan 0.000 0.539 1363 L N -1.336 119.932 121.223 0.074 0.000 2.307 1363 L HA 0.473 4.816 4.340 0.004 0.000 0.284 1363 L C 0.154 177.137 176.870 0.189 0.000 1.023 1363 L CA -0.728 54.183 54.840 0.117 0.000 0.810 1363 L CB 0.658 42.743 42.059 0.043 0.000 1.231 1363 L HN 0.313 nan 8.230 nan 0.000 0.423 1364 H N 2.437 121.607 119.070 0.167 0.000 3.001 1364 H HA 0.003 4.562 4.556 0.004 0.000 0.334 1364 H C 0.075 175.445 175.328 0.070 0.000 1.034 1364 H CA 0.540 56.644 56.048 0.093 0.000 1.420 1364 H CB 0.901 30.687 29.762 0.040 0.000 1.405 1364 H HN 0.848 nan 8.280 nan 0.000 0.593 1365 D N 4.926 125.511 120.400 0.308 0.000 2.190 1365 D HA -0.174 4.469 4.640 0.004 0.000 0.200 1365 D C 1.855 178.294 176.300 0.231 0.000 0.992 1365 D CA 1.185 55.319 54.000 0.224 0.000 0.854 1365 D CB 0.084 40.947 40.800 0.105 0.000 0.936 1365 D HN 0.554 nan 8.370 nan 0.000 0.462 1366 K N -0.147 120.412 120.400 0.266 0.000 2.066 1366 K HA -0.263 4.059 4.320 0.004 0.000 0.221 1366 K C 2.090 178.678 176.600 -0.020 0.000 1.056 1366 K CA 1.819 58.019 56.287 -0.146 0.000 0.950 1366 K CB -0.242 31.798 32.500 -0.766 0.000 0.726 1366 K HN 0.385 nan 8.250 nan 0.000 0.456 1367 H N 0.244 119.417 119.070 0.171 0.000 2.251 1367 H HA -0.150 4.408 4.556 0.003 0.000 0.294 1367 H C 2.346 177.756 175.328 0.136 0.000 1.078 1367 H CA 1.944 58.078 56.048 0.142 0.000 1.246 1367 H CB -0.725 29.100 29.762 0.104 0.000 1.358 1367 H HN 0.223 nan 8.280 nan 0.000 0.488 1368 I N 1.180 121.898 120.570 0.247 0.000 2.185 1368 I HA -0.298 3.874 4.170 0.004 0.000 0.246 1368 I C 2.428 178.604 176.117 0.097 0.000 1.088 1368 I CA 1.473 62.876 61.300 0.172 0.000 1.347 1368 I CB -0.428 37.615 38.000 0.072 0.000 1.041 1368 I HN 0.304 nan 8.210 nan 0.000 0.415 1369 E N 1.122 121.377 120.200 0.092 0.000 2.023 1369 E HA -0.220 4.132 4.350 0.004 0.000 0.196 1369 E C 2.312 178.959 176.600 0.077 0.000 1.003 1369 E CA 1.528 57.969 56.400 0.068 0.000 0.809 1369 E CB -0.202 29.545 29.700 0.077 0.000 0.755 1369 E HN 0.389 nan 8.360 nan 0.000 0.449 1370 I N 1.244 121.876 120.570 0.103 0.000 2.181 1370 I HA -0.275 3.897 4.170 0.004 0.000 0.247 1370 I C 2.460 178.628 176.117 0.085 0.000 1.081 1370 I CA 1.277 62.629 61.300 0.087 0.000 1.340 1370 I CB -1.530 36.518 38.000 0.080 0.000 1.036 1370 I HN 0.015 nan 8.210 nan 0.000 0.417 1371 V N 0.616 120.602 119.914 0.119 0.000 2.229 1371 V HA -0.209 3.913 4.120 0.004 0.000 0.243 1371 V C 2.656 178.795 176.094 0.075 0.000 1.042 1371 V CA 1.739 64.121 62.300 0.136 0.000 1.000 1371 V CB -0.603 31.386 31.823 0.276 0.000 0.637 1371 V HN 0.307 nan 8.190 nan 0.000 0.446 1372 V N 0.702 120.626 119.914 0.017 0.000 2.453 1372 V HA -0.317 3.805 4.120 0.004 0.000 0.252 1372 V C 2.661 178.756 176.094 0.003 0.000 1.068 1372 V CA 2.704 64.983 62.300 -0.036 0.000 1.070 1372 V CB -0.652 31.122 31.823 -0.082 0.000 0.664 1372 V HN 0.579 nan 8.190 nan 0.000 0.461 1373 R N -0.650 119.864 120.500 0.024 0.000 2.081 1373 R HA -0.178 4.164 4.340 0.004 0.000 0.235 1373 R C 2.181 178.507 176.300 0.043 0.000 1.131 1373 R CA 1.865 57.982 56.100 0.027 0.000 0.960 1373 R CB -0.315 30.004 30.300 0.033 0.000 0.856 1373 R HN 0.545 nan 8.270 nan 0.000 0.436 1374 Q N 0.017 119.855 119.800 0.064 0.000 2.439 1374 Q HA -0.109 4.233 4.340 0.004 0.000 0.211 1374 Q C 1.713 177.784 176.000 0.119 0.000 0.978 1374 Q CA 1.025 56.889 55.803 0.102 0.000 0.897 1374 Q CB -0.031 28.766 28.738 0.099 0.000 0.956 1374 Q HN 0.521 nan 8.270 nan 0.000 0.483 1375 M N -1.229 118.412 119.600 0.069 0.000 2.561 1375 M HA 0.084 4.566 4.480 0.004 0.000 0.238 1375 M C 0.252 176.581 176.300 0.047 0.000 1.131 1375 M CA 0.445 55.770 55.300 0.043 0.000 1.046 1375 M CB 0.298 32.897 32.600 -0.002 0.000 1.532 1375 M HN 0.011 nan 8.290 nan 0.000 0.497 1376 M N -0.724 118.919 119.600 0.071 0.000 3.320 1376 M HA 0.161 4.643 4.480 0.004 0.000 0.414 1376 M C 0.732 177.065 176.300 0.056 0.000 1.553 1376 M CA 0.183 55.518 55.300 0.057 0.000 0.742 1376 M CB 0.551 33.154 32.600 0.005 0.000 1.434 1376 M HN -0.140 nan 8.290 nan 0.000 0.505 1377 K N -0.363 120.126 120.400 0.148 0.000 2.374 1377 K HA 0.190 4.512 4.320 0.004 0.000 0.196 1377 K C -0.867 175.604 176.600 -0.215 0.000 1.023 1377 K CA 0.487 56.746 56.287 -0.047 0.000 1.103 1377 K CB 0.598 33.042 32.500 -0.093 0.000 0.848 1377 K HN 0.240 nan 8.250 nan 0.000 0.528 1378 Y N -1.012 119.257 120.300 -0.051 0.000 2.662 1378 Y HA 0.452 5.004 4.550 0.004 0.000 0.335 1378 Y C -0.012 175.863 175.900 -0.043 0.000 1.066 1378 Y CA -1.224 56.871 58.100 -0.009 0.000 1.116 1378 Y CB 1.793 40.269 38.460 0.025 0.000 1.308 1378 Y HN -0.187 nan 8.280 nan 0.000 0.502 1379 V N -2.120 117.896 119.914 0.170 0.000 3.301 1379 V HA 0.658 4.781 4.120 0.004 0.000 0.291 1379 V C -1.420 174.705 176.094 0.051 0.000 1.549 1379 V CA -1.200 61.106 62.300 0.009 0.000 1.061 1379 V CB 1.755 33.409 31.823 -0.283 0.000 1.154 1379 V HN 0.719 nan 8.190 nan 0.000 0.466 1380 E N 0.170 120.357 120.200 -0.021 0.000 2.232 1380 E HA 0.772 5.124 4.350 0.004 0.000 0.264 1380 E C -1.172 175.323 176.600 -0.175 0.000 0.973 1380 E CA -0.710 55.677 56.400 -0.022 0.000 0.849 1380 E CB 2.195 31.906 29.700 0.018 0.000 1.198 1380 E HN 0.912 nan 8.360 nan 0.000 0.407 1381 V N 2.329 122.143 119.914 -0.168 0.000 2.435 1381 V HA 0.375 4.497 4.120 0.004 0.000 0.290 1381 V C 0.207 176.233 176.094 -0.115 0.000 1.030 1381 V CA -0.373 61.766 62.300 -0.268 0.000 0.881 1381 V CB 1.402 33.088 31.823 -0.228 0.000 0.983 1381 V HN 0.941 nan 8.190 nan 0.000 0.445 1382 T N 0.397 114.878 114.554 -0.122 0.000 2.964 1382 T HA 0.186 4.538 4.350 0.004 0.000 0.249 1382 T C 0.106 174.762 174.700 -0.072 0.000 1.000 1382 T CA 0.234 62.286 62.100 -0.079 0.000 0.992 1382 T CB 0.289 69.109 68.868 -0.081 0.000 1.087 1382 T HN 0.647 nan 8.240 nan 0.000 0.489 1383 D N 2.346 122.693 120.400 -0.088 0.000 2.358 1383 D HA 0.353 4.995 4.640 0.004 0.000 0.253 1383 D C -2.814 173.473 176.300 -0.021 0.000 1.288 1383 D CA -1.880 52.084 54.000 -0.060 0.000 0.950 1383 D CB 2.315 43.066 40.800 -0.081 0.000 1.197 1383 D HN 0.046 nan 8.370 nan 0.000 0.550 1384 P HA 0.290 nan 4.420 nan 0.000 0.272 1384 P C 0.448 177.795 177.300 0.078 0.000 1.254 1384 P CA 0.002 63.151 63.100 0.082 0.000 0.795 1384 P CB 1.311 33.059 31.700 0.080 0.000 1.022 1385 G N -1.081 107.786 108.800 0.112 0.000 3.320 1385 G HA2 -0.024 3.938 3.960 0.004 0.000 0.180 1385 G HA3 -0.024 3.938 3.960 0.004 0.000 0.180 1385 G C 0.776 175.728 174.900 0.087 0.000 1.267 1385 G CA 0.276 45.431 45.100 0.091 0.000 0.822 1385 G HN 0.438 nan 8.290 nan 0.000 0.681 1386 D N 0.301 120.766 120.400 0.107 0.000 2.197 1386 D HA 0.285 4.927 4.640 0.004 0.000 0.212 1386 D C 0.547 176.894 176.300 0.077 0.000 0.963 1386 D CA 0.826 54.872 54.000 0.076 0.000 0.864 1386 D CB 0.677 41.510 40.800 0.055 0.000 1.009 1386 D HN 0.175 nan 8.370 nan 0.000 0.479 1387 S N -0.031 115.738 115.700 0.115 0.000 2.570 1387 S HA 0.437 4.909 4.470 0.004 0.000 0.286 1387 S C -0.673 174.009 174.600 0.137 0.000 1.099 1387 S CA -0.806 57.459 58.200 0.107 0.000 0.913 1387 S CB 2.186 65.440 63.200 0.090 0.000 1.085 1387 S HN -0.010 nan 8.310 nan 0.000 0.480 1388 R N 1.510 122.072 120.500 0.104 0.000 2.705 1388 R HA -0.026 4.316 4.340 0.004 0.000 0.264 1388 R C 1.321 177.688 176.300 0.112 0.000 0.988 1388 R CA -0.196 55.961 56.100 0.094 0.000 1.103 1388 R CB -0.722 29.622 30.300 0.074 0.000 0.950 1388 R HN 0.669 nan 8.270 nan 0.000 0.427 1389 L N 3.271 124.541 121.223 0.079 0.000 1.908 1389 L HA -0.139 4.203 4.340 0.004 0.000 0.227 1389 L C 0.583 177.490 176.870 0.062 0.000 1.087 1389 L CA 1.591 56.464 54.840 0.055 0.000 0.797 1389 L CB -1.081 40.992 42.059 0.024 0.000 0.893 1389 L HN 0.522 nan 8.230 nan 0.000 0.432 1390 L N 1.945 123.198 121.223 0.049 0.000 2.825 1390 L HA 0.049 4.392 4.340 0.004 0.000 0.278 1390 L C 0.122 177.041 176.870 0.082 0.000 1.125 1390 L CA 0.764 55.635 54.840 0.050 0.000 1.023 1390 L CB -1.046 41.035 42.059 0.038 0.000 1.377 1390 L HN 0.508 nan 8.230 nan 0.000 0.471 1391 E N 1.949 122.215 120.200 0.109 0.000 2.378 1391 E HA 0.368 4.721 4.350 0.004 0.000 0.283 1391 E C -0.667 176.057 176.600 0.207 0.000 0.979 1391 E CA -0.620 55.883 56.400 0.170 0.000 0.795 1391 E CB 2.375 32.235 29.700 0.268 0.000 1.221 1391 E HN 0.525 nan 8.360 nan 0.000 0.428 1392 G N 2.192 111.116 108.800 0.206 0.000 2.468 1392 G HA2 0.495 4.457 3.960 0.004 0.000 0.315 1392 G HA3 0.495 4.457 3.960 0.004 0.000 0.315 1392 G C -0.438 174.663 174.900 0.334 0.000 1.203 1392 G CA -0.161 45.081 45.100 0.236 0.000 0.962 1392 G HN 0.071 nan 8.290 nan 0.000 0.476 1393 Q N 0.614 120.728 119.800 0.523 0.000 2.615 1393 Q HA 0.337 4.679 4.340 0.004 0.000 0.298 1393 Q C -0.255 175.968 176.000 0.371 0.000 1.023 1393 Q CA -0.890 55.159 55.803 0.411 0.000 0.768 1393 Q CB 2.169 30.999 28.738 0.153 0.000 1.500 1393 Q HN 0.317 nan 8.270 nan 0.000 0.441 1394 V N 2.960 122.814 119.914 -0.098 0.000 2.486 1394 V HA -0.142 3.980 4.120 0.004 0.000 0.290 1394 V C 1.947 177.894 176.094 -0.246 0.000 0.991 1394 V CA 0.448 62.482 62.300 -0.443 0.000 1.142 1394 V CB -0.694 30.826 31.823 -0.505 0.000 0.926 1394 V HN 0.705 nan 8.190 nan 0.000 0.472 1395 L N 4.602 125.730 121.223 -0.159 0.000 1.963 1395 L HA -0.192 4.150 4.340 0.004 0.000 0.220 1395 L C 2.458 179.197 176.870 -0.219 0.000 1.076 1395 L CA 2.484 57.242 54.840 -0.137 0.000 0.772 1395 L CB -0.577 41.314 42.059 -0.280 0.000 0.892 1395 L HN 0.834 nan 8.230 nan 0.000 0.435 1396 E N 0.054 120.085 120.200 -0.282 0.000 2.209 1396 E HA -0.320 4.032 4.350 0.004 0.000 0.196 1396 E C 2.177 178.643 176.600 -0.222 0.000 0.993 1396 E CA 1.665 57.920 56.400 -0.242 0.000 0.819 1396 E CB -0.159 29.371 29.700 -0.283 0.000 0.745 1396 E HN 0.610 nan 8.360 nan 0.000 0.477 1397 K N -0.787 119.425 120.400 -0.314 0.000 2.283 1397 K HA -0.121 4.201 4.320 0.004 0.000 0.202 1397 K C 1.711 178.111 176.600 -0.335 0.000 1.048 1397 K CA 1.350 57.421 56.287 -0.360 0.000 0.948 1397 K CB -0.199 32.005 32.500 -0.493 0.000 0.742 1397 K HN 0.170 nan 8.250 nan 0.000 0.458 1398 W N 0.751 121.976 121.300 -0.124 0.000 2.523 1398 W HA -0.017 4.646 4.660 0.004 0.000 0.278 1398 W C 1.484 178.090 176.519 0.146 0.000 1.236 1398 W CA 0.046 57.406 57.345 0.025 0.000 1.306 1398 W CB 0.150 29.601 29.460 -0.015 0.000 1.101 1398 W HN 0.037 nan 8.180 nan 0.000 0.577 1399 D N 0.226 120.743 120.400 0.194 0.000 2.219 1399 D HA -0.136 4.506 4.640 0.004 0.000 0.205 1399 D C 2.223 178.602 176.300 0.132 0.000 0.970 1399 D CA 1.181 55.301 54.000 0.200 0.000 0.851 1399 D CB -0.545 40.292 40.800 0.061 0.000 0.943 1399 D HN 0.053 nan 8.370 nan 0.000 0.488 1400 V N 1.142 121.089 119.914 0.054 0.000 2.283 1400 V HA -0.162 3.960 4.120 0.004 0.000 0.243 1400 V C 2.503 178.626 176.094 0.049 0.000 1.039 1400 V CA 1.377 63.688 62.300 0.018 0.000 1.016 1400 V CB -0.293 31.502 31.823 -0.046 0.000 0.650 1400 V HN 0.150 nan 8.190 nan 0.000 0.449 1401 E N 0.640 120.881 120.200 0.068 0.000 2.012 1401 E HA -0.261 4.091 4.350 0.004 0.000 0.197 1401 E C 2.300 178.979 176.600 0.131 0.000 1.007 1401 E CA 1.818 58.274 56.400 0.094 0.000 0.816 1401 E CB -0.285 29.493 29.700 0.130 0.000 0.762 1401 E HN 0.468 nan 8.360 nan 0.000 0.451 1402 A N 1.453 124.397 122.820 0.207 0.000 1.948 1402 A HA -0.188 4.134 4.320 0.004 0.000 0.220 1402 A C 2.452 180.098 177.584 0.103 0.000 1.177 1402 A CA 1.369 53.501 52.037 0.159 0.000 0.636 1402 A CB -0.794 18.329 19.000 0.205 0.000 0.815 1402 A HN 0.337 nan 8.150 nan 0.000 0.449 1403 L N -0.633 120.655 121.223 0.108 0.000 1.970 1403 L HA -0.254 4.088 4.340 0.004 0.000 0.212 1403 L C 2.235 179.134 176.870 0.048 0.000 1.071 1403 L CA 2.010 56.893 54.840 0.071 0.000 0.751 1403 L CB -0.484 41.613 42.059 0.063 0.000 0.889 1403 L HN 0.408 nan 8.230 nan 0.000 0.432 1404 N N -0.805 117.921 118.700 0.044 0.000 2.396 1404 N HA -0.173 4.569 4.740 0.004 0.000 0.180 1404 N C 1.581 177.110 175.510 0.031 0.000 1.028 1404 N CA 0.566 53.635 53.050 0.031 0.000 0.893 1404 N CB -0.086 38.416 38.487 0.024 0.000 0.967 1404 N HN 0.249 nan 8.380 nan 0.000 0.440 1405 E N 0.816 121.041 120.200 0.041 0.000 2.208 1405 E HA -0.026 4.326 4.350 0.004 0.000 0.193 1405 E C 1.771 178.386 176.600 0.026 0.000 0.988 1405 E CA 0.968 57.391 56.400 0.037 0.000 0.828 1405 E CB 0.181 29.912 29.700 0.052 0.000 0.763 1405 E HN 0.212 nan 8.360 nan 0.000 0.478 1406 R N -0.969 119.546 120.500 0.024 0.000 2.221 1406 R HA 0.103 4.446 4.340 0.004 0.000 0.195 1406 R C 1.239 177.546 176.300 0.013 0.000 0.956 1406 R CA 0.242 56.350 56.100 0.014 0.000 1.064 1406 R CB 0.145 30.450 30.300 0.009 0.000 1.049 1406 R HN 0.166 nan 8.270 nan 0.000 0.534 1407 L N 0.513 121.747 121.223 0.017 0.000 2.115 1407 L HA 0.123 4.465 4.340 0.004 0.000 0.200 1407 L C 2.242 179.120 176.870 0.013 0.000 1.094 1407 L CA 1.336 56.185 54.840 0.015 0.000 0.769 1407 L CB -0.772 41.298 42.059 0.018 0.000 0.931 1407 L HN 0.040 nan 8.230 nan 0.000 0.455 1408 I N -0.530 120.049 120.570 0.015 0.000 2.162 1408 I HA -0.085 4.087 4.170 0.004 0.000 0.238 1408 I C 1.117 177.241 176.117 0.012 0.000 1.076 1408 I CA 0.657 61.965 61.300 0.013 0.000 1.353 1408 I CB -0.330 37.678 38.000 0.013 0.000 1.063 1408 I HN 0.143 nan 8.210 nan 0.000 0.408 1409 A N 1.658 124.486 122.820 0.014 0.000 2.301 1409 A HA 0.325 4.647 4.320 0.004 0.000 0.312 1409 A C 0.198 177.790 177.584 0.013 0.000 1.182 1409 A CA -0.602 51.443 52.037 0.013 0.000 0.826 1409 A CB 0.166 19.176 19.000 0.015 0.000 1.134 1409 A HN 0.410 nan 8.150 nan 0.000 0.501 1410 E N 1.629 121.836 120.200 0.010 0.000 2.855 1410 E HA 0.503 4.855 4.350 0.004 0.000 0.259 1410 E C 0.478 177.083 176.600 0.009 0.000 1.390 1410 E CA -0.379 56.026 56.400 0.008 0.000 1.069 1410 E CB 0.129 29.833 29.700 0.006 0.000 1.172 1410 E HN 1.782 nan 8.360 nan 0.000 0.668 1411 G N 0.952 109.756 108.800 0.006 0.000 2.788 1411 G HA2 -0.186 3.776 3.960 0.004 0.000 0.249 1411 G HA3 -0.186 3.776 3.960 0.004 0.000 0.249 1411 G C -0.388 174.514 174.900 0.005 0.000 1.008 1411 G CA -0.185 44.918 45.100 0.005 0.000 1.220 1411 G HN 0.271 nan 8.290 nan 0.000 0.506 1412 K N 1.859 122.258 120.400 -0.002 0.000 2.166 1412 K HA 0.318 4.640 4.320 0.004 0.000 0.273 1412 K C 0.651 177.245 176.600 -0.009 0.000 1.095 1412 K CA 0.076 56.360 56.287 -0.007 0.000 0.985 1412 K CB -0.449 32.042 32.500 -0.015 0.000 1.172 1412 K HN 0.385 nan 8.250 nan 0.000 0.401 1413 T N 7.149 121.703 114.554 0.000 0.000 3.316 1413 T HA 0.238 4.590 4.350 0.004 0.000 0.341 1413 T C -2.444 172.253 174.700 -0.006 0.000 1.397 1413 T CA -1.600 60.501 62.100 0.001 0.000 1.085 1413 T CB 0.535 69.416 68.868 0.020 0.000 1.160 1413 T HN 0.287 nan 8.240 nan 0.000 0.694 1414 P HA 0.075 nan 4.420 nan 0.000 0.262 1414 P C -0.069 177.180 177.300 -0.085 0.000 1.199 1414 P CA -0.281 62.769 63.100 -0.083 0.000 0.763 1414 P CB 0.221 31.852 31.700 -0.115 0.000 0.790 1415 V N 1.154 121.016 119.914 -0.087 0.000 2.258 1415 V HA 0.571 4.693 4.120 0.004 0.000 0.258 1415 V C 0.546 176.477 176.094 -0.271 0.000 1.121 1415 V CA -1.277 60.992 62.300 -0.051 0.000 0.942 1415 V CB -0.057 31.879 31.823 0.188 0.000 1.170 1415 V HN 0.549 nan 8.190 nan 0.000 0.487 1416 A N 6.552 129.204 122.820 -0.281 0.000 2.395 1416 A HA 0.607 4.929 4.320 0.004 0.000 0.286 1416 A C -0.171 177.230 177.584 -0.305 0.000 1.193 1416 A CA -0.353 51.458 52.037 -0.377 0.000 0.852 1416 A CB -0.206 18.645 19.000 -0.247 0.000 1.118 1416 A HN 1.161 nan 8.150 nan 0.000 0.524 1417 W N 2.259 123.389 121.300 -0.282 0.000 2.804 1417 W HA 0.771 5.433 4.660 0.003 0.000 0.352 1417 W C -0.789 175.594 176.519 -0.225 0.000 1.153 1417 W CA -1.489 55.628 57.345 -0.379 0.000 1.119 1417 W CB 0.857 29.980 29.460 -0.562 0.000 1.448 1417 W HN 0.510 nan 8.180 nan 0.000 0.600 1418 K N 0.981 121.488 120.400 0.178 0.000 2.507 1418 K HA 0.394 4.716 4.320 0.004 0.000 0.252 1418 K C -2.840 173.819 176.600 0.099 0.000 0.943 1418 K CA -1.893 54.473 56.287 0.131 0.000 0.808 1418 K CB 2.082 34.609 32.500 0.045 0.000 1.142 1418 K HN 0.018 nan 8.250 nan 0.000 0.426 1419 P HA 0.004 nan 4.420 nan 0.000 0.263 1419 P C -0.826 176.495 177.300 0.035 0.000 1.195 1419 P CA 0.206 63.325 63.100 0.031 0.000 0.762 1419 P CB 0.430 32.153 31.700 0.039 0.000 0.799 1420 L N 4.375 125.617 121.223 0.031 0.000 2.305 1420 L HA 0.345 4.687 4.340 0.004 0.000 0.284 1420 L C -0.095 176.786 176.870 0.018 0.000 1.013 1420 L CA -1.119 53.759 54.840 0.063 0.000 0.819 1420 L CB 1.368 43.482 42.059 0.092 0.000 1.227 1420 L HN 0.212 nan 8.230 nan 0.000 0.417 1421 L N 5.132 126.317 121.223 -0.063 0.000 2.315 1421 L HA 0.354 4.697 4.340 0.004 0.000 0.283 1421 L C -0.264 176.448 176.870 -0.264 0.000 1.089 1421 L CA 0.861 55.544 54.840 -0.263 0.000 0.833 1421 L CB 0.516 42.237 42.059 -0.563 0.000 1.170 1421 L HN 0.561 nan 8.230 nan 0.000 0.442 1422 M N 3.425 122.950 119.600 -0.125 0.000 2.393 1422 M HA 0.458 4.940 4.480 0.004 0.000 0.316 1422 M C 0.187 176.455 176.300 -0.052 0.000 1.087 1422 M CA -0.572 54.686 55.300 -0.070 0.000 0.937 1422 M CB 1.907 34.446 32.600 -0.103 0.000 1.668 1422 M HN 0.703 nan 8.290 nan 0.000 0.438 1423 G N 1.318 110.113 108.800 -0.008 0.000 2.448 1423 G HA2 0.380 4.342 3.960 0.004 0.000 0.285 1423 G HA3 0.380 4.342 3.960 0.004 0.000 0.285 1423 G C 0.840 175.770 174.900 0.050 0.000 1.176 1423 G CA -0.507 44.608 45.100 0.024 0.000 0.852 1423 G HN 0.694 nan 8.290 nan 0.000 0.530 1424 V N 1.884 121.846 119.914 0.079 0.000 2.243 1424 V HA -0.330 3.792 4.120 0.004 0.000 0.258 1424 V C 2.739 178.896 176.094 0.105 0.000 1.073 1424 V CA 3.657 66.022 62.300 0.108 0.000 1.069 1424 V CB -1.051 30.878 31.823 0.177 0.000 0.681 1424 V HN 0.895 nan 8.190 nan 0.000 0.457 1425 T N -0.409 114.224 114.554 0.131 0.000 2.570 1425 T HA -0.338 4.014 4.350 0.004 0.000 0.266 1425 T C 1.872 176.699 174.700 0.212 0.000 1.071 1425 T CA 2.404 64.632 62.100 0.214 0.000 1.172 1425 T CB -0.473 68.543 68.868 0.245 0.000 0.864 1425 T HN 0.567 nan 8.240 nan 0.000 0.421 1426 K N 0.534 121.004 120.400 0.116 0.000 2.152 1426 K HA -0.090 4.232 4.320 0.004 0.000 0.206 1426 K C 2.700 179.264 176.600 -0.061 0.000 1.048 1426 K CA 1.231 57.535 56.287 0.029 0.000 0.933 1426 K CB -0.270 32.234 32.500 0.007 0.000 0.721 1426 K HN 0.267 nan 8.250 nan 0.000 0.447 1427 S N -0.195 115.470 115.700 -0.059 0.000 2.383 1427 S HA -0.111 4.361 4.470 0.004 0.000 0.227 1427 S C 1.939 176.532 174.600 -0.012 0.000 1.026 1427 S CA 1.199 59.322 58.200 -0.128 0.000 0.981 1427 S CB -0.171 63.021 63.200 -0.013 0.000 0.818 1427 S HN 0.398 nan 8.310 nan 0.000 0.472 1428 A N 1.064 123.933 122.820 0.081 0.000 1.897 1428 A HA 0.154 4.476 4.320 0.004 0.000 0.215 1428 A C 2.119 179.771 177.584 0.113 0.000 1.181 1428 A CA 1.191 53.315 52.037 0.144 0.000 0.620 1428 A CB -0.808 18.337 19.000 0.242 0.000 0.821 1428 A HN 0.514 nan 8.150 nan 0.000 0.443 1429 L N 0.640 121.908 121.223 0.075 0.000 1.971 1429 L HA -0.153 4.189 4.340 0.004 0.000 0.215 1429 L C 1.642 178.472 176.870 -0.066 0.000 1.072 1429 L CA 2.011 56.811 54.840 -0.066 0.000 0.758 1429 L CB -0.370 41.633 42.059 -0.093 0.000 0.889 1429 L HN 0.490 nan 8.230 nan 0.000 0.433 1430 S N -1.919 113.737 115.700 -0.074 0.000 2.512 1430 S HA 0.470 4.942 4.470 0.004 0.000 0.291 1430 S C -0.162 174.440 174.600 0.004 0.000 1.151 1430 S CA -0.505 57.655 58.200 -0.066 0.000 1.120 1430 S CB 0.947 64.073 63.200 -0.123 0.000 1.029 1430 S HN 0.274 nan 8.310 nan 0.000 0.485 1431 T N 1.653 116.275 114.554 0.114 0.000 2.718 1431 T HA 0.522 4.874 4.350 0.004 0.000 0.267 1431 T C 0.904 175.734 174.700 0.217 0.000 0.957 1431 T CA -0.505 61.743 62.100 0.247 0.000 1.025 1431 T CB 1.344 70.323 68.868 0.184 0.000 1.355 1431 T HN 0.417 nan 8.240 nan 0.000 0.572 1432 K N 0.943 121.469 120.400 0.210 0.000 1.992 1432 K HA 0.197 4.519 4.320 0.004 0.000 0.210 1432 K C 1.085 177.779 176.600 0.157 0.000 1.036 1432 K CA 0.955 57.338 56.287 0.161 0.000 0.946 1432 K CB -0.519 32.076 32.500 0.159 0.000 0.742 1432 K HN 0.640 nan 8.250 nan 0.000 0.442 1433 S N -0.244 115.525 115.700 0.115 0.000 2.569 1433 S HA -0.077 4.395 4.470 0.004 0.000 0.274 1433 S C 0.917 175.590 174.600 0.122 0.000 1.353 1433 S CA 0.333 58.572 58.200 0.066 0.000 1.023 1433 S CB 0.236 63.382 63.200 -0.091 0.000 0.876 1433 S HN 0.496 nan 8.310 nan 0.000 0.540 1434 W N 3.134 124.460 121.300 0.042 0.000 2.683 1434 W HA 0.276 4.938 4.660 0.003 0.000 0.267 1434 W C 1.197 177.739 176.519 0.038 0.000 1.243 1434 W CA -0.302 57.060 57.345 0.029 0.000 1.380 1434 W CB -0.660 28.819 29.460 0.032 0.000 1.063 1434 W HN 0.517 nan 8.180 nan 0.000 0.599 1435 L N 1.802 122.487 121.223 -0.896 0.000 2.010 1435 L HA -0.308 4.034 4.340 0.004 0.000 0.219 1435 L C 2.708 179.473 176.870 -0.174 0.000 1.077 1435 L CA 2.578 57.091 54.840 -0.546 0.000 0.773 1435 L CB -1.567 40.147 42.059 -0.575 0.000 0.892 1435 L HN 0.134 nan 8.230 nan 0.000 0.436 1436 S N -1.152 114.474 115.700 -0.123 0.000 2.356 1436 S HA -0.178 4.294 4.470 0.004 0.000 0.223 1436 S C 2.055 176.677 174.600 0.036 0.000 1.032 1436 S CA 1.149 59.353 58.200 0.006 0.000 1.005 1436 S CB -0.438 62.844 63.200 0.137 0.000 0.867 1436 S HN 0.555 nan 8.310 nan 0.000 0.449 1437 A N 1.195 124.032 122.820 0.029 0.000 1.969 1437 A HA 0.236 4.559 4.320 0.004 0.000 0.218 1437 A C 2.216 179.757 177.584 -0.072 0.000 1.169 1437 A CA 1.413 53.454 52.037 0.007 0.000 0.635 1437 A CB -0.807 18.207 19.000 0.024 0.000 0.810 1437 A HN 0.502 nan 8.150 nan 0.000 0.445 1438 A N -0.327 122.445 122.820 -0.080 0.000 2.172 1438 A HA 0.042 4.364 4.320 0.004 0.000 0.216 1438 A C 2.231 179.583 177.584 -0.387 0.000 1.154 1438 A CA 1.666 53.507 52.037 -0.326 0.000 0.701 1438 A CB -0.516 18.304 19.000 -0.300 0.000 0.789 1438 A HN 0.458 nan 8.150 nan 0.000 0.465 1439 S N -1.335 114.303 115.700 -0.103 0.000 2.362 1439 S HA 0.076 4.548 4.470 0.004 0.000 0.221 1439 S C 1.492 176.142 174.600 0.085 0.000 1.032 1439 S CA 1.146 59.358 58.200 0.019 0.000 0.973 1439 S CB -0.336 62.891 63.200 0.046 0.000 0.849 1439 S HN 0.773 nan 8.310 nan 0.000 0.465 1440 F N 1.290 121.200 119.950 -0.066 0.000 2.453 1440 F HA 0.286 4.815 4.527 0.003 0.000 0.239 1440 F C 2.163 177.937 175.800 -0.044 0.000 1.013 1440 F CA -0.189 57.780 58.000 -0.052 0.000 1.025 1440 F CB -0.697 38.270 39.000 -0.056 0.000 1.214 1440 F HN -0.046 nan 8.300 nan 0.000 0.681 1441 Q N 1.616 120.655 119.800 -1.268 0.000 0.659 1441 Q HA -0.268 4.075 4.340 0.004 0.000 0.875 1441 Q C -0.354 175.377 176.000 -0.448 0.000 0.875 1441 Q CA 1.496 56.615 55.803 -1.139 0.000 0.871 1441 Q CB -0.886 27.362 28.738 -0.816 0.000 0.915 1441 Q HN 0.435 nan 8.270 nan 0.000 0.182 1442 N N 0.120 118.630 118.700 -0.317 0.000 2.518 1442 N HA 0.088 4.830 4.740 0.004 0.000 0.254 1442 N C 0.416 175.784 175.510 -0.237 0.000 0.979 1442 N CA 0.662 53.581 53.050 -0.218 0.000 0.930 1442 N CB 1.149 39.535 38.487 -0.168 0.000 1.152 1442 N HN 0.497 nan 8.380 nan 0.000 0.505 1443 T N 0.059 114.449 114.554 -0.274 0.000 2.737 1443 T HA -0.198 4.154 4.350 0.004 0.000 0.269 1443 T C 1.571 176.107 174.700 -0.274 0.000 1.040 1443 T CA 1.972 63.845 62.100 -0.379 0.000 1.142 1443 T CB -0.493 68.105 68.868 -0.451 0.000 0.861 1443 T HN 0.408 nan 8.240 nan 0.000 0.456 1444 T N 0.639 114.951 114.554 -0.403 0.000 2.607 1444 T HA -0.190 4.162 4.350 0.004 0.000 0.267 1444 T C 1.687 176.024 174.700 -0.605 0.000 1.049 1444 T CA 1.956 63.505 62.100 -0.919 0.000 1.162 1444 T CB -0.683 67.730 68.868 -0.758 0.000 0.863 1444 T HN 0.716 nan 8.240 nan 0.000 0.424 1445 H N -0.264 118.572 119.070 -0.390 0.000 2.284 1445 H HA -0.018 4.541 4.556 0.004 0.000 0.304 1445 H C 2.439 177.679 175.328 -0.148 0.000 1.069 1445 H CA 1.007 56.914 56.048 -0.234 0.000 1.327 1445 H CB -0.112 29.534 29.762 -0.194 0.000 1.387 1445 H HN 0.042 nan 8.280 nan 0.000 0.498 1446 V N 0.922 120.805 119.914 -0.050 0.000 2.252 1446 V HA -0.344 3.778 4.120 0.004 0.000 0.255 1446 V C 2.480 178.590 176.094 0.027 0.000 1.071 1446 V CA 2.076 64.347 62.300 -0.048 0.000 1.050 1446 V CB -0.542 31.248 31.823 -0.054 0.000 0.654 1446 V HN 0.306 nan 8.190 nan 0.000 0.448 1447 L N -1.043 120.232 121.223 0.085 0.000 2.095 1447 L HA -0.083 4.260 4.340 0.004 0.000 0.204 1447 L C 2.555 179.509 176.870 0.140 0.000 1.080 1447 L CA 2.087 57.013 54.840 0.145 0.000 0.759 1447 L CB -1.054 41.234 42.059 0.382 0.000 0.914 1447 L HN 0.289 nan 8.230 nan 0.000 0.439 1448 T N -0.736 113.961 114.554 0.238 0.000 2.624 1448 T HA -0.334 4.019 4.350 0.004 0.000 0.268 1448 T C 1.818 176.445 174.700 -0.121 0.000 1.041 1448 T CA 2.102 64.305 62.100 0.171 0.000 1.159 1448 T CB -0.183 68.797 68.868 0.186 0.000 0.863 1448 T HN 0.348 nan 8.240 nan 0.000 0.434 1449 E N 0.747 120.875 120.200 -0.122 0.000 2.031 1449 E HA -0.044 4.309 4.350 0.004 0.000 0.193 1449 E C 2.307 178.794 176.600 -0.188 0.000 0.994 1449 E CA 1.162 57.449 56.400 -0.188 0.000 0.800 1449 E CB -0.424 29.163 29.700 -0.189 0.000 0.752 1449 E HN 0.439 nan 8.360 nan 0.000 0.447 1450 A N 0.614 123.336 122.820 -0.163 0.000 2.024 1450 A HA -0.106 4.216 4.320 0.004 0.000 0.220 1450 A C 2.250 179.639 177.584 -0.325 0.000 1.164 1450 A CA 1.862 53.752 52.037 -0.246 0.000 0.643 1450 A CB -0.758 18.028 19.000 -0.357 0.000 0.806 1450 A HN 0.417 nan 8.150 nan 0.000 0.451 1451 A N -0.026 122.656 122.820 -0.229 0.000 1.831 1451 A HA 0.077 4.399 4.320 0.004 0.000 0.213 1451 A C 1.929 179.457 177.584 -0.093 0.000 1.223 1451 A CA 1.153 53.109 52.037 -0.135 0.000 0.604 1451 A CB -0.770 18.244 19.000 0.024 0.000 0.878 1451 A HN 0.380 nan 8.150 nan 0.000 0.450 1452 I N 0.392 120.873 120.570 -0.148 0.000 2.253 1452 I HA -0.363 3.809 4.170 0.004 0.000 0.234 1452 I C 1.665 177.646 176.117 -0.227 0.000 0.978 1452 I CA 1.745 62.902 61.300 -0.238 0.000 1.271 1452 I CB -0.273 37.422 38.000 -0.509 0.000 0.978 1452 I HN 0.326 nan 8.210 nan 0.000 0.394 1453 A N 1.174 123.836 122.820 -0.263 0.000 2.437 1453 A HA 0.479 4.801 4.320 0.004 0.000 0.303 1453 A C 0.755 178.277 177.584 -0.103 0.000 1.324 1453 A CA 0.072 52.006 52.037 -0.172 0.000 0.983 1453 A CB -0.744 18.152 19.000 -0.174 0.000 1.142 1453 A HN 0.488 nan 8.150 nan 0.000 0.541 1454 G N 3.294 112.073 108.800 -0.036 0.000 2.198 1454 G HA2 0.140 4.102 3.960 0.004 0.000 0.280 1454 G HA3 0.140 4.102 3.960 0.004 0.000 0.280 1454 G C 0.086 174.961 174.900 -0.042 0.000 0.954 1454 G CA 0.007 45.090 45.100 -0.028 0.000 1.281 1454 G HN 0.528 nan 8.290 nan 0.000 0.373 1455 K N 2.250 122.573 120.400 -0.129 0.000 2.227 1455 K HA 0.222 4.544 4.320 0.004 0.000 0.280 1455 K C 0.342 177.028 176.600 0.143 0.000 1.041 1455 K CA -0.358 55.916 56.287 -0.021 0.000 0.905 1455 K CB 1.795 34.265 32.500 -0.050 0.000 1.068 1455 K HN 0.456 nan 8.250 nan 0.000 0.470 1456 K N 2.149 122.691 120.400 0.238 0.000 2.257 1456 K HA 0.082 4.404 4.320 0.004 0.000 0.270 1456 K C -0.281 176.514 176.600 0.325 0.000 1.098 1456 K CA -0.395 56.059 56.287 0.279 0.000 0.943 1456 K CB 0.688 33.279 32.500 0.152 0.000 1.316 1456 K HN 0.352 nan 8.250 nan 0.000 0.447 1457 D N 4.118 124.785 120.400 0.446 0.000 2.398 1457 D HA -0.047 4.595 4.640 0.004 0.000 0.250 1457 D C -0.544 175.767 176.300 0.017 0.000 1.287 1457 D CA 0.171 54.215 54.000 0.072 0.000 0.992 1457 D CB 0.361 40.842 40.800 -0.531 0.000 1.071 1457 D HN 0.427 nan 8.370 nan 0.000 0.514 1458 E N 2.629 122.855 120.200 0.043 0.000 2.366 1458 E HA 0.047 4.399 4.350 0.004 0.000 0.266 1458 E C -0.159 176.428 176.600 -0.022 0.000 1.015 1458 E CA -0.419 55.995 56.400 0.023 0.000 0.906 1458 E CB 0.996 30.721 29.700 0.042 0.000 0.979 1458 E HN 0.379 nan 8.360 nan 0.000 0.443 1459 L N 5.445 126.650 121.223 -0.029 0.000 2.342 1459 L HA 0.219 4.561 4.340 0.004 0.000 0.285 1459 L C -0.174 176.670 176.870 -0.044 0.000 1.095 1459 L CA 0.276 55.084 54.840 -0.055 0.000 0.843 1459 L CB -0.261 41.767 42.059 -0.051 0.000 1.201 1459 L HN 0.398 nan 8.230 nan 0.000 0.445 1460 I N 0.685 121.212 120.570 -0.071 0.000 2.656 1460 I HA 1.031 5.203 4.170 0.004 0.000 0.292 1460 I C 0.071 176.107 176.117 -0.135 0.000 1.144 1460 I CA -0.409 60.839 61.300 -0.086 0.000 1.038 1460 I CB 2.039 39.988 38.000 -0.084 0.000 1.244 1460 I HN 0.584 nan 8.210 nan 0.000 0.420 1461 G N 3.667 112.402 108.800 -0.108 0.000 2.629 1461 G HA2 -0.072 3.890 3.960 0.004 0.000 0.686 1461 G HA3 -0.072 3.890 3.960 0.004 0.000 0.686 1461 G C -0.220 174.669 174.900 -0.019 0.000 1.232 1461 G CA -0.374 44.678 45.100 -0.080 0.000 0.803 1461 G HN 0.943 nan 8.290 nan 0.000 0.638 1462 L N 0.355 121.596 121.223 0.030 0.000 2.202 1462 L HA 0.181 4.523 4.340 0.004 0.000 0.205 1462 L C 2.855 179.685 176.870 -0.067 0.000 1.083 1462 L CA 1.408 56.241 54.840 -0.012 0.000 0.790 1462 L CB -0.442 41.616 42.059 -0.001 0.000 0.942 1462 L HN 0.723 nan 8.230 nan 0.000 0.452 1463 K N 1.295 121.612 120.400 -0.138 0.000 1.991 1463 K HA -0.224 4.098 4.320 0.004 0.000 0.212 1463 K C 2.087 178.588 176.600 -0.165 0.000 1.049 1463 K CA 2.080 58.180 56.287 -0.312 0.000 0.932 1463 K CB -0.092 31.932 32.500 -0.793 0.000 0.717 1463 K HN 0.454 nan 8.250 nan 0.000 0.441 1464 E N 0.168 120.297 120.200 -0.118 0.000 2.058 1464 E HA -0.241 4.111 4.350 0.004 0.000 0.194 1464 E C 1.723 178.255 176.600 -0.113 0.000 0.997 1464 E CA 1.797 58.117 56.400 -0.133 0.000 0.801 1464 E CB -0.576 29.027 29.700 -0.162 0.000 0.746 1464 E HN 0.380 nan 8.360 nan 0.000 0.450 1465 N N 0.459 119.104 118.700 -0.090 0.000 2.453 1465 N HA -0.072 4.670 4.740 0.004 0.000 0.183 1465 N C 1.653 177.125 175.510 -0.064 0.000 1.041 1465 N CA 0.721 53.727 53.050 -0.072 0.000 0.900 1465 N CB 0.176 38.628 38.487 -0.058 0.000 0.961 1465 N HN 0.008 nan 8.380 nan 0.000 0.443 1466 V N 0.801 120.673 119.914 -0.069 0.000 2.407 1466 V HA -0.105 4.017 4.120 0.004 0.000 0.245 1466 V C 1.921 177.984 176.094 -0.052 0.000 1.041 1466 V CA 1.011 63.276 62.300 -0.059 0.000 1.040 1466 V CB -0.368 31.417 31.823 -0.064 0.000 0.671 1466 V HN 0.282 nan 8.190 nan 0.000 0.455 1467 I N -0.262 120.274 120.570 -0.055 0.000 2.185 1467 I HA -0.324 3.848 4.170 0.004 0.000 0.246 1467 I C 2.311 178.405 176.117 -0.038 0.000 1.088 1467 I CA 1.634 62.910 61.300 -0.039 0.000 1.347 1467 I CB -0.560 37.420 38.000 -0.034 0.000 1.041 1467 I HN 0.270 nan 8.210 nan 0.000 0.415 1468 L N 0.715 121.911 121.223 -0.046 0.000 2.291 1468 L HA 0.021 4.363 4.340 0.004 0.000 0.214 1468 L C 1.668 178.515 176.870 -0.038 0.000 1.120 1468 L CA 1.566 56.382 54.840 -0.040 0.000 0.799 1468 L CB -0.766 41.267 42.059 -0.043 0.000 0.925 1468 L HN 0.498 nan 8.230 nan 0.000 0.446 1469 G N -0.301 108.475 108.800 -0.041 0.000 2.160 1469 G HA2 -0.337 3.625 3.960 0.004 0.000 0.244 1469 G HA3 -0.337 3.625 3.960 0.004 0.000 0.244 1469 G C 0.525 175.398 174.900 -0.044 0.000 1.022 1469 G CA 0.382 45.458 45.100 -0.040 0.000 0.741 1469 G HN 0.353 nan 8.290 nan 0.000 0.508 1470 R N -0.736 119.736 120.500 -0.046 0.000 2.532 1470 R HA 0.708 5.050 4.340 0.004 0.000 0.272 1470 R C 0.940 177.207 176.300 -0.056 0.000 1.032 1470 R CA -0.917 55.154 56.100 -0.049 0.000 1.089 1470 R CB 0.473 30.747 30.300 -0.044 0.000 1.098 1470 R HN 0.219 nan 8.270 nan 0.000 0.526 1471 L N 3.278 124.461 121.223 -0.066 0.000 2.529 1471 L HA 0.011 4.353 4.340 0.004 0.000 0.287 1471 L C -0.085 176.751 176.870 -0.057 0.000 1.241 1471 L CA 0.029 54.823 54.840 -0.077 0.000 0.857 1471 L CB 0.433 42.430 42.059 -0.104 0.000 1.113 1471 L HN 0.484 nan 8.230 nan 0.000 0.504 1472 I N 4.570 125.109 120.570 -0.050 0.000 2.533 1472 I HA 0.078 4.250 4.170 0.004 0.000 0.284 1472 I C -1.571 174.533 176.117 -0.022 0.000 1.109 1472 I CA -1.936 59.345 61.300 -0.033 0.000 1.412 1472 I CB -0.085 37.902 38.000 -0.022 0.000 1.396 1472 I HN 0.490 nan 8.210 nan 0.000 0.543 1473 P HA -0.016 nan 4.420 nan 0.000 0.231 1473 P C 0.070 177.377 177.300 0.012 0.000 1.158 1473 P CA 0.964 64.062 63.100 -0.003 0.000 0.763 1473 P CB 0.462 32.154 31.700 -0.013 0.000 0.805 1474 A N -1.535 121.290 122.820 0.008 0.000 2.401 1474 A HA 0.742 5.064 4.320 0.004 0.000 0.310 1474 A C 0.654 178.253 177.584 0.026 0.000 1.075 1474 A CA -0.050 51.999 52.037 0.019 0.000 0.746 1474 A CB 1.247 20.251 19.000 0.007 0.000 1.277 1474 A HN 0.243 nan 8.150 nan 0.000 0.425 1475 G N 0.275 109.101 108.800 0.045 0.000 2.952 1475 G HA2 -0.145 3.817 3.960 0.004 0.000 0.226 1475 G HA3 -0.145 3.817 3.960 0.004 0.000 0.226 1475 G C 0.833 175.782 174.900 0.081 0.000 1.462 1475 G CA 0.668 45.802 45.100 0.056 0.000 1.157 1475 G HN 1.290 nan 8.290 nan 0.000 0.544 1476 T N 1.661 116.264 114.554 0.082 0.000 3.057 1476 T HA 0.321 4.673 4.350 0.004 0.000 0.254 1476 T C 2.201 176.923 174.700 0.038 0.000 1.094 1476 T CA 1.671 63.838 62.100 0.110 0.000 1.088 1476 T CB 0.037 69.040 68.868 0.225 0.000 0.934 1476 T HN 1.267 nan 8.240 nan 0.000 0.497 1477 G N 1.780 110.583 108.800 0.004 0.000 2.625 1477 G HA2 -0.070 3.892 3.960 0.004 0.000 0.214 1477 G HA3 -0.070 3.892 3.960 0.004 0.000 0.214 1477 G C 0.800 175.724 174.900 0.039 0.000 1.132 1477 G CA 0.237 45.326 45.100 -0.019 0.000 0.782 1477 G HN 0.527 nan 8.290 nan 0.000 0.538 1478 S N 0.736 116.481 115.700 0.076 0.000 2.629 1478 S HA -0.001 4.471 4.470 0.004 0.000 0.302 1478 S C 1.160 175.871 174.600 0.185 0.000 1.244 1478 S CA -0.007 58.272 58.200 0.132 0.000 1.098 1478 S CB 0.301 63.600 63.200 0.164 0.000 0.858 1478 S HN 0.259 nan 8.310 nan 0.000 0.502 1479 D N 4.151 124.678 120.400 0.210 0.000 2.221 1479 D HA -0.107 4.535 4.640 0.004 0.000 0.204 1479 D C 1.139 177.644 176.300 0.343 0.000 0.982 1479 D CA 1.003 55.177 54.000 0.290 0.000 0.857 1479 D CB -0.304 40.632 40.800 0.226 0.000 0.934 1479 D HN 0.717 nan 8.370 nan 0.000 0.475 1480 F N 0.550 120.580 119.950 0.133 0.000 2.171 1480 F HA -0.138 4.391 4.527 0.003 0.000 0.300 1480 F C 1.653 177.537 175.800 0.139 0.000 1.090 1480 F CA 1.004 59.072 58.000 0.114 0.000 1.293 1480 F CB 0.303 39.352 39.000 0.080 0.000 1.013 1480 F HN -0.151 nan 8.300 nan 0.000 0.486 1481 V N -0.997 119.008 119.914 0.152 0.000 3.337 1481 V HA 0.159 4.282 4.120 0.004 0.000 0.307 1481 V C 1.728 177.872 176.094 0.083 0.000 1.505 1481 V CA 0.085 62.406 62.300 0.035 0.000 1.072 1481 V CB -0.065 31.787 31.823 0.048 0.000 0.929 1481 V HN 0.120 nan 8.190 nan 0.000 0.455 1482 R N 0.789 121.349 120.500 0.101 0.000 2.200 1482 R HA -0.055 4.287 4.340 0.004 0.000 0.234 1482 R C -0.170 175.901 176.300 -0.382 0.000 1.127 1482 R CA 1.376 57.388 56.100 -0.146 0.000 0.989 1482 R CB 0.059 30.198 30.300 -0.268 0.000 0.869 1482 R HN 0.425 nan 8.270 nan 0.000 0.459 1483 F N -0.365 119.592 119.950 0.013 0.000 2.445 1483 F HA 0.385 4.914 4.527 0.005 0.000 0.348 1483 F C -0.667 175.113 175.800 -0.034 0.000 1.125 1483 F CA -0.626 57.373 58.000 -0.001 0.000 0.983 1483 F CB 2.322 41.316 39.000 -0.011 0.000 1.198 1483 F HN -0.290 nan 8.300 nan 0.000 0.436 1484 T N 3.228 117.856 114.554 0.124 0.000 3.578 1484 T HA 0.303 4.655 4.350 0.004 0.000 0.343 1484 T C -0.987 173.737 174.700 0.041 0.000 1.126 1484 T CA -0.984 61.146 62.100 0.050 0.000 1.092 1484 T CB 1.713 70.582 68.868 0.001 0.000 1.160 1484 T HN 0.266 nan 8.240 nan 0.000 0.469 1485 Q N 1.603 121.423 119.800 0.033 0.000 2.248 1485 Q HA 0.809 5.152 4.340 0.004 0.000 0.263 1485 Q C -0.056 175.949 176.000 0.008 0.000 1.007 1485 Q CA -1.008 54.810 55.803 0.026 0.000 0.877 1485 Q CB 2.330 31.088 28.738 0.033 0.000 1.315 1485 Q HN 0.655 nan 8.270 nan 0.000 0.454 1486 V N -2.069 117.848 119.914 0.005 0.000 2.769 1486 V HA 0.919 5.041 4.120 0.004 0.000 0.312 1486 V C -0.284 175.810 176.094 0.001 0.000 1.061 1486 V CA -0.754 61.545 62.300 -0.002 0.000 0.931 1486 V CB 1.988 33.805 31.823 -0.009 0.000 1.010 1486 V HN 0.490 nan 8.190 nan 0.000 0.433 1487 V N 2.115 122.028 119.914 -0.002 0.000 3.114 1487 V HA 0.583 4.705 4.120 0.004 0.000 0.308 1487 V C -1.562 174.531 176.094 -0.002 0.000 1.168 1487 V CA -0.475 61.825 62.300 -0.000 0.000 1.015 1487 V CB 2.434 34.258 31.823 0.001 0.000 1.050 1487 V HN 1.206 nan 8.190 nan 0.000 0.433 1488 D N 2.365 122.764 120.400 -0.001 0.000 2.248 1488 D HA 0.297 4.939 4.640 0.004 0.000 0.246 1488 D C 0.272 176.571 176.300 -0.001 0.000 1.027 1488 D CA -0.732 53.267 54.000 -0.001 0.000 0.853 1488 D CB 1.815 42.615 40.800 -0.001 0.000 1.243 1488 D HN 0.240 nan 8.370 nan 0.000 0.462 1489 Q N 0.985 120.784 119.800 -0.001 0.000 2.376 1489 Q HA -0.141 4.201 4.340 0.004 0.000 0.211 1489 Q C 1.371 177.371 176.000 -0.000 0.000 0.986 1489 Q CA 1.141 56.944 55.803 -0.001 0.000 0.886 1489 Q CB -0.211 28.526 28.738 -0.001 0.000 0.927 1489 Q HN 0.569 nan 8.270 nan 0.000 0.457 1490 K N -0.434 119.966 120.400 -0.000 0.000 2.103 1490 K HA -0.000 4.322 4.320 0.004 0.000 0.204 1490 K C 1.727 178.327 176.600 0.001 0.000 1.052 1490 K CA 1.293 57.580 56.287 0.000 0.000 0.945 1490 K CB 0.055 32.555 32.500 0.000 0.000 0.722 1490 K HN 0.135 nan 8.250 nan 0.000 0.443 1491 T N 2.060 116.615 114.554 0.001 0.000 3.081 1491 T HA 0.040 4.392 4.350 0.004 0.000 0.255 1491 T C 1.513 176.215 174.700 0.003 0.000 1.113 1491 T CA 0.103 62.205 62.100 0.002 0.000 1.082 1491 T CB 0.147 69.017 68.868 0.003 0.000 0.939 1491 T HN 0.038 nan 8.240 nan 0.000 0.506 1492 L N 1.046 122.270 121.223 0.002 0.000 2.095 1492 L HA 0.058 4.400 4.340 0.004 0.000 0.204 1492 L C 2.028 178.899 176.870 0.002 0.000 1.080 1492 L CA 1.690 56.531 54.840 0.002 0.000 0.759 1492 L CB -0.397 41.662 42.059 0.001 0.000 0.914 1492 L HN 0.079 nan 8.230 nan 0.000 0.439 1493 K N 0.109 120.510 120.400 0.001 0.000 2.062 1493 K HA 0.040 4.362 4.320 0.004 0.000 0.205 1493 K C 2.100 178.701 176.600 0.002 0.000 1.051 1493 K CA 1.191 57.478 56.287 0.001 0.000 0.941 1493 K CB -0.680 31.820 32.500 0.001 0.000 0.719 1493 K HN 0.253 nan 8.250 nan 0.000 0.440 1494 A N 1.510 124.331 122.820 0.002 0.000 1.883 1494 A HA -0.171 4.151 4.320 0.004 0.000 0.217 1494 A C 2.188 179.774 177.584 0.003 0.000 1.186 1494 A CA 1.577 53.615 52.037 0.003 0.000 0.624 1494 A CB -0.566 18.436 19.000 0.003 0.000 0.822 1494 A HN 0.146 nan 8.150 nan 0.000 0.444 1495 I N 0.546 121.118 120.570 0.003 0.000 2.394 1495 I HA -0.216 3.957 4.170 0.004 0.000 0.251 1495 I C 2.425 178.544 176.117 0.003 0.000 1.136 1495 I CA 1.761 63.063 61.300 0.004 0.000 1.425 1495 I CB -0.508 37.494 38.000 0.005 0.000 1.079 1495 I HN 0.701 nan 8.210 nan 0.000 0.425 1496 E N 0.276 120.477 120.200 0.003 0.000 2.208 1496 E HA -0.197 4.155 4.350 0.004 0.000 0.193 1496 E C 1.559 178.160 176.600 0.002 0.000 0.988 1496 E CA 0.920 57.322 56.400 0.002 0.000 0.828 1496 E CB -0.163 29.538 29.700 0.002 0.000 0.763 1496 E HN 0.354 nan 8.360 nan 0.000 0.478 1497 E N 0.723 120.924 120.200 0.002 0.000 2.274 1497 E HA -0.031 4.322 4.350 0.004 0.000 0.194 1497 E C 1.881 178.483 176.600 0.003 0.000 0.996 1497 E CA 1.010 57.412 56.400 0.002 0.000 0.840 1497 E CB 0.025 29.727 29.700 0.002 0.000 0.772 1497 E HN 0.469 nan 8.360 nan 0.000 0.491 1498 A N 0.969 123.791 122.820 0.003 0.000 1.970 1498 A HA -0.067 4.255 4.320 0.004 0.000 0.216 1498 A C 2.088 179.674 177.584 0.003 0.000 1.170 1498 A CA 0.663 52.702 52.037 0.003 0.000 0.645 1498 A CB -0.131 18.872 19.000 0.004 0.000 0.816 1498 A HN 0.061 nan 8.150 nan 0.000 0.447 1499 R N -0.271 120.230 120.500 0.003 0.000 2.127 1499 R HA 0.049 4.391 4.340 0.004 0.000 0.217 1499 R C 1.856 178.158 176.300 0.002 0.000 1.074 1499 R CA 0.996 57.097 56.100 0.003 0.000 0.991 1499 R CB -0.151 30.151 30.300 0.002 0.000 0.895 1499 R HN 0.405 nan 8.270 nan 0.000 0.450 1500 K N 0.714 121.115 120.400 0.002 0.000 2.155 1500 K HA -0.105 4.218 4.320 0.004 0.000 0.203 1500 K C 1.860 178.461 176.600 0.002 0.000 1.052 1500 K CA 0.683 56.971 56.287 0.002 0.000 0.948 1500 K CB 0.096 32.597 32.500 0.002 0.000 0.728 1500 K HN 0.073 nan 8.250 nan 0.000 0.448 1501 E N 0.970 121.171 120.200 0.002 0.000 2.418 1501 E HA -0.072 4.280 4.350 0.004 0.000 0.197 1501 E C 1.424 178.026 176.600 0.002 0.000 1.026 1501 E CA 0.310 56.711 56.400 0.002 0.000 0.862 1501 E CB 0.164 29.865 29.700 0.003 0.000 0.799 1501 E HN 0.238 nan 8.360 nan 0.000 0.518 1502 A N 0.444 123.265 122.820 0.002 0.000 2.067 1502 A HA -0.026 4.296 4.320 0.004 0.000 0.219 1502 A C 1.276 178.861 177.584 0.002 0.000 1.158 1502 A CA 0.270 52.308 52.037 0.002 0.000 0.661 1502 A CB -0.053 18.949 19.000 0.002 0.000 0.801 1502 A HN 0.058 nan 8.150 nan 0.000 0.452 1503 V N 2.921 122.836 119.914 0.002 0.000 2.403 1503 V HA 0.039 4.161 4.120 0.004 0.000 0.265 1503 V C -0.140 175.955 176.094 0.002 0.000 1.034 1503 V CA -0.289 62.013 62.300 0.002 0.000 1.036 1503 V CB -0.090 31.734 31.823 0.002 0.000 1.032 1503 V HN 0.394 nan 8.190 nan 0.000 0.478 1504 E N 4.192 124.393 120.200 0.002 0.000 2.360 1504 E HA 0.522 4.874 4.350 0.004 0.000 0.269 1504 E C 0.754 177.355 176.600 0.002 0.000 1.022 1504 E CA 0.639 57.040 56.400 0.002 0.000 0.887 1504 E CB 1.160 30.861 29.700 0.002 0.000 0.990 1504 E HN 0.946 nan 8.360 nan 0.000 0.426 1505 A N 0.000 122.821 122.820 0.002 0.000 2.254 1505 A HA 0.000 4.322 4.320 0.004 0.000 0.244 1505 A CA 0.000 52.038 52.037 0.002 0.000 0.836 1505 A CB 0.000 19.001 19.000 0.002 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486