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 3eql_1_D 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 AVISEIDGVV RIEETEEKLS VFVESEGFSK DATA SEQUENCE EYKLPKEARL LVKDGDYVEA GQPLTRGAID PHQLLEAKGP EAVERYLVEE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMMKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAEG KTPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQKT LKAIEEARKE DATA SEQUENCE AVEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.611 176.600 0.019 0.000 0.988 2 K CA 0.000 56.298 56.287 0.018 0.000 0.838 2 K CB 0.000 32.511 32.500 0.019 0.000 1.064 3 K N 1.587 121.998 120.400 0.018 0.000 2.274 3 K HA 0.285 4.592 4.320 -0.020 0.000 0.262 3 K C -0.838 175.772 176.600 0.018 0.000 0.961 3 K CA -0.786 55.513 56.287 0.020 0.000 0.833 3 K CB 2.212 34.724 32.500 0.021 0.000 1.102 3 K HN 0.015 nan 8.250 nan 0.000 0.436 4 E N 2.902 123.115 120.200 0.022 0.000 2.606 4 E HA -0.057 4.280 4.350 -0.020 0.000 0.248 4 E C -0.383 176.226 176.600 0.014 0.000 1.005 4 E CA -0.305 56.106 56.400 0.018 0.000 0.946 4 E CB 0.409 30.128 29.700 0.032 0.000 0.928 4 E HN 0.367 nan 8.360 nan 0.000 0.494 5 V N 6.542 126.458 119.914 0.005 0.000 2.458 5 V HA -0.049 4.059 4.120 -0.020 0.000 0.287 5 V C 1.461 177.556 176.094 0.002 0.000 1.009 5 V CA 0.514 62.816 62.300 0.003 0.000 1.091 5 V CB 0.525 32.344 31.823 -0.007 0.000 0.960 5 V HN 0.753 nan 8.190 nan 0.000 0.476 6 R N 2.704 123.210 120.500 0.010 0.000 2.257 6 R HA 0.250 4.578 4.340 -0.020 0.000 0.195 6 R C 0.080 176.383 176.300 0.005 0.000 0.921 6 R CA 0.228 56.332 56.100 0.007 0.000 1.069 6 R CB 0.645 30.956 30.300 0.018 0.000 1.115 6 R HN 0.610 nan 8.270 nan 0.000 0.571 7 K N 1.091 121.505 120.400 0.023 0.000 2.443 7 K HA 0.393 4.701 4.320 -0.020 0.000 0.252 7 K C -1.039 175.605 176.600 0.073 0.000 0.933 7 K CA -0.531 55.780 56.287 0.040 0.000 0.792 7 K CB 3.349 35.887 32.500 0.062 0.000 1.185 7 K HN -0.228 nan 8.250 nan 0.000 0.425 8 V N 2.524 122.492 119.914 0.091 0.000 2.612 8 V HA 0.518 4.625 4.120 -0.020 0.000 0.301 8 V C -0.162 176.231 176.094 0.500 0.000 1.046 8 V CA -0.748 61.672 62.300 0.200 0.000 0.946 8 V CB 1.566 33.447 31.823 0.098 0.000 1.003 8 V HN 0.743 nan 8.190 nan 0.000 0.459 9 R N 3.940 124.716 120.500 0.460 0.000 2.522 9 R HA 0.539 4.867 4.340 -0.020 0.000 0.283 9 R C -1.830 174.470 176.300 0.001 0.000 1.074 9 R CA -0.600 55.682 56.100 0.303 0.000 0.925 9 R CB 1.508 31.899 30.300 0.153 0.000 1.205 9 R HN 0.711 nan 8.270 nan 0.000 0.436 10 I N 3.486 123.748 120.570 -0.514 0.000 2.396 10 I HA 0.551 4.709 4.170 -0.020 0.000 0.292 10 I C 0.029 176.012 176.117 -0.223 0.000 0.999 10 I CA -0.542 60.533 61.300 -0.374 0.000 1.310 10 I CB 1.759 39.380 38.000 -0.631 0.000 1.404 10 I HN 0.745 nan 8.210 nan 0.000 0.496 11 A N 6.378 129.169 122.820 -0.048 0.000 2.572 11 A HA 0.598 4.905 4.320 -0.020 0.000 0.295 11 A C -0.738 176.909 177.584 0.106 0.000 1.072 11 A CA -0.608 51.440 52.037 0.019 0.000 0.691 11 A CB 1.364 20.395 19.000 0.052 0.000 1.291 11 A HN 0.680 nan 8.150 nan 0.000 0.404 12 L N 0.935 122.257 121.223 0.165 0.000 2.492 12 L HA 0.323 4.650 4.340 -0.020 0.000 0.280 12 L C 0.831 177.790 176.870 0.148 0.000 1.240 12 L CA 0.013 55.003 54.840 0.251 0.000 0.831 12 L CB 0.853 43.148 42.059 0.394 0.000 1.100 12 L HN 0.886 nan 8.230 nan 0.000 0.505 13 A N 2.772 125.639 122.820 0.079 0.000 2.253 13 A HA 0.468 4.776 4.320 -0.020 0.000 0.316 13 A C -0.080 177.232 177.584 -0.453 0.000 1.327 13 A CA -0.512 51.407 52.037 -0.197 0.000 0.917 13 A CB 0.400 19.305 19.000 -0.158 0.000 1.162 13 A HN 0.686 nan 8.150 nan 0.000 0.535 14 S N 4.703 119.852 115.700 -0.918 0.000 2.531 14 S HA 0.206 4.663 4.470 -0.020 0.000 0.279 14 S C -1.875 172.222 174.600 -0.838 0.000 1.305 14 S CA -0.739 56.569 58.200 -1.487 0.000 1.058 14 S CB 0.804 62.910 63.200 -1.824 0.000 0.899 14 S HN 0.535 nan 8.310 nan 0.000 0.493 15 P HA -0.228 nan 4.420 nan 0.000 0.217 15 P C 1.464 178.520 177.300 -0.406 0.000 1.148 15 P CA 1.257 64.146 63.100 -0.351 0.000 0.834 15 P CB 0.047 31.645 31.700 -0.170 0.000 0.783 16 E N -0.370 119.551 120.200 -0.465 0.000 2.152 16 E HA -0.169 4.169 4.350 -0.020 0.000 0.192 16 E C 1.944 178.270 176.600 -0.457 0.000 0.983 16 E CA 0.868 57.036 56.400 -0.386 0.000 0.818 16 E CB -0.613 28.901 29.700 -0.309 0.000 0.758 16 E HN 0.192 nan 8.360 nan 0.000 0.467 17 K N 0.401 120.437 120.400 -0.607 0.000 2.288 17 K HA -0.035 4.272 4.320 -0.020 0.000 0.201 17 K C 1.997 177.980 176.600 -1.028 0.000 1.048 17 K CA 0.386 56.230 56.287 -0.740 0.000 0.956 17 K CB 0.113 32.142 32.500 -0.785 0.000 0.746 17 K HN 0.092 nan 8.250 nan 0.000 0.461 18 I N 1.479 121.543 120.570 -0.843 0.000 2.163 18 I HA -0.296 3.862 4.170 -0.020 0.000 0.243 18 I C 1.997 177.887 176.117 -0.379 0.000 1.085 18 I CA 1.655 62.565 61.300 -0.651 0.000 1.347 18 I CB -0.873 36.930 38.000 -0.329 0.000 1.044 18 I HN 0.212 nan 8.210 nan 0.000 0.408 19 R N 0.066 120.313 120.500 -0.422 0.000 2.193 19 R HA -0.050 4.278 4.340 -0.020 0.000 0.213 19 R C 2.428 178.603 176.300 -0.209 0.000 1.055 19 R CA 1.146 57.002 56.100 -0.407 0.000 0.995 19 R CB -0.319 29.704 30.300 -0.462 0.000 0.893 19 R HN 0.317 nan 8.270 nan 0.000 0.459 20 S N 0.182 115.732 115.700 -0.250 0.000 2.382 20 S HA -0.132 4.326 4.470 -0.020 0.000 0.228 20 S C 1.394 176.041 174.600 0.079 0.000 1.027 20 S CA 0.778 58.899 58.200 -0.132 0.000 0.991 20 S CB -0.099 62.973 63.200 -0.212 0.000 0.823 20 S HN 0.459 nan 8.310 nan 0.000 0.469 21 W N 1.655 122.949 121.300 -0.010 0.000 2.476 21 W HA 0.409 5.057 4.660 -0.020 0.000 0.281 21 W C 1.783 178.380 176.519 0.130 0.000 1.230 21 W CA -0.263 57.110 57.345 0.046 0.000 1.287 21 W CB -1.644 27.822 29.460 0.010 0.000 1.108 21 W HN 0.267 nan 8.180 nan 0.000 0.567 22 S N -0.249 115.669 115.700 0.365 0.000 2.614 22 S HA 0.258 4.716 4.470 -0.020 0.000 0.265 22 S C -1.196 173.683 174.600 0.464 0.000 1.303 22 S CA -0.076 58.337 58.200 0.355 0.000 1.000 22 S CB 0.398 63.831 63.200 0.388 0.000 0.935 22 S HN -0.029 nan 8.310 nan 0.000 0.551 23 Y N 1.200 121.492 120.300 -0.013 0.000 2.326 23 Y HA 0.523 5.061 4.550 -0.020 0.000 0.329 23 Y C 0.775 176.576 175.900 -0.165 0.000 0.973 23 Y CA -0.487 57.557 58.100 -0.094 0.000 1.162 23 Y CB 1.060 39.413 38.460 -0.178 0.000 1.147 23 Y HN 1.059 nan 8.280 nan 0.000 0.456 24 G N 2.375 111.196 108.800 0.035 0.000 3.044 24 G HA2 -0.244 3.704 3.960 -0.020 0.000 0.648 24 G HA3 -0.244 3.704 3.960 -0.020 0.000 0.648 24 G C -0.374 174.374 174.900 -0.253 0.000 1.620 24 G CA -0.249 44.807 45.100 -0.073 0.000 1.109 24 G HN 0.762 nan 8.290 nan 0.000 0.587 25 E N -0.772 119.247 120.200 -0.300 0.000 2.214 25 E HA 0.503 4.841 4.350 -0.020 0.000 0.274 25 E C -0.041 176.429 176.600 -0.216 0.000 0.977 25 E CA -0.979 55.138 56.400 -0.472 0.000 0.827 25 E CB 1.428 30.909 29.700 -0.366 0.000 1.130 25 E HN 0.436 nan 8.360 nan 0.000 0.394 26 V N 5.195 125.012 119.914 -0.162 0.000 2.356 26 V HA 0.044 4.152 4.120 -0.020 0.000 0.258 26 V C 0.640 176.716 176.094 -0.029 0.000 1.065 26 V CA 0.230 62.516 62.300 -0.024 0.000 0.935 26 V CB 0.432 32.272 31.823 0.028 0.000 1.061 26 V HN 0.790 nan 8.190 nan 0.000 0.484 27 E N 3.484 123.674 120.200 -0.016 0.000 2.526 27 E HA 0.289 4.627 4.350 -0.020 0.000 0.208 27 E C 0.029 176.633 176.600 0.006 0.000 0.997 27 E CA -0.400 55.993 56.400 -0.010 0.000 0.961 27 E CB 0.844 30.534 29.700 -0.017 0.000 1.030 27 E HN 0.389 nan 8.360 nan 0.000 0.483 28 K N 1.221 121.630 120.400 0.015 0.000 2.498 28 K HA 0.268 4.576 4.320 -0.020 0.000 0.254 28 K C -2.524 174.093 176.600 0.027 0.000 0.933 28 K CA -2.219 54.080 56.287 0.020 0.000 0.806 28 K CB 2.276 34.786 32.500 0.018 0.000 1.301 28 K HN -0.274 nan 8.250 nan 0.000 0.432 29 P HA -0.029 nan 4.420 nan 0.000 0.244 29 P C -0.714 176.613 177.300 0.044 0.000 1.211 29 P CA 0.635 63.758 63.100 0.039 0.000 0.760 29 P CB 0.213 31.935 31.700 0.036 0.000 0.961 30 E N -0.959 119.266 120.200 0.042 0.000 2.130 30 E HA 0.145 4.483 4.350 -0.020 0.000 0.284 30 E C 0.856 177.500 176.600 0.073 0.000 1.018 30 E CA -0.156 56.269 56.400 0.043 0.000 0.817 30 E CB 0.624 30.338 29.700 0.024 0.000 1.078 30 E HN -0.017 nan 8.360 nan 0.000 0.396 31 T N 2.839 117.444 114.554 0.084 0.000 2.523 31 T HA -0.018 4.320 4.350 -0.020 0.000 0.253 31 T C 0.663 175.359 174.700 -0.007 0.000 1.139 31 T CA 0.733 62.922 62.100 0.149 0.000 1.230 31 T CB 0.039 68.952 68.868 0.076 0.000 0.871 31 T HN 0.350 nan 8.240 nan 0.000 0.396 32 I N 1.134 121.622 120.570 -0.137 0.000 2.548 32 I HA 0.301 4.459 4.170 -0.020 0.000 0.287 32 I C -1.464 174.558 176.117 -0.159 0.000 1.103 32 I CA -0.762 60.413 61.300 -0.210 0.000 1.049 32 I CB 2.091 39.870 38.000 -0.367 0.000 1.232 32 I HN 0.096 nan 8.210 nan 0.000 0.429 33 N N 4.847 123.463 118.700 -0.140 0.000 2.514 33 N HA 0.177 4.904 4.740 -0.020 0.000 0.277 33 N C 0.547 175.929 175.510 -0.213 0.000 1.126 33 N CA -0.236 52.715 53.050 -0.165 0.000 0.978 33 N CB 0.691 39.047 38.487 -0.218 0.000 1.106 33 N HN 0.472 nan 8.380 nan 0.000 0.461 34 Y N 1.832 122.026 120.300 -0.178 0.000 2.070 34 Y HA -0.146 4.392 4.550 -0.021 0.000 0.280 34 Y C 2.372 178.213 175.900 -0.098 0.000 1.148 34 Y CA 0.995 58.983 58.100 -0.188 0.000 1.125 34 Y CB -0.496 37.859 38.460 -0.175 0.000 0.975 34 Y HN 0.460 nan 8.280 nan 0.000 0.492 35 R N 0.973 121.159 120.500 -0.524 0.000 2.196 35 R HA -0.194 4.134 4.340 -0.020 0.000 0.244 35 R C 0.198 176.429 176.300 -0.115 0.000 1.121 35 R CA 2.484 58.440 56.100 -0.239 0.000 0.930 35 R CB -0.919 29.177 30.300 -0.339 0.000 0.890 35 R HN 0.627 nan 8.270 nan 0.000 0.435 36 T N -0.649 113.816 114.554 -0.148 0.000 2.770 36 T HA 0.399 4.737 4.350 -0.020 0.000 0.297 36 T C 0.226 174.883 174.700 -0.073 0.000 0.997 36 T CA -0.679 61.374 62.100 -0.078 0.000 0.949 36 T CB 1.256 70.081 68.868 -0.072 0.000 0.941 36 T HN 0.131 nan 8.240 nan 0.000 0.457 37 L N 3.816 125.026 121.223 -0.021 0.000 2.451 37 L HA 0.305 4.633 4.340 -0.020 0.000 0.272 37 L C 0.534 177.381 176.870 -0.039 0.000 1.258 37 L CA 0.232 55.062 54.840 -0.017 0.000 1.132 37 L CB -0.795 41.326 42.059 0.104 0.000 1.361 37 L HN 0.592 nan 8.230 nan 0.000 0.438 38 K N 2.539 122.894 120.400 -0.075 0.000 2.527 38 K HA 0.454 4.762 4.320 -0.020 0.000 0.260 38 K C -2.666 173.893 176.600 -0.068 0.000 0.937 38 K CA -2.034 54.217 56.287 -0.059 0.000 0.826 38 K CB 2.205 34.685 32.500 -0.034 0.000 1.359 38 K HN -0.080 nan 8.250 nan 0.000 0.434 39 P HA -0.099 nan 4.420 nan 0.000 0.261 39 P C -0.129 177.184 177.300 0.022 0.000 1.183 39 P CA 0.522 63.639 63.100 0.029 0.000 0.761 39 P CB 0.681 32.447 31.700 0.109 0.000 0.785 40 E N 3.622 123.834 120.200 0.021 0.000 2.226 40 E HA -0.044 4.294 4.350 -0.020 0.000 0.238 40 E C 1.619 178.228 176.600 0.014 0.000 0.859 40 E CA 0.135 56.534 56.400 -0.002 0.000 1.114 40 E CB 0.053 29.743 29.700 -0.017 0.000 1.184 40 E HN 0.237 nan 8.360 nan 0.000 0.517 41 R N 0.158 120.670 120.500 0.020 0.000 2.054 41 R HA -0.055 4.273 4.340 -0.020 0.000 0.223 41 R C -0.187 176.131 176.300 0.030 0.000 1.176 41 R CA 1.418 57.529 56.100 0.018 0.000 0.934 41 R CB 0.147 30.455 30.300 0.014 0.000 0.828 41 R HN 0.182 nan 8.270 nan 0.000 0.441 42 D N -1.110 119.314 120.400 0.039 0.000 2.914 42 D HA 0.286 4.914 4.640 -0.020 0.000 0.236 42 D C -0.979 175.354 176.300 0.055 0.000 1.405 42 D CA 0.045 54.074 54.000 0.048 0.000 0.900 42 D CB 0.946 41.759 40.800 0.023 0.000 1.518 42 D HN 0.449 nan 8.370 nan 0.000 0.548 43 G N -0.335 108.515 108.800 0.083 0.000 3.259 43 G HA2 0.355 4.302 3.960 -0.020 0.000 0.178 43 G HA3 0.355 4.302 3.960 -0.020 0.000 0.178 43 G C 0.958 175.877 174.900 0.031 0.000 1.129 43 G CA -0.498 44.638 45.100 0.059 0.000 0.816 43 G HN 0.198 nan 8.290 nan 0.000 0.634 44 L N -0.676 120.499 121.223 -0.081 0.000 2.017 44 L HA 0.147 4.475 4.340 -0.020 0.000 0.208 44 L C 0.473 176.871 176.870 -0.787 0.000 1.073 44 L CA 1.134 55.697 54.840 -0.462 0.000 0.745 44 L CB -0.331 41.427 42.059 -0.501 0.000 0.894 44 L HN 0.162 nan 8.230 nan 0.000 0.432 45 F N -0.493 119.276 119.950 -0.302 0.000 2.427 45 F HA 0.377 4.892 4.527 -0.021 0.000 0.346 45 F C -0.087 175.696 175.800 -0.029 0.000 1.120 45 F CA -0.728 57.117 58.000 -0.259 0.000 1.033 45 F CB 1.265 40.158 39.000 -0.178 0.000 1.126 45 F HN -0.152 nan 8.300 nan 0.000 0.462 46 D N 3.030 123.610 120.400 0.300 0.000 2.354 46 D HA 0.093 4.721 4.640 -0.020 0.000 0.230 46 D C 0.435 176.886 176.300 0.251 0.000 1.361 46 D CA -0.164 53.987 54.000 0.252 0.000 0.992 46 D CB 1.225 42.154 40.800 0.215 0.000 1.409 46 D HN 0.608 nan 8.370 nan 0.000 0.573 47 E N 0.980 121.281 120.200 0.168 0.000 2.279 47 E HA -0.279 4.059 4.350 -0.020 0.000 0.205 47 E C 1.963 178.629 176.600 0.110 0.000 1.028 47 E CA 1.692 58.169 56.400 0.129 0.000 0.830 47 E CB 0.148 29.898 29.700 0.082 0.000 0.736 47 E HN 0.523 nan 8.360 nan 0.000 0.478 48 R N 0.019 120.577 120.500 0.096 0.000 2.127 48 R HA 0.064 4.392 4.340 -0.020 0.000 0.217 48 R C 2.058 178.383 176.300 0.041 0.000 1.074 48 R CA 1.005 57.141 56.100 0.060 0.000 0.991 48 R CB -0.273 30.050 30.300 0.038 0.000 0.895 48 R HN 0.162 nan 8.270 nan 0.000 0.450 49 I N 0.173 120.755 120.570 0.019 0.000 2.235 49 I HA -0.069 4.089 4.170 -0.020 0.000 0.241 49 I C 1.581 177.457 176.117 -0.401 0.000 1.085 49 I CA 1.239 62.406 61.300 -0.221 0.000 1.378 49 I CB -0.130 37.621 38.000 -0.414 0.000 1.076 49 I HN -0.004 nan 8.210 nan 0.000 0.415 50 F N 0.528 120.459 119.950 -0.032 0.000 2.446 50 F HA 0.407 4.922 4.527 -0.021 0.000 0.292 50 F C 1.172 176.922 175.800 -0.084 0.000 1.096 50 F CA 0.497 58.434 58.000 -0.104 0.000 1.438 50 F CB -0.124 38.800 39.000 -0.127 0.000 1.107 50 F HN 0.111 nan 8.300 nan 0.000 0.546 51 G N -0.881 108.000 108.800 0.134 0.000 2.353 51 G HA2 0.203 4.151 3.960 -0.020 0.000 0.308 51 G HA3 0.203 4.151 3.960 -0.020 0.000 0.308 51 G C -3.292 171.641 174.900 0.055 0.000 1.418 51 G CA -1.310 43.827 45.100 0.061 0.000 0.966 51 G HN -0.332 nan 8.290 nan 0.000 0.638 52 P HA 0.293 nan 4.420 nan 0.000 0.271 52 P C 1.173 178.471 177.300 -0.004 0.000 1.233 52 P CA -0.397 62.707 63.100 0.006 0.000 0.764 52 P CB 1.049 32.734 31.700 -0.024 0.000 0.825 53 I N 3.374 123.956 120.570 0.019 0.000 2.193 53 I HA -0.103 4.055 4.170 -0.020 0.000 0.240 53 I C 0.961 177.076 176.117 -0.003 0.000 1.084 53 I CA 0.993 62.301 61.300 0.015 0.000 1.365 53 I CB 0.105 38.122 38.000 0.028 0.000 1.064 53 I HN 0.192 nan 8.210 nan 0.000 0.410 54 K N 1.579 121.982 120.400 0.005 0.000 2.326 54 K HA -0.024 4.283 4.320 -0.020 0.000 0.275 54 K C 0.626 177.220 176.600 -0.010 0.000 1.018 54 K CA -0.305 55.986 56.287 0.006 0.000 0.962 54 K CB 0.684 33.200 32.500 0.025 0.000 0.953 54 K HN 0.210 nan 8.250 nan 0.000 0.475 55 D N 2.348 122.742 120.400 -0.010 0.000 2.207 55 D HA -0.274 4.354 4.640 -0.020 0.000 0.262 55 D C 1.291 177.550 176.300 -0.069 0.000 1.356 55 D CA 1.970 55.949 54.000 -0.035 0.000 1.126 55 D CB -0.457 40.361 40.800 0.030 0.000 1.921 55 D HN 0.645 nan 8.370 nan 0.000 0.634 56 Y N 0.708 120.996 120.300 -0.020 0.000 2.500 56 Y HA 0.085 4.622 4.550 -0.021 0.000 0.270 56 Y C 1.286 177.186 175.900 -0.002 0.000 1.134 56 Y CA -0.020 58.064 58.100 -0.026 0.000 1.293 56 Y CB 0.484 38.908 38.460 -0.059 0.000 1.063 56 Y HN 0.060 nan 8.280 nan 0.000 0.534 57 E N 0.100 120.394 120.200 0.156 0.000 2.392 57 E HA 0.125 4.463 4.350 -0.020 0.000 0.256 57 E C 0.127 176.800 176.600 0.121 0.000 1.145 57 E CA -0.288 56.196 56.400 0.140 0.000 0.929 57 E CB 0.772 30.534 29.700 0.104 0.000 0.998 57 E HN 0.326 nan 8.360 nan 0.000 0.442 58 C N 1.186 120.575 119.300 0.149 0.000 2.576 58 C HA 0.793 5.241 4.460 -0.020 0.000 0.394 58 C C 1.629 176.674 174.990 0.092 0.000 1.876 58 C CA 0.193 59.283 59.018 0.121 0.000 1.858 58 C CB 0.123 27.958 27.740 0.159 0.000 1.943 58 C HN 0.861 nan 8.230 nan 0.000 0.479 59 A N -0.203 122.664 122.820 0.079 0.000 1.861 59 A HA -0.007 4.300 4.320 -0.020 0.000 0.212 59 A C 2.143 179.764 177.584 0.061 0.000 1.199 59 A CA 1.844 53.918 52.037 0.060 0.000 0.613 59 A CB -1.441 17.588 19.000 0.050 0.000 0.846 59 A HN 1.557 nan 8.150 nan 0.000 0.446 60 C N -2.459 116.884 119.300 0.072 0.000 2.468 60 C HA 0.491 4.939 4.460 -0.020 0.000 0.277 60 C C 2.005 177.035 174.990 0.067 0.000 1.400 60 C CA 0.442 59.497 59.018 0.061 0.000 1.770 60 C CB -0.602 27.174 27.740 0.061 0.000 1.905 60 C HN 1.677 nan 8.230 nan 0.000 0.519 61 G N 0.759 109.617 108.800 0.097 0.000 2.179 61 G HA2 -0.291 3.657 3.960 -0.020 0.000 0.220 61 G HA3 -0.291 3.657 3.960 -0.020 0.000 0.220 61 G C 0.872 175.828 174.900 0.094 0.000 0.990 61 G CA 0.556 45.713 45.100 0.094 0.000 0.646 61 G HN 0.616 nan 8.290 nan 0.000 0.517 62 K N -0.740 119.725 120.400 0.109 0.000 2.032 62 K HA -0.007 4.300 4.320 -0.020 0.000 0.209 62 K C 0.326 176.880 176.600 -0.077 0.000 1.048 62 K CA 1.228 57.526 56.287 0.018 0.000 0.927 62 K CB -0.113 32.441 32.500 0.090 0.000 0.712 62 K HN 0.415 nan 8.250 nan 0.000 0.441 63 Y N -0.035 120.324 120.300 0.098 0.000 2.341 63 Y HA 0.271 4.809 4.550 -0.021 0.000 0.337 63 Y C 0.716 176.815 175.900 0.332 0.000 1.014 63 Y CA -0.623 57.622 58.100 0.241 0.000 1.111 63 Y CB 2.004 40.618 38.460 0.258 0.000 1.194 63 Y HN -0.150 nan 8.280 nan 0.000 0.462 64 K N 1.426 122.153 120.400 0.544 0.000 2.511 64 K HA 0.222 4.530 4.320 -0.020 0.000 0.206 64 K C 0.442 177.106 176.600 0.106 0.000 1.333 64 K CA -0.039 56.411 56.287 0.272 0.000 0.957 64 K CB 1.142 33.743 32.500 0.169 0.000 1.172 64 K HN 0.553 nan 8.250 nan 0.000 0.547 65 R N 0.718 121.132 120.500 -0.143 0.000 2.923 65 R HA 0.138 4.466 4.340 -0.020 0.000 0.252 65 R C 1.164 176.971 176.300 -0.822 0.000 1.130 65 R CA -0.250 55.607 56.100 -0.404 0.000 1.043 65 R CB 1.281 31.399 30.300 -0.303 0.000 1.205 65 R HN -0.078 nan 8.270 nan 0.000 0.495 66 Q N 1.029 120.416 119.800 -0.688 0.000 2.029 66 Q HA -0.332 3.996 4.340 -0.020 0.000 0.209 66 Q C 1.609 177.268 176.000 -0.567 0.000 0.999 66 Q CA 2.298 57.608 55.803 -0.822 0.000 0.857 66 Q CB -0.111 28.108 28.738 -0.866 0.000 0.926 66 Q HN 0.484 nan 8.270 nan 0.000 0.415 67 R N 0.518 120.738 120.500 -0.467 0.000 2.196 67 R HA -0.219 4.109 4.340 -0.020 0.000 0.244 67 R C 0.779 177.020 176.300 -0.097 0.000 1.121 67 R CA 2.232 58.203 56.100 -0.215 0.000 0.930 67 R CB -1.305 28.954 30.300 -0.069 0.000 0.890 67 R HN 0.467 nan 8.270 nan 0.000 0.435 68 F N 1.110 121.084 119.950 0.039 0.000 2.679 68 F HA 0.254 4.769 4.527 -0.020 0.000 0.351 68 F C -0.195 175.658 175.800 0.090 0.000 1.279 68 F CA -0.572 57.471 58.000 0.073 0.000 1.227 68 F CB -0.633 38.444 39.000 0.128 0.000 1.623 68 F HN 0.081 nan 8.300 nan 0.000 0.666 69 E N 2.678 122.938 120.200 0.101 0.000 2.081 69 E HA 0.497 4.835 4.350 -0.020 0.000 0.281 69 E C 0.962 177.650 176.600 0.147 0.000 0.986 69 E CA -0.087 56.406 56.400 0.155 0.000 0.796 69 E CB 0.622 30.411 29.700 0.147 0.000 1.085 69 E HN 0.897 nan 8.360 nan 0.000 0.398 70 G N 4.470 113.351 108.800 0.134 0.000 2.231 70 G HA2 -0.215 3.733 3.960 -0.020 0.000 0.206 70 G HA3 -0.215 3.733 3.960 -0.020 0.000 0.206 70 G C -0.072 174.857 174.900 0.048 0.000 0.996 70 G CA -0.250 44.897 45.100 0.078 0.000 0.645 70 G HN 0.498 nan 8.290 nan 0.000 0.498 71 K N 0.520 120.957 120.400 0.060 0.000 2.144 71 K HA 0.641 4.949 4.320 -0.020 0.000 0.270 71 K C -0.281 176.241 176.600 -0.130 0.000 1.005 71 K CA -0.520 55.749 56.287 -0.031 0.000 0.932 71 K CB 2.811 35.296 32.500 -0.025 0.000 1.021 71 K HN 0.122 nan 8.250 nan 0.000 0.462 72 V N 2.771 122.585 119.914 -0.167 0.000 2.532 72 V HA 0.127 4.234 4.120 -0.020 0.000 0.295 72 V C 0.036 175.948 176.094 -0.304 0.000 1.041 72 V CA -0.724 61.469 62.300 -0.179 0.000 0.926 72 V CB 1.456 33.222 31.823 -0.095 0.000 0.992 72 V HN 1.009 nan 8.190 nan 0.000 0.457 73 C N 4.451 123.597 119.300 -0.257 0.000 2.705 73 C HA 0.250 4.698 4.460 -0.020 0.000 0.365 73 C C 1.574 176.528 174.990 -0.060 0.000 1.353 73 C CA 0.238 59.141 59.018 -0.192 0.000 2.339 73 C CB 0.379 28.113 27.740 -0.010 0.000 2.576 73 C HN 1.109 nan 8.230 nan 0.000 0.716 74 E N 0.108 120.331 120.200 0.038 0.000 2.110 74 E HA 0.077 4.415 4.350 -0.020 0.000 0.193 74 E C 2.295 178.915 176.600 0.034 0.000 0.950 74 E CA 0.839 57.261 56.400 0.037 0.000 0.840 74 E CB -0.027 29.716 29.700 0.072 0.000 0.809 74 E HN 0.581 nan 8.360 nan 0.000 0.465 75 R N -0.213 120.317 120.500 0.050 0.000 2.200 75 R HA 0.150 4.478 4.340 -0.020 0.000 0.208 75 R C 0.249 176.567 176.300 0.031 0.000 1.033 75 R CA 0.736 56.857 56.100 0.035 0.000 1.000 75 R CB 0.149 30.471 30.300 0.037 0.000 0.906 75 R HN 0.252 nan 8.270 nan 0.000 0.462 76 C N -0.635 118.688 119.300 0.038 0.000 2.344 76 C HA 0.665 5.113 4.460 -0.020 0.000 0.326 76 C C 0.678 175.683 174.990 0.025 0.000 1.201 76 C CA -1.414 57.624 59.018 0.034 0.000 1.410 76 C CB 0.623 28.389 27.740 0.044 0.000 2.070 76 C HN 0.343 nan 8.230 nan 0.000 0.445 77 G N 2.941 111.751 108.800 0.016 0.000 2.298 77 G HA2 0.479 4.426 3.960 -0.020 0.000 0.263 77 G HA3 0.479 4.426 3.960 -0.020 0.000 0.263 77 G C -0.551 174.356 174.900 0.011 0.000 1.229 77 G CA 0.150 45.252 45.100 0.004 0.000 0.976 77 G HN 1.341 nan 8.290 nan 0.000 0.459 78 V N 3.140 123.052 119.914 -0.005 0.000 2.697 78 V HA 0.247 4.355 4.120 -0.020 0.000 0.296 78 V C -0.464 175.624 176.094 -0.010 0.000 1.140 78 V CA -0.863 61.441 62.300 0.007 0.000 0.921 78 V CB 1.925 33.764 31.823 0.027 0.000 1.036 78 V HN 0.914 nan 8.190 nan 0.000 0.438 79 E N 4.325 124.525 120.200 0.001 0.000 2.166 79 E HA 0.792 5.130 4.350 -0.020 0.000 0.275 79 E C -1.611 174.980 176.600 -0.015 0.000 0.941 79 E CA -0.433 55.968 56.400 0.001 0.000 0.784 79 E CB 2.083 31.791 29.700 0.013 0.000 1.115 79 E HN 0.488 nan 8.360 nan 0.000 0.399 80 V N 2.440 122.338 119.914 -0.026 0.000 2.925 80 V HA 0.590 4.697 4.120 -0.020 0.000 0.311 80 V C -0.307 175.572 176.094 -0.359 0.000 1.104 80 V CA -0.802 61.406 62.300 -0.154 0.000 0.954 80 V CB 2.111 33.844 31.823 -0.149 0.000 1.022 80 V HN 0.786 nan 8.190 nan 0.000 0.427 81 T N 1.039 115.287 114.554 -0.509 0.000 2.864 81 T HA 0.449 4.787 4.350 -0.020 0.000 0.299 81 T C -0.249 174.123 174.700 -0.547 0.000 1.166 81 T CA -0.781 60.916 62.100 -0.670 0.000 1.007 81 T CB 2.379 71.064 68.868 -0.306 0.000 1.219 81 T HN 0.764 nan 8.240 nan 0.000 0.506 82 K N 0.438 120.571 120.400 -0.444 0.000 2.177 82 K HA 0.037 4.345 4.320 -0.020 0.000 0.246 82 K C 1.442 177.922 176.600 -0.201 0.000 1.077 82 K CA 0.554 56.687 56.287 -0.257 0.000 0.786 82 K CB -0.056 32.357 32.500 -0.146 0.000 1.073 82 K HN 0.513 nan 8.250 nan 0.000 0.530 83 S N 0.243 115.860 115.700 -0.138 0.000 2.500 83 S HA -0.140 4.318 4.470 -0.020 0.000 0.239 83 S C 1.727 176.228 174.600 -0.165 0.000 0.989 83 S CA 1.235 59.366 58.200 -0.115 0.000 0.951 83 S CB -0.819 62.338 63.200 -0.072 0.000 0.759 83 S HN 0.587 nan 8.310 nan 0.000 0.523 84 I N -0.002 120.430 120.570 -0.229 0.000 2.208 84 I HA -0.141 4.017 4.170 -0.020 0.000 0.245 84 I C 1.921 177.747 176.117 -0.486 0.000 1.097 84 I CA 1.226 62.291 61.300 -0.392 0.000 1.363 84 I CB -1.003 36.730 38.000 -0.446 0.000 1.051 84 I HN 0.117 nan 8.210 nan 0.000 0.413 85 V N 0.603 120.321 119.914 -0.327 0.000 2.568 85 V HA -0.223 3.885 4.120 -0.020 0.000 0.253 85 V C 2.785 178.780 176.094 -0.164 0.000 1.072 85 V CA 2.014 64.173 62.300 -0.234 0.000 1.084 85 V CB -1.435 30.309 31.823 -0.132 0.000 0.676 85 V HN 0.466 nan 8.190 nan 0.000 0.469 86 R N 0.447 120.865 120.500 -0.135 0.000 2.096 86 R HA -0.148 4.180 4.340 -0.020 0.000 0.235 86 R C 2.593 178.870 176.300 -0.039 0.000 1.127 86 R CA 1.720 57.791 56.100 -0.048 0.000 0.968 86 R CB -0.220 30.068 30.300 -0.021 0.000 0.861 86 R HN 0.527 nan 8.270 nan 0.000 0.440 87 R N -0.800 119.633 120.500 -0.113 0.000 2.189 87 R HA -0.104 4.224 4.340 -0.020 0.000 0.218 87 R C 1.006 177.392 176.300 0.143 0.000 1.074 87 R CA 1.266 57.337 56.100 -0.049 0.000 0.991 87 R CB 0.091 30.305 30.300 -0.143 0.000 0.883 87 R HN 0.398 nan 8.270 nan 0.000 0.457 88 Y N -0.695 119.559 120.300 -0.077 0.000 2.462 88 Y HA 0.260 4.797 4.550 -0.021 0.000 0.253 88 Y C 0.552 176.361 175.900 -0.150 0.000 1.095 88 Y CA -0.844 57.195 58.100 -0.102 0.000 1.283 88 Y CB 0.608 39.012 38.460 -0.094 0.000 1.138 88 Y HN -0.150 nan 8.280 nan 0.000 0.522 89 R N 1.078 121.553 120.500 -0.041 0.000 2.539 89 R HA 0.243 4.571 4.340 -0.020 0.000 0.275 89 R C -0.272 175.917 176.300 -0.184 0.000 1.077 89 R CA 0.047 55.974 56.100 -0.288 0.000 1.097 89 R CB 0.630 30.589 30.300 -0.568 0.000 1.018 89 R HN -0.031 nan 8.270 nan 0.000 0.483 90 M N 1.052 120.489 119.600 -0.271 0.000 2.436 90 M HA 0.382 4.850 4.480 -0.020 0.000 0.331 90 M C 0.262 176.467 176.300 -0.158 0.000 1.135 90 M CA -0.486 54.761 55.300 -0.088 0.000 0.987 90 M CB 2.059 34.661 32.600 0.002 0.000 1.687 90 M HN 0.765 nan 8.290 nan 0.000 0.445 91 G N 1.475 110.228 108.800 -0.078 0.000 2.537 91 G HA2 0.749 4.697 3.960 -0.020 0.000 0.308 91 G HA3 0.749 4.697 3.960 -0.020 0.000 0.308 91 G C -1.236 173.718 174.900 0.089 0.000 1.237 91 G CA -0.359 44.619 45.100 -0.205 0.000 0.968 91 G HN 0.859 nan 8.290 nan 0.000 0.481 92 H N -1.202 117.877 119.070 0.014 0.000 2.894 92 H HA 0.681 5.225 4.556 -0.021 0.000 0.368 92 H C -1.552 173.809 175.328 0.056 0.000 1.181 92 H CA -1.044 55.043 56.048 0.064 0.000 1.146 92 H CB 1.948 31.739 29.762 0.047 0.000 1.839 92 H HN 0.344 nan 8.280 nan 0.000 0.557 93 I N 1.212 121.852 120.570 0.116 0.000 2.509 93 I HA 0.215 4.372 4.170 -0.020 0.000 0.293 93 I C -0.230 175.968 176.117 0.136 0.000 1.020 93 I CA -0.602 60.727 61.300 0.048 0.000 1.088 93 I CB 2.378 40.427 38.000 0.082 0.000 1.267 93 I HN 0.459 nan 8.210 nan 0.000 0.430 94 E N 6.075 126.335 120.200 0.101 0.000 2.113 94 E HA 0.418 4.756 4.350 -0.020 0.000 0.273 94 E C -0.963 175.665 176.600 0.047 0.000 0.924 94 E CA -0.781 55.682 56.400 0.105 0.000 0.764 94 E CB 2.014 31.790 29.700 0.126 0.000 1.104 94 E HN 0.423 nan 8.360 nan 0.000 0.406 95 L N 2.375 123.617 121.223 0.032 0.000 2.485 95 L HA -0.010 4.317 4.340 -0.020 0.000 0.275 95 L C 1.447 178.315 176.870 -0.003 0.000 1.207 95 L CA 0.106 54.949 54.840 0.005 0.000 0.855 95 L CB 0.610 42.661 42.059 -0.012 0.000 1.114 95 L HN 0.707 nan 8.230 nan 0.000 0.485 96 A N 2.621 125.433 122.820 -0.013 0.000 1.823 96 A HA -0.059 4.248 4.320 -0.020 0.000 0.214 96 A C 0.955 178.524 177.584 -0.024 0.000 1.227 96 A CA 1.275 53.302 52.037 -0.016 0.000 0.616 96 A CB -0.437 18.551 19.000 -0.020 0.000 0.874 96 A HN 0.663 nan 8.150 nan 0.000 0.455 97 T N 1.962 116.493 114.554 -0.040 0.000 2.749 97 T HA 0.511 4.849 4.350 -0.020 0.000 0.287 97 T C -2.458 172.200 174.700 -0.071 0.000 0.970 97 T CA -0.930 61.138 62.100 -0.052 0.000 0.980 97 T CB 1.274 70.104 68.868 -0.063 0.000 0.924 97 T HN 0.147 nan 8.240 nan 0.000 0.456 98 P HA 0.246 nan 4.420 nan 0.000 0.274 98 P C -0.908 176.310 177.300 -0.138 0.000 1.224 98 P CA 0.002 63.058 63.100 -0.073 0.000 0.803 98 P CB 0.424 32.097 31.700 -0.045 0.000 0.876 99 A N -0.495 122.238 122.820 -0.146 0.000 2.599 99 A HA 0.793 5.100 4.320 -0.020 0.000 0.290 99 A C -1.523 175.973 177.584 -0.148 0.000 1.101 99 A CA -0.062 51.833 52.037 -0.238 0.000 0.674 99 A CB 1.216 20.077 19.000 -0.232 0.000 1.277 99 A HN 0.552 nan 8.150 nan 0.000 0.419 100 A N -0.324 122.405 122.820 -0.152 0.000 2.435 100 A HA 0.731 5.039 4.320 -0.020 0.000 0.296 100 A C -0.483 177.186 177.584 0.140 0.000 1.147 100 A CA -0.574 51.516 52.037 0.088 0.000 0.775 100 A CB 0.549 19.714 19.000 0.275 0.000 1.340 100 A HN 0.932 nan 8.150 nan 0.000 0.427 101 H N 0.664 119.802 119.070 0.114 0.000 3.034 101 H HA 0.075 4.619 4.556 -0.021 0.000 0.324 101 H C 0.814 176.234 175.328 0.152 0.000 1.015 101 H CA 1.125 57.189 56.048 0.026 0.000 1.429 101 H CB 0.860 30.543 29.762 -0.131 0.000 1.429 101 H HN 0.587 nan 8.280 nan 0.000 0.585 102 I N 4.133 124.811 120.570 0.180 0.000 2.761 102 I HA -0.218 3.940 4.170 -0.020 0.000 0.261 102 I C 1.270 177.640 176.117 0.422 0.000 1.198 102 I CA 0.197 61.689 61.300 0.321 0.000 1.482 102 I CB 0.040 38.194 38.000 0.257 0.000 1.100 102 I HN 0.635 nan 8.210 nan 0.000 0.445 103 W N 0.260 121.652 121.300 0.153 0.000 2.392 103 W HA -0.150 4.497 4.660 -0.021 0.000 0.279 103 W C 1.955 178.595 176.519 0.201 0.000 1.225 103 W CA 1.287 58.677 57.345 0.074 0.000 1.233 103 W CB -0.608 28.784 29.460 -0.113 0.000 1.122 103 W HN 0.125 nan 8.180 nan 0.000 0.561 104 F N -2.848 117.346 119.950 0.407 0.000 2.694 104 F HA -0.016 4.498 4.527 -0.021 0.000 0.292 104 F C 1.822 177.734 175.800 0.185 0.000 1.121 104 F CA -0.073 58.066 58.000 0.231 0.000 1.352 104 F CB -0.140 38.986 39.000 0.211 0.000 1.107 104 F HN -0.410 nan 8.300 nan 0.000 0.597 105 V N -0.135 120.030 119.914 0.419 0.000 2.379 105 V HA -0.092 4.015 4.120 -0.020 0.000 0.243 105 V C 0.609 176.810 176.094 0.178 0.000 1.035 105 V CA 1.377 63.829 62.300 0.253 0.000 1.035 105 V CB -0.161 31.855 31.823 0.322 0.000 0.673 105 V HN 0.040 nan 8.190 nan 0.000 0.457 106 K N 1.201 121.726 120.400 0.209 0.000 2.484 106 K HA 0.349 4.656 4.320 -0.020 0.000 0.226 106 K C -1.330 175.346 176.600 0.128 0.000 1.031 106 K CA -0.177 56.192 56.287 0.136 0.000 1.026 106 K CB 0.875 33.441 32.500 0.109 0.000 1.412 106 K HN 0.164 nan 8.250 nan 0.000 0.492 107 D N 1.093 121.564 120.400 0.117 0.000 2.787 107 D HA 0.129 4.757 4.640 -0.020 0.000 0.246 107 D C 1.352 177.708 176.300 0.093 0.000 1.150 107 D CA -0.667 53.394 54.000 0.101 0.000 0.864 107 D CB 2.049 42.916 40.800 0.112 0.000 1.481 107 D HN -0.002 nan 8.370 nan 0.000 0.509 108 V N 3.448 123.411 119.914 0.080 0.000 2.240 108 V HA -0.210 3.897 4.120 -0.020 0.000 0.257 108 V C -1.321 174.810 176.094 0.061 0.000 1.067 108 V CA 1.737 64.070 62.300 0.057 0.000 1.067 108 V CB -1.465 30.380 31.823 0.038 0.000 0.683 108 V HN 0.666 nan 8.190 nan 0.000 0.461 109 P HA 0.238 nan 4.420 nan 0.000 0.262 109 P C -0.422 176.912 177.300 0.057 0.000 1.620 109 P CA 0.189 63.329 63.100 0.065 0.000 1.089 109 P CB 0.707 32.456 31.700 0.080 0.000 1.601 110 S N 3.450 119.180 115.700 0.049 0.000 2.811 110 S HA -0.071 4.386 4.470 -0.020 0.000 0.325 110 S C 1.285 175.913 174.600 0.045 0.000 1.224 110 S CA 0.043 58.275 58.200 0.054 0.000 1.125 110 S CB -0.166 63.051 63.200 0.027 0.000 0.867 110 S HN 0.240 nan 8.310 nan 0.000 0.512 111 K N 3.851 124.280 120.400 0.050 0.000 2.515 111 K HA -0.058 4.249 4.320 -0.020 0.000 0.196 111 K C 1.559 178.185 176.600 0.044 0.000 1.038 111 K CA 1.310 57.600 56.287 0.005 0.000 0.967 111 K CB -0.204 32.228 32.500 -0.112 0.000 0.780 111 K HN 0.911 nan 8.250 nan 0.000 0.483 112 I N -3.967 116.638 120.570 0.058 0.000 3.339 112 I HA 0.134 4.291 4.170 -0.020 0.000 0.285 112 I C 1.920 178.047 176.117 0.015 0.000 1.201 112 I CA 0.601 61.928 61.300 0.045 0.000 1.434 112 I CB -0.131 37.910 38.000 0.068 0.000 1.152 112 I HN -0.133 nan 8.210 nan 0.000 0.443 113 G N 1.052 109.854 108.800 0.004 0.000 2.432 113 G HA2 -0.161 3.786 3.960 -0.020 0.000 0.219 113 G HA3 -0.161 3.786 3.960 -0.020 0.000 0.219 113 G C 1.436 176.340 174.900 0.006 0.000 1.135 113 G CA 1.491 46.587 45.100 -0.007 0.000 0.767 113 G HN 0.405 nan 8.290 nan 0.000 0.550 114 T N 0.753 115.317 114.554 0.016 0.000 2.698 114 T HA -0.028 4.310 4.350 -0.020 0.000 0.260 114 T C 2.223 176.937 174.700 0.024 0.000 1.044 114 T CA 1.032 63.145 62.100 0.020 0.000 1.149 114 T CB -0.259 68.624 68.868 0.024 0.000 0.864 114 T HN 0.164 nan 8.240 nan 0.000 0.419 115 L N 0.552 121.797 121.223 0.037 0.000 1.937 115 L HA 0.123 4.451 4.340 -0.020 0.000 0.213 115 L C 0.512 177.382 176.870 0.001 0.000 1.077 115 L CA 1.246 56.106 54.840 0.035 0.000 0.758 115 L CB -0.411 41.683 42.059 0.057 0.000 0.888 115 L HN 0.149 nan 8.230 nan 0.000 0.433 116 L N 1.420 122.637 121.223 -0.010 0.000 2.562 116 L HA -0.044 4.284 4.340 -0.020 0.000 0.271 116 L C -0.363 176.503 176.870 -0.006 0.000 1.167 116 L CA 0.502 55.332 54.840 -0.016 0.000 0.917 116 L CB -0.016 42.035 42.059 -0.014 0.000 1.187 116 L HN 0.255 nan 8.230 nan 0.000 0.482 117 D N 4.866 125.263 120.400 -0.005 0.000 2.383 117 D HA 0.363 4.991 4.640 -0.020 0.000 0.245 117 D C -0.961 175.339 176.300 -0.001 0.000 1.263 117 D CA 0.199 54.199 54.000 -0.001 0.000 0.936 117 D CB 0.175 40.976 40.800 0.001 0.000 1.053 117 D HN 0.231 nan 8.370 nan 0.000 0.507 118 L N 1.602 122.824 121.223 -0.001 0.000 2.408 118 L HA 0.397 4.724 4.340 -0.020 0.000 0.268 118 L C 0.222 177.090 176.870 -0.003 0.000 0.986 118 L CA -1.209 53.630 54.840 -0.001 0.000 0.820 118 L CB 2.044 44.100 42.059 -0.005 0.000 1.303 118 L HN 0.007 nan 8.230 nan 0.000 0.411 119 S N 1.896 117.596 115.700 -0.000 0.000 2.946 119 S HA -0.033 4.424 4.470 -0.020 0.000 0.349 119 S C 1.477 176.073 174.600 -0.007 0.000 1.189 119 S CA 0.372 58.571 58.200 -0.002 0.000 1.285 119 S CB 0.562 63.762 63.200 -0.000 0.000 1.010 119 S HN 0.801 nan 8.310 nan 0.000 0.538 120 A N 4.697 127.514 122.820 -0.005 0.000 1.916 120 A HA -0.328 3.980 4.320 -0.020 0.000 0.224 120 A C 2.396 179.972 177.584 -0.013 0.000 1.366 120 A CA 2.835 54.868 52.037 -0.006 0.000 0.692 120 A CB -1.702 17.300 19.000 0.003 0.000 0.841 120 A HN 0.824 nan 8.150 nan 0.000 0.480 121 T N -4.020 110.530 114.554 -0.008 0.000 2.967 121 T HA 0.109 4.447 4.350 -0.020 0.000 0.238 121 T C 1.731 176.426 174.700 -0.009 0.000 1.024 121 T CA 1.052 63.147 62.100 -0.008 0.000 1.234 121 T CB -0.377 68.490 68.868 -0.002 0.000 0.931 121 T HN 0.458 nan 8.240 nan 0.000 0.417 122 E N 0.363 120.560 120.200 -0.004 0.000 2.285 122 E HA 0.102 4.440 4.350 -0.020 0.000 0.194 122 E C 1.971 178.580 176.600 0.014 0.000 0.997 122 E CA 0.118 56.520 56.400 0.003 0.000 0.845 122 E CB -0.101 29.596 29.700 -0.005 0.000 0.782 122 E HN 0.213 nan 8.360 nan 0.000 0.491 123 L N 1.156 122.384 121.223 0.008 0.000 2.131 123 L HA -0.171 4.157 4.340 -0.020 0.000 0.210 123 L C 1.905 178.797 176.870 0.037 0.000 1.092 123 L CA 1.630 56.483 54.840 0.022 0.000 0.759 123 L CB -0.158 41.908 42.059 0.013 0.000 0.903 123 L HN 0.090 nan 8.230 nan 0.000 0.435 124 E N -1.200 118.994 120.200 -0.010 0.000 2.016 124 E HA -0.253 4.085 4.350 -0.020 0.000 0.190 124 E C 2.053 178.697 176.600 0.073 0.000 0.985 124 E CA 0.913 57.265 56.400 -0.081 0.000 0.802 124 E CB -0.123 29.401 29.700 -0.292 0.000 0.762 124 E HN 0.459 nan 8.360 nan 0.000 0.448 125 Q N 0.699 120.559 119.800 0.101 0.000 2.297 125 Q HA -0.167 4.161 4.340 -0.020 0.000 0.208 125 Q C 1.957 178.137 176.000 0.300 0.000 0.981 125 Q CA 0.793 56.739 55.803 0.239 0.000 0.876 125 Q CB 0.161 28.954 28.738 0.092 0.000 0.921 125 Q HN 0.112 nan 8.270 nan 0.000 0.446 126 V N 0.768 120.825 119.914 0.238 0.000 2.223 126 V HA -0.277 3.831 4.120 -0.020 0.000 0.244 126 V C 2.167 178.556 176.094 0.492 0.000 1.045 126 V CA 1.978 64.480 62.300 0.337 0.000 1.000 126 V CB -0.617 31.306 31.823 0.167 0.000 0.635 126 V HN 0.588 nan 8.190 nan 0.000 0.445 127 L N -2.163 119.258 121.223 0.329 0.000 2.131 127 L HA 0.017 4.345 4.340 -0.020 0.000 0.206 127 L C 2.339 179.363 176.870 0.257 0.000 1.087 127 L CA 1.640 56.622 54.840 0.236 0.000 0.767 127 L CB -1.587 40.580 42.059 0.181 0.000 0.917 127 L HN 0.200 nan 8.230 nan 0.000 0.441 128 Y N 0.479 120.864 120.300 0.142 0.000 1.993 128 Y HA -0.238 4.299 4.550 -0.021 0.000 0.267 128 Y C 2.392 178.314 175.900 0.036 0.000 1.155 128 Y CA 2.125 60.293 58.100 0.114 0.000 1.105 128 Y CB -0.854 37.793 38.460 0.311 0.000 0.960 128 Y HN 0.171 nan 8.280 nan 0.000 0.486 129 F N -2.054 118.019 119.950 0.204 0.000 2.619 129 F HA 0.101 4.616 4.527 -0.020 0.000 0.293 129 F C 1.830 177.648 175.800 0.030 0.000 1.119 129 F CA 0.744 58.795 58.000 0.086 0.000 1.445 129 F CB -0.256 38.814 39.000 0.117 0.000 1.119 129 F HN -0.109 nan 8.300 nan 0.000 0.573 130 S N -0.554 115.252 115.700 0.177 0.000 2.816 130 S HA 0.339 4.797 4.470 -0.020 0.000 0.253 130 S C 0.887 175.301 174.600 -0.310 0.000 1.055 130 S CA -0.489 57.677 58.200 -0.057 0.000 1.032 130 S CB 0.749 63.947 63.200 -0.002 0.000 1.270 130 S HN 0.047 nan 8.310 nan 0.000 0.587 131 K N 0.380 120.339 120.400 -0.735 0.000 2.399 131 K HA 0.186 4.493 4.320 -0.020 0.000 0.204 131 K C -1.015 175.175 176.600 -0.683 0.000 1.023 131 K CA -0.014 55.926 56.287 -0.578 0.000 1.127 131 K CB 0.132 32.402 32.500 -0.384 0.000 0.856 131 K HN 0.467 nan 8.250 nan 0.000 0.514 132 Y N 2.750 123.064 120.300 0.023 0.000 2.624 132 Y HA 0.113 4.650 4.550 -0.021 0.000 0.354 132 Y C 0.859 176.737 175.900 -0.038 0.000 1.051 132 Y CA -0.920 57.178 58.100 -0.004 0.000 1.377 132 Y CB -0.248 38.226 38.460 0.024 0.000 1.168 132 Y HN -0.034 nan 8.280 nan 0.000 0.525 133 I N 3.875 124.400 120.570 -0.075 0.000 2.517 133 I HA 0.178 4.336 4.170 -0.020 0.000 0.285 133 I C 0.044 176.102 176.117 -0.099 0.000 1.106 133 I CA -0.763 60.434 61.300 -0.172 0.000 1.402 133 I CB 0.095 37.810 38.000 -0.474 0.000 1.399 133 I HN 0.291 nan 8.210 nan 0.000 0.535 134 V N 5.229 125.110 119.914 -0.055 0.000 2.383 134 V HA 0.361 4.468 4.120 -0.020 0.000 0.275 134 V C 0.176 176.246 176.094 -0.040 0.000 1.036 134 V CA -0.889 61.396 62.300 -0.024 0.000 0.889 134 V CB 1.366 33.194 31.823 0.008 0.000 0.985 134 V HN 0.718 nan 8.190 nan 0.000 0.459 135 L N 4.006 125.211 121.223 -0.031 0.000 2.638 135 L HA 0.130 4.458 4.340 -0.020 0.000 0.273 135 L C 1.122 177.985 176.870 -0.013 0.000 1.147 135 L CA 0.386 55.213 54.840 -0.022 0.000 0.941 135 L CB 0.214 42.272 42.059 -0.003 0.000 1.251 135 L HN 0.840 nan 8.230 nan 0.000 0.479 136 D N 4.954 125.344 120.400 -0.017 0.000 2.036 136 D HA -0.037 4.591 4.640 -0.020 0.000 0.236 136 D C -0.842 175.453 176.300 -0.009 0.000 0.976 136 D CA 1.064 55.057 54.000 -0.012 0.000 0.918 136 D CB -0.526 40.265 40.800 -0.015 0.000 1.094 136 D HN 0.344 nan 8.370 nan 0.000 0.459 137 P HA 0.078 nan 4.420 nan 0.000 0.207 137 P C -0.489 176.810 177.300 -0.001 0.000 1.212 137 P CA 1.287 64.383 63.100 -0.006 0.000 0.914 137 P CB 0.184 31.879 31.700 -0.008 0.000 0.750 138 K N -1.676 118.724 120.400 0.001 0.000 2.477 138 K HA 0.751 5.059 4.320 -0.020 0.000 0.255 138 K C -1.066 175.543 176.600 0.015 0.000 0.952 138 K CA -1.059 55.234 56.287 0.009 0.000 0.826 138 K CB 2.024 34.533 32.500 0.016 0.000 1.331 138 K HN 0.088 nan 8.250 nan 0.000 0.437 139 G N 0.419 109.234 108.800 0.026 0.000 2.618 139 G HA2 0.488 4.435 3.960 -0.020 0.000 0.289 139 G HA3 0.488 4.435 3.960 -0.020 0.000 0.289 139 G C 0.171 175.097 174.900 0.044 0.000 1.493 139 G CA -0.355 44.770 45.100 0.042 0.000 1.133 139 G HN 0.708 nan 8.290 nan 0.000 0.578 140 A N 3.113 125.969 122.820 0.059 0.000 1.873 140 A HA 0.173 4.481 4.320 -0.020 0.000 0.215 140 A C 1.439 179.017 177.584 -0.010 0.000 1.186 140 A CA 0.969 53.001 52.037 -0.008 0.000 0.616 140 A CB -0.362 18.576 19.000 -0.103 0.000 0.823 140 A HN 1.205 nan 8.150 nan 0.000 0.442 141 I N 0.987 121.579 120.570 0.037 0.000 2.692 141 I HA 0.348 4.506 4.170 -0.020 0.000 0.284 141 I C 0.117 176.260 176.117 0.043 0.000 1.159 141 I CA -0.918 60.406 61.300 0.039 0.000 1.423 141 I CB 0.598 38.645 38.000 0.078 0.000 1.380 141 I HN 0.371 nan 8.210 nan 0.000 0.580 142 L N 5.642 126.886 121.223 0.035 0.000 2.479 142 L HA 0.497 4.825 4.340 -0.020 0.000 0.249 142 L C 0.832 177.730 176.870 0.047 0.000 1.178 142 L CA -0.128 54.733 54.840 0.035 0.000 0.811 142 L CB -0.082 41.992 42.059 0.026 0.000 1.187 142 L HN 0.750 nan 8.230 nan 0.000 0.480 143 N N -1.539 117.187 118.700 0.043 0.000 2.317 143 N HA 0.243 4.971 4.740 -0.020 0.000 0.199 143 N C 0.913 176.446 175.510 0.039 0.000 1.145 143 N CA 0.723 53.802 53.050 0.047 0.000 0.882 143 N CB 1.652 40.168 38.487 0.048 0.000 1.113 143 N HN 0.894 nan 8.380 nan 0.000 0.486 144 G N 0.317 109.136 108.800 0.032 0.000 3.724 144 G HA2 0.015 3.963 3.960 -0.020 0.000 0.212 144 G HA3 0.015 3.963 3.960 -0.020 0.000 0.212 144 G C -0.448 174.465 174.900 0.021 0.000 0.928 144 G CA 0.190 45.305 45.100 0.026 0.000 0.879 144 G HN 0.166 nan 8.290 nan 0.000 0.424 145 V N 1.427 121.354 119.914 0.021 0.000 3.284 145 V HA 0.769 4.877 4.120 -0.020 0.000 0.309 145 V C -1.889 174.215 176.094 0.016 0.000 1.190 145 V CA -1.926 60.384 62.300 0.017 0.000 1.038 145 V CB 2.204 34.036 31.823 0.016 0.000 1.198 145 V HN 0.118 nan 8.190 nan 0.000 0.465 146 P HA 0.155 nan 4.420 nan 0.000 0.307 146 P C -0.980 176.328 177.300 0.014 0.000 1.306 146 P CA -0.141 62.965 63.100 0.009 0.000 0.742 146 P CB 0.278 31.980 31.700 0.003 0.000 1.349 147 V N 0.360 120.281 119.914 0.011 0.000 2.540 147 V HA -0.034 4.074 4.120 -0.020 0.000 0.297 147 V C -0.006 176.096 176.094 0.014 0.000 1.024 147 V CA 0.445 62.754 62.300 0.015 0.000 1.105 147 V CB -0.755 31.075 31.823 0.011 0.000 0.938 147 V HN 0.342 nan 8.190 nan 0.000 0.482 148 E N 5.963 126.173 120.200 0.017 0.000 1.856 148 E HA 0.113 4.451 4.350 -0.020 0.000 0.263 148 E C 1.172 177.778 176.600 0.010 0.000 1.137 148 E CA -0.102 56.306 56.400 0.014 0.000 1.007 148 E CB 0.516 30.226 29.700 0.018 0.000 1.117 148 E HN 0.807 nan 8.360 nan 0.000 0.438 149 K N 2.286 122.690 120.400 0.007 0.000 2.117 149 K HA -0.298 4.010 4.320 -0.020 0.000 0.215 149 K C 1.611 178.213 176.600 0.002 0.000 1.053 149 K CA 1.745 58.034 56.287 0.004 0.000 0.935 149 K CB 0.143 32.644 32.500 0.002 0.000 0.719 149 K HN 0.200 nan 8.250 nan 0.000 0.460 150 R N -0.198 120.304 120.500 0.004 0.000 2.549 150 R HA 0.132 4.460 4.340 -0.020 0.000 0.344 150 R C -0.299 176.006 176.300 0.008 0.000 0.979 150 R CA -0.180 55.922 56.100 0.004 0.000 1.140 150 R CB 0.642 30.944 30.300 0.003 0.000 1.377 150 R HN 0.219 nan 8.270 nan 0.000 0.541 151 Q N 0.945 120.750 119.800 0.010 0.000 2.312 151 Q HA 0.351 4.679 4.340 -0.020 0.000 0.236 151 Q C -0.513 175.497 176.000 0.016 0.000 0.965 151 Q CA -0.414 55.397 55.803 0.014 0.000 0.894 151 Q CB 1.551 30.298 28.738 0.015 0.000 1.225 151 Q HN 0.233 nan 8.270 nan 0.000 0.478 152 L N 0.172 121.409 121.223 0.023 0.000 2.334 152 L HA 0.801 5.129 4.340 -0.020 0.000 0.276 152 L C -0.995 175.899 176.870 0.041 0.000 1.014 152 L CA -1.173 53.687 54.840 0.033 0.000 0.815 152 L CB 0.893 42.985 42.059 0.056 0.000 1.268 152 L HN 0.534 nan 8.230 nan 0.000 0.428 153 L N 0.767 122.018 121.223 0.045 0.000 2.309 153 L HA 0.754 5.082 4.340 -0.020 0.000 0.261 153 L C -0.048 176.895 176.870 0.121 0.000 1.021 153 L CA -0.169 54.713 54.840 0.069 0.000 0.823 153 L CB 2.250 44.350 42.059 0.068 0.000 1.366 153 L HN 0.713 nan 8.230 nan 0.000 0.423 154 T N -0.368 114.277 114.554 0.151 0.000 2.899 154 T HA 0.202 4.539 4.350 -0.020 0.000 0.284 154 T C 0.503 175.351 174.700 0.247 0.000 1.004 154 T CA 0.233 62.469 62.100 0.227 0.000 1.043 154 T CB 0.937 69.901 68.868 0.159 0.000 1.013 154 T HN 0.907 nan 8.240 nan 0.000 0.518 155 D N 1.317 121.880 120.400 0.271 0.000 2.263 155 D HA -0.040 4.588 4.640 -0.020 0.000 0.208 155 D C 1.840 178.276 176.300 0.226 0.000 0.971 155 D CA 1.169 55.349 54.000 0.298 0.000 0.867 155 D CB 0.293 41.221 40.800 0.213 0.000 0.929 155 D HN 0.655 nan 8.370 nan 0.000 0.492 156 E N 0.036 120.339 120.200 0.172 0.000 2.072 156 E HA -0.124 4.213 4.350 -0.020 0.000 0.190 156 E C 1.809 178.477 176.600 0.113 0.000 0.982 156 E CA 0.745 57.214 56.400 0.116 0.000 0.803 156 E CB -0.006 29.751 29.700 0.095 0.000 0.755 156 E HN 0.408 nan 8.360 nan 0.000 0.453 157 E N 0.052 120.335 120.200 0.139 0.000 2.158 157 E HA -0.148 4.189 4.350 -0.020 0.000 0.191 157 E C 1.793 178.500 176.600 0.177 0.000 0.982 157 E CA 0.440 56.918 56.400 0.131 0.000 0.823 157 E CB -0.088 29.684 29.700 0.119 0.000 0.766 157 E HN 0.226 nan 8.360 nan 0.000 0.468 158 Y N 2.189 122.526 120.300 0.062 0.000 2.181 158 Y HA -0.178 4.360 4.550 -0.020 0.000 0.288 158 Y C 2.245 178.180 175.900 0.058 0.000 1.146 158 Y CA 1.601 59.735 58.100 0.057 0.000 1.164 158 Y CB -0.170 38.323 38.460 0.055 0.000 0.982 158 Y HN -0.192 nan 8.280 nan 0.000 0.515 159 R N 0.341 120.806 120.500 -0.058 0.000 2.105 159 R HA -0.206 4.122 4.340 -0.020 0.000 0.239 159 R C 1.960 178.228 176.300 -0.053 0.000 1.135 159 R CA 1.987 58.002 56.100 -0.143 0.000 0.967 159 R CB -0.253 30.020 30.300 -0.045 0.000 0.861 159 R HN 0.380 nan 8.270 nan 0.000 0.442 160 E N 0.020 120.230 120.200 0.017 0.000 2.338 160 E HA -0.130 4.208 4.350 -0.020 0.000 0.197 160 E C 1.588 178.218 176.600 0.049 0.000 1.007 160 E CA 0.631 57.060 56.400 0.048 0.000 0.849 160 E CB 0.116 29.854 29.700 0.064 0.000 0.774 160 E HN 0.335 nan 8.360 nan 0.000 0.506 161 L N -0.205 121.035 121.223 0.030 0.000 2.354 161 L HA 0.082 4.409 4.340 -0.020 0.000 0.212 161 L C 2.210 179.089 176.870 0.015 0.000 1.091 161 L CA 0.495 55.366 54.840 0.051 0.000 0.828 161 L CB 0.127 42.261 42.059 0.125 0.000 0.973 161 L HN -0.000 nan 8.230 nan 0.000 0.461 162 R N -2.262 118.198 120.500 -0.066 0.000 2.167 162 R HA -0.099 4.229 4.340 -0.020 0.000 0.201 162 R C 2.098 178.416 176.300 0.029 0.000 1.024 162 R CA 0.634 56.708 56.100 -0.043 0.000 1.053 162 R CB -0.726 29.490 30.300 -0.139 0.000 0.987 162 R HN 0.215 nan 8.270 nan 0.000 0.493 163 Y N 0.922 121.176 120.300 -0.076 0.000 2.337 163 Y HA 0.208 4.746 4.550 -0.020 0.000 0.293 163 Y C 1.149 177.044 175.900 -0.009 0.000 1.123 163 Y CA 1.461 59.537 58.100 -0.040 0.000 1.201 163 Y CB 0.470 38.901 38.460 -0.048 0.000 1.011 163 Y HN 0.467 nan 8.280 nan 0.000 0.545 164 G N 0.193 109.052 108.800 0.098 0.000 2.713 164 G HA2 -0.135 3.813 3.960 -0.020 0.000 0.215 164 G HA3 -0.135 3.813 3.960 -0.020 0.000 0.215 164 G C -0.849 174.130 174.900 0.132 0.000 1.265 164 G CA -0.291 44.839 45.100 0.050 0.000 1.204 164 G HN 0.166 nan 8.290 nan 0.000 0.545 165 K N 0.968 121.460 120.400 0.153 0.000 2.468 165 K HA 0.629 4.937 4.320 -0.020 0.000 0.252 165 K C -1.002 175.716 176.600 0.197 0.000 0.932 165 K CA -0.524 55.852 56.287 0.149 0.000 0.794 165 K CB 2.065 34.620 32.500 0.091 0.000 1.241 165 K HN 0.844 nan 8.250 nan 0.000 0.428 166 Q N 1.024 120.901 119.800 0.128 0.000 2.275 166 Q HA 0.435 4.763 4.340 -0.020 0.000 0.258 166 Q C -1.494 174.477 176.000 -0.047 0.000 0.960 166 Q CA -0.872 54.975 55.803 0.073 0.000 0.801 166 Q CB 2.381 31.121 28.738 0.003 0.000 1.302 166 Q HN 0.458 nan 8.270 nan 0.000 0.433 167 E N 2.142 122.279 120.200 -0.106 0.000 2.343 167 E HA 0.305 4.643 4.350 -0.020 0.000 0.260 167 E C -1.193 174.978 176.600 -0.715 0.000 0.908 167 E CA -0.414 55.796 56.400 -0.317 0.000 0.814 167 E CB 1.816 31.425 29.700 -0.150 0.000 1.302 167 E HN 0.693 nan 8.360 nan 0.000 0.408 168 T N 2.887 117.044 114.554 -0.662 0.000 2.882 168 T HA 0.492 4.830 4.350 -0.020 0.000 0.287 168 T C -1.063 173.207 174.700 -0.715 0.000 0.992 168 T CA -0.106 61.662 62.100 -0.554 0.000 1.076 168 T CB 0.357 69.083 68.868 -0.236 0.000 0.961 168 T HN 0.249 nan 8.240 nan 0.000 0.490 169 Y N 0.811 121.127 120.300 0.028 0.000 2.544 169 Y HA 0.451 4.989 4.550 -0.020 0.000 0.342 169 Y C -2.638 173.280 175.900 0.029 0.000 1.062 169 Y CA -2.815 55.299 58.100 0.023 0.000 1.023 169 Y CB 1.011 39.484 38.460 0.021 0.000 1.308 169 Y HN 0.431 nan 8.280 nan 0.000 0.457 170 P HA 0.247 nan 4.420 nan 0.000 0.274 170 P C -1.083 176.273 177.300 0.093 0.000 1.260 170 P CA -0.296 62.865 63.100 0.102 0.000 0.793 170 P CB 0.823 32.566 31.700 0.071 0.000 1.048 171 L N 0.990 122.248 121.223 0.058 0.000 2.470 171 L HA 0.428 4.756 4.340 -0.020 0.000 0.268 171 L C -2.471 174.405 176.870 0.010 0.000 0.964 171 L CA -2.059 52.804 54.840 0.038 0.000 0.839 171 L CB 2.279 44.372 42.059 0.058 0.000 1.276 171 L HN 0.259 nan 8.230 nan 0.000 0.403 172 P HA 0.136 nan 4.420 nan 0.000 0.268 172 P C -2.497 174.797 177.300 -0.010 0.000 1.208 172 P CA -0.826 62.273 63.100 -0.001 0.000 0.777 172 P CB -0.078 31.620 31.700 -0.003 0.000 0.875 173 P HA 0.109 nan 4.420 nan 0.000 0.250 173 P C 0.601 177.898 177.300 -0.006 0.000 1.198 173 P CA 1.284 64.379 63.100 -0.007 0.000 1.118 173 P CB -0.538 31.165 31.700 0.006 0.000 1.208 174 G N 1.106 109.891 108.800 -0.024 0.000 2.147 174 G HA2 -0.099 3.849 3.960 -0.020 0.000 0.128 174 G HA3 -0.099 3.849 3.960 -0.020 0.000 0.128 174 G C -0.195 174.696 174.900 -0.016 0.000 1.026 174 G CA -0.610 44.483 45.100 -0.011 0.000 0.693 174 G HN 0.441 nan 8.290 nan 0.000 0.499 175 V N 0.304 120.200 119.914 -0.030 0.000 2.881 175 V HA 0.741 4.849 4.120 -0.020 0.000 0.316 175 V C -0.359 175.701 176.094 -0.057 0.000 1.070 175 V CA -0.615 61.666 62.300 -0.033 0.000 0.976 175 V CB 2.062 33.867 31.823 -0.029 0.000 1.038 175 V HN 0.297 nan 8.190 nan 0.000 0.446 176 D N 1.647 122.006 120.400 -0.069 0.000 2.185 176 D HA 0.632 5.260 4.640 -0.020 0.000 0.247 176 D C -0.082 176.128 176.300 -0.151 0.000 1.027 176 D CA -0.166 53.762 54.000 -0.120 0.000 0.861 176 D CB 1.946 42.700 40.800 -0.077 0.000 1.202 176 D HN 0.797 nan 8.370 nan 0.000 0.453 177 A N 3.210 125.879 122.820 -0.251 0.000 2.371 177 A HA 0.322 4.630 4.320 -0.020 0.000 0.257 177 A C 1.218 178.716 177.584 -0.145 0.000 1.089 177 A CA -0.345 51.565 52.037 -0.210 0.000 0.794 177 A CB 0.250 19.067 19.000 -0.305 0.000 1.029 177 A HN 0.726 nan 8.150 nan 0.000 0.488 178 L N 1.827 122.991 121.223 -0.100 0.000 2.554 178 L HA 0.078 4.406 4.340 -0.020 0.000 0.226 178 L C -0.006 176.826 176.870 -0.064 0.000 1.137 178 L CA 0.202 54.999 54.840 -0.071 0.000 0.863 178 L CB -0.575 41.451 42.059 -0.054 0.000 0.985 178 L HN 0.403 nan 8.230 nan 0.000 0.451 179 V N 0.423 120.292 119.914 -0.074 0.000 2.769 179 V HA 0.223 4.331 4.120 -0.020 0.000 0.312 179 V C 0.418 176.473 176.094 -0.065 0.000 1.058 179 V CA -0.944 61.323 62.300 -0.054 0.000 0.952 179 V CB 2.165 33.966 31.823 -0.036 0.000 1.019 179 V HN 0.231 nan 8.190 nan 0.000 0.445 180 K N 1.404 121.781 120.400 -0.039 0.000 2.868 180 K HA 0.353 4.661 4.320 -0.020 0.000 0.304 180 K C 0.163 176.759 176.600 -0.007 0.000 1.007 180 K CA -0.227 56.043 56.287 -0.029 0.000 1.123 180 K CB 0.237 32.728 32.500 -0.014 0.000 1.408 180 K HN 0.415 nan 8.250 nan 0.000 0.522 181 D N -0.573 119.836 120.400 0.015 0.000 2.110 181 D HA -0.001 4.626 4.640 -0.020 0.000 0.202 181 D C 1.660 177.980 176.300 0.034 0.000 0.975 181 D CA 1.702 55.727 54.000 0.042 0.000 0.839 181 D CB -0.394 40.434 40.800 0.048 0.000 0.996 181 D HN 0.744 nan 8.370 nan 0.000 0.464 182 G N -0.410 108.401 108.800 0.018 0.000 3.044 182 G HA2 -0.002 3.945 3.960 -0.020 0.000 0.223 182 G HA3 -0.002 3.945 3.960 -0.020 0.000 0.223 182 G C 0.221 175.122 174.900 0.002 0.000 1.123 182 G CA -0.346 44.761 45.100 0.012 0.000 0.765 182 G HN 0.091 nan 8.290 nan 0.000 0.546 183 E N 1.702 121.902 120.200 -0.000 0.000 2.491 183 E HA 0.024 4.361 4.350 -0.020 0.000 0.250 183 E C -0.094 176.504 176.600 -0.004 0.000 1.061 183 E CA -0.068 56.328 56.400 -0.006 0.000 0.942 183 E CB 0.199 29.893 29.700 -0.010 0.000 0.957 183 E HN 0.345 nan 8.360 nan 0.000 0.480 184 E N 2.324 122.518 120.200 -0.009 0.000 2.652 184 E HA -0.083 4.254 4.350 -0.020 0.000 0.255 184 E C -0.234 176.365 176.600 -0.001 0.000 0.952 184 E CA -0.139 56.256 56.400 -0.009 0.000 0.947 184 E CB 0.686 30.374 29.700 -0.020 0.000 0.912 184 E HN 0.281 nan 8.360 nan 0.000 0.489 185 V N 4.062 123.983 119.914 0.011 0.000 2.901 185 V HA -0.080 4.027 4.120 -0.020 0.000 0.307 185 V C 0.471 176.570 176.094 0.008 0.000 1.084 185 V CA 0.038 62.347 62.300 0.017 0.000 1.184 185 V CB 0.976 32.823 31.823 0.041 0.000 0.941 185 V HN 0.361 nan 8.190 nan 0.000 0.493 186 V N 4.232 124.148 119.914 0.003 0.000 2.498 186 V HA 0.209 4.316 4.120 -0.020 0.000 0.279 186 V C 0.431 176.527 176.094 0.003 0.000 1.048 186 V CA -0.920 61.379 62.300 -0.001 0.000 0.967 186 V CB 1.191 33.010 31.823 -0.008 0.000 0.988 186 V HN 0.820 nan 8.190 nan 0.000 0.473 187 K N 3.781 124.184 120.400 0.005 0.000 2.366 187 K HA 0.269 4.577 4.320 -0.020 0.000 0.272 187 K C 0.964 177.566 176.600 0.003 0.000 1.151 187 K CA 1.317 57.609 56.287 0.009 0.000 1.173 187 K CB -0.603 31.902 32.500 0.008 0.000 0.853 187 K HN 1.171 nan 8.250 nan 0.000 0.473 188 G N 2.840 111.642 108.800 0.003 0.000 2.248 188 G HA2 -0.292 3.656 3.960 -0.020 0.000 0.252 188 G HA3 -0.292 3.656 3.960 -0.020 0.000 0.252 188 G C -0.383 174.504 174.900 -0.021 0.000 1.085 188 G CA 0.273 45.369 45.100 -0.008 0.000 0.845 188 G HN 0.636 nan 8.290 nan 0.000 0.494 189 Q N -0.245 119.540 119.800 -0.024 0.000 2.345 189 Q HA 0.611 4.939 4.340 -0.020 0.000 0.268 189 Q C -0.001 175.961 176.000 -0.063 0.000 1.054 189 Q CA -0.820 54.961 55.803 -0.035 0.000 0.835 189 Q CB 1.075 29.799 28.738 -0.023 0.000 1.339 189 Q HN 0.284 nan 8.270 nan 0.000 0.447 190 E N 3.822 123.981 120.200 -0.068 0.000 2.161 190 E HA -0.009 4.329 4.350 -0.020 0.000 0.263 190 E C 0.292 176.845 176.600 -0.079 0.000 1.185 190 E CA 0.015 56.361 56.400 -0.090 0.000 0.938 190 E CB 0.428 30.086 29.700 -0.071 0.000 1.023 190 E HN 0.736 nan 8.360 nan 0.000 0.433 191 L N 2.620 123.789 121.223 -0.091 0.000 2.027 191 L HA -0.066 4.261 4.340 -0.020 0.000 0.206 191 L C 0.929 177.766 176.870 -0.056 0.000 1.074 191 L CA 0.981 55.794 54.840 -0.046 0.000 0.745 191 L CB 0.011 42.075 42.059 0.008 0.000 0.898 191 L HN 0.430 nan 8.230 nan 0.000 0.433 192 A N -1.842 120.941 122.820 -0.062 0.000 2.527 192 A HA 0.620 4.928 4.320 -0.020 0.000 0.293 192 A C -2.558 174.990 177.584 -0.060 0.000 1.117 192 A CA -1.342 50.657 52.037 -0.065 0.000 0.723 192 A CB 0.848 19.814 19.000 -0.057 0.000 1.313 192 A HN -0.169 nan 8.150 nan 0.000 0.411 193 P HA 0.308 nan 4.420 nan 0.000 0.260 193 P C 0.984 178.261 177.300 -0.038 0.000 1.185 193 P CA 2.278 65.351 63.100 -0.044 0.000 0.763 193 P CB 0.620 32.298 31.700 -0.038 0.000 0.776 194 G N 1.410 110.184 108.800 -0.043 0.000 2.307 194 G HA2 -0.150 3.798 3.960 -0.020 0.000 0.210 194 G HA3 -0.150 3.798 3.960 -0.020 0.000 0.210 194 G C -0.155 174.710 174.900 -0.058 0.000 1.005 194 G CA -0.040 45.038 45.100 -0.036 0.000 0.634 194 G HN 0.524 nan 8.290 nan 0.000 0.496 195 V N 0.331 120.186 119.914 -0.098 0.000 2.962 195 V HA 0.791 4.899 4.120 -0.020 0.000 0.313 195 V C -0.288 175.648 176.094 -0.263 0.000 1.099 195 V CA -0.909 61.273 62.300 -0.197 0.000 0.971 195 V CB 2.293 33.954 31.823 -0.269 0.000 1.028 195 V HN 0.473 nan 8.190 nan 0.000 0.430 196 V N 2.027 121.733 119.914 -0.347 0.000 2.325 196 V HA 0.426 4.534 4.120 -0.020 0.000 0.280 196 V C 0.298 176.139 176.094 -0.422 0.000 1.016 196 V CA -0.239 61.888 62.300 -0.289 0.000 0.818 196 V CB 1.433 33.161 31.823 -0.158 0.000 1.019 196 V HN 0.992 nan 8.190 nan 0.000 0.434 197 S N 6.290 121.741 115.700 -0.416 0.000 2.584 197 S HA 0.474 4.931 4.470 -0.020 0.000 0.273 197 S C 0.319 174.915 174.600 -0.007 0.000 1.311 197 S CA -0.645 57.391 58.200 -0.272 0.000 1.034 197 S CB 0.712 63.900 63.200 -0.021 0.000 0.939 197 S HN 0.660 nan 8.310 nan 0.000 0.513 198 R N 2.833 123.419 120.500 0.143 0.000 2.641 198 R HA 0.226 4.553 4.340 -0.020 0.000 0.269 198 R C 1.416 177.770 176.300 0.089 0.000 1.074 198 R CA -0.335 55.828 56.100 0.106 0.000 1.133 198 R CB 0.189 30.567 30.300 0.131 0.000 1.029 198 R HN 0.735 nan 8.270 nan 0.000 0.488 199 L N 0.486 121.743 121.223 0.057 0.000 2.158 199 L HA -0.294 4.034 4.340 -0.020 0.000 0.249 199 L C 1.109 178.004 176.870 0.042 0.000 1.097 199 L CA 1.526 56.391 54.840 0.040 0.000 0.844 199 L CB -0.511 41.568 42.059 0.034 0.000 0.940 199 L HN 0.629 nan 8.230 nan 0.000 0.436 200 D N 0.355 120.779 120.400 0.040 0.000 2.401 200 D HA 0.372 4.999 4.640 -0.020 0.000 0.254 200 D C 0.019 176.341 176.300 0.038 0.000 1.192 200 D CA 1.173 55.191 54.000 0.031 0.000 0.885 200 D CB 0.799 41.614 40.800 0.024 0.000 1.147 200 D HN 0.454 nan 8.370 nan 0.000 0.478 201 G N 1.307 110.124 108.800 0.027 0.000 2.349 201 G HA2 0.423 4.371 3.960 -0.020 0.000 0.294 201 G HA3 0.423 4.371 3.960 -0.020 0.000 0.294 201 G C -1.535 173.377 174.900 0.021 0.000 1.380 201 G CA -0.493 44.626 45.100 0.033 0.000 0.811 201 G HN 0.365 nan 8.290 nan 0.000 0.519 202 V N -0.443 119.488 119.914 0.029 0.000 2.960 202 V HA 0.870 4.978 4.120 -0.020 0.000 0.315 202 V C 0.383 176.507 176.094 0.050 0.000 1.087 202 V CA -0.468 61.847 62.300 0.026 0.000 0.982 202 V CB 1.697 33.530 31.823 0.017 0.000 1.039 202 V HN 1.670 nan 8.190 nan 0.000 0.437 203 A N 3.389 126.238 122.820 0.048 0.000 2.288 203 A HA 0.910 5.218 4.320 -0.020 0.000 0.320 203 A C -1.026 176.608 177.584 0.083 0.000 1.217 203 A CA -0.316 51.761 52.037 0.067 0.000 0.840 203 A CB 0.492 19.519 19.000 0.045 0.000 1.179 203 A HN 0.690 nan 8.150 nan 0.000 0.504 204 L N 1.383 122.674 121.223 0.113 0.000 2.323 204 L HA 0.763 5.091 4.340 -0.020 0.000 0.265 204 L C -0.657 176.346 176.870 0.221 0.000 1.012 204 L CA -0.699 54.225 54.840 0.139 0.000 0.820 204 L CB 1.919 44.041 42.059 0.105 0.000 1.334 204 L HN 0.717 nan 8.230 nan 0.000 0.427 205 Y N 0.247 120.571 120.300 0.041 0.000 2.314 205 Y HA 0.485 5.023 4.550 -0.020 0.000 0.317 205 Y C -0.947 174.982 175.900 0.048 0.000 1.234 205 Y CA -0.812 57.310 58.100 0.036 0.000 1.111 205 Y CB 1.046 39.522 38.460 0.027 0.000 1.283 205 Y HN 0.514 nan 8.280 nan 0.000 0.418 206 R N 3.444 123.769 120.500 -0.291 0.000 2.652 206 R HA 0.290 4.618 4.340 -0.020 0.000 0.271 206 R C -0.068 175.748 176.300 -0.805 0.000 1.129 206 R CA -0.531 55.361 56.100 -0.346 0.000 1.200 206 R CB 0.526 30.728 30.300 -0.164 0.000 1.146 206 R HN 0.690 nan 8.270 nan 0.000 0.581 392 S N -0.045 115.632 115.700 -0.038 0.000 2.730 392 S HA 0.839 5.297 4.470 -0.020 0.000 0.284 392 S C -0.147 174.569 174.600 0.192 0.000 1.153 392 S CA -0.489 57.766 58.200 0.092 0.000 0.995 392 S CB 1.025 64.252 63.200 0.045 0.000 1.058 392 S HN 0.492 nan 8.310 nan 0.000 0.552 393 I N 0.570 121.275 120.570 0.226 0.000 2.693 393 I HA 0.489 4.647 4.170 -0.020 0.000 0.303 393 I C -1.076 175.127 176.117 0.144 0.000 1.025 393 I CA -1.234 60.210 61.300 0.241 0.000 1.086 393 I CB 1.792 39.940 38.000 0.246 0.000 1.268 393 I HN 0.611 nan 8.210 nan 0.000 0.440 394 L N 4.091 125.382 121.223 0.114 0.000 2.410 394 L HA 0.718 5.046 4.340 -0.020 0.000 0.270 394 L C -0.811 176.100 176.870 0.069 0.000 0.983 394 L CA -0.938 53.920 54.840 0.029 0.000 0.822 394 L CB 1.589 43.659 42.059 0.019 0.000 1.285 394 L HN 0.155 nan 8.230 nan 0.000 0.409 395 V N 2.385 122.326 119.914 0.044 0.000 2.716 395 V HA 0.733 4.840 4.120 -0.020 0.000 0.304 395 V C 0.054 176.199 176.094 0.084 0.000 1.053 395 V CA -0.614 61.742 62.300 0.094 0.000 0.984 395 V CB 2.048 33.964 31.823 0.155 0.000 1.021 395 V HN 0.644 nan 8.190 nan 0.000 0.467 396 V N 1.350 121.314 119.914 0.084 0.000 2.733 396 V HA 0.541 4.649 4.120 -0.020 0.000 0.306 396 V C 0.273 176.395 176.094 0.045 0.000 1.084 396 V CA -0.695 61.654 62.300 0.082 0.000 0.905 396 V CB 1.508 33.371 31.823 0.066 0.000 1.010 396 V HN 0.871 nan 8.190 nan 0.000 0.424 397 K N 3.236 123.657 120.400 0.035 0.000 2.361 397 K HA 0.482 4.790 4.320 -0.020 0.000 0.196 397 K C 0.717 177.311 176.600 -0.010 0.000 1.039 397 K CA 0.776 57.075 56.287 0.019 0.000 1.001 397 K CB 0.465 32.985 32.500 0.032 0.000 0.795 397 K HN 1.067 nan 8.250 nan 0.000 0.495 398 A N 1.896 124.694 122.820 -0.037 0.000 2.354 398 A HA 0.340 4.648 4.320 -0.020 0.000 0.269 398 A C -0.652 176.894 177.584 -0.063 0.000 1.109 398 A CA -0.697 51.316 52.037 -0.038 0.000 0.800 398 A CB 0.380 19.349 19.000 -0.052 0.000 1.045 398 A HN 0.352 nan 8.150 nan 0.000 0.489 399 R N 0.936 121.370 120.500 -0.109 0.000 2.390 399 R HA 0.302 4.630 4.340 -0.020 0.000 0.291 399 R C -0.460 175.593 176.300 -0.411 0.000 1.070 399 R CA -0.443 55.501 56.100 -0.260 0.000 1.014 399 R CB 1.226 31.321 30.300 -0.342 0.000 1.007 399 R HN 0.486 nan 8.270 nan 0.000 0.466 400 V N 5.054 124.780 119.914 -0.313 0.000 2.479 400 V HA -0.014 4.094 4.120 -0.020 0.000 0.281 400 V C -0.784 175.112 176.094 -0.330 0.000 1.031 400 V CA 0.401 62.580 62.300 -0.203 0.000 1.038 400 V CB 0.016 31.788 31.823 -0.084 0.000 0.981 400 V HN 0.578 nan 8.190 nan 0.000 0.478 401 Y N 6.617 126.951 120.300 0.056 0.000 2.902 401 Y HA 0.389 4.926 4.550 -0.021 0.000 0.353 401 Y C -1.956 174.020 175.900 0.126 0.000 1.116 401 Y CA -2.688 55.452 58.100 0.066 0.000 1.222 401 Y CB 0.358 38.846 38.460 0.046 0.000 1.302 401 Y HN 0.577 nan 8.280 nan 0.000 0.590 402 P HA -0.128 nan 4.420 nan 0.000 0.258 402 P C -0.619 176.795 177.300 0.191 0.000 1.172 402 P CA 0.638 63.830 63.100 0.153 0.000 0.762 402 P CB -0.001 31.724 31.700 0.042 0.000 0.764 403 F N 1.339 121.321 119.950 0.054 0.000 2.532 403 F HA 0.564 5.078 4.527 -0.020 0.000 0.321 403 F C 0.629 176.446 175.800 0.028 0.000 1.089 403 F CA -0.778 57.247 58.000 0.041 0.000 0.926 403 F CB 1.962 40.984 39.000 0.038 0.000 1.168 403 F HN 0.198 nan 8.300 nan 0.000 0.459 404 E N 0.481 120.547 120.200 -0.223 0.000 2.332 404 E HA 0.054 4.392 4.350 -0.020 0.000 0.202 404 E C -0.310 176.240 176.600 -0.083 0.000 0.877 404 E CA -0.176 56.033 56.400 -0.317 0.000 0.979 404 E CB 0.242 29.849 29.700 -0.154 0.000 0.969 404 E HN 0.613 nan 8.360 nan 0.000 0.495 405 D N 2.137 122.606 120.400 0.116 0.000 2.357 405 D HA -0.043 4.585 4.640 -0.020 0.000 0.242 405 D C -0.333 176.191 176.300 0.374 0.000 1.153 405 D CA 0.060 54.167 54.000 0.178 0.000 0.918 405 D CB 0.672 41.547 40.800 0.124 0.000 1.181 405 D HN 0.122 nan 8.370 nan 0.000 0.435 406 D N 0.076 120.627 120.400 0.253 0.000 2.472 406 D HA -0.074 4.554 4.640 -0.020 0.000 0.237 406 D C -0.366 175.954 176.300 0.032 0.000 1.141 406 D CA -0.114 54.028 54.000 0.236 0.000 0.875 406 D CB 0.829 41.694 40.800 0.108 0.000 1.192 406 D HN -0.124 nan 8.370 nan 0.000 0.450 407 V N 3.172 122.902 119.914 -0.306 0.000 2.389 407 V HA 0.015 4.123 4.120 -0.020 0.000 0.264 407 V C 1.527 177.475 176.094 -0.243 0.000 1.049 407 V CA -0.153 61.840 62.300 -0.512 0.000 0.932 407 V CB 0.610 31.905 31.823 -0.879 0.000 1.011 407 V HN 0.731 nan 8.190 nan 0.000 0.475 408 E N 4.062 124.166 120.200 -0.159 0.000 2.364 408 E HA 0.028 4.365 4.350 -0.020 0.000 0.196 408 E C 0.703 177.243 176.600 -0.100 0.000 0.990 408 E CA 0.166 56.505 56.400 -0.102 0.000 0.886 408 E CB 0.914 30.575 29.700 -0.064 0.000 0.866 408 E HN 0.484 nan 8.360 nan 0.000 0.493 409 V N 2.479 122.321 119.914 -0.119 0.000 2.763 409 V HA -0.034 4.074 4.120 -0.020 0.000 0.306 409 V C 0.132 176.170 176.094 -0.092 0.000 1.059 409 V CA 0.245 62.486 62.300 -0.097 0.000 1.138 409 V CB 1.303 33.064 31.823 -0.103 0.000 0.940 409 V HN 0.308 nan 8.190 nan 0.000 0.489 410 S N 3.326 118.988 115.700 -0.064 0.000 2.578 410 S HA 0.390 4.848 4.470 -0.020 0.000 0.283 410 S C -0.079 174.497 174.600 -0.041 0.000 1.195 410 S CA -0.714 57.455 58.200 -0.051 0.000 1.050 410 S CB 1.229 64.408 63.200 -0.036 0.000 1.012 410 S HN 0.737 nan 8.310 nan 0.000 0.511 411 T N 2.510 117.044 114.554 -0.033 0.000 2.822 411 T HA 0.426 4.764 4.350 -0.020 0.000 0.288 411 T C 1.507 176.200 174.700 -0.012 0.000 0.991 411 T CA 1.068 63.157 62.100 -0.019 0.000 1.176 411 T CB -0.292 68.572 68.868 -0.007 0.000 0.951 411 T HN 1.371 nan 8.240 nan 0.000 0.526 412 G N 3.655 112.450 108.800 -0.008 0.000 2.339 412 G HA2 -0.209 3.739 3.960 -0.020 0.000 0.209 412 G HA3 -0.209 3.739 3.960 -0.020 0.000 0.209 412 G C 0.011 174.908 174.900 -0.004 0.000 1.015 412 G CA -0.157 44.940 45.100 -0.003 0.000 0.635 412 G HN 0.755 nan 8.290 nan 0.000 0.499 413 D N 1.560 121.955 120.400 -0.009 0.000 2.506 413 D HA 0.361 4.989 4.640 -0.020 0.000 0.234 413 D C 1.258 177.565 176.300 0.013 0.000 1.143 413 D CA 0.189 54.187 54.000 -0.005 0.000 0.871 413 D CB 0.326 41.117 40.800 -0.014 0.000 1.190 413 D HN 0.731 nan 8.370 nan 0.000 0.459 414 R N 1.524 122.038 120.500 0.023 0.000 2.442 414 R HA 0.415 4.743 4.340 -0.020 0.000 0.291 414 R C -1.256 175.123 176.300 0.131 0.000 1.069 414 R CA -0.575 55.566 56.100 0.068 0.000 1.022 414 R CB 0.701 31.012 30.300 0.018 0.000 0.976 414 R HN 0.133 nan 8.270 nan 0.000 0.443 415 V N 2.547 122.579 119.914 0.196 0.000 2.735 415 V HA 0.740 4.848 4.120 -0.020 0.000 0.310 415 V C -0.451 175.654 176.094 0.018 0.000 1.061 415 V CA -0.571 61.778 62.300 0.081 0.000 0.913 415 V CB 1.898 33.711 31.823 -0.016 0.000 1.005 415 V HN 1.065 nan 8.190 nan 0.000 0.428 416 A N 5.362 128.026 122.820 -0.259 0.000 2.384 416 A HA 0.949 5.257 4.320 -0.020 0.000 0.312 416 A C -2.922 174.273 177.584 -0.649 0.000 1.113 416 A CA -2.156 49.357 52.037 -0.874 0.000 0.779 416 A CB 1.661 20.178 19.000 -0.805 0.000 1.307 416 A HN 0.608 nan 8.150 nan 0.000 0.436 417 P HA 0.229 nan 4.420 nan 0.000 0.258 417 P C 0.985 178.118 177.300 -0.279 0.000 1.187 417 P CA 2.379 65.245 63.100 -0.390 0.000 0.767 417 P CB 0.434 31.949 31.700 -0.310 0.000 0.770 418 G N 3.222 111.886 108.800 -0.226 0.000 2.436 418 G HA2 -0.177 3.771 3.960 -0.020 0.000 0.204 418 G HA3 -0.177 3.771 3.960 -0.020 0.000 0.204 418 G C -0.278 174.526 174.900 -0.161 0.000 1.026 418 G CA -0.557 44.442 45.100 -0.169 0.000 0.658 418 G HN 0.472 nan 8.290 nan 0.000 0.499 419 D N 2.190 122.486 120.400 -0.173 0.000 2.570 419 D HA 0.346 4.973 4.640 -0.020 0.000 0.243 419 D C 1.217 177.430 176.300 -0.145 0.000 1.171 419 D CA 0.270 54.188 54.000 -0.137 0.000 0.879 419 D CB 0.964 41.689 40.800 -0.125 0.000 1.143 419 D HN 0.401 nan 8.370 nan 0.000 0.511 420 V N 3.592 123.438 119.914 -0.114 0.000 2.872 420 V HA -0.142 3.966 4.120 -0.020 0.000 0.302 420 V C 1.597 177.612 176.094 -0.131 0.000 1.166 420 V CA 0.756 62.989 62.300 -0.112 0.000 1.298 420 V CB 0.375 32.150 31.823 -0.080 0.000 0.894 420 V HN 0.555 nan 8.190 nan 0.000 0.509 421 L N 2.716 123.851 121.223 -0.146 0.000 2.663 421 L HA 0.600 4.928 4.340 -0.020 0.000 0.218 421 L C 0.627 177.399 176.870 -0.163 0.000 1.043 421 L CA 0.913 55.657 54.840 -0.160 0.000 0.876 421 L CB 0.482 42.421 42.059 -0.201 0.000 1.263 421 L HN 0.794 nan 8.230 nan 0.000 0.486 422 A N -1.136 121.609 122.820 -0.125 0.000 2.540 422 A HA 0.424 4.732 4.320 -0.020 0.000 0.291 422 A C -1.266 176.315 177.584 -0.005 0.000 1.083 422 A CA -0.264 51.704 52.037 -0.115 0.000 0.650 422 A CB 0.524 19.383 19.000 -0.235 0.000 1.292 422 A HN 0.249 nan 8.150 nan 0.000 0.435 423 D N -0.134 120.300 120.400 0.055 0.000 2.701 423 D HA -0.046 4.582 4.640 -0.020 0.000 0.235 423 D C 0.979 177.299 176.300 0.034 0.000 1.155 423 D CA 2.868 56.917 54.000 0.083 0.000 0.649 423 D CB -1.760 39.113 40.800 0.121 0.000 1.050 423 D HN 2.286 nan 8.370 nan 0.000 0.425 424 G N -0.235 108.569 108.800 0.008 0.000 2.569 424 G HA2 -0.171 3.776 3.960 -0.020 0.000 0.259 424 G HA3 -0.171 3.776 3.960 -0.020 0.000 0.259 424 G C 1.120 176.011 174.900 -0.016 0.000 1.263 424 G CA 0.616 45.713 45.100 -0.005 0.000 0.928 424 G HN 0.898 nan 8.290 nan 0.000 0.572 425 G N -0.130 108.660 108.800 -0.017 0.000 2.776 425 G HA2 0.112 4.059 3.960 -0.020 0.000 0.209 425 G HA3 0.112 4.059 3.960 -0.020 0.000 0.209 425 G C 1.397 176.285 174.900 -0.020 0.000 1.145 425 G CA 1.645 46.729 45.100 -0.026 0.000 0.791 425 G HN 0.871 nan 8.290 nan 0.000 0.530 426 K N -0.164 120.234 120.400 -0.004 0.000 1.985 426 K HA -0.007 4.301 4.320 -0.020 0.000 0.210 426 K C 0.560 177.166 176.600 0.010 0.000 1.047 426 K CA 0.634 56.927 56.287 0.010 0.000 0.932 426 K CB -0.174 32.343 32.500 0.028 0.000 0.716 426 K HN 0.075 nan 8.250 nan 0.000 0.439 427 V N 4.049 123.969 119.914 0.011 0.000 2.356 427 V HA 0.065 4.173 4.120 -0.020 0.000 0.258 427 V C -0.553 175.483 176.094 -0.097 0.000 1.065 427 V CA -0.234 62.063 62.300 -0.005 0.000 0.935 427 V CB 0.450 32.301 31.823 0.047 0.000 1.061 427 V HN 0.284 nan 8.190 nan 0.000 0.484 428 K N 3.280 123.600 120.400 -0.134 0.000 2.164 428 K HA 0.698 5.006 4.320 -0.020 0.000 0.258 428 K C -0.113 176.247 176.600 -0.401 0.000 0.951 428 K CA -0.509 55.657 56.287 -0.202 0.000 0.844 428 K CB 1.678 34.102 32.500 -0.127 0.000 1.099 428 K HN 0.496 nan 8.250 nan 0.000 0.435 429 S N 0.238 115.668 115.700 -0.451 0.000 2.475 429 S HA 0.102 4.560 4.470 -0.020 0.000 0.281 429 S C -0.148 174.232 174.600 -0.366 0.000 1.198 429 S CA -0.616 57.184 58.200 -0.666 0.000 1.063 429 S CB 0.844 63.756 63.200 -0.479 0.000 0.972 429 S HN 0.753 nan 8.310 nan 0.000 0.486 430 D N 1.444 121.713 120.400 -0.218 0.000 2.369 430 D HA 0.208 4.836 4.640 -0.020 0.000 0.211 430 D C 0.159 176.439 176.300 -0.033 0.000 1.077 430 D CA -0.238 53.725 54.000 -0.061 0.000 0.842 430 D CB 0.039 40.873 40.800 0.056 0.000 0.947 430 D HN 0.383 nan 8.370 nan 0.000 0.509 431 V N -0.285 119.620 119.914 -0.015 0.000 3.001 431 V HA 0.353 4.460 4.120 -0.020 0.000 0.314 431 V C -0.691 175.364 176.094 -0.065 0.000 1.099 431 V CA -1.343 60.963 62.300 0.011 0.000 0.989 431 V CB 1.427 33.315 31.823 0.108 0.000 1.040 431 V HN -0.062 nan 8.190 nan 0.000 0.434 432 Y N 1.243 121.508 120.300 -0.060 0.000 2.359 432 Y HA 0.612 5.150 4.550 -0.020 0.000 0.330 432 Y C 0.947 176.881 175.900 0.058 0.000 1.143 432 Y CA 1.832 59.868 58.100 -0.105 0.000 1.318 432 Y CB 1.327 39.611 38.460 -0.293 0.000 1.234 432 Y HN 1.055 nan 8.280 nan 0.000 0.522 433 G N 2.568 111.574 108.800 0.343 0.000 2.368 433 G HA2 0.121 4.068 3.960 -0.020 0.000 0.302 433 G HA3 0.121 4.068 3.960 -0.020 0.000 0.302 433 G C -1.477 173.524 174.900 0.168 0.000 1.329 433 G CA -1.380 43.880 45.100 0.266 0.000 0.935 433 G HN 0.535 nan 8.290 nan 0.000 0.590 434 R N -1.350 119.202 120.500 0.087 0.000 2.652 434 R HA 0.626 4.953 4.340 -0.020 0.000 0.271 434 R C -0.240 176.066 176.300 0.010 0.000 1.129 434 R CA -0.519 55.604 56.100 0.037 0.000 1.200 434 R CB 0.712 31.017 30.300 0.009 0.000 1.146 434 R HN 0.332 nan 8.270 nan 0.000 0.581 435 V N 0.284 120.196 119.914 -0.004 0.000 2.628 435 V HA 0.255 4.363 4.120 -0.020 0.000 0.306 435 V C -0.316 175.767 176.094 -0.018 0.000 1.045 435 V CA -0.615 61.676 62.300 -0.015 0.000 0.905 435 V CB 1.571 33.377 31.823 -0.028 0.000 0.997 435 V HN 0.787 nan 8.190 nan 0.000 0.436 436 E N 2.972 123.162 120.200 -0.016 0.000 2.675 436 E HA 0.368 4.706 4.350 -0.020 0.000 0.236 436 E C -1.467 175.135 176.600 0.002 0.000 1.059 436 E CA -0.394 56.002 56.400 -0.006 0.000 0.775 436 E CB 1.585 31.276 29.700 -0.015 0.000 1.356 436 E HN 0.507 nan 8.360 nan 0.000 0.403 437 V N 4.490 124.395 119.914 -0.016 0.000 2.229 437 V HA 0.069 4.177 4.120 -0.020 0.000 0.245 437 V C 0.349 176.450 176.094 0.012 0.000 1.243 437 V CA -0.112 62.164 62.300 -0.039 0.000 1.176 437 V CB 0.092 31.853 31.823 -0.103 0.000 1.323 437 V HN 0.649 nan 8.190 nan 0.000 0.499 438 D N 3.251 123.688 120.400 0.062 0.000 2.382 438 D HA 0.278 4.906 4.640 -0.020 0.000 0.245 438 D C 0.556 176.948 176.300 0.152 0.000 1.120 438 D CA 0.058 54.114 54.000 0.094 0.000 0.890 438 D CB 2.068 42.927 40.800 0.099 0.000 1.201 438 D HN 0.362 nan 8.370 nan 0.000 0.433 439 L N 2.268 123.571 121.223 0.133 0.000 3.086 439 L HA 0.052 4.380 4.340 -0.020 0.000 0.274 439 L C 1.799 178.743 176.870 0.123 0.000 1.184 439 L CA -0.122 54.825 54.840 0.178 0.000 1.002 439 L CB 0.732 42.879 42.059 0.148 0.000 1.383 439 L HN 0.218 nan 8.230 nan 0.000 0.582 440 V N -0.283 119.685 119.914 0.091 0.000 2.229 440 V HA -0.133 3.975 4.120 -0.020 0.000 0.243 440 V C 1.172 177.299 176.094 0.056 0.000 1.042 440 V CA 1.187 63.525 62.300 0.064 0.000 1.000 440 V CB -0.543 31.314 31.823 0.057 0.000 0.637 440 V HN 0.360 nan 8.190 nan 0.000 0.446 441 R N 1.961 122.500 120.500 0.064 0.000 2.210 441 R HA 0.230 4.558 4.340 -0.020 0.000 0.338 441 R C -0.621 175.718 176.300 0.066 0.000 1.062 441 R CA -0.219 55.910 56.100 0.048 0.000 0.902 441 R CB -0.240 30.093 30.300 0.054 0.000 1.050 441 R HN 0.459 nan 8.270 nan 0.000 0.461 442 N N 1.953 120.646 118.700 -0.010 0.000 2.412 442 N HA 0.089 4.817 4.740 -0.020 0.000 0.279 442 N C -0.735 174.793 175.510 0.029 0.000 1.287 442 N CA 0.146 53.171 53.050 -0.041 0.000 0.948 442 N CB 0.761 38.973 38.487 -0.458 0.000 1.255 442 N HN 0.222 nan 8.380 nan 0.000 0.485 443 V N 2.205 122.441 119.914 0.536 0.000 3.232 443 V HA 0.532 4.640 4.120 -0.020 0.000 0.303 443 V C -1.499 174.830 176.094 0.392 0.000 1.311 443 V CA -0.729 61.867 62.300 0.493 0.000 1.061 443 V CB 2.414 34.363 31.823 0.211 0.000 1.085 443 V HN 0.147 nan 8.190 nan 0.000 0.447 444 V N 4.618 124.700 119.914 0.280 0.000 2.385 444 V HA 0.550 4.658 4.120 -0.020 0.000 0.277 444 V C -0.212 175.998 176.094 0.194 0.000 1.012 444 V CA -0.633 61.744 62.300 0.128 0.000 0.832 444 V CB 1.305 33.145 31.823 0.028 0.000 1.028 444 V HN 0.835 nan 8.190 nan 0.000 0.436 445 R N 3.019 123.593 120.500 0.122 0.000 2.349 445 R HA 0.697 5.025 4.340 -0.020 0.000 0.299 445 R C -0.977 175.378 176.300 0.092 0.000 1.027 445 R CA -0.644 55.519 56.100 0.105 0.000 0.958 445 R CB 2.047 32.368 30.300 0.035 0.000 1.047 445 R HN 0.419 nan 8.270 nan 0.000 0.468 446 V N 4.533 124.536 119.914 0.148 0.000 2.313 446 V HA 0.120 4.227 4.120 -0.020 0.000 0.278 446 V C 0.609 176.725 176.094 0.038 0.000 1.017 446 V CA -0.886 61.474 62.300 0.098 0.000 0.823 446 V CB 1.179 33.096 31.823 0.156 0.000 1.010 446 V HN 0.615 nan 8.190 nan 0.000 0.443 447 V N 2.202 122.091 119.914 -0.042 0.000 3.139 447 V HA 0.214 4.322 4.120 -0.020 0.000 0.307 447 V C 1.028 177.128 176.094 0.010 0.000 1.095 447 V CA 0.025 62.271 62.300 -0.089 0.000 1.160 447 V CB 0.712 32.409 31.823 -0.210 0.000 1.003 447 V HN 0.973 nan 8.190 nan 0.000 0.489 448 E N 0.515 120.727 120.200 0.020 0.000 2.444 448 E HA 0.138 4.475 4.350 -0.020 0.000 0.191 448 E C 0.020 176.693 176.600 0.121 0.000 1.041 448 E CA -0.140 56.311 56.400 0.084 0.000 0.883 448 E CB 0.218 29.958 29.700 0.065 0.000 1.024 448 E HN 0.851 nan 8.360 nan 0.000 0.470 449 S N 1.159 116.925 115.700 0.109 0.000 2.411 449 S HA 0.178 4.636 4.470 -0.020 0.000 0.294 449 S C -0.664 174.070 174.600 0.222 0.000 1.115 449 S CA -0.595 57.683 58.200 0.130 0.000 1.071 449 S CB 0.312 63.552 63.200 0.067 0.000 0.967 449 S HN 0.209 nan 8.310 nan 0.000 0.488 450 Y N 2.150 122.484 120.300 0.056 0.000 2.298 450 Y HA 0.150 4.687 4.550 -0.020 0.000 0.329 450 Y C 0.362 176.289 175.900 0.045 0.000 1.293 450 Y CA -1.051 57.086 58.100 0.060 0.000 1.388 450 Y CB 0.413 38.863 38.460 -0.017 0.000 1.309 450 Y HN 0.504 nan 8.280 nan 0.000 0.544 451 D N 3.420 123.463 120.400 -0.595 0.000 2.402 451 D HA 0.042 4.670 4.640 -0.020 0.000 0.268 451 D C -0.324 175.886 176.300 -0.149 0.000 1.294 451 D CA 0.813 54.597 54.000 -0.360 0.000 0.945 451 D CB -0.392 40.110 40.800 -0.497 0.000 1.112 451 D HN 0.431 nan 8.370 nan 0.000 0.517 452 I N 1.732 122.287 120.570 -0.025 0.000 2.355 452 I HA 0.095 4.253 4.170 -0.020 0.000 0.288 452 I C -0.284 175.859 176.117 0.044 0.000 0.999 452 I CA -0.685 60.637 61.300 0.036 0.000 1.163 452 I CB 0.999 39.059 38.000 0.100 0.000 1.316 452 I HN 0.012 nan 8.210 nan 0.000 0.454 453 D N 8.174 128.581 120.400 0.011 0.000 2.662 453 D HA 0.117 4.745 4.640 -0.020 0.000 0.228 453 D C 0.231 176.522 176.300 -0.015 0.000 1.093 453 D CA 0.187 54.187 54.000 0.001 0.000 1.075 453 D CB 0.477 41.269 40.800 -0.012 0.000 1.122 453 D HN 0.569 nan 8.370 nan 0.000 0.475 454 A N 3.077 125.890 122.820 -0.012 0.000 2.350 454 A HA 0.380 4.687 4.320 -0.020 0.000 0.293 454 A C 0.400 177.885 177.584 -0.165 0.000 1.231 454 A CA -0.239 51.697 52.037 -0.168 0.000 0.883 454 A CB 0.464 19.190 19.000 -0.456 0.000 1.133 454 A HN 0.333 nan 8.150 nan 0.000 0.533 455 R N 2.290 122.709 120.500 -0.136 0.000 2.744 455 R HA 0.708 5.036 4.340 -0.020 0.000 0.279 455 R C -0.533 175.712 176.300 -0.092 0.000 0.977 455 R CA -0.585 55.458 56.100 -0.094 0.000 0.906 455 R CB 2.218 32.488 30.300 -0.050 0.000 1.197 455 R HN 0.901 nan 8.270 nan 0.000 0.463 456 M N -0.156 119.392 119.600 -0.086 0.000 2.593 456 M HA 0.791 5.259 4.480 -0.020 0.000 0.290 456 M C -0.191 176.065 176.300 -0.074 0.000 1.244 456 M CA -0.447 54.811 55.300 -0.070 0.000 0.857 456 M CB 2.170 34.702 32.600 -0.114 0.000 1.738 456 M HN 0.709 nan 8.290 nan 0.000 0.461 457 G N 0.905 109.668 108.800 -0.061 0.000 2.710 457 G HA2 0.086 4.033 3.960 -0.020 0.000 0.668 457 G HA3 0.086 4.033 3.960 -0.020 0.000 0.668 457 G C 0.327 175.119 174.900 -0.180 0.000 1.320 457 G CA 0.086 45.080 45.100 -0.176 0.000 0.860 457 G HN 1.642 nan 8.290 nan 0.000 0.538 458 A N -0.471 122.133 122.820 -0.360 0.000 2.139 458 A HA -0.026 4.282 4.320 -0.020 0.000 0.221 458 A C 2.084 179.619 177.584 -0.082 0.000 1.159 458 A CA 2.638 54.527 52.037 -0.247 0.000 0.662 458 A CB -0.477 18.345 19.000 -0.296 0.000 0.796 458 A HN 1.299 nan 8.150 nan 0.000 0.463 459 E N 0.142 120.290 120.200 -0.086 0.000 2.031 459 E HA -0.118 4.220 4.350 -0.020 0.000 0.193 459 E C 2.112 178.702 176.600 -0.017 0.000 0.994 459 E CA 1.273 57.646 56.400 -0.046 0.000 0.800 459 E CB -0.389 29.279 29.700 -0.052 0.000 0.752 459 E HN 0.499 nan 8.360 nan 0.000 0.447 460 A N 1.430 124.244 122.820 -0.011 0.000 1.908 460 A HA -0.168 4.140 4.320 -0.020 0.000 0.218 460 A C 2.238 179.845 177.584 0.038 0.000 1.181 460 A CA 1.636 53.679 52.037 0.010 0.000 0.627 460 A CB -0.637 18.372 19.000 0.016 0.000 0.818 460 A HN 0.431 nan 8.150 nan 0.000 0.445 461 I N -0.711 119.908 120.570 0.083 0.000 2.439 461 I HA -0.199 3.959 4.170 -0.020 0.000 0.251 461 I C 2.631 178.786 176.117 0.064 0.000 1.139 461 I CA 1.650 63.018 61.300 0.112 0.000 1.438 461 I CB -1.014 37.140 38.000 0.256 0.000 1.085 461 I HN 0.558 nan 8.210 nan 0.000 0.427 462 Q N 0.975 120.802 119.800 0.046 0.000 2.084 462 Q HA -0.219 4.109 4.340 -0.020 0.000 0.202 462 Q C 2.308 178.306 176.000 -0.002 0.000 0.978 462 Q CA 1.563 57.381 55.803 0.025 0.000 0.844 462 Q CB 0.167 28.918 28.738 0.021 0.000 0.898 462 Q HN 0.409 nan 8.270 nan 0.000 0.426 463 Q N 0.362 120.161 119.800 -0.003 0.000 1.967 463 Q HA -0.171 4.157 4.340 -0.020 0.000 0.202 463 Q C 2.330 178.315 176.000 -0.026 0.000 0.985 463 Q CA 1.489 57.283 55.803 -0.015 0.000 0.839 463 Q CB -0.656 28.075 28.738 -0.012 0.000 0.906 463 Q HN 0.452 nan 8.270 nan 0.000 0.423 464 L N 0.396 121.610 121.223 -0.016 0.000 2.051 464 L HA -0.230 4.098 4.340 -0.020 0.000 0.214 464 L C 2.581 179.422 176.870 -0.048 0.000 1.076 464 L CA 0.963 55.789 54.840 -0.023 0.000 0.758 464 L CB -0.524 41.532 42.059 -0.005 0.000 0.890 464 L HN 0.180 nan 8.230 nan 0.000 0.433 465 L N -0.640 120.551 121.223 -0.053 0.000 2.093 465 L HA -0.205 4.123 4.340 -0.020 0.000 0.208 465 L C 2.665 179.447 176.870 -0.147 0.000 1.085 465 L CA 1.296 56.073 54.840 -0.104 0.000 0.755 465 L CB -0.181 41.824 42.059 -0.090 0.000 0.904 465 L HN 0.200 nan 8.230 nan 0.000 0.435 466 K N -0.374 119.956 120.400 -0.116 0.000 2.155 466 K HA -0.135 4.172 4.320 -0.020 0.000 0.203 466 K C 1.755 178.286 176.600 -0.115 0.000 1.052 466 K CA 1.017 57.224 56.287 -0.133 0.000 0.948 466 K CB 0.058 32.503 32.500 -0.091 0.000 0.728 466 K HN 0.398 nan 8.250 nan 0.000 0.448 467 E N 0.724 120.873 120.200 -0.085 0.000 2.338 467 E HA -0.058 4.280 4.350 -0.020 0.000 0.197 467 E C 0.026 176.581 176.600 -0.076 0.000 1.007 467 E CA 0.272 56.631 56.400 -0.068 0.000 0.849 467 E CB 0.013 29.684 29.700 -0.048 0.000 0.774 467 E HN 0.228 nan 8.360 nan 0.000 0.506 468 L N 1.954 123.117 121.223 -0.100 0.000 2.319 468 L HA 0.158 4.486 4.340 -0.020 0.000 0.280 468 L C 0.310 177.117 176.870 -0.106 0.000 1.099 468 L CA -0.417 54.364 54.840 -0.098 0.000 0.828 468 L CB 0.479 42.469 42.059 -0.115 0.000 1.150 468 L HN -0.126 nan 8.230 nan 0.000 0.442 469 D N 4.318 124.672 120.400 -0.077 0.000 2.524 469 D HA 0.163 4.790 4.640 -0.020 0.000 0.222 469 D C 1.293 177.556 176.300 -0.062 0.000 1.142 469 D CA -0.250 53.709 54.000 -0.070 0.000 0.973 469 D CB 0.751 41.522 40.800 -0.048 0.000 1.025 469 D HN 0.469 nan 8.370 nan 0.000 0.519 470 L N 1.939 123.113 121.223 -0.081 0.000 2.103 470 L HA -0.245 4.082 4.340 -0.020 0.000 0.215 470 L C 2.020 178.873 176.870 -0.028 0.000 1.080 470 L CA 1.267 56.071 54.840 -0.061 0.000 0.764 470 L CB -0.457 41.559 42.059 -0.072 0.000 0.890 470 L HN 0.382 nan 8.230 nan 0.000 0.435 471 E N 0.162 120.346 120.200 -0.026 0.000 2.265 471 E HA -0.189 4.149 4.350 -0.020 0.000 0.196 471 E C 2.270 178.866 176.600 -0.006 0.000 0.996 471 E CA 1.058 57.452 56.400 -0.010 0.000 0.832 471 E CB -0.070 29.624 29.700 -0.011 0.000 0.756 471 E HN 0.595 nan 8.360 nan 0.000 0.491 472 A N 1.200 124.012 122.820 -0.013 0.000 1.874 472 A HA -0.095 4.212 4.320 -0.020 0.000 0.214 472 A C 2.136 179.718 177.584 -0.003 0.000 1.189 472 A CA 0.625 52.657 52.037 -0.008 0.000 0.615 472 A CB -0.506 18.485 19.000 -0.014 0.000 0.830 472 A HN 0.191 nan 8.150 nan 0.000 0.443 473 L N -0.010 121.208 121.223 -0.008 0.000 2.265 473 L HA -0.137 4.190 4.340 -0.020 0.000 0.215 473 L C 2.322 179.197 176.870 0.008 0.000 1.117 473 L CA 2.024 56.862 54.840 -0.002 0.000 0.782 473 L CB -0.219 41.834 42.059 -0.010 0.000 0.914 473 L HN 0.642 nan 8.230 nan 0.000 0.441 474 E N -0.481 119.725 120.200 0.009 0.000 2.028 474 E HA -0.245 4.093 4.350 -0.020 0.000 0.191 474 E C 2.086 178.698 176.600 0.020 0.000 0.988 474 E CA 1.168 57.578 56.400 0.017 0.000 0.799 474 E CB 0.021 29.732 29.700 0.018 0.000 0.755 474 E HN 0.452 nan 8.360 nan 0.000 0.447 475 K N 0.430 120.841 120.400 0.019 0.000 2.097 475 K HA -0.185 4.123 4.320 -0.020 0.000 0.205 475 K C 2.252 178.871 176.600 0.032 0.000 1.050 475 K CA 1.415 57.718 56.287 0.026 0.000 0.938 475 K CB -0.118 32.395 32.500 0.022 0.000 0.718 475 K HN 0.215 nan 8.250 nan 0.000 0.442 476 E N 1.146 121.360 120.200 0.024 0.000 2.110 476 E HA -0.184 4.154 4.350 -0.020 0.000 0.193 476 E C 1.907 178.527 176.600 0.034 0.000 0.988 476 E CA 0.892 57.309 56.400 0.027 0.000 0.804 476 E CB 0.067 29.777 29.700 0.016 0.000 0.745 476 E HN 0.228 nan 8.360 nan 0.000 0.458 477 L N 0.393 121.632 121.223 0.026 0.000 2.131 477 L HA -0.082 4.245 4.340 -0.020 0.000 0.206 477 L C 2.558 179.441 176.870 0.022 0.000 1.087 477 L CA 0.366 55.220 54.840 0.024 0.000 0.767 477 L CB -0.237 41.834 42.059 0.019 0.000 0.917 477 L HN 0.251 nan 8.230 nan 0.000 0.441 478 L N -0.251 120.986 121.223 0.024 0.000 2.129 478 L HA -0.242 4.085 4.340 -0.020 0.000 0.212 478 L C 2.504 179.379 176.870 0.008 0.000 1.087 478 L CA 1.388 56.236 54.840 0.014 0.000 0.757 478 L CB -0.331 41.743 42.059 0.025 0.000 0.896 478 L HN 0.349 nan 8.230 nan 0.000 0.434 479 E N -0.684 119.560 120.200 0.073 0.000 2.250 479 E HA -0.185 4.153 4.350 -0.020 0.000 0.192 479 E C 1.849 178.568 176.600 0.199 0.000 0.986 479 E CA 0.576 57.097 56.400 0.202 0.000 0.849 479 E CB 0.168 30.015 29.700 0.246 0.000 0.797 479 E HN 0.434 nan 8.360 nan 0.000 0.482 480 E N 1.660 121.917 120.200 0.094 0.000 2.274 480 E HA -0.143 4.194 4.350 -0.020 0.000 0.194 480 E C 2.096 178.708 176.600 0.020 0.000 0.996 480 E CA 0.638 57.078 56.400 0.068 0.000 0.840 480 E CB -0.097 29.628 29.700 0.042 0.000 0.772 480 E HN 0.204 nan 8.360 nan 0.000 0.491 481 M N 0.130 119.720 119.600 -0.017 0.000 2.066 481 M HA -0.177 4.291 4.480 -0.020 0.000 0.259 481 M C 2.029 178.262 176.300 -0.112 0.000 1.074 481 M CA 1.876 57.146 55.300 -0.050 0.000 1.114 481 M CB -0.080 32.492 32.600 -0.048 0.000 1.306 481 M HN -0.047 nan 8.290 nan 0.000 0.411 482 K N -1.537 118.710 120.400 -0.255 0.000 2.305 482 K HA -0.041 4.267 4.320 -0.020 0.000 0.199 482 K C 1.345 177.724 176.600 -0.368 0.000 1.047 482 K CA 1.062 57.135 56.287 -0.357 0.000 0.976 482 K CB 0.067 32.266 32.500 -0.502 0.000 0.765 482 K HN 0.594 nan 8.250 nan 0.000 0.474 483 H N -0.441 118.631 119.070 0.005 0.000 2.283 483 H HA 0.141 4.684 4.556 -0.020 0.000 0.320 483 H C -1.416 173.913 175.328 0.002 0.000 1.074 483 H CA -0.382 55.668 56.048 0.003 0.000 1.476 483 H CB -1.196 28.567 29.762 0.003 0.000 1.465 483 H HN -0.010 nan 8.280 nan 0.000 0.573 484 P HA -0.048 nan 4.420 nan 0.000 0.273 484 P C -0.078 177.242 177.300 0.032 0.000 1.252 484 P CA 0.185 63.322 63.100 0.061 0.000 0.809 484 P CB 0.412 32.141 31.700 0.049 0.000 1.017 485 S N 0.307 116.021 115.700 0.022 0.000 2.612 485 S HA 0.092 4.550 4.470 -0.020 0.000 0.253 485 S C 1.188 175.791 174.600 0.006 0.000 1.346 485 S CA -0.335 57.872 58.200 0.011 0.000 0.976 485 S CB 0.298 63.503 63.200 0.009 0.000 0.949 485 S HN 0.241 nan 8.310 nan 0.000 0.584 486 R N 0.398 120.899 120.500 0.001 0.000 2.189 486 R HA 0.049 4.377 4.340 -0.020 0.000 0.218 486 R C 2.408 178.708 176.300 -0.001 0.000 1.074 486 R CA 1.126 57.224 56.100 -0.003 0.000 0.991 486 R CB -1.856 28.441 30.300 -0.005 0.000 0.883 486 R HN 0.795 nan 8.270 nan 0.000 0.457 487 A N 1.362 124.183 122.820 0.002 0.000 1.834 487 A HA -0.175 4.132 4.320 -0.020 0.000 0.216 487 A C 2.150 179.736 177.584 0.004 0.000 1.203 487 A CA 1.412 53.450 52.037 0.002 0.000 0.621 487 A CB -0.419 18.583 19.000 0.003 0.000 0.841 487 A HN 0.230 nan 8.150 nan 0.000 0.446 488 R N -0.872 119.632 120.500 0.007 0.000 2.236 488 R HA -0.009 4.319 4.340 -0.020 0.000 0.208 488 R C 2.399 178.704 176.300 0.008 0.000 1.036 488 R CA 1.031 57.137 56.100 0.009 0.000 1.001 488 R CB -0.188 30.119 30.300 0.012 0.000 0.896 488 R HN 0.708 nan 8.270 nan 0.000 0.464 489 R N 0.781 121.285 120.500 0.006 0.000 2.075 489 R HA 0.041 4.368 4.340 -0.020 0.000 0.226 489 R C 2.038 178.336 176.300 -0.002 0.000 1.114 489 R CA 1.278 57.378 56.100 0.000 0.000 0.972 489 R CB -0.228 30.068 30.300 -0.007 0.000 0.869 489 R HN 0.103 nan 8.270 nan 0.000 0.437 490 A N 2.028 124.847 122.820 -0.001 0.000 1.845 490 A HA -0.162 4.145 4.320 -0.020 0.000 0.215 490 A C 2.020 179.606 177.584 0.003 0.000 1.195 490 A CA 1.812 53.848 52.037 -0.001 0.000 0.616 490 A CB -0.462 18.537 19.000 -0.002 0.000 0.832 490 A HN 0.427 nan 8.150 nan 0.000 0.443 491 K N -0.115 120.288 120.400 0.004 0.000 2.281 491 K HA -0.044 4.263 4.320 -0.020 0.000 0.203 491 K C 1.985 178.591 176.600 0.009 0.000 1.046 491 K CA 0.962 57.253 56.287 0.007 0.000 0.938 491 K CB -0.284 32.220 32.500 0.006 0.000 0.737 491 K HN 0.478 nan 8.250 nan 0.000 0.458 492 A N 1.551 124.376 122.820 0.008 0.000 1.970 492 A HA -0.113 4.195 4.320 -0.020 0.000 0.216 492 A C 2.077 179.667 177.584 0.011 0.000 1.170 492 A CA 0.923 52.966 52.037 0.010 0.000 0.645 492 A CB -0.335 18.671 19.000 0.009 0.000 0.816 492 A HN 0.280 nan 8.150 nan 0.000 0.447 493 R N 0.350 120.855 120.500 0.008 0.000 2.080 493 R HA -0.183 4.145 4.340 -0.020 0.000 0.236 493 R C 2.160 178.470 176.300 0.017 0.000 1.137 493 R CA 2.059 58.166 56.100 0.012 0.000 0.943 493 R CB -0.402 29.904 30.300 0.010 0.000 0.846 493 R HN 0.427 nan 8.270 nan 0.000 0.431 494 K N 0.326 120.735 120.400 0.016 0.000 2.063 494 K HA -0.193 4.115 4.320 -0.020 0.000 0.208 494 K C 2.308 178.919 176.600 0.019 0.000 1.048 494 K CA 1.700 57.997 56.287 0.018 0.000 0.928 494 K CB -0.125 32.384 32.500 0.016 0.000 0.713 494 K HN 0.179 nan 8.250 nan 0.000 0.442 495 R N 0.536 121.047 120.500 0.019 0.000 2.200 495 R HA -0.053 4.274 4.340 -0.020 0.000 0.208 495 R C 2.144 178.461 176.300 0.028 0.000 1.033 495 R CA 0.466 56.579 56.100 0.022 0.000 1.000 495 R CB 0.008 30.320 30.300 0.019 0.000 0.906 495 R HN 0.212 nan 8.270 nan 0.000 0.462 496 L N 1.009 122.247 121.223 0.025 0.000 2.341 496 L HA 0.040 4.368 4.340 -0.020 0.000 0.214 496 L C 1.623 178.510 176.870 0.030 0.000 1.115 496 L CA 1.459 56.316 54.840 0.028 0.000 0.820 496 L CB -0.017 42.056 42.059 0.024 0.000 0.944 496 L HN 0.092 nan 8.230 nan 0.000 0.452 497 E N -0.357 119.857 120.200 0.023 0.000 2.017 497 E HA -0.229 4.109 4.350 -0.020 0.000 0.193 497 E C 2.250 178.843 176.600 -0.011 0.000 0.997 497 E CA 2.156 58.563 56.400 0.012 0.000 0.804 497 E CB -0.402 29.305 29.700 0.011 0.000 0.757 497 E HN 0.530 nan 8.360 nan 0.000 0.448 498 V N -0.455 119.448 119.914 -0.017 0.000 2.282 498 V HA -0.243 3.865 4.120 -0.020 0.000 0.249 498 V C 2.309 178.433 176.094 0.050 0.000 1.057 498 V CA 1.915 64.179 62.300 -0.060 0.000 1.032 498 V CB -1.120 30.704 31.823 0.000 0.000 0.645 498 V HN 0.072 nan 8.190 nan 0.000 0.447 499 V N 0.053 120.055 119.914 0.146 0.000 2.490 499 V HA -0.156 3.952 4.120 -0.020 0.000 0.250 499 V C 3.000 179.177 176.094 0.138 0.000 1.061 499 V CA 2.179 64.599 62.300 0.200 0.000 1.064 499 V CB -1.155 30.725 31.823 0.094 0.000 0.670 499 V HN 0.457 nan 8.190 nan 0.000 0.461 500 R N 0.424 120.963 120.500 0.066 0.000 2.075 500 R HA 0.025 4.353 4.340 -0.020 0.000 0.232 500 R C 2.425 178.742 176.300 0.028 0.000 1.126 500 R CA 1.589 57.714 56.100 0.043 0.000 0.963 500 R CB -1.044 29.273 30.300 0.028 0.000 0.858 500 R HN 0.532 nan 8.270 nan 0.000 0.435 501 A N 0.294 123.098 122.820 -0.027 0.000 1.898 501 A HA -0.118 4.189 4.320 -0.020 0.000 0.216 501 A C 2.038 179.591 177.584 -0.052 0.000 1.181 501 A CA 0.947 52.934 52.037 -0.084 0.000 0.620 501 A CB -0.649 18.234 19.000 -0.194 0.000 0.819 501 A HN 0.159 nan 8.150 nan 0.000 0.442 502 F N -0.055 119.857 119.950 -0.063 0.000 2.087 502 F HA -0.213 4.302 4.527 -0.020 0.000 0.299 502 F C 2.172 177.936 175.800 -0.061 0.000 1.100 502 F CA 1.739 59.693 58.000 -0.078 0.000 1.226 502 F CB -0.617 38.322 39.000 -0.101 0.000 0.983 502 F HN 0.122 nan 8.300 nan 0.000 0.479 503 L N -1.106 120.220 121.223 0.173 0.000 2.068 503 L HA -0.172 4.156 4.340 -0.020 0.000 0.204 503 L C 2.306 179.207 176.870 0.052 0.000 1.076 503 L CA 1.076 55.963 54.840 0.078 0.000 0.753 503 L CB -0.634 41.457 42.059 0.052 0.000 0.910 503 L HN 0.057 nan 8.230 nan 0.000 0.439 504 D N -0.291 120.134 120.400 0.041 0.000 2.435 504 D HA -0.195 4.433 4.640 -0.020 0.000 0.206 504 D C 0.733 177.047 176.300 0.024 0.000 1.055 504 D CA 1.513 55.528 54.000 0.024 0.000 0.908 504 D CB 0.136 40.943 40.800 0.010 0.000 1.151 504 D HN 0.134 nan 8.370 nan 0.000 0.479 505 S N -2.239 113.473 115.700 0.020 0.000 2.536 505 S HA 0.559 5.017 4.470 -0.020 0.000 0.271 505 S C -0.140 174.475 174.600 0.024 0.000 1.134 505 S CA 0.117 58.332 58.200 0.024 0.000 0.897 505 S CB 1.685 64.897 63.200 0.019 0.000 1.094 505 S HN 0.683 nan 8.310 nan 0.000 0.473 506 G N 4.213 113.038 108.800 0.042 0.000 2.253 506 G HA2 -0.025 3.923 3.960 -0.020 0.000 0.190 506 G HA3 -0.025 3.923 3.960 -0.020 0.000 0.190 506 G C -1.214 173.744 174.900 0.097 0.000 1.274 506 G CA -0.520 44.610 45.100 0.050 0.000 1.275 506 G HN 0.773 nan 8.290 nan 0.000 0.518 507 N N -0.583 118.202 118.700 0.142 0.000 2.545 507 N HA 0.648 5.376 4.740 -0.020 0.000 0.289 507 N C -0.143 175.484 175.510 0.196 0.000 1.279 507 N CA -0.916 52.264 53.050 0.217 0.000 0.824 507 N CB 1.912 40.604 38.487 0.341 0.000 1.395 507 N HN 0.520 nan 8.380 nan 0.000 0.526 508 R N 0.948 121.474 120.500 0.043 0.000 2.528 508 R HA 0.232 4.560 4.340 -0.020 0.000 0.271 508 R C -1.564 174.399 176.300 -0.562 0.000 1.056 508 R CA -1.664 54.280 56.100 -0.260 0.000 1.117 508 R CB 0.685 30.758 30.300 -0.379 0.000 1.085 508 R HN 0.437 nan 8.270 nan 0.000 0.530 509 P HA -0.038 nan 4.420 nan 0.000 0.242 509 P C -0.322 176.582 177.300 -0.661 0.000 1.197 509 P CA 0.913 63.395 63.100 -1.030 0.000 0.765 509 P CB 0.319 31.002 31.700 -1.695 0.000 0.936 510 E N -0.265 119.442 120.200 -0.822 0.000 2.208 510 E HA -0.127 4.211 4.350 -0.020 0.000 0.193 510 E C 1.550 178.087 176.600 -0.105 0.000 0.988 510 E CA 0.924 57.020 56.400 -0.506 0.000 0.828 510 E CB -0.522 28.812 29.700 -0.609 0.000 0.763 510 E HN 0.489 nan 8.360 nan 0.000 0.478 511 W N 0.588 121.882 121.300 -0.010 0.000 2.468 511 W HA -0.068 4.580 4.660 -0.021 0.000 0.262 511 W C 1.945 178.534 176.519 0.117 0.000 1.241 511 W CA -0.206 57.162 57.345 0.038 0.000 1.232 511 W CB -0.270 29.214 29.460 0.041 0.000 1.124 511 W HN 0.046 nan 8.180 nan 0.000 0.597 512 M N -0.017 119.775 119.600 0.320 0.000 2.446 512 M HA -0.096 4.372 4.480 -0.020 0.000 0.263 512 M C 0.687 177.211 176.300 0.372 0.000 1.066 512 M CA 1.030 56.577 55.300 0.411 0.000 1.087 512 M CB -0.207 32.582 32.600 0.315 0.000 1.406 512 M HN -0.170 nan 8.290 nan 0.000 0.459 513 I N 1.352 122.080 120.570 0.263 0.000 2.331 513 I HA 0.234 4.392 4.170 -0.020 0.000 0.292 513 I C -0.217 176.004 176.117 0.173 0.000 0.998 513 I CA -0.397 61.025 61.300 0.204 0.000 1.267 513 I CB 1.198 39.280 38.000 0.136 0.000 1.386 513 I HN 0.075 nan 8.210 nan 0.000 0.476 514 L N 7.170 128.473 121.223 0.133 0.000 2.292 514 L HA 0.246 4.574 4.340 -0.020 0.000 0.284 514 L C 1.126 178.016 176.870 0.033 0.000 1.065 514 L CA 0.035 54.928 54.840 0.088 0.000 0.806 514 L CB 0.964 43.063 42.059 0.067 0.000 1.175 514 L HN 0.660 nan 8.230 nan 0.000 0.431 515 E N 2.084 122.300 120.200 0.027 0.000 2.568 515 E HA 0.259 4.596 4.350 -0.020 0.000 0.220 515 E C 0.010 176.618 176.600 0.012 0.000 0.869 515 E CA -0.247 56.159 56.400 0.009 0.000 1.268 515 E CB 0.957 30.663 29.700 0.010 0.000 1.252 515 E HN 0.468 nan 8.360 nan 0.000 0.606 516 A N 1.800 124.625 122.820 0.008 0.000 2.363 516 A HA 0.510 4.818 4.320 -0.020 0.000 0.296 516 A C -0.583 177.032 177.584 0.051 0.000 1.237 516 A CA -0.579 51.472 52.037 0.024 0.000 0.773 516 A CB 1.178 20.138 19.000 -0.067 0.000 1.153 516 A HN 0.056 nan 8.150 nan 0.000 0.473 517 V N 4.735 124.705 119.914 0.093 0.000 2.389 517 V HA 0.239 4.347 4.120 -0.020 0.000 0.264 517 V C -2.221 173.978 176.094 0.175 0.000 1.049 517 V CA -1.342 61.017 62.300 0.098 0.000 0.932 517 V CB 0.932 32.797 31.823 0.070 0.000 1.011 517 V HN 0.691 nan 8.190 nan 0.000 0.475 518 P HA 0.183 nan 4.420 nan 0.000 0.271 518 P C -0.643 176.811 177.300 0.257 0.000 1.216 518 P CA 0.004 63.265 63.100 0.270 0.000 0.776 518 P CB 0.780 32.703 31.700 0.371 0.000 0.881 519 V N 4.747 124.818 119.914 0.262 0.000 2.398 519 V HA 0.196 4.304 4.120 -0.020 0.000 0.286 519 V C 0.399 176.599 176.094 0.176 0.000 1.026 519 V CA -0.825 61.636 62.300 0.269 0.000 0.868 519 V CB 1.273 33.151 31.823 0.092 0.000 0.982 519 V HN 0.427 nan 8.190 nan 0.000 0.443 520 L N 8.646 129.987 121.223 0.197 0.000 2.483 520 L HA 0.362 4.690 4.340 -0.020 0.000 0.275 520 L C -2.173 174.689 176.870 -0.014 0.000 1.220 520 L CA -0.406 54.479 54.840 0.075 0.000 0.833 520 L CB 0.080 42.197 42.059 0.097 0.000 1.102 520 L HN 0.410 nan 8.230 nan 0.000 0.490 521 P HA 0.015 nan 4.420 nan 0.000 0.271 521 P C -2.317 174.874 177.300 -0.182 0.000 1.228 521 P CA -0.282 62.815 63.100 -0.006 0.000 0.797 521 P CB 0.063 31.780 31.700 0.028 0.000 0.914 522 P HA -0.010 nan 4.420 nan 0.000 0.216 522 P C 0.700 177.926 177.300 -0.123 0.000 1.151 522 P CA 1.120 63.961 63.100 -0.433 0.000 0.863 522 P CB 0.055 31.451 31.700 -0.506 0.000 0.790 523 D N -0.651 119.729 120.400 -0.033 0.000 2.351 523 D HA -0.052 4.576 4.640 -0.020 0.000 0.216 523 D C 1.552 177.862 176.300 0.016 0.000 0.968 523 D CA 0.841 54.852 54.000 0.018 0.000 0.899 523 D CB -0.180 40.618 40.800 -0.003 0.000 0.907 523 D HN 0.211 nan 8.370 nan 0.000 0.514 524 L N 0.011 121.230 121.223 -0.007 0.000 2.567 524 L HA 0.107 4.435 4.340 -0.020 0.000 0.225 524 L C 0.879 177.749 176.870 0.000 0.000 1.119 524 L CA 0.217 55.060 54.840 0.004 0.000 0.871 524 L CB 0.213 42.276 42.059 0.005 0.000 1.036 524 L HN -0.041 nan 8.230 nan 0.000 0.459 525 R N -1.188 119.299 120.500 -0.022 0.000 2.795 525 R HA 0.369 4.696 4.340 -0.020 0.000 0.320 525 R C -2.800 173.566 176.300 0.110 0.000 1.223 525 R CA -1.600 54.504 56.100 0.006 0.000 1.305 525 R CB -0.356 29.905 30.300 -0.064 0.000 1.318 525 R HN -0.110 nan 8.270 nan 0.000 0.636 526 P HA -0.131 nan 4.420 nan 0.000 0.271 526 P C -0.644 176.791 177.300 0.225 0.000 1.212 526 P CA 0.099 63.312 63.100 0.189 0.000 0.788 526 P CB 0.427 32.180 31.700 0.089 0.000 0.865 527 M N 2.312 121.995 119.600 0.139 0.000 2.067 527 M HA 0.372 4.839 4.480 -0.020 0.000 0.286 527 M C -1.735 174.593 176.300 0.046 0.000 0.922 527 M CA -0.330 54.996 55.300 0.044 0.000 0.937 527 M CB 0.801 33.225 32.600 -0.293 0.000 1.550 527 M HN -0.028 nan 8.290 nan 0.000 0.433 528 V N 2.818 122.750 119.914 0.030 0.000 3.040 528 V HA 0.506 4.614 4.120 -0.020 0.000 0.312 528 V C -0.502 175.340 176.094 -0.420 0.000 1.115 528 V CA -0.975 61.248 62.300 -0.128 0.000 0.998 528 V CB 2.308 34.076 31.823 -0.091 0.000 1.042 528 V HN 0.654 nan 8.190 nan 0.000 0.433 529 Q N 0.664 120.130 119.800 -0.556 0.000 2.307 529 Q HA 0.406 4.734 4.340 -0.020 0.000 0.259 529 Q C 0.046 175.816 176.000 -0.384 0.000 0.998 529 Q CA -0.239 55.116 55.803 -0.747 0.000 0.923 529 Q CB 1.706 30.100 28.738 -0.574 0.000 1.196 529 Q HN 0.649 nan 8.270 nan 0.000 0.416 530 V N 1.894 121.611 119.914 -0.329 0.000 2.790 530 V HA 0.118 4.226 4.120 -0.020 0.000 0.204 530 V C -0.088 175.929 176.094 -0.129 0.000 1.189 530 V CA 0.549 62.748 62.300 -0.168 0.000 1.268 530 V CB 0.293 32.054 31.823 -0.103 0.000 0.913 530 V HN 0.668 nan 8.190 nan 0.000 0.502 531 D N -1.461 118.883 120.400 -0.092 0.000 2.936 531 D HA 0.534 5.162 4.640 -0.020 0.000 0.238 531 D C 0.547 176.823 176.300 -0.040 0.000 1.248 531 D CA 0.669 54.632 54.000 -0.061 0.000 0.903 531 D CB 1.489 42.265 40.800 -0.041 0.000 1.544 531 D HN 0.584 nan 8.370 nan 0.000 0.543 532 G N 1.780 110.561 108.800 -0.033 0.000 2.550 532 G HA2 -0.225 3.722 3.960 -0.020 0.000 0.233 532 G HA3 -0.225 3.722 3.960 -0.020 0.000 0.233 532 G C 0.894 175.798 174.900 0.007 0.000 1.170 532 G CA 0.598 45.691 45.100 -0.011 0.000 0.693 532 G HN 1.361 nan 8.290 nan 0.000 0.512 533 G N -0.926 107.885 108.800 0.017 0.000 4.362 533 G HA2 0.228 4.175 3.960 -0.020 0.000 0.220 533 G HA3 0.228 4.175 3.960 -0.020 0.000 0.220 533 G C 0.096 175.089 174.900 0.154 0.000 0.795 533 G CA 0.521 45.672 45.100 0.086 0.000 0.920 533 G HN 0.630 nan 8.290 nan 0.000 0.715 534 R N 0.077 120.618 120.500 0.068 0.000 2.390 534 R HA 0.600 4.928 4.340 -0.020 0.000 0.291 534 R C -1.051 175.282 176.300 0.056 0.000 1.070 534 R CA -0.122 56.032 56.100 0.090 0.000 1.014 534 R CB 0.571 30.888 30.300 0.029 0.000 1.007 534 R HN 0.055 nan 8.270 nan 0.000 0.466 535 F N 1.020 120.958 119.950 -0.020 0.000 2.495 535 F HA 0.504 5.019 4.527 -0.020 0.000 0.327 535 F C 0.085 175.875 175.800 -0.016 0.000 1.103 535 F CA -0.522 57.464 58.000 -0.023 0.000 0.949 535 F CB 2.088 41.069 39.000 -0.032 0.000 1.142 535 F HN 0.481 nan 8.300 nan 0.000 0.457 536 A N 2.345 125.229 122.820 0.107 0.000 2.331 536 A HA 0.719 5.026 4.320 -0.020 0.000 0.320 536 A C -0.555 177.089 177.584 0.100 0.000 1.138 536 A CA -0.521 51.564 52.037 0.080 0.000 0.790 536 A CB 1.450 20.465 19.000 0.025 0.000 1.206 536 A HN 0.656 nan 8.150 nan 0.000 0.470 537 T N 0.691 115.307 114.554 0.104 0.000 2.906 537 T HA 0.549 4.886 4.350 -0.020 0.000 0.295 537 T C -0.154 174.607 174.700 0.102 0.000 1.075 537 T CA -0.326 61.847 62.100 0.121 0.000 1.005 537 T CB 1.082 70.037 68.868 0.146 0.000 1.136 537 T HN 0.611 nan 8.240 nan 0.000 0.498 538 S N 3.366 119.133 115.700 0.111 0.000 2.498 538 S HA 0.069 4.527 4.470 -0.020 0.000 0.281 538 S C 1.218 175.867 174.600 0.082 0.000 1.265 538 S CA -0.491 57.759 58.200 0.083 0.000 1.071 538 S CB 0.488 63.734 63.200 0.076 0.000 0.894 538 S HN 0.756 nan 8.310 nan 0.000 0.491 539 D N 1.883 122.319 120.400 0.059 0.000 2.218 539 D HA -0.190 4.438 4.640 -0.020 0.000 0.194 539 D C 1.748 178.079 176.300 0.052 0.000 1.007 539 D CA 1.246 55.275 54.000 0.048 0.000 0.879 539 D CB -0.049 40.769 40.800 0.030 0.000 0.918 539 D HN 0.374 nan 8.370 nan 0.000 0.449 540 L N 1.496 122.754 121.223 0.057 0.000 2.089 540 L HA -0.209 4.119 4.340 -0.020 0.000 0.213 540 L C 1.969 178.949 176.870 0.184 0.000 1.079 540 L CA 1.361 56.240 54.840 0.065 0.000 0.758 540 L CB -0.580 41.554 42.059 0.125 0.000 0.891 540 L HN 0.056 nan 8.230 nan 0.000 0.433 541 N N -0.741 118.074 118.700 0.192 0.000 2.309 541 N HA -0.161 4.566 4.740 -0.020 0.000 0.182 541 N C 1.355 176.960 175.510 0.158 0.000 1.018 541 N CA 1.115 54.287 53.050 0.203 0.000 0.876 541 N CB -0.221 38.365 38.487 0.165 0.000 0.972 541 N HN 0.382 nan 8.380 nan 0.000 0.434 542 D N 0.520 120.982 120.400 0.103 0.000 2.224 542 D HA 0.035 4.663 4.640 -0.020 0.000 0.205 542 D C 2.068 178.396 176.300 0.046 0.000 0.965 542 D CA 0.287 54.328 54.000 0.068 0.000 0.852 542 D CB 0.145 40.972 40.800 0.046 0.000 0.947 542 D HN 0.249 nan 8.370 nan 0.000 0.494 543 L N -0.845 120.387 121.223 0.016 0.000 2.095 543 L HA -0.095 4.233 4.340 -0.020 0.000 0.204 543 L C 2.194 179.036 176.870 -0.047 0.000 1.080 543 L CA 0.621 55.428 54.840 -0.056 0.000 0.759 543 L CB -0.544 41.420 42.059 -0.158 0.000 0.914 543 L HN -0.029 nan 8.230 nan 0.000 0.439 544 Y N 0.568 120.851 120.300 -0.029 0.000 2.128 544 Y HA -0.237 4.301 4.550 -0.021 0.000 0.284 544 Y C 2.927 178.814 175.900 -0.022 0.000 1.154 544 Y CA 1.391 59.469 58.100 -0.036 0.000 1.149 544 Y CB -0.361 38.062 38.460 -0.063 0.000 0.976 544 Y HN -0.000 nan 8.280 nan 0.000 0.505 545 R N -0.018 120.579 120.500 0.162 0.000 2.080 545 R HA -0.202 4.126 4.340 -0.020 0.000 0.236 545 R C 2.384 178.721 176.300 0.061 0.000 1.137 545 R CA 1.623 57.778 56.100 0.093 0.000 0.943 545 R CB -0.207 30.136 30.300 0.072 0.000 0.846 545 R HN 0.334 nan 8.270 nan 0.000 0.431 546 R N 0.493 121.018 120.500 0.043 0.000 2.143 546 R HA -0.235 4.093 4.340 -0.020 0.000 0.239 546 R C 2.395 178.705 176.300 0.017 0.000 1.126 546 R CA 1.696 57.808 56.100 0.020 0.000 0.927 546 R CB -1.092 29.209 30.300 0.002 0.000 0.860 546 R HN 0.192 nan 8.270 nan 0.000 0.433 547 L N 1.291 122.522 121.223 0.014 0.000 1.971 547 L HA -0.226 4.102 4.340 -0.020 0.000 0.215 547 L C 2.388 179.276 176.870 0.029 0.000 1.072 547 L CA 1.781 56.628 54.840 0.011 0.000 0.758 547 L CB -0.504 41.563 42.059 0.014 0.000 0.889 547 L HN 0.134 nan 8.230 nan 0.000 0.433 548 I N -0.342 120.261 120.570 0.056 0.000 2.118 548 I HA -0.348 3.809 4.170 -0.020 0.000 0.241 548 I C 2.311 178.445 176.117 0.028 0.000 1.070 548 I CA 1.976 63.303 61.300 0.046 0.000 1.327 548 I CB -1.842 36.191 38.000 0.055 0.000 1.034 548 I HN 0.439 nan 8.210 nan 0.000 0.405 549 N N 0.377 119.093 118.700 0.027 0.000 2.043 549 N HA -0.179 4.548 4.740 -0.020 0.000 0.193 549 N C 1.939 177.455 175.510 0.011 0.000 1.037 549 N CA 1.159 54.220 53.050 0.018 0.000 0.851 549 N CB 0.020 38.519 38.487 0.019 0.000 1.027 549 N HN 0.250 nan 8.380 nan 0.000 0.422 550 R N 0.822 121.327 120.500 0.007 0.000 2.081 550 R HA -0.087 4.241 4.340 -0.020 0.000 0.235 550 R C 1.766 178.063 176.300 -0.005 0.000 1.131 550 R CA 0.961 57.060 56.100 -0.001 0.000 0.960 550 R CB -1.385 28.911 30.300 -0.007 0.000 0.856 550 R HN 0.349 nan 8.270 nan 0.000 0.436 551 N N 1.234 119.933 118.700 -0.002 0.000 2.104 551 N HA -0.150 4.578 4.740 -0.020 0.000 0.190 551 N C 1.295 176.805 175.510 -0.001 0.000 1.024 551 N CA 1.518 54.567 53.050 -0.003 0.000 0.853 551 N CB -0.262 38.228 38.487 0.005 0.000 1.008 551 N HN 0.148 nan 8.380 nan 0.000 0.424 552 N N 0.385 119.087 118.700 0.003 0.000 2.062 552 N HA -0.084 4.644 4.740 -0.020 0.000 0.191 552 N C 1.612 177.122 175.510 0.000 0.000 1.042 552 N CA 0.821 53.872 53.050 0.003 0.000 0.845 552 N CB -0.417 38.073 38.487 0.006 0.000 1.024 552 N HN 0.235 nan 8.380 nan 0.000 0.424 553 R N 0.446 120.946 120.500 0.001 0.000 2.154 553 R HA -0.143 4.185 4.340 -0.020 0.000 0.248 553 R C 1.841 178.139 176.300 -0.004 0.000 1.155 553 R CA 0.855 56.955 56.100 -0.001 0.000 0.979 553 R CB -0.345 29.954 30.300 -0.000 0.000 0.869 553 R HN 0.205 nan 8.270 nan 0.000 0.452 554 L N 1.431 122.650 121.223 -0.007 0.000 1.961 554 L HA -0.217 4.111 4.340 -0.020 0.000 0.210 554 L C 1.816 178.680 176.870 -0.009 0.000 1.072 554 L CA 2.037 56.870 54.840 -0.011 0.000 0.749 554 L CB -0.905 41.144 42.059 -0.016 0.000 0.889 554 L HN 0.179 nan 8.230 nan 0.000 0.432 555 K N -0.033 120.363 120.400 -0.007 0.000 2.034 555 K HA -0.260 4.047 4.320 -0.020 0.000 0.214 555 K C 1.975 178.572 176.600 -0.004 0.000 1.051 555 K CA 2.077 58.361 56.287 -0.005 0.000 0.931 555 K CB -0.302 32.196 32.500 -0.003 0.000 0.715 555 K HN 0.300 nan 8.250 nan 0.000 0.446 556 K N 0.817 121.215 120.400 -0.003 0.000 2.209 556 K HA -0.078 4.229 4.320 -0.020 0.000 0.204 556 K C 2.023 178.622 176.600 -0.003 0.000 1.048 556 K CA 0.955 57.241 56.287 -0.002 0.000 0.940 556 K CB -0.070 32.429 32.500 -0.001 0.000 0.729 556 K HN 0.104 nan 8.250 nan 0.000 0.451 557 L N 0.431 121.651 121.223 -0.004 0.000 2.240 557 L HA -0.079 4.249 4.340 -0.020 0.000 0.211 557 L C 1.919 178.786 176.870 -0.006 0.000 1.106 557 L CA 0.598 55.435 54.840 -0.005 0.000 0.793 557 L CB -0.096 41.959 42.059 -0.007 0.000 0.927 557 L HN 0.161 nan 8.230 nan 0.000 0.446 558 L N -0.942 120.277 121.223 -0.006 0.000 2.095 558 L HA -0.058 4.270 4.340 -0.020 0.000 0.204 558 L C 2.786 179.653 176.870 -0.004 0.000 1.080 558 L CA 0.983 55.820 54.840 -0.006 0.000 0.759 558 L CB -0.655 41.400 42.059 -0.007 0.000 0.914 558 L HN 0.177 nan 8.230 nan 0.000 0.439 559 A N -0.398 122.420 122.820 -0.004 0.000 1.897 559 A HA -0.232 4.076 4.320 -0.020 0.000 0.215 559 A C 2.244 179.827 177.584 -0.002 0.000 1.181 559 A CA 1.397 53.432 52.037 -0.003 0.000 0.620 559 A CB -0.528 18.470 19.000 -0.003 0.000 0.821 559 A HN 0.425 nan 8.150 nan 0.000 0.443 560 Q N -0.946 118.853 119.800 -0.002 0.000 2.152 560 Q HA 0.120 4.448 4.340 -0.020 0.000 0.206 560 Q C 0.733 176.732 176.000 -0.002 0.000 0.985 560 Q CA 1.213 57.014 55.803 -0.002 0.000 0.863 560 Q CB -0.143 28.593 28.738 -0.002 0.000 0.904 560 Q HN 0.798 nan 8.270 nan 0.000 0.422 561 G N -1.779 107.020 108.800 -0.002 0.000 2.345 561 G HA2 0.394 4.341 3.960 -0.020 0.000 0.310 561 G HA3 0.394 4.341 3.960 -0.020 0.000 0.310 561 G C -1.886 173.013 174.900 -0.002 0.000 1.476 561 G CA -0.449 44.650 45.100 -0.002 0.000 0.978 561 G HN 0.378 nan 8.290 nan 0.000 0.656 562 A N 1.055 123.874 122.820 -0.002 0.000 2.605 562 A HA 0.805 5.113 4.320 -0.020 0.000 0.293 562 A C -2.723 174.860 177.584 -0.002 0.000 1.216 562 A CA -1.236 50.799 52.037 -0.003 0.000 0.742 562 A CB 1.233 20.232 19.000 -0.003 0.000 1.170 562 A HN 0.452 nan 8.150 nan 0.000 0.443 563 P HA 0.218 nan 4.420 nan 0.000 0.276 563 P C 0.639 177.937 177.300 -0.003 0.000 1.264 563 P CA 0.025 63.122 63.100 -0.004 0.000 0.769 563 P CB 0.941 32.637 31.700 -0.006 0.000 0.840 564 E N 2.142 122.342 120.200 0.000 0.000 2.338 564 E HA -0.110 4.228 4.350 -0.020 0.000 0.197 564 E C 1.455 178.055 176.600 0.001 0.000 1.007 564 E CA 0.678 57.080 56.400 0.004 0.000 0.849 564 E CB -0.073 29.636 29.700 0.015 0.000 0.774 564 E HN 0.526 nan 8.360 nan 0.000 0.506 565 I N 0.119 120.689 120.570 -0.000 0.000 2.286 565 I HA -0.275 3.883 4.170 -0.020 0.000 0.248 565 I C 2.258 178.372 176.117 -0.005 0.000 1.115 565 I CA 1.107 62.406 61.300 -0.002 0.000 1.392 565 I CB -0.521 37.479 38.000 -0.001 0.000 1.065 565 I HN 0.065 nan 8.210 nan 0.000 0.418 566 I N 0.847 121.413 120.570 -0.005 0.000 2.394 566 I HA -0.210 3.948 4.170 -0.020 0.000 0.251 566 I C 2.407 178.518 176.117 -0.010 0.000 1.136 566 I CA 1.365 62.661 61.300 -0.006 0.000 1.425 566 I CB -0.233 37.764 38.000 -0.005 0.000 1.079 566 I HN 0.149 nan 8.210 nan 0.000 0.425 567 I N 0.538 121.101 120.570 -0.012 0.000 2.353 567 I HA -0.190 3.967 4.170 -0.020 0.000 0.248 567 I C 2.579 178.680 176.117 -0.027 0.000 1.119 567 I CA 1.168 62.457 61.300 -0.017 0.000 1.417 567 I CB -0.510 37.481 38.000 -0.016 0.000 1.078 567 I HN 0.081 nan 8.210 nan 0.000 0.421 568 R N 1.106 121.589 120.500 -0.028 0.000 2.090 568 R HA -0.111 4.216 4.340 -0.020 0.000 0.228 568 R C 1.949 178.226 176.300 -0.039 0.000 1.110 568 R CA 1.583 57.657 56.100 -0.043 0.000 0.973 568 R CB -1.003 29.269 30.300 -0.047 0.000 0.869 568 R HN 0.382 nan 8.270 nan 0.000 0.440 569 N N -0.210 118.476 118.700 -0.023 0.000 2.091 569 N HA -0.243 4.485 4.740 -0.020 0.000 0.193 569 N C 1.550 177.050 175.510 -0.016 0.000 1.021 569 N CA 1.871 54.913 53.050 -0.013 0.000 0.862 569 N CB -0.098 38.386 38.487 -0.005 0.000 1.018 569 N HN 0.390 nan 8.380 nan 0.000 0.429 570 E N 0.531 120.719 120.200 -0.021 0.000 2.076 570 E HA -0.034 4.304 4.350 -0.020 0.000 0.190 570 E C 1.523 178.098 176.600 -0.042 0.000 0.979 570 E CA 0.934 57.320 56.400 -0.024 0.000 0.807 570 E CB 0.119 29.807 29.700 -0.020 0.000 0.761 570 E HN 0.197 nan 8.360 nan 0.000 0.454 571 K N 0.195 120.562 120.400 -0.055 0.000 2.218 571 K HA -0.183 4.125 4.320 -0.020 0.000 0.205 571 K C 2.201 178.730 176.600 -0.118 0.000 1.046 571 K CA 1.377 57.613 56.287 -0.086 0.000 0.933 571 K CB -0.083 32.362 32.500 -0.092 0.000 0.728 571 K HN 0.125 nan 8.250 nan 0.000 0.454 572 R N 0.182 120.627 120.500 -0.092 0.000 2.061 572 R HA -0.043 4.285 4.340 -0.020 0.000 0.230 572 R C 2.339 178.604 176.300 -0.058 0.000 1.140 572 R CA 1.444 57.490 56.100 -0.089 0.000 0.940 572 R CB -0.334 29.956 30.300 -0.017 0.000 0.839 572 R HN 0.047 nan 8.270 nan 0.000 0.429 573 M N 0.614 120.201 119.600 -0.022 0.000 2.089 573 M HA -0.206 4.262 4.480 -0.020 0.000 0.257 573 M C 2.152 178.436 176.300 -0.026 0.000 1.071 573 M CA 1.486 56.783 55.300 -0.004 0.000 1.096 573 M CB -0.484 32.114 32.600 -0.002 0.000 1.330 573 M HN 0.110 nan 8.290 nan 0.000 0.403 574 L N -0.040 121.152 121.223 -0.051 0.000 1.989 574 L HA -0.263 4.065 4.340 -0.020 0.000 0.211 574 L C 2.391 179.204 176.870 -0.096 0.000 1.071 574 L CA 2.210 57.011 54.840 -0.065 0.000 0.749 574 L CB -1.088 40.927 42.059 -0.072 0.000 0.890 574 L HN 0.414 nan 8.230 nan 0.000 0.431 575 Q N -0.016 119.689 119.800 -0.160 0.000 2.045 575 Q HA -0.296 4.032 4.340 -0.020 0.000 0.206 575 Q C 2.245 178.167 176.000 -0.131 0.000 0.991 575 Q CA 2.495 58.146 55.803 -0.254 0.000 0.851 575 Q CB -0.506 27.914 28.738 -0.531 0.000 0.911 575 Q HN 0.683 nan 8.270 nan 0.000 0.418 576 E N -0.714 119.477 120.200 -0.016 0.000 2.070 576 E HA -0.283 4.055 4.350 -0.020 0.000 0.197 576 E C 1.806 178.432 176.600 0.043 0.000 1.004 576 E CA 1.412 57.889 56.400 0.128 0.000 0.805 576 E CB -0.402 29.382 29.700 0.140 0.000 0.744 576 E HN 0.466 nan 8.360 nan 0.000 0.451 577 A N 0.771 123.588 122.820 -0.005 0.000 1.908 577 A HA -0.157 4.151 4.320 -0.020 0.000 0.218 577 A C 2.458 180.001 177.584 -0.069 0.000 1.181 577 A CA 1.750 53.767 52.037 -0.033 0.000 0.627 577 A CB -0.815 18.165 19.000 -0.033 0.000 0.818 577 A HN 0.252 nan 8.150 nan 0.000 0.445 578 V N 0.815 120.681 119.914 -0.080 0.000 2.568 578 V HA -0.264 3.844 4.120 -0.020 0.000 0.253 578 V C 2.002 178.016 176.094 -0.133 0.000 1.072 578 V CA 2.128 64.360 62.300 -0.113 0.000 1.084 578 V CB -0.905 30.847 31.823 -0.118 0.000 0.676 578 V HN 0.515 nan 8.190 nan 0.000 0.469 579 D N 0.801 121.161 120.400 -0.066 0.000 2.085 579 D HA -0.093 4.535 4.640 -0.020 0.000 0.199 579 D C 2.350 178.603 176.300 -0.079 0.000 0.981 579 D CA 1.642 55.620 54.000 -0.037 0.000 0.834 579 D CB -0.545 40.318 40.800 0.106 0.000 0.992 579 D HN 0.397 nan 8.370 nan 0.000 0.457 580 A N 1.776 124.565 122.820 -0.052 0.000 1.893 580 A HA -0.276 4.032 4.320 -0.020 0.000 0.222 580 A C 2.395 179.897 177.584 -0.136 0.000 1.309 580 A CA 2.906 54.901 52.037 -0.069 0.000 0.681 580 A CB -1.332 17.632 19.000 -0.060 0.000 0.842 580 A HN 0.380 nan 8.150 nan 0.000 0.468 581 L N -1.188 119.906 121.223 -0.215 0.000 2.042 581 L HA -0.121 4.206 4.340 -0.020 0.000 0.210 581 L C 2.292 178.997 176.870 -0.274 0.000 1.076 581 L CA 2.092 56.739 54.840 -0.321 0.000 0.749 581 L CB -0.730 41.007 42.059 -0.537 0.000 0.893 581 L HN 0.394 nan 8.230 nan 0.000 0.432 582 L N -0.486 120.567 121.223 -0.284 0.000 1.937 582 L HA -0.065 4.262 4.340 -0.020 0.000 0.213 582 L C 0.822 177.554 176.870 -0.231 0.000 1.077 582 L CA 1.708 56.339 54.840 -0.349 0.000 0.758 582 L CB -0.498 41.251 42.059 -0.516 0.000 0.888 582 L HN 0.457 nan 8.230 nan 0.000 0.433 583 D N -0.910 119.413 120.400 -0.130 0.000 2.855 583 D HA 0.163 4.790 4.640 -0.020 0.000 0.241 583 D C -1.361 174.957 176.300 0.029 0.000 1.277 583 D CA -0.443 53.567 54.000 0.017 0.000 0.918 583 D CB 1.305 42.215 40.800 0.183 0.000 1.462 583 D HN -0.106 nan 8.370 nan 0.000 0.559 584 N N 0.994 119.709 118.700 0.026 0.000 2.509 584 N HA 0.540 5.268 4.740 -0.020 0.000 0.287 584 N C 1.114 176.650 175.510 0.043 0.000 1.121 584 N CA 1.292 54.356 53.050 0.024 0.000 0.977 584 N CB 1.321 39.813 38.487 0.009 0.000 1.167 584 N HN 0.683 nan 8.380 nan 0.000 0.476 585 G N 1.789 110.611 108.800 0.038 0.000 2.241 585 G HA2 -0.287 3.661 3.960 -0.020 0.000 0.244 585 G HA3 -0.287 3.661 3.960 -0.020 0.000 0.244 585 G C 1.146 176.068 174.900 0.037 0.000 0.998 585 G CA 0.154 45.275 45.100 0.035 0.000 0.621 585 G HN 0.582 nan 8.290 nan 0.000 0.519 586 R N 0.076 120.608 120.500 0.054 0.000 2.237 586 R HA 0.058 4.386 4.340 -0.020 0.000 0.219 586 R C 1.225 177.530 176.300 0.008 0.000 1.080 586 R CA 1.076 57.206 56.100 0.049 0.000 0.995 586 R CB 0.100 30.455 30.300 0.092 0.000 0.875 586 R HN 0.414 nan 8.270 nan 0.000 0.462 587 R N -0.154 120.343 120.500 -0.005 0.000 2.518 587 R HA 0.203 4.530 4.340 -0.020 0.000 0.287 587 R C -1.161 175.125 176.300 -0.024 0.000 1.135 587 R CA 0.200 56.265 56.100 -0.058 0.000 0.967 587 R CB 1.543 31.747 30.300 -0.161 0.000 1.212 587 R HN 0.246 nan 8.270 nan 0.000 0.422 588 G N 2.039 110.827 108.800 -0.020 0.000 3.149 588 G HA2 -0.076 3.872 3.960 -0.020 0.000 0.685 588 G HA3 -0.076 3.872 3.960 -0.020 0.000 0.685 588 G C -0.766 174.142 174.900 0.014 0.000 1.589 588 G CA -0.091 45.010 45.100 0.002 0.000 1.187 588 G HN 0.821 nan 8.290 nan 0.000 0.604 589 A N 3.947 126.777 122.820 0.015 0.000 2.291 589 A HA 0.826 5.134 4.320 -0.020 0.000 0.311 589 A C -1.882 175.713 177.584 0.017 0.000 1.224 589 A CA -1.364 50.684 52.037 0.018 0.000 0.821 589 A CB 1.508 20.519 19.000 0.018 0.000 1.172 589 A HN 0.626 nan 8.150 nan 0.000 0.494 590 P HA 0.408 nan 4.420 nan 0.000 0.276 590 P C -0.914 176.394 177.300 0.013 0.000 1.230 590 P CA -0.029 63.079 63.100 0.013 0.000 0.776 590 P CB 1.205 32.908 31.700 0.006 0.000 0.888 591 V N 1.409 121.331 119.914 0.014 0.000 2.525 591 V HA 0.228 4.335 4.120 -0.020 0.000 0.299 591 V C 1.054 177.157 176.094 0.015 0.000 1.034 591 V CA -0.587 61.722 62.300 0.015 0.000 0.863 591 V CB 1.102 32.934 31.823 0.015 0.000 0.999 591 V HN 0.473 nan 8.190 nan 0.000 0.423 592 T N 2.821 117.385 114.554 0.016 0.000 2.502 592 T HA -0.088 4.250 4.350 -0.020 0.000 0.258 592 T C 0.663 175.373 174.700 0.015 0.000 1.146 592 T CA 1.838 63.949 62.100 0.017 0.000 1.208 592 T CB -0.199 68.681 68.868 0.021 0.000 0.864 592 T HN 0.708 nan 8.240 nan 0.000 0.402 593 N N -0.013 118.695 118.700 0.015 0.000 2.504 593 N HA 0.362 5.090 4.740 -0.020 0.000 0.268 593 N C -3.062 172.456 175.510 0.012 0.000 1.184 593 N CA -1.329 51.728 53.050 0.013 0.000 0.875 593 N CB 1.256 39.749 38.487 0.011 0.000 1.630 593 N HN -0.048 nan 8.380 nan 0.000 0.486 594 P HA 0.010 nan 4.420 nan 0.000 0.261 594 P C 0.646 177.953 177.300 0.011 0.000 1.133 594 P CA 1.382 64.488 63.100 0.011 0.000 0.756 594 P CB 0.181 31.887 31.700 0.009 0.000 0.726 595 G N 1.200 110.007 108.800 0.012 0.000 3.514 595 G HA2 -0.083 3.864 3.960 -0.020 0.000 0.197 595 G HA3 -0.083 3.864 3.960 -0.020 0.000 0.197 595 G C -0.235 174.674 174.900 0.014 0.000 1.098 595 G CA 0.150 45.257 45.100 0.012 0.000 0.884 595 G HN 0.859 nan 8.290 nan 0.000 0.433 596 S N 1.094 116.804 115.700 0.016 0.000 2.496 596 S HA 0.509 4.967 4.470 -0.020 0.000 0.221 596 S C -1.355 173.255 174.600 0.017 0.000 1.260 596 S CA -0.589 57.621 58.200 0.017 0.000 1.181 596 S CB 1.559 64.771 63.200 0.019 0.000 1.136 596 S HN 0.093 nan 8.310 nan 0.000 0.467 597 D N 2.837 123.247 120.400 0.017 0.000 2.767 597 D HA 0.094 4.722 4.640 -0.020 0.000 0.231 597 D C 0.092 176.404 176.300 0.019 0.000 1.105 597 D CA 0.219 54.229 54.000 0.017 0.000 1.024 597 D CB 0.150 40.959 40.800 0.015 0.000 1.123 597 D HN 0.467 nan 8.370 nan 0.000 0.470 598 R N 1.869 122.381 120.500 0.020 0.000 2.409 598 R HA 0.310 4.638 4.340 -0.020 0.000 0.313 598 R C -2.836 173.477 176.300 0.022 0.000 0.953 598 R CA -1.834 54.280 56.100 0.023 0.000 0.849 598 R CB 1.647 31.961 30.300 0.024 0.000 1.171 598 R HN -0.143 nan 8.270 nan 0.000 0.458 599 P HA -0.044 nan 4.420 nan 0.000 0.260 599 P C -0.451 176.860 177.300 0.019 0.000 1.185 599 P CA 0.294 63.407 63.100 0.021 0.000 0.763 599 P CB 0.381 32.096 31.700 0.025 0.000 0.776 600 L N 3.536 124.767 121.223 0.014 0.000 2.601 600 L HA 0.035 4.363 4.340 -0.020 0.000 0.277 600 L C 1.524 178.398 176.870 0.007 0.000 1.219 600 L CA 0.111 54.958 54.840 0.011 0.000 0.915 600 L CB -0.168 41.894 42.059 0.004 0.000 1.160 600 L HN 0.412 nan 8.230 nan 0.000 0.494 601 R N 1.928 122.434 120.500 0.010 0.000 2.861 601 R HA 0.189 4.516 4.340 -0.020 0.000 0.268 601 R C -0.008 176.287 176.300 -0.008 0.000 1.027 601 R CA 0.381 56.486 56.100 0.008 0.000 1.163 601 R CB 0.633 30.940 30.300 0.012 0.000 1.060 601 R HN 0.888 nan 8.270 nan 0.000 0.483 602 S N 1.424 117.118 115.700 -0.010 0.000 2.537 602 S HA 0.216 4.674 4.470 -0.020 0.000 0.270 602 S C 1.094 175.675 174.600 -0.033 0.000 1.142 602 S CA -1.052 57.124 58.200 -0.040 0.000 0.870 602 S CB 1.165 64.339 63.200 -0.044 0.000 1.112 602 S HN 0.602 nan 8.310 nan 0.000 0.466 603 L N 1.240 122.421 121.223 -0.071 0.000 2.056 603 L HA -0.286 4.041 4.340 -0.020 0.000 0.237 603 L C 2.828 179.686 176.870 -0.020 0.000 1.106 603 L CA 2.453 57.253 54.840 -0.067 0.000 0.829 603 L CB -1.976 40.001 42.059 -0.137 0.000 0.924 603 L HN 0.875 nan 8.230 nan 0.000 0.447 604 T N -0.404 114.136 114.554 -0.023 0.000 2.592 604 T HA -0.270 4.067 4.350 -0.020 0.000 0.267 604 T C 1.506 176.317 174.700 0.186 0.000 1.060 604 T CA 2.032 64.223 62.100 0.151 0.000 1.167 604 T CB -0.528 68.504 68.868 0.274 0.000 0.863 604 T HN 0.670 nan 8.240 nan 0.000 0.431 605 D N 0.803 121.272 120.400 0.113 0.000 2.347 605 D HA -0.022 4.606 4.640 -0.020 0.000 0.215 605 D C 1.947 178.280 176.300 0.055 0.000 0.976 605 D CA 0.434 54.488 54.000 0.090 0.000 0.884 605 D CB -0.483 40.359 40.800 0.070 0.000 0.915 605 D HN 0.457 nan 8.370 nan 0.000 0.526 606 I N -0.073 120.521 120.570 0.040 0.000 2.286 606 I HA -0.176 3.981 4.170 -0.020 0.000 0.245 606 I C 2.459 178.591 176.117 0.025 0.000 1.104 606 I CA 0.423 61.735 61.300 0.019 0.000 1.397 606 I CB -0.198 37.807 38.000 0.009 0.000 1.072 606 I HN 0.024 nan 8.210 nan 0.000 0.417 607 L N 0.098 121.354 121.223 0.054 0.000 2.017 607 L HA -0.192 4.135 4.340 -0.020 0.000 0.208 607 L C 2.657 179.567 176.870 0.067 0.000 1.073 607 L CA 1.793 56.676 54.840 0.071 0.000 0.745 607 L CB -0.529 41.608 42.059 0.130 0.000 0.894 607 L HN 0.108 nan 8.230 nan 0.000 0.432 608 S N -0.502 115.252 115.700 0.089 0.000 2.354 608 S HA -0.185 4.273 4.470 -0.020 0.000 0.219 608 S C 2.036 176.645 174.600 0.015 0.000 1.035 608 S CA 1.453 59.691 58.200 0.063 0.000 1.037 608 S CB -1.103 62.145 63.200 0.081 0.000 0.956 608 S HN 0.694 nan 8.310 nan 0.000 0.428 609 G N 1.600 110.399 108.800 -0.000 0.000 2.550 609 G HA2 -0.296 3.652 3.960 -0.020 0.000 0.222 609 G HA3 -0.296 3.652 3.960 -0.020 0.000 0.222 609 G C 1.367 176.216 174.900 -0.085 0.000 1.113 609 G CA 1.223 46.287 45.100 -0.060 0.000 0.748 609 G HN 0.504 nan 8.290 nan 0.000 0.585 610 K N -0.252 120.121 120.400 -0.046 0.000 1.987 610 K HA -0.002 4.306 4.320 -0.020 0.000 0.222 610 K C 0.967 177.533 176.600 -0.055 0.000 1.029 610 K CA 0.981 57.237 56.287 -0.051 0.000 1.011 610 K CB -0.136 32.348 32.500 -0.028 0.000 0.769 610 K HN 0.223 nan 8.250 nan 0.000 0.444 611 Q N 0.147 119.923 119.800 -0.041 0.000 2.466 611 Q HA 0.317 4.644 4.340 -0.020 0.000 0.242 611 Q C -0.737 175.247 176.000 -0.027 0.000 1.046 611 Q CA -0.628 55.146 55.803 -0.049 0.000 0.841 611 Q CB 1.745 30.435 28.738 -0.079 0.000 1.193 611 Q HN 0.393 nan 8.270 nan 0.000 0.508 612 G N 1.480 110.274 108.800 -0.010 0.000 2.672 612 G HA2 0.433 4.381 3.960 -0.020 0.000 0.292 612 G HA3 0.433 4.381 3.960 -0.020 0.000 0.292 612 G C -0.938 173.997 174.900 0.058 0.000 1.375 612 G CA -0.872 44.243 45.100 0.024 0.000 0.890 612 G HN 0.409 nan 8.290 nan 0.000 0.476 613 R N 0.104 120.650 120.500 0.077 0.000 2.242 613 R HA 0.489 4.817 4.340 -0.020 0.000 0.334 613 R C -1.289 175.119 176.300 0.179 0.000 1.071 613 R CA 0.026 56.179 56.100 0.088 0.000 0.922 613 R CB 0.471 30.787 30.300 0.026 0.000 1.023 613 R HN 0.402 nan 8.270 nan 0.000 0.458 614 F N 0.631 120.572 119.950 -0.015 0.000 2.858 614 F HA 0.264 4.778 4.527 -0.021 0.000 0.319 614 F C -0.432 175.367 175.800 -0.001 0.000 1.166 614 F CA -1.140 56.858 58.000 -0.003 0.000 0.899 614 F CB 1.024 40.027 39.000 0.004 0.000 1.332 614 F HN 0.298 nan 8.300 nan 0.000 0.461 615 R N 1.113 121.783 120.500 0.284 0.000 2.980 615 R HA 0.114 4.441 4.340 -0.020 0.000 0.285 615 R C -0.581 175.887 176.300 0.279 0.000 1.072 615 R CA -0.411 55.822 56.100 0.221 0.000 1.203 615 R CB -0.157 30.238 30.300 0.159 0.000 1.163 615 R HN 0.590 nan 8.270 nan 0.000 0.545 616 Q N 2.374 122.265 119.800 0.153 0.000 2.457 616 Q HA -0.121 4.207 4.340 -0.020 0.000 0.285 616 Q C 0.881 176.901 176.000 0.034 0.000 1.275 616 Q CA -0.112 55.738 55.803 0.078 0.000 0.992 616 Q CB -0.038 28.725 28.738 0.040 0.000 1.334 616 Q HN 0.501 nan 8.270 nan 0.000 0.460 617 N N 2.531 121.167 118.700 -0.107 0.000 2.011 617 N HA -0.214 4.513 4.740 -0.020 0.000 0.199 617 N C 0.332 175.485 175.510 -0.595 0.000 1.047 617 N CA 1.620 54.153 53.050 -0.861 0.000 0.863 617 N CB -0.031 37.977 38.487 -0.797 0.000 1.056 617 N HN 0.419 nan 8.380 nan 0.000 0.427 618 L N -0.637 120.397 121.223 -0.315 0.000 3.088 618 L HA 0.404 4.732 4.340 -0.020 0.000 0.337 618 L C -0.845 175.960 176.870 -0.108 0.000 1.293 618 L CA 0.141 54.867 54.840 -0.189 0.000 0.784 618 L CB 0.779 42.727 42.059 -0.184 0.000 1.215 618 L HN 0.075 nan 8.230 nan 0.000 0.581 619 L N 1.270 122.445 121.223 -0.081 0.000 2.294 619 L HA 0.909 5.237 4.340 -0.020 0.000 0.283 619 L C -0.023 176.833 176.870 -0.024 0.000 1.015 619 L CA -0.303 54.508 54.840 -0.048 0.000 0.831 619 L CB 1.478 43.514 42.059 -0.037 0.000 1.217 619 L HN 0.389 nan 8.230 nan 0.000 0.420 620 G N 3.843 112.631 108.800 -0.021 0.000 2.326 620 G HA2 -0.008 3.940 3.960 -0.020 0.000 0.299 620 G HA3 -0.008 3.940 3.960 -0.020 0.000 0.299 620 G C -1.636 173.264 174.900 0.000 0.000 1.643 620 G CA -0.930 44.167 45.100 -0.005 0.000 0.916 620 G HN 0.439 nan 8.290 nan 0.000 0.700 621 K N 0.832 121.236 120.400 0.008 0.000 2.095 621 K HA 0.611 4.919 4.320 -0.020 0.000 0.252 621 K C 0.296 176.917 176.600 0.035 0.000 0.977 621 K CA -0.770 55.526 56.287 0.015 0.000 0.900 621 K CB 1.421 33.929 32.500 0.013 0.000 1.060 621 K HN 0.425 nan 8.250 nan 0.000 0.449 622 R N 1.431 121.952 120.500 0.037 0.000 2.295 622 R HA 0.284 4.611 4.340 -0.020 0.000 0.324 622 R C -0.648 175.690 176.300 0.064 0.000 0.968 622 R CA -0.690 55.440 56.100 0.050 0.000 0.837 622 R CB 1.406 31.724 30.300 0.030 0.000 1.133 622 R HN 0.272 nan 8.270 nan 0.000 0.450 623 V N 2.780 122.755 119.914 0.100 0.000 2.732 623 V HA -0.046 4.061 4.120 -0.020 0.000 0.297 623 V C 1.015 177.167 176.094 0.097 0.000 1.060 623 V CA 0.223 62.601 62.300 0.130 0.000 1.038 623 V CB 1.419 33.386 31.823 0.240 0.000 1.003 623 V HN 0.734 nan 8.190 nan 0.000 0.481 624 D N 1.549 122.035 120.400 0.143 0.000 2.194 624 D HA -0.055 4.573 4.640 -0.020 0.000 0.204 624 D C 0.051 176.372 176.300 0.036 0.000 0.964 624 D CA 1.358 55.414 54.000 0.094 0.000 0.846 624 D CB 0.086 40.998 40.800 0.188 0.000 0.962 624 D HN 0.589 nan 8.370 nan 0.000 0.490 625 Y N 0.296 120.592 120.300 -0.007 0.000 2.960 625 Y HA 0.364 4.902 4.550 -0.021 0.000 0.343 625 Y C 0.387 176.244 175.900 -0.072 0.000 1.106 625 Y CA -0.938 57.146 58.100 -0.028 0.000 1.221 625 Y CB 0.377 38.821 38.460 -0.026 0.000 1.232 625 Y HN -0.202 nan 8.280 nan 0.000 0.577 626 S N 0.010 115.693 115.700 -0.028 0.000 2.851 626 S HA 1.025 5.483 4.470 -0.020 0.000 0.317 626 S C -0.110 174.417 174.600 -0.122 0.000 1.144 626 S CA -0.566 57.512 58.200 -0.204 0.000 0.862 626 S CB 2.440 65.442 63.200 -0.330 0.000 1.259 626 S HN 0.844 nan 8.310 nan 0.000 0.564 627 G N -0.142 108.568 108.800 -0.149 0.000 2.376 627 G HA2 0.516 4.464 3.960 -0.020 0.000 0.302 627 G HA3 0.516 4.464 3.960 -0.020 0.000 0.302 627 G C -1.672 173.198 174.900 -0.050 0.000 1.586 627 G CA -0.705 44.356 45.100 -0.065 0.000 0.907 627 G HN 1.063 nan 8.290 nan 0.000 0.655 628 R N -0.593 119.892 120.500 -0.026 0.000 2.626 628 R HA 0.874 5.202 4.340 -0.020 0.000 0.274 628 R C -1.186 175.108 176.300 -0.011 0.000 1.031 628 R CA -0.510 55.582 56.100 -0.013 0.000 0.898 628 R CB 1.850 32.146 30.300 -0.006 0.000 1.222 628 R HN 1.013 nan 8.270 nan 0.000 0.455 629 S N 1.287 116.980 115.700 -0.012 0.000 2.776 629 S HA 0.495 4.953 4.470 -0.020 0.000 0.292 629 S C -1.125 173.464 174.600 -0.017 0.000 1.187 629 S CA -0.639 57.551 58.200 -0.017 0.000 0.834 629 S CB 1.828 65.013 63.200 -0.025 0.000 1.199 629 S HN 0.403 nan 8.310 nan 0.000 0.514 630 V N 3.214 123.115 119.914 -0.021 0.000 2.614 630 V HA 0.325 4.432 4.120 -0.020 0.000 0.291 630 V C 0.473 176.547 176.094 -0.034 0.000 1.049 630 V CA -0.172 62.118 62.300 -0.016 0.000 1.038 630 V CB 0.347 32.160 31.823 -0.016 0.000 0.980 630 V HN 0.666 nan 8.190 nan 0.000 0.481 631 I N 2.982 123.546 120.570 -0.010 0.000 2.577 631 I HA 0.822 4.979 4.170 -0.020 0.000 0.300 631 I C -0.702 175.333 176.117 -0.137 0.000 0.990 631 I CA -0.433 60.842 61.300 -0.042 0.000 1.283 631 I CB 1.756 39.785 38.000 0.048 0.000 1.411 631 I HN 0.300 nan 8.210 nan 0.000 0.515 632 V N 5.395 125.103 119.914 -0.344 0.000 2.817 632 V HA 0.143 4.251 4.120 -0.020 0.000 0.303 632 V C -0.143 175.456 176.094 -0.825 0.000 1.151 632 V CA -0.849 61.064 62.300 -0.645 0.000 0.929 632 V CB 1.897 33.501 31.823 -0.366 0.000 1.030 632 V HN 0.723 nan 8.190 nan 0.000 0.427 633 V N 4.591 123.673 119.914 -1.387 0.000 2.678 633 V HA 0.241 4.349 4.120 -0.020 0.000 0.304 633 V C 1.068 176.902 176.094 -0.433 0.000 1.086 633 V CA 1.660 63.458 62.300 -0.837 0.000 1.246 633 V CB 0.917 32.400 31.823 -0.567 0.000 0.861 633 V HN 1.177 nan 8.190 nan 0.000 0.491 634 G N 7.284 115.907 108.800 -0.296 0.000 4.829 634 G HA2 0.444 4.392 3.960 -0.020 0.000 0.320 634 G HA3 0.444 4.392 3.960 -0.020 0.000 0.320 634 G C -1.359 173.384 174.900 -0.262 0.000 1.445 634 G CA -0.515 44.433 45.100 -0.254 0.000 1.151 634 G HN 0.735 nan 8.290 nan 0.000 0.572 635 P HA -0.301 nan 4.420 nan 0.000 0.222 635 P C 1.953 179.140 177.300 -0.188 0.000 1.159 635 P CA 1.502 64.398 63.100 -0.341 0.000 0.920 635 P CB 0.285 31.706 31.700 -0.466 0.000 0.793 636 Q N -1.454 118.264 119.800 -0.138 0.000 2.172 636 Q HA -0.036 4.292 4.340 -0.020 0.000 0.200 636 Q C 1.052 177.013 176.000 -0.066 0.000 0.964 636 Q CA 0.259 56.025 55.803 -0.062 0.000 0.855 636 Q CB -0.921 27.780 28.738 -0.061 0.000 0.918 636 Q HN 0.230 nan 8.270 nan 0.000 0.444 637 L N 2.562 123.723 121.223 -0.104 0.000 2.605 637 L HA -0.118 4.210 4.340 -0.020 0.000 0.296 637 L C -0.044 176.854 176.870 0.048 0.000 1.255 637 L CA 0.981 55.788 54.840 -0.054 0.000 0.879 637 L CB 0.238 42.236 42.059 -0.102 0.000 1.124 637 L HN -0.040 nan 8.230 nan 0.000 0.507 638 K N 4.587 125.090 120.400 0.173 0.000 2.095 638 K HA 0.222 4.530 4.320 -0.020 0.000 0.252 638 K C 1.181 178.068 176.600 0.479 0.000 0.977 638 K CA -0.816 55.661 56.287 0.316 0.000 0.900 638 K CB 1.062 33.685 32.500 0.204 0.000 1.060 638 K HN 0.625 nan 8.250 nan 0.000 0.449 639 L N 1.142 122.564 121.223 0.332 0.000 2.034 639 L HA -0.336 3.992 4.340 -0.020 0.000 0.217 639 L C 2.323 179.367 176.870 0.290 0.000 1.077 639 L CA 1.657 56.516 54.840 0.031 0.000 0.769 639 L CB -0.463 41.576 42.059 -0.034 0.000 0.890 639 L HN 0.731 nan 8.230 nan 0.000 0.435 640 H N -0.338 118.828 119.070 0.161 0.000 2.289 640 H HA -0.178 4.366 4.556 -0.021 0.000 0.294 640 H C 1.262 176.745 175.328 0.258 0.000 1.095 640 H CA 1.882 58.024 56.048 0.158 0.000 1.256 640 H CB 0.006 29.818 29.762 0.084 0.000 1.359 640 H HN 0.471 nan 8.280 nan 0.000 0.487 641 Q N -1.541 118.387 119.800 0.213 0.000 2.547 641 Q HA 0.511 4.839 4.340 -0.020 0.000 0.181 641 Q C -0.642 175.328 176.000 -0.051 0.000 1.005 641 Q CA -0.409 55.453 55.803 0.100 0.000 1.005 641 Q CB 1.961 30.736 28.738 0.061 0.000 1.574 641 Q HN 0.476 nan 8.270 nan 0.000 0.499 642 C N -2.537 116.680 119.300 -0.139 0.000 3.279 642 C HA 0.718 5.166 4.460 -0.020 0.000 0.386 642 C C -0.113 174.777 174.990 -0.167 0.000 1.081 642 C CA -0.873 57.968 59.018 -0.295 0.000 1.192 642 C CB 0.368 27.763 27.740 -0.574 0.000 1.552 642 C HN 0.932 nan 8.230 nan 0.000 0.559 643 G N 2.217 110.915 108.800 -0.170 0.000 2.351 643 G HA2 0.539 4.487 3.960 -0.020 0.000 0.287 643 G HA3 0.539 4.487 3.960 -0.020 0.000 0.287 643 G C -0.962 173.862 174.900 -0.126 0.000 1.159 643 G CA -0.150 44.867 45.100 -0.139 0.000 0.929 643 G HN 1.392 nan 8.290 nan 0.000 0.435 644 L N 4.970 126.129 121.223 -0.108 0.000 2.322 644 L HA 0.610 4.938 4.340 -0.020 0.000 0.281 644 L C -2.414 174.390 176.870 -0.110 0.000 1.014 644 L CA -2.662 52.127 54.840 -0.086 0.000 0.815 644 L CB 2.162 44.192 42.059 -0.047 0.000 1.247 644 L HN 0.192 nan 8.230 nan 0.000 0.421 645 P HA 0.092 nan 4.420 nan 0.000 0.263 645 P C -0.236 176.973 177.300 -0.151 0.000 1.195 645 P CA -0.030 62.996 63.100 -0.124 0.000 0.762 645 P CB 0.373 32.021 31.700 -0.087 0.000 0.799 646 K N 4.301 124.546 120.400 -0.258 0.000 2.032 646 K HA -0.247 4.061 4.320 -0.020 0.000 0.209 646 K C 1.825 178.288 176.600 -0.230 0.000 1.048 646 K CA 1.135 57.202 56.287 -0.366 0.000 0.927 646 K CB -0.465 31.565 32.500 -0.784 0.000 0.712 646 K HN 0.046 nan 8.250 nan 0.000 0.441 647 R N 1.289 121.687 120.500 -0.171 0.000 2.154 647 R HA -0.067 4.261 4.340 -0.020 0.000 0.248 647 R C 2.108 178.440 176.300 0.053 0.000 1.155 647 R CA 1.810 57.922 56.100 0.019 0.000 0.979 647 R CB -0.461 29.854 30.300 0.024 0.000 0.869 647 R HN 0.528 nan 8.270 nan 0.000 0.452 648 M N -1.215 118.393 119.600 0.013 0.000 2.193 648 M HA 0.060 4.527 4.480 -0.020 0.000 0.265 648 M C 1.970 178.333 176.300 0.105 0.000 1.071 648 M CA 1.563 56.891 55.300 0.048 0.000 1.140 648 M CB -0.084 32.530 32.600 0.023 0.000 1.369 648 M HN 0.253 nan 8.290 nan 0.000 0.423 649 A N 0.675 123.539 122.820 0.072 0.000 1.948 649 A HA -0.211 4.097 4.320 -0.020 0.000 0.220 649 A C 1.939 179.661 177.584 0.230 0.000 1.177 649 A CA 1.561 53.667 52.037 0.115 0.000 0.636 649 A CB -0.997 17.949 19.000 -0.090 0.000 0.815 649 A HN 0.535 nan 8.150 nan 0.000 0.449 650 L N -0.231 121.113 121.223 0.202 0.000 1.943 650 L HA -0.163 4.164 4.340 -0.020 0.000 0.215 650 L C 2.306 179.310 176.870 0.222 0.000 1.074 650 L CA 2.664 57.657 54.840 0.256 0.000 0.759 650 L CB -0.719 41.522 42.059 0.303 0.000 0.888 650 L HN 0.580 nan 8.230 nan 0.000 0.433 651 E N -1.334 118.962 120.200 0.161 0.000 2.418 651 E HA -0.155 4.182 4.350 -0.020 0.000 0.197 651 E C 2.071 178.747 176.600 0.125 0.000 1.026 651 E CA 0.131 56.597 56.400 0.111 0.000 0.862 651 E CB 0.106 29.835 29.700 0.049 0.000 0.799 651 E HN 0.322 nan 8.360 nan 0.000 0.518 652 L N -0.312 121.041 121.223 0.217 0.000 1.988 652 L HA -0.093 4.235 4.340 -0.020 0.000 0.207 652 L C 1.093 178.160 176.870 0.328 0.000 1.071 652 L CA 1.556 56.551 54.840 0.258 0.000 0.744 652 L CB -0.249 42.040 42.059 0.382 0.000 0.893 652 L HN 0.153 nan 8.230 nan 0.000 0.433 653 F N -0.314 119.782 119.950 0.244 0.000 2.873 653 F HA 0.162 4.677 4.527 -0.020 0.000 0.289 653 F C 1.778 177.763 175.800 0.308 0.000 1.206 653 F CA -0.190 58.030 58.000 0.367 0.000 1.401 653 F CB -0.848 38.311 39.000 0.264 0.000 0.996 653 F HN 0.037 nan 8.300 nan 0.000 0.511 654 K N 1.302 121.902 120.400 0.334 0.000 1.991 654 K HA -0.150 4.158 4.320 -0.020 0.000 0.212 654 K C -0.694 176.007 176.600 0.169 0.000 1.049 654 K CA 1.694 58.104 56.287 0.205 0.000 0.932 654 K CB -0.884 31.675 32.500 0.098 0.000 0.717 654 K HN 0.134 nan 8.250 nan 0.000 0.441 655 P HA -0.132 nan 4.420 nan 0.000 0.216 655 P C 0.789 178.073 177.300 -0.027 0.000 1.150 655 P CA 1.327 64.419 63.100 -0.013 0.000 0.837 655 P CB -0.033 31.608 31.700 -0.097 0.000 0.786 656 F N -1.534 118.520 119.950 0.173 0.000 2.269 656 F HA -0.121 4.394 4.527 -0.020 0.000 0.301 656 F C 2.116 178.016 175.800 0.167 0.000 1.082 656 F CA 0.698 58.806 58.000 0.179 0.000 1.360 656 F CB -0.770 38.393 39.000 0.271 0.000 1.041 656 F HN -0.116 nan 8.300 nan 0.000 0.512 657 L N -0.215 121.213 121.223 0.342 0.000 2.068 657 L HA -0.060 4.268 4.340 -0.020 0.000 0.204 657 L C 2.051 179.005 176.870 0.139 0.000 1.076 657 L CA 1.416 56.393 54.840 0.229 0.000 0.753 657 L CB -0.736 41.452 42.059 0.215 0.000 0.910 657 L HN 0.054 nan 8.230 nan 0.000 0.439 658 L N -0.014 121.273 121.223 0.107 0.000 1.991 658 L HA -0.350 3.978 4.340 -0.020 0.000 0.221 658 L C 2.716 179.617 176.870 0.052 0.000 1.079 658 L CA 2.215 57.089 54.840 0.058 0.000 0.778 658 L CB -0.829 41.249 42.059 0.032 0.000 0.893 658 L HN 0.353 nan 8.230 nan 0.000 0.437 659 K N 0.382 120.815 120.400 0.056 0.000 2.097 659 K HA -0.212 4.096 4.320 -0.020 0.000 0.205 659 K C 2.129 178.768 176.600 0.065 0.000 1.050 659 K CA 1.389 57.706 56.287 0.050 0.000 0.938 659 K CB 0.088 32.616 32.500 0.047 0.000 0.718 659 K HN 0.044 nan 8.250 nan 0.000 0.442 660 K N 0.240 120.697 120.400 0.095 0.000 2.365 660 K HA 0.034 4.341 4.320 -0.020 0.000 0.199 660 K C 2.021 178.656 176.600 0.058 0.000 1.045 660 K CA 0.639 56.976 56.287 0.083 0.000 0.962 660 K CB 0.129 32.692 32.500 0.105 0.000 0.759 660 K HN 0.124 nan 8.250 nan 0.000 0.469 661 M N -0.009 119.623 119.600 0.054 0.000 2.067 661 M HA -0.209 4.258 4.480 -0.020 0.000 0.260 661 M C 2.141 178.454 176.300 0.021 0.000 1.069 661 M CA 1.738 57.056 55.300 0.031 0.000 1.117 661 M CB -0.589 32.024 32.600 0.022 0.000 1.334 661 M HN 0.280 nan 8.290 nan 0.000 0.407 662 E N 0.767 120.981 120.200 0.023 0.000 2.110 662 E HA -0.200 4.138 4.350 -0.020 0.000 0.193 662 E C 1.550 178.161 176.600 0.018 0.000 0.988 662 E CA 1.162 57.572 56.400 0.016 0.000 0.804 662 E CB 0.052 29.762 29.700 0.016 0.000 0.745 662 E HN 0.538 nan 8.360 nan 0.000 0.458 663 E N 0.116 120.332 120.200 0.026 0.000 2.409 663 E HA -0.067 4.271 4.350 -0.020 0.000 0.198 663 E C 0.084 176.696 176.600 0.019 0.000 1.024 663 E CA 0.599 57.014 56.400 0.025 0.000 0.861 663 E CB 0.187 29.908 29.700 0.035 0.000 0.788 663 E HN 0.108 nan 8.360 nan 0.000 0.521 664 K N -0.984 119.427 120.400 0.018 0.000 2.385 664 K HA 0.270 4.578 4.320 -0.020 0.000 0.248 664 K C 0.740 177.343 176.600 0.005 0.000 0.955 664 K CA -0.365 55.929 56.287 0.011 0.000 0.816 664 K CB 1.755 34.264 32.500 0.014 0.000 1.250 664 K HN -0.049 nan 8.250 nan 0.000 0.434 665 G N 1.313 110.113 108.800 0.001 0.000 2.537 665 G HA2 -0.212 3.735 3.960 -0.020 0.000 0.220 665 G HA3 -0.212 3.735 3.960 -0.020 0.000 0.220 665 G C 1.197 176.092 174.900 -0.009 0.000 1.111 665 G CA 0.821 45.919 45.100 -0.004 0.000 0.748 665 G HN 0.590 nan 8.290 nan 0.000 0.564 666 I N 0.696 121.260 120.570 -0.010 0.000 2.236 666 I HA -0.050 4.107 4.170 -0.020 0.000 0.249 666 I C 1.537 177.642 176.117 -0.021 0.000 1.102 666 I CA 1.160 62.448 61.300 -0.021 0.000 1.365 666 I CB -0.296 37.690 38.000 -0.024 0.000 1.051 666 I HN 0.268 nan 8.210 nan 0.000 0.420 667 A N -0.806 122.007 122.820 -0.013 0.000 2.549 667 A HA 0.588 4.896 4.320 -0.020 0.000 0.297 667 A C -2.199 175.381 177.584 -0.007 0.000 1.061 667 A CA -1.032 50.998 52.037 -0.012 0.000 0.690 667 A CB 0.907 19.900 19.000 -0.013 0.000 1.287 667 A HN -0.164 nan 8.150 nan 0.000 0.402 668 P HA 0.021 nan 4.420 nan 0.000 0.217 668 P C 0.206 177.504 177.300 -0.003 0.000 1.151 668 P CA 1.171 64.268 63.100 -0.005 0.000 0.828 668 P CB 0.327 32.022 31.700 -0.007 0.000 0.788 669 N N -3.059 115.639 118.700 -0.004 0.000 3.344 669 N HA 0.117 4.845 4.740 -0.020 0.000 0.296 669 N C 0.753 176.262 175.510 -0.002 0.000 1.571 669 N CA -0.497 52.551 53.050 -0.003 0.000 0.844 669 N CB 1.018 39.502 38.487 -0.004 0.000 1.718 669 N HN -0.402 nan 8.380 nan 0.000 0.589 670 V N 1.459 121.372 119.914 -0.002 0.000 2.244 670 V HA -0.129 3.979 4.120 -0.020 0.000 0.244 670 V C 2.323 178.413 176.094 -0.006 0.000 1.042 670 V CA 1.584 63.882 62.300 -0.003 0.000 1.006 670 V CB -0.408 31.412 31.823 -0.005 0.000 0.641 670 V HN 0.632 nan 8.190 nan 0.000 0.446 671 K N 0.151 120.546 120.400 -0.008 0.000 2.211 671 K HA -0.092 4.216 4.320 -0.020 0.000 0.203 671 K C 2.199 178.792 176.600 -0.011 0.000 1.050 671 K CA 1.224 57.505 56.287 -0.010 0.000 0.945 671 K CB -0.236 32.258 32.500 -0.011 0.000 0.732 671 K HN 0.431 nan 8.250 nan 0.000 0.451 672 A N 1.439 124.253 122.820 -0.011 0.000 1.851 672 A HA -0.163 4.145 4.320 -0.020 0.000 0.216 672 A C 2.361 179.936 177.584 -0.015 0.000 1.195 672 A CA 2.129 54.158 52.037 -0.013 0.000 0.622 672 A CB -0.981 18.012 19.000 -0.012 0.000 0.831 672 A HN 0.413 nan 8.150 nan 0.000 0.444 673 A N -0.388 122.425 122.820 -0.011 0.000 1.948 673 A HA -0.237 4.070 4.320 -0.020 0.000 0.220 673 A C 2.247 179.824 177.584 -0.012 0.000 1.177 673 A CA 1.803 53.833 52.037 -0.011 0.000 0.636 673 A CB -0.530 18.469 19.000 -0.000 0.000 0.815 673 A HN 0.600 nan 8.150 nan 0.000 0.449 674 R N -1.118 119.376 120.500 -0.010 0.000 2.062 674 R HA -0.046 4.282 4.340 -0.020 0.000 0.231 674 R C 2.427 178.718 176.300 -0.015 0.000 1.136 674 R CA 1.464 57.558 56.100 -0.010 0.000 0.948 674 R CB -0.309 29.985 30.300 -0.010 0.000 0.845 674 R HN 0.451 nan 8.270 nan 0.000 0.430 675 R N 0.318 120.808 120.500 -0.017 0.000 2.148 675 R HA 0.011 4.338 4.340 -0.020 0.000 0.223 675 R C 2.225 178.509 176.300 -0.026 0.000 1.088 675 R CA 0.772 56.860 56.100 -0.020 0.000 0.985 675 R CB -0.106 30.183 30.300 -0.018 0.000 0.880 675 R HN 0.201 nan 8.270 nan 0.000 0.451 676 M N 0.354 119.936 119.600 -0.029 0.000 2.279 676 M HA -0.123 4.345 4.480 -0.020 0.000 0.264 676 M C 1.024 177.292 176.300 -0.053 0.000 1.062 676 M CA 1.574 56.849 55.300 -0.041 0.000 1.099 676 M CB 0.318 32.893 32.600 -0.042 0.000 1.394 676 M HN 0.119 nan 8.290 nan 0.000 0.426 677 L N -0.923 120.274 121.223 -0.043 0.000 2.766 677 L HA 0.094 4.422 4.340 -0.020 0.000 0.242 677 L C 1.964 178.817 176.870 -0.027 0.000 1.136 677 L CA -0.112 54.701 54.840 -0.045 0.000 0.933 677 L CB -0.328 41.712 42.059 -0.031 0.000 1.241 677 L HN 0.314 nan 8.230 nan 0.000 0.522 678 E N 1.179 121.366 120.200 -0.023 0.000 2.160 678 E HA -0.154 4.184 4.350 -0.020 0.000 0.195 678 E C 0.876 177.468 176.600 -0.014 0.000 0.991 678 E CA 0.733 57.124 56.400 -0.016 0.000 0.810 678 E CB 0.121 29.811 29.700 -0.016 0.000 0.742 678 E HN 0.477 nan 8.360 nan 0.000 0.466 679 R N 0.013 120.501 120.500 -0.021 0.000 2.797 679 R HA 0.266 4.594 4.340 -0.020 0.000 0.251 679 R C 1.431 177.719 176.300 -0.019 0.000 1.107 679 R CA -0.408 55.682 56.100 -0.017 0.000 1.084 679 R CB 0.815 31.103 30.300 -0.020 0.000 1.205 679 R HN 0.064 nan 8.270 nan 0.000 0.515 680 Q N 0.439 120.233 119.800 -0.010 0.000 2.259 680 Q HA 0.042 4.370 4.340 -0.020 0.000 0.201 680 Q C 1.610 177.599 176.000 -0.019 0.000 0.938 680 Q CA 0.842 56.644 55.803 -0.002 0.000 0.872 680 Q CB 0.400 29.150 28.738 0.020 0.000 0.971 680 Q HN 0.370 nan 8.270 nan 0.000 0.494 681 R N 0.920 121.408 120.500 -0.020 0.000 2.276 681 R HA -0.044 4.284 4.340 -0.020 0.000 0.203 681 R C 0.483 176.755 176.300 -0.047 0.000 1.017 681 R CA 0.727 56.812 56.100 -0.025 0.000 1.010 681 R CB 0.150 30.440 30.300 -0.017 0.000 0.900 681 R HN 0.206 nan 8.270 nan 0.000 0.469 682 D N 0.534 120.900 120.400 -0.057 0.000 2.340 682 D HA 0.040 4.668 4.640 -0.020 0.000 0.220 682 D C 0.125 176.359 176.300 -0.110 0.000 1.039 682 D CA 0.381 54.339 54.000 -0.070 0.000 0.866 682 D CB 0.155 40.920 40.800 -0.058 0.000 0.913 682 D HN 0.130 nan 8.370 nan 0.000 0.523 683 I N 1.634 122.111 120.570 -0.155 0.000 2.322 683 I HA 0.017 4.175 4.170 -0.020 0.000 0.292 683 I C 0.666 176.617 176.117 -0.277 0.000 1.060 683 I CA -0.239 60.901 61.300 -0.267 0.000 1.309 683 I CB 0.606 38.337 38.000 -0.448 0.000 1.415 683 I HN -0.429 nan 8.210 nan 0.000 0.492 684 K N 5.145 125.405 120.400 -0.233 0.000 2.382 684 K HA 0.059 4.366 4.320 -0.020 0.000 0.275 684 K C 0.318 176.753 176.600 -0.274 0.000 1.009 684 K CA -0.368 55.805 56.287 -0.190 0.000 0.970 684 K CB 0.572 32.996 32.500 -0.126 0.000 0.934 684 K HN 0.448 nan 8.250 nan 0.000 0.479 685 D N 2.420 122.706 120.400 -0.189 0.000 2.403 685 D HA -0.103 4.525 4.640 -0.020 0.000 0.227 685 D C 0.709 176.956 176.300 -0.088 0.000 0.995 685 D CA 0.960 54.864 54.000 -0.159 0.000 0.928 685 D CB 0.100 40.902 40.800 0.002 0.000 0.887 685 D HN 0.535 nan 8.370 nan 0.000 0.529 686 E N -0.153 119.986 120.200 -0.101 0.000 2.158 686 E HA -0.061 4.277 4.350 -0.020 0.000 0.191 686 E C 2.119 178.692 176.600 -0.045 0.000 0.982 686 E CA 0.285 56.657 56.400 -0.046 0.000 0.823 686 E CB 0.155 29.828 29.700 -0.045 0.000 0.766 686 E HN 0.092 nan 8.360 nan 0.000 0.468 687 V N 0.511 120.338 119.914 -0.146 0.000 2.295 687 V HA -0.252 3.856 4.120 -0.020 0.000 0.246 687 V C 1.878 177.984 176.094 0.020 0.000 1.049 687 V CA 1.814 64.033 62.300 -0.136 0.000 1.024 687 V CB -0.752 30.884 31.823 -0.312 0.000 0.648 687 V HN 0.425 nan 8.190 nan 0.000 0.447 688 W N 0.480 121.779 121.300 -0.001 0.000 2.318 688 W HA -0.211 4.437 4.660 -0.020 0.000 0.313 688 W C 2.429 178.941 176.519 -0.011 0.000 1.221 688 W CA 0.754 58.093 57.345 -0.010 0.000 1.266 688 W CB -0.445 29.007 29.460 -0.014 0.000 1.150 688 W HN 0.297 nan 8.180 nan 0.000 0.496 689 D N 0.222 120.764 120.400 0.238 0.000 2.158 689 D HA -0.202 4.426 4.640 -0.020 0.000 0.197 689 D C 2.084 178.444 176.300 0.100 0.000 0.995 689 D CA 1.790 55.869 54.000 0.131 0.000 0.846 689 D CB -0.778 40.071 40.800 0.082 0.000 0.941 689 D HN 0.202 nan 8.370 nan 0.000 0.456 690 A N 1.093 123.973 122.820 0.100 0.000 1.841 690 A HA -0.113 4.195 4.320 -0.020 0.000 0.214 690 A C 2.193 179.839 177.584 0.104 0.000 1.195 690 A CA 0.881 52.969 52.037 0.086 0.000 0.611 690 A CB -0.870 18.173 19.000 0.072 0.000 0.835 690 A HN 0.198 nan 8.150 nan 0.000 0.443 691 L N 0.290 121.599 121.223 0.144 0.000 1.990 691 L HA -0.229 4.099 4.340 -0.020 0.000 0.213 691 L C 2.281 179.167 176.870 0.026 0.000 1.072 691 L CA 2.814 57.724 54.840 0.117 0.000 0.755 691 L CB -0.831 41.349 42.059 0.203 0.000 0.889 691 L HN 0.628 nan 8.230 nan 0.000 0.432 692 E N -0.864 119.364 120.200 0.047 0.000 2.160 692 E HA -0.311 4.027 4.350 -0.020 0.000 0.195 692 E C 2.115 178.726 176.600 0.019 0.000 0.991 692 E CA 1.453 57.852 56.400 -0.002 0.000 0.810 692 E CB -0.120 29.592 29.700 0.020 0.000 0.742 692 E HN 0.707 nan 8.360 nan 0.000 0.466 693 E N -0.389 119.838 120.200 0.046 0.000 2.152 693 E HA -0.130 4.208 4.350 -0.020 0.000 0.192 693 E C 1.942 178.584 176.600 0.070 0.000 0.983 693 E CA 0.856 57.288 56.400 0.054 0.000 0.818 693 E CB 0.280 30.006 29.700 0.044 0.000 0.758 693 E HN 0.138 nan 8.360 nan 0.000 0.467 694 V N 1.188 121.138 119.914 0.060 0.000 2.379 694 V HA -0.197 3.910 4.120 -0.020 0.000 0.245 694 V C 2.271 178.379 176.094 0.022 0.000 1.044 694 V CA 1.338 63.688 62.300 0.083 0.000 1.036 694 V CB -0.258 31.653 31.823 0.146 0.000 0.664 694 V HN 0.356 nan 8.190 nan 0.000 0.453 695 I N -0.192 120.314 120.570 -0.105 0.000 3.444 695 I HA -0.135 4.022 4.170 -0.020 0.000 0.287 695 I C 2.192 178.270 176.117 -0.065 0.000 1.302 695 I CA 0.462 61.635 61.300 -0.211 0.000 1.368 695 I CB -0.437 37.286 38.000 -0.462 0.000 1.048 695 I HN 0.456 nan 8.210 nan 0.000 0.487 696 H N 1.573 120.610 119.070 -0.055 0.000 2.266 696 H HA -0.255 4.289 4.556 -0.020 0.000 0.286 696 H C 1.786 177.109 175.328 -0.008 0.000 1.102 696 H CA 2.258 58.292 56.048 -0.023 0.000 1.182 696 H CB -0.379 29.381 29.762 -0.003 0.000 1.345 696 H HN 0.266 nan 8.280 nan 0.000 0.485 697 G N -0.163 108.506 108.800 -0.219 0.000 3.863 697 G HA2 0.186 4.133 3.960 -0.020 0.000 0.290 697 G HA3 0.186 4.133 3.960 -0.020 0.000 0.290 697 G C -0.362 174.486 174.900 -0.086 0.000 1.018 697 G CA -0.478 44.472 45.100 -0.250 0.000 0.824 697 G HN 0.274 nan 8.290 nan 0.000 0.507 698 K N 0.297 120.669 120.400 -0.047 0.000 2.090 698 K HA 0.642 4.950 4.320 -0.020 0.000 0.249 698 K C -0.387 176.228 176.600 0.025 0.000 0.995 698 K CA -0.578 55.711 56.287 0.004 0.000 0.914 698 K CB 2.403 34.940 32.500 0.062 0.000 1.057 698 K HN 0.081 nan 8.250 nan 0.000 0.462 699 V N -1.762 118.182 119.914 0.050 0.000 3.007 699 V HA 0.617 4.725 4.120 -0.020 0.000 0.311 699 V C -0.332 175.830 176.094 0.113 0.000 1.120 699 V CA -1.129 61.212 62.300 0.069 0.000 0.980 699 V CB 1.381 33.215 31.823 0.018 0.000 1.033 699 V HN 0.601 nan 8.190 nan 0.000 0.429 700 V N 1.021 121.032 119.914 0.162 0.000 2.994 700 V HA 0.841 4.949 4.120 -0.020 0.000 0.318 700 V C -0.624 175.570 176.094 0.167 0.000 1.085 700 V CA -0.892 61.514 62.300 0.177 0.000 0.998 700 V CB 1.647 33.612 31.823 0.236 0.000 1.063 700 V HN 0.777 nan 8.190 nan 0.000 0.447 701 L N 2.426 123.749 121.223 0.166 0.000 2.322 701 L HA 0.690 5.017 4.340 -0.020 0.000 0.279 701 L C -0.304 176.711 176.870 0.242 0.000 1.036 701 L CA -0.201 54.731 54.840 0.153 0.000 0.807 701 L CB 1.099 43.216 42.059 0.096 0.000 1.226 701 L HN 0.591 nan 8.230 nan 0.000 0.433 702 L N 2.695 124.083 121.223 0.275 0.000 2.342 702 L HA 0.618 4.946 4.340 -0.020 0.000 0.271 702 L C -0.414 176.604 176.870 0.247 0.000 1.008 702 L CA -0.316 54.682 54.840 0.264 0.000 0.818 702 L CB 1.847 44.086 42.059 0.299 0.000 1.296 702 L HN 0.671 nan 8.230 nan 0.000 0.427 703 N N 1.114 119.916 118.700 0.170 0.000 2.397 703 N HA 0.442 5.169 4.740 -0.020 0.000 0.291 703 N C -1.061 174.519 175.510 0.116 0.000 1.065 703 N CA -0.706 52.462 53.050 0.196 0.000 0.884 703 N CB 1.975 40.570 38.487 0.180 0.000 1.551 703 N HN 0.519 nan 8.380 nan 0.000 0.487 704 R N 2.035 122.636 120.500 0.170 0.000 2.519 704 R HA 0.643 4.970 4.340 -0.020 0.000 0.244 704 R C 1.007 177.360 176.300 0.087 0.000 1.241 704 R CA 0.159 56.314 56.100 0.091 0.000 1.120 704 R CB 0.443 30.830 30.300 0.145 0.000 1.333 704 R HN 0.698 nan 8.270 nan 0.000 0.587 705 A N 1.305 124.162 122.820 0.062 0.000 1.848 705 A HA -0.015 4.293 4.320 -0.020 0.000 0.211 705 A C -1.330 176.281 177.584 0.044 0.000 1.225 705 A CA 0.940 53.005 52.037 0.048 0.000 0.637 705 A CB -1.689 17.332 19.000 0.034 0.000 0.867 705 A HN 0.542 nan 8.150 nan 0.000 0.463 706 P HA 0.316 nan 4.420 nan 0.000 0.284 706 P C -1.047 176.252 177.300 -0.002 0.000 1.343 706 P CA 0.081 63.190 63.100 0.016 0.000 0.826 706 P CB 0.927 32.630 31.700 0.005 0.000 0.956 707 T N 4.270 118.826 114.554 0.005 0.000 2.751 707 T HA 0.133 4.471 4.350 -0.020 0.000 0.290 707 T C 1.271 175.933 174.700 -0.063 0.000 0.919 707 T CA 0.399 62.484 62.100 -0.025 0.000 1.136 707 T CB -0.053 68.817 68.868 0.002 0.000 0.875 707 T HN 0.288 nan 8.240 nan 0.000 0.532 708 L N 3.121 124.248 121.223 -0.160 0.000 2.500 708 L HA 0.281 4.609 4.340 -0.020 0.000 0.219 708 L C 1.279 178.098 176.870 -0.085 0.000 1.057 708 L CA 0.107 54.874 54.840 -0.122 0.000 0.854 708 L CB 0.226 42.210 42.059 -0.124 0.000 1.078 708 L HN 0.735 nan 8.230 nan 0.000 0.480 709 H N -2.252 116.804 119.070 -0.022 0.000 2.908 709 H HA 0.297 4.841 4.556 -0.021 0.000 0.350 709 H C 0.424 175.726 175.328 -0.044 0.000 1.217 709 H CA -0.864 55.162 56.048 -0.037 0.000 1.168 709 H CB 1.030 30.759 29.762 -0.055 0.000 1.891 709 H HN -0.076 nan 8.280 nan 0.000 0.566 710 R N 0.304 120.899 120.500 0.159 0.000 2.117 710 R HA -0.087 4.241 4.340 -0.020 0.000 0.243 710 R C 1.231 177.566 176.300 0.057 0.000 1.143 710 R CA 1.786 57.927 56.100 0.069 0.000 0.968 710 R CB -0.615 29.706 30.300 0.036 0.000 0.863 710 R HN 0.535 nan 8.270 nan 0.000 0.444 711 L N 1.298 122.613 121.223 0.153 0.000 2.549 711 L HA 0.043 4.371 4.340 -0.020 0.000 0.229 711 L C 2.250 178.997 176.870 -0.204 0.000 1.158 711 L CA 0.697 55.531 54.840 -0.011 0.000 0.842 711 L CB -0.486 41.566 42.059 -0.013 0.000 0.952 711 L HN 0.471 nan 8.230 nan 0.000 0.452 712 G N 0.502 109.221 108.800 -0.135 0.000 2.740 712 G HA2 0.031 3.979 3.960 -0.020 0.000 0.208 712 G HA3 0.031 3.979 3.960 -0.020 0.000 0.208 712 G C 0.623 175.609 174.900 0.144 0.000 1.148 712 G CA 0.238 45.268 45.100 -0.116 0.000 0.795 712 G HN 0.348 nan 8.290 nan 0.000 0.526 713 I N -0.185 120.441 120.570 0.093 0.000 2.590 713 I HA 0.215 4.372 4.170 -0.020 0.000 0.283 713 I C -0.945 175.224 176.117 0.087 0.000 1.154 713 I CA -0.442 60.970 61.300 0.186 0.000 1.067 713 I CB 1.738 39.778 38.000 0.067 0.000 1.243 713 I HN 0.008 nan 8.210 nan 0.000 0.451 714 Q N 3.627 123.522 119.800 0.159 0.000 2.416 714 Q HA 0.862 5.189 4.340 -0.020 0.000 0.279 714 Q C -0.669 175.106 176.000 -0.375 0.000 1.101 714 Q CA -0.918 54.797 55.803 -0.146 0.000 0.830 714 Q CB 3.173 31.778 28.738 -0.222 0.000 1.402 714 Q HN 0.688 nan 8.270 nan 0.000 0.445 715 A N 1.092 123.603 122.820 -0.516 0.000 2.320 715 A HA 0.885 5.192 4.320 -0.020 0.000 0.334 715 A C -1.262 175.915 177.584 -0.678 0.000 1.147 715 A CA -0.304 51.483 52.037 -0.418 0.000 0.820 715 A CB 0.517 19.420 19.000 -0.161 0.000 1.218 715 A HN 0.556 nan 8.150 nan 0.000 0.482 716 F N -1.129 118.841 119.950 0.033 0.000 2.685 716 F HA 0.435 4.950 4.527 -0.021 0.000 0.315 716 F C 0.032 175.793 175.800 -0.065 0.000 1.126 716 F CA -0.622 57.361 58.000 -0.029 0.000 0.950 716 F CB 1.829 40.836 39.000 0.012 0.000 1.360 716 F HN 0.531 nan 8.300 nan 0.000 0.469 717 Q N 2.221 122.063 119.800 0.071 0.000 2.314 717 Q HA 0.340 4.667 4.340 -0.020 0.000 0.257 717 Q C -2.508 173.499 176.000 0.012 0.000 0.975 717 Q CA -1.841 53.950 55.803 -0.020 0.000 0.933 717 Q CB 1.210 29.871 28.738 -0.129 0.000 1.195 717 Q HN 0.085 nan 8.270 nan 0.000 0.426 718 P HA -0.019 nan 4.420 nan 0.000 0.276 718 P C -1.160 176.094 177.300 -0.076 0.000 1.235 718 P CA -0.077 63.002 63.100 -0.036 0.000 0.772 718 P CB 0.698 32.367 31.700 -0.052 0.000 0.871 719 V N 2.855 122.721 119.914 -0.080 0.000 2.235 719 V HA 0.236 4.344 4.120 -0.020 0.000 0.266 719 V C 0.102 176.125 176.094 -0.117 0.000 1.055 719 V CA -1.072 61.175 62.300 -0.088 0.000 0.844 719 V CB -0.310 31.473 31.823 -0.068 0.000 1.097 719 V HN 0.302 nan 8.190 nan 0.000 0.453 720 L N 4.272 125.408 121.223 -0.145 0.000 2.693 720 L HA 0.166 4.493 4.340 -0.020 0.000 0.292 720 L C 0.407 177.163 176.870 -0.191 0.000 1.243 720 L CA 1.118 55.845 54.840 -0.188 0.000 0.903 720 L CB -0.281 41.640 42.059 -0.230 0.000 1.160 720 L HN 0.683 nan 8.230 nan 0.000 0.496 721 V N -0.717 119.075 119.914 -0.202 0.000 3.181 721 V HA 0.620 4.728 4.120 -0.020 0.000 0.308 721 V C -0.557 175.413 176.094 -0.207 0.000 1.214 721 V CA -1.118 61.069 62.300 -0.189 0.000 1.053 721 V CB 1.951 33.683 31.823 -0.152 0.000 1.069 721 V HN 0.657 nan 8.190 nan 0.000 0.441 722 E N 0.511 120.603 120.200 -0.179 0.000 2.231 722 E HA 0.697 5.035 4.350 -0.020 0.000 0.277 722 E C 0.197 176.723 176.600 -0.123 0.000 0.999 722 E CA 0.285 56.586 56.400 -0.164 0.000 0.827 722 E CB 1.716 31.329 29.700 -0.144 0.000 1.101 722 E HN 1.483 nan 8.360 nan 0.000 0.393 723 G N 1.483 110.219 108.800 -0.106 0.000 2.343 723 G HA2 -0.224 3.723 3.960 -0.020 0.000 0.562 723 G HA3 -0.224 3.723 3.960 -0.020 0.000 0.562 723 G C 0.185 175.040 174.900 -0.075 0.000 1.269 723 G CA 0.055 45.105 45.100 -0.082 0.000 1.011 723 G HN 0.577 nan 8.290 nan 0.000 0.498 724 Q N -0.479 119.282 119.800 -0.064 0.000 2.226 724 Q HA 0.284 4.612 4.340 -0.020 0.000 0.199 724 Q C 1.306 177.269 176.000 -0.062 0.000 0.945 724 Q CA 1.381 57.152 55.803 -0.053 0.000 0.861 724 Q CB -0.022 28.691 28.738 -0.041 0.000 0.953 724 Q HN 0.654 nan 8.270 nan 0.000 0.490 725 S N 1.313 116.967 115.700 -0.077 0.000 2.585 725 S HA 0.290 4.748 4.470 -0.020 0.000 0.273 725 S C 0.175 174.713 174.600 -0.105 0.000 1.339 725 S CA -0.464 57.682 58.200 -0.090 0.000 1.028 725 S CB 0.601 63.735 63.200 -0.111 0.000 0.906 725 S HN 0.333 nan 8.310 nan 0.000 0.528 726 I N 1.863 122.369 120.570 -0.106 0.000 2.315 726 I HA 0.234 4.392 4.170 -0.020 0.000 0.291 726 I C 0.186 176.206 176.117 -0.161 0.000 1.006 726 I CA -0.488 60.742 61.300 -0.116 0.000 1.265 726 I CB 0.571 38.517 38.000 -0.090 0.000 1.387 726 I HN 0.462 nan 8.210 nan 0.000 0.475 727 Q N 5.476 125.170 119.800 -0.177 0.000 2.307 727 Q HA 0.383 4.711 4.340 -0.020 0.000 0.259 727 Q C -0.924 174.939 176.000 -0.228 0.000 0.998 727 Q CA -0.578 55.097 55.803 -0.215 0.000 0.923 727 Q CB 1.891 30.512 28.738 -0.195 0.000 1.196 727 Q HN 0.441 nan 8.270 nan 0.000 0.416 728 L N 2.831 123.922 121.223 -0.220 0.000 2.317 728 L HA 0.289 4.617 4.340 -0.020 0.000 0.281 728 L C -0.266 176.581 176.870 -0.039 0.000 1.024 728 L CA -0.580 54.162 54.840 -0.162 0.000 0.810 728 L CB 1.135 43.176 42.059 -0.030 0.000 1.240 728 L HN 0.585 nan 8.230 nan 0.000 0.427 729 H N 5.950 124.963 119.070 -0.096 0.000 2.790 729 H HA 0.189 4.733 4.556 -0.021 0.000 0.358 729 H C -2.005 173.443 175.328 0.200 0.000 1.103 729 H CA -1.312 54.767 56.048 0.050 0.000 1.426 729 H CB 1.542 31.349 29.762 0.075 0.000 1.424 729 H HN 0.508 nan 8.280 nan 0.000 0.599 730 P HA -0.110 nan 4.420 nan 0.000 0.216 730 P C 1.885 179.499 177.300 0.524 0.000 1.153 730 P CA 0.816 64.211 63.100 0.491 0.000 0.844 730 P CB 0.516 32.522 31.700 0.511 0.000 0.787 731 L N 0.164 121.794 121.223 0.677 0.000 2.079 731 L HA -0.109 4.219 4.340 -0.020 0.000 0.210 731 L C 2.574 179.588 176.870 0.241 0.000 1.081 731 L CA 1.647 56.678 54.840 0.319 0.000 0.752 731 L CB -1.040 41.112 42.059 0.155 0.000 0.896 731 L HN -0.076 nan 8.230 nan 0.000 0.433 732 V N -5.316 114.779 119.914 0.302 0.000 3.380 732 V HA -0.103 4.005 4.120 -0.020 0.000 0.268 732 V C 2.201 178.573 176.094 0.462 0.000 1.168 732 V CA 0.595 63.108 62.300 0.356 0.000 1.156 732 V CB -1.051 31.124 31.823 0.588 0.000 0.785 732 V HN 0.424 nan 8.190 nan 0.000 0.487 733 C N 0.397 119.935 119.300 0.396 0.000 2.409 733 C HA -0.104 4.343 4.460 -0.020 0.000 0.284 733 C C 2.564 177.689 174.990 0.224 0.000 1.354 733 C CA 1.555 60.761 59.018 0.314 0.000 1.787 733 C CB -1.227 26.600 27.740 0.145 0.000 1.900 733 C HN 0.772 nan 8.230 nan 0.000 0.520 734 E N 1.084 121.389 120.200 0.176 0.000 2.051 734 E HA -0.090 4.248 4.350 -0.020 0.000 0.189 734 E C 2.336 178.994 176.600 0.097 0.000 0.979 734 E CA 0.974 57.436 56.400 0.104 0.000 0.803 734 E CB -0.159 29.583 29.700 0.070 0.000 0.761 734 E HN 0.552 nan 8.360 nan 0.000 0.451 735 A N 1.203 124.057 122.820 0.055 0.000 1.859 735 A HA -0.185 4.123 4.320 -0.020 0.000 0.218 735 A C 0.689 178.239 177.584 -0.057 0.000 1.209 735 A CA 1.411 53.430 52.037 -0.032 0.000 0.639 735 A CB -1.071 17.766 19.000 -0.272 0.000 0.835 735 A HN 0.265 nan 8.150 nan 0.000 0.450 736 F N 0.731 120.744 119.950 0.104 0.000 2.471 736 F HA 0.244 4.758 4.527 -0.021 0.000 0.365 736 F C 0.745 176.551 175.800 0.011 0.000 1.095 736 F CA -1.189 56.830 58.000 0.032 0.000 1.174 736 F CB -0.188 38.848 39.000 0.060 0.000 1.105 736 F HN 0.189 nan 8.300 nan 0.000 0.535 737 N N 3.261 122.041 118.700 0.133 0.000 2.399 737 N HA 0.236 4.964 4.740 -0.020 0.000 0.284 737 N C -1.015 174.529 175.510 0.058 0.000 1.283 737 N CA 0.196 53.290 53.050 0.074 0.000 0.972 737 N CB 0.182 38.685 38.487 0.026 0.000 1.328 737 N HN 0.775 nan 8.380 nan 0.000 0.486 738 A N 3.787 126.623 122.820 0.027 0.000 2.402 738 A HA 0.362 4.670 4.320 -0.020 0.000 0.291 738 A C -0.722 176.686 177.584 -0.292 0.000 1.051 738 A CA -0.952 51.045 52.037 -0.067 0.000 0.716 738 A CB 1.022 20.019 19.000 -0.006 0.000 1.223 738 A HN 0.652 nan 8.150 nan 0.000 0.425 739 D N 1.052 121.268 120.400 -0.306 0.000 2.442 739 D HA 0.453 5.081 4.640 -0.020 0.000 0.254 739 D C -0.708 175.320 176.300 -0.453 0.000 1.069 739 D CA -0.402 53.304 54.000 -0.490 0.000 1.017 739 D CB 1.053 41.720 40.800 -0.222 0.000 1.172 739 D HN 0.421 nan 8.370 nan 0.000 0.561 740 F N 0.171 120.122 119.950 0.002 0.000 2.975 740 F HA 0.136 4.650 4.527 -0.022 0.000 0.311 740 F C 0.290 176.080 175.800 -0.016 0.000 1.239 740 F CA -0.735 57.257 58.000 -0.013 0.000 1.282 740 F CB 0.138 39.126 39.000 -0.021 0.000 1.071 740 F HN 0.070 nan 8.300 nan 0.000 0.516 741 D N -0.822 119.641 120.400 0.105 0.000 2.342 741 D HA 0.262 4.889 4.640 -0.020 0.000 0.221 741 D C 1.709 178.040 176.300 0.051 0.000 1.101 741 D CA 0.335 54.371 54.000 0.060 0.000 0.837 741 D CB 0.584 41.396 40.800 0.020 0.000 0.938 741 D HN 0.421 nan 8.370 nan 0.000 0.508 742 G N 0.202 109.047 108.800 0.075 0.000 2.273 742 G HA2 -0.202 3.746 3.960 -0.020 0.000 0.162 742 G HA3 -0.202 3.746 3.960 -0.020 0.000 0.162 742 G C -0.600 174.329 174.900 0.049 0.000 1.006 742 G CA -0.678 44.452 45.100 0.050 0.000 0.704 742 G HN 0.277 nan 8.290 nan 0.000 0.487 743 D N 1.612 122.047 120.400 0.058 0.000 2.487 743 D HA 0.387 5.015 4.640 -0.020 0.000 0.243 743 D C 0.616 176.944 176.300 0.048 0.000 1.154 743 D CA 0.925 54.951 54.000 0.044 0.000 0.876 743 D CB 0.569 41.389 40.800 0.032 0.000 1.161 743 D HN 0.346 nan 8.370 nan 0.000 0.478 744 Q N 1.897 121.713 119.800 0.027 0.000 2.282 744 Q HA 0.495 4.823 4.340 -0.020 0.000 0.260 744 Q C -0.534 175.470 176.000 0.007 0.000 0.964 744 Q CA -0.614 55.198 55.803 0.016 0.000 0.880 744 Q CB 1.856 30.601 28.738 0.011 0.000 1.286 744 Q HN 0.403 nan 8.270 nan 0.000 0.445 745 M N 1.440 121.034 119.600 -0.009 0.000 2.404 745 M HA 0.540 5.007 4.480 -0.020 0.000 0.338 745 M C -0.481 175.825 176.300 0.009 0.000 1.150 745 M CA -0.497 54.792 55.300 -0.019 0.000 1.016 745 M CB 1.878 34.427 32.600 -0.085 0.000 1.672 745 M HN 0.669 nan 8.290 nan 0.000 0.448 746 A N 2.147 124.995 122.820 0.047 0.000 2.271 746 A HA 0.788 5.095 4.320 -0.020 0.000 0.288 746 A C -1.023 176.623 177.584 0.103 0.000 1.094 746 A CA -0.645 51.428 52.037 0.060 0.000 0.828 746 A CB 1.182 20.244 19.000 0.104 0.000 1.091 746 A HN 0.670 nan 8.150 nan 0.000 0.493 747 V N 2.325 122.264 119.914 0.041 0.000 2.733 747 V HA 0.522 4.629 4.120 -0.020 0.000 0.306 747 V C -1.027 175.065 176.094 -0.003 0.000 1.084 747 V CA -0.518 61.850 62.300 0.113 0.000 0.905 747 V CB 1.526 33.405 31.823 0.094 0.000 1.010 747 V HN 1.037 nan 8.190 nan 0.000 0.424 748 H N 4.161 123.284 119.070 0.089 0.000 2.737 748 H HA 0.767 5.311 4.556 -0.021 0.000 0.358 748 H C -1.142 174.219 175.328 0.055 0.000 1.187 748 H CA -0.781 55.312 56.048 0.076 0.000 1.221 748 H CB 2.394 32.192 29.762 0.060 0.000 1.799 748 H HN 0.548 nan 8.280 nan 0.000 0.568 749 V N 1.075 121.074 119.914 0.142 0.000 2.531 749 V HA 0.258 4.366 4.120 -0.020 0.000 0.301 749 V C -2.562 173.493 176.094 -0.064 0.000 1.034 749 V CA -2.062 60.225 62.300 -0.021 0.000 0.865 749 V CB 1.325 33.029 31.823 -0.199 0.000 0.995 749 V HN 0.583 nan 8.190 nan 0.000 0.424 750 P HA 0.397 nan 4.420 nan 0.000 0.275 750 P C 0.403 177.644 177.300 -0.098 0.000 1.276 750 P CA -0.089 62.975 63.100 -0.060 0.000 0.782 750 P CB 0.937 32.620 31.700 -0.029 0.000 0.851 751 L N 1.161 122.325 121.223 -0.098 0.000 2.145 751 L HA 0.010 4.338 4.340 -0.020 0.000 0.201 751 L C 1.208 178.102 176.870 0.039 0.000 1.075 751 L CA 0.687 55.499 54.840 -0.047 0.000 0.773 751 L CB -0.574 41.367 42.059 -0.197 0.000 0.936 751 L HN 0.311 nan 8.230 nan 0.000 0.451 752 S N -1.371 114.343 115.700 0.022 0.000 2.593 752 S HA 0.035 4.493 4.470 -0.020 0.000 0.269 752 S C 1.175 175.826 174.600 0.085 0.000 1.334 752 S CA -0.141 58.099 58.200 0.067 0.000 1.015 752 S CB 1.522 64.768 63.200 0.076 0.000 0.912 752 S HN 0.097 nan 8.310 nan 0.000 0.541 753 S N 0.157 115.912 115.700 0.093 0.000 2.419 753 S HA -0.077 4.381 4.470 -0.020 0.000 0.233 753 S C 1.226 175.854 174.600 0.046 0.000 1.016 753 S CA 0.850 59.082 58.200 0.053 0.000 0.974 753 S CB -0.701 62.518 63.200 0.031 0.000 0.786 753 S HN 0.658 nan 8.310 nan 0.000 0.492 754 F N 1.664 121.602 119.950 -0.020 0.000 2.098 754 F HA 0.019 4.534 4.527 -0.021 0.000 0.294 754 F C 2.481 178.259 175.800 -0.036 0.000 1.107 754 F CA 1.029 59.011 58.000 -0.031 0.000 1.234 754 F CB -0.530 38.448 39.000 -0.036 0.000 1.002 754 F HN 0.270 nan 8.300 nan 0.000 0.472 755 A N -0.530 122.436 122.820 0.244 0.000 1.948 755 A HA -0.332 3.975 4.320 -0.020 0.000 0.220 755 A C 1.973 179.596 177.584 0.065 0.000 1.177 755 A CA 2.245 54.350 52.037 0.113 0.000 0.636 755 A CB -0.922 18.103 19.000 0.041 0.000 0.815 755 A HN 0.562 nan 8.150 nan 0.000 0.449 756 Q N -1.163 118.662 119.800 0.042 0.000 2.163 756 Q HA 0.154 4.481 4.340 -0.020 0.000 0.198 756 Q C 2.184 178.179 176.000 -0.009 0.000 0.954 756 Q CA 1.166 56.971 55.803 0.004 0.000 0.851 756 Q CB -0.349 28.380 28.738 -0.015 0.000 0.928 756 Q HN 0.612 nan 8.270 nan 0.000 0.459 757 A N 1.618 124.426 122.820 -0.019 0.000 1.859 757 A HA -0.328 3.980 4.320 -0.020 0.000 0.217 757 A C 1.900 179.459 177.584 -0.041 0.000 1.198 757 A CA 2.099 54.093 52.037 -0.072 0.000 0.629 757 A CB -0.973 17.909 19.000 -0.197 0.000 0.830 757 A HN 0.671 nan 8.150 nan 0.000 0.446 758 E N 0.037 120.253 120.200 0.027 0.000 2.058 758 E HA -0.112 4.226 4.350 -0.020 0.000 0.194 758 E C 2.160 178.754 176.600 -0.010 0.000 0.997 758 E CA 1.216 57.633 56.400 0.029 0.000 0.801 758 E CB -0.650 29.107 29.700 0.095 0.000 0.746 758 E HN 0.519 nan 8.360 nan 0.000 0.450 759 A N 2.479 125.298 122.820 -0.002 0.000 1.884 759 A HA -0.285 4.022 4.320 -0.020 0.000 0.219 759 A C 2.372 179.935 177.584 -0.035 0.000 1.197 759 A CA 2.644 54.669 52.037 -0.019 0.000 0.637 759 A CB -0.778 18.216 19.000 -0.010 0.000 0.827 759 A HN 0.471 nan 8.150 nan 0.000 0.450 760 R N -1.059 119.420 120.500 -0.036 0.000 2.254 760 R HA 0.338 4.666 4.340 -0.020 0.000 0.195 760 R C 1.660 177.916 176.300 -0.074 0.000 0.957 760 R CA 0.870 56.953 56.100 -0.030 0.000 1.024 760 R CB -0.379 29.913 30.300 -0.014 0.000 0.952 760 R HN 0.466 nan 8.270 nan 0.000 0.484 761 I N 1.685 122.182 120.570 -0.123 0.000 2.235 761 I HA -0.183 3.975 4.170 -0.020 0.000 0.241 761 I C 1.831 177.750 176.117 -0.329 0.000 1.085 761 I CA 1.348 62.504 61.300 -0.240 0.000 1.378 761 I CB 0.033 37.938 38.000 -0.159 0.000 1.076 761 I HN 0.297 nan 8.210 nan 0.000 0.415 762 Q N -0.685 119.016 119.800 -0.165 0.000 2.189 762 Q HA 0.251 4.578 4.340 -0.020 0.000 0.223 762 Q C 1.415 177.380 176.000 -0.058 0.000 0.828 762 Q CA 0.059 55.795 55.803 -0.112 0.000 0.967 762 Q CB 0.708 29.406 28.738 -0.066 0.000 1.139 762 Q HN 0.407 nan 8.270 nan 0.000 0.497 763 M N 0.416 119.984 119.600 -0.053 0.000 2.260 763 M HA 0.285 4.752 4.480 -0.020 0.000 0.326 763 M C -0.465 175.793 176.300 -0.069 0.000 0.930 763 M CA -0.476 54.795 55.300 -0.048 0.000 1.051 763 M CB 1.080 33.651 32.600 -0.048 0.000 1.748 763 M HN 0.330 nan 8.290 nan 0.000 0.606 764 L N 0.723 121.933 121.223 -0.021 0.000 2.483 764 L HA 0.146 4.474 4.340 -0.020 0.000 0.275 764 L C 1.341 178.175 176.870 -0.059 0.000 1.220 764 L CA 0.905 55.721 54.840 -0.039 0.000 0.833 764 L CB 0.947 43.090 42.059 0.139 0.000 1.102 764 L HN 0.397 nan 8.230 nan 0.000 0.490 765 S N 3.307 118.881 115.700 -0.209 0.000 2.343 765 S HA -0.135 4.323 4.470 -0.020 0.000 0.219 765 S C 1.727 176.324 174.600 -0.006 0.000 1.033 765 S CA 0.829 58.951 58.200 -0.130 0.000 1.014 765 S CB -1.142 62.028 63.200 -0.049 0.000 0.915 765 S HN 0.957 nan 8.310 nan 0.000 0.435 766 A N 0.714 123.538 122.820 0.006 0.000 2.234 766 A HA -0.049 4.259 4.320 -0.020 0.000 0.216 766 A C 1.704 179.217 177.584 -0.117 0.000 1.167 766 A CA 1.522 53.533 52.037 -0.043 0.000 0.698 766 A CB -0.991 17.984 19.000 -0.042 0.000 0.779 766 A HN 0.830 nan 8.150 nan 0.000 0.475 767 H N -0.772 118.326 119.070 0.048 0.000 2.547 767 H HA 0.145 4.689 4.556 -0.020 0.000 0.272 767 H C 0.162 175.537 175.328 0.078 0.000 0.971 767 H CA 0.447 56.529 56.048 0.057 0.000 1.245 767 H CB 0.297 30.074 29.762 0.025 0.000 1.440 767 H HN 0.377 nan 8.280 nan 0.000 0.540 768 N N 1.526 120.304 118.700 0.129 0.000 2.955 768 N HA 0.117 4.844 4.740 -0.020 0.000 0.242 768 N C 0.068 175.587 175.510 0.014 0.000 1.123 768 N CA 0.072 53.160 53.050 0.062 0.000 0.949 768 N CB 1.264 39.757 38.487 0.009 0.000 1.214 768 N HN 0.299 nan 8.380 nan 0.000 0.504 769 L N 0.090 121.328 121.223 0.025 0.000 2.357 769 L HA 0.287 4.614 4.340 -0.020 0.000 0.211 769 L C 0.601 177.373 176.870 -0.163 0.000 1.075 769 L CA 0.610 55.429 54.840 -0.034 0.000 0.830 769 L CB 0.122 42.219 42.059 0.064 0.000 0.996 769 L HN 0.203 nan 8.230 nan 0.000 0.467 770 L N 0.233 121.278 121.223 -0.296 0.000 2.309 770 L HA 0.300 4.628 4.340 -0.020 0.000 0.282 770 L C 0.563 177.332 176.870 -0.169 0.000 1.036 770 L CA -0.291 54.368 54.840 -0.302 0.000 0.806 770 L CB 1.784 43.530 42.059 -0.523 0.000 1.220 770 L HN -0.014 nan 8.230 nan 0.000 0.429 771 S N 3.076 118.695 115.700 -0.134 0.000 2.576 771 S HA 0.225 4.683 4.470 -0.020 0.000 0.276 771 S C -1.799 172.758 174.600 -0.071 0.000 1.339 771 S CA -0.894 57.229 58.200 -0.129 0.000 1.039 771 S CB 1.057 64.174 63.200 -0.138 0.000 0.902 771 S HN 0.401 nan 8.310 nan 0.000 0.516 772 P HA 0.194 nan 4.420 nan 0.000 0.236 772 P C 0.829 178.174 177.300 0.075 0.000 1.177 772 P CA 0.630 63.749 63.100 0.032 0.000 0.773 772 P CB 0.086 31.790 31.700 0.008 0.000 0.878 773 A N -0.503 122.289 122.820 -0.047 0.000 1.878 773 A HA 0.110 4.418 4.320 -0.020 0.000 0.213 773 A C 1.191 178.834 177.584 0.098 0.000 1.192 773 A CA 1.292 53.302 52.037 -0.044 0.000 0.619 773 A CB -0.653 18.282 19.000 -0.110 0.000 0.837 773 A HN 0.299 nan 8.150 nan 0.000 0.446 774 S N -2.149 113.557 115.700 0.010 0.000 2.548 774 S HA 0.533 4.991 4.470 -0.020 0.000 0.286 774 S C 0.514 175.049 174.600 -0.107 0.000 1.098 774 S CA 0.069 58.245 58.200 -0.041 0.000 0.930 774 S CB 1.440 64.596 63.200 -0.072 0.000 1.070 774 S HN 0.792 nan 8.310 nan 0.000 0.480 775 G N 1.036 109.666 108.800 -0.283 0.000 3.262 775 G HA2 0.191 4.139 3.960 -0.020 0.000 0.222 775 G HA3 0.191 4.139 3.960 -0.020 0.000 0.222 775 G C -0.021 174.853 174.900 -0.043 0.000 1.269 775 G CA -0.204 44.759 45.100 -0.228 0.000 1.032 775 G HN 0.749 nan 8.290 nan 0.000 0.502 776 E N 0.797 120.955 120.200 -0.070 0.000 2.175 776 E HA 0.224 4.562 4.350 -0.020 0.000 0.278 776 E C -2.450 174.139 176.600 -0.018 0.000 0.969 776 E CA -2.112 54.284 56.400 -0.007 0.000 0.796 776 E CB 1.659 31.324 29.700 -0.058 0.000 1.104 776 E HN 0.022 nan 8.360 nan 0.000 0.395 777 P HA -0.137 nan 4.420 nan 0.000 0.266 777 P C -0.086 177.190 177.300 -0.039 0.000 1.180 777 P CA 0.251 63.330 63.100 -0.035 0.000 0.765 777 P CB 0.496 32.206 31.700 0.016 0.000 0.806 778 L N 3.082 124.272 121.223 -0.055 0.000 2.672 778 L HA 0.322 4.650 4.340 -0.020 0.000 0.236 778 L C 1.336 178.199 176.870 -0.011 0.000 1.092 778 L CA 0.728 55.541 54.840 -0.045 0.000 0.887 778 L CB -0.373 41.638 42.059 -0.079 0.000 1.168 778 L HN 0.332 nan 8.230 nan 0.000 0.502 779 A N 0.718 123.535 122.820 -0.004 0.000 3.019 779 A HA 0.193 4.501 4.320 -0.020 0.000 0.262 779 A C 0.179 177.786 177.584 0.039 0.000 1.509 779 A CA -0.455 51.596 52.037 0.024 0.000 1.159 779 A CB -1.156 17.858 19.000 0.025 0.000 1.042 779 A HN 0.335 nan 8.150 nan 0.000 0.641 780 K N 0.236 120.655 120.400 0.033 0.000 2.227 780 K HA 0.443 4.751 4.320 -0.020 0.000 0.280 780 K C -2.899 173.723 176.600 0.037 0.000 1.041 780 K CA -1.995 54.313 56.287 0.035 0.000 0.905 780 K CB 0.462 32.975 32.500 0.021 0.000 1.068 780 K HN -0.066 nan 8.250 nan 0.000 0.470 781 P HA -0.117 nan 4.420 nan 0.000 0.252 781 P C -0.485 176.817 177.300 0.002 0.000 1.147 781 P CA 0.705 63.813 63.100 0.012 0.000 0.779 781 P CB 0.418 32.127 31.700 0.016 0.000 0.733 782 S N 3.386 119.090 115.700 0.007 0.000 2.484 782 S HA 0.135 4.593 4.470 -0.020 0.000 0.256 782 S C 1.836 176.434 174.600 -0.004 0.000 1.223 782 S CA -0.587 57.623 58.200 0.017 0.000 1.002 782 S CB 0.230 63.466 63.200 0.060 0.000 1.043 782 S HN 0.417 nan 8.310 nan 0.000 0.517 783 R N 1.030 121.539 120.500 0.016 0.000 2.143 783 R HA -0.197 4.131 4.340 -0.020 0.000 0.239 783 R C 1.470 177.779 176.300 0.014 0.000 1.126 783 R CA 2.224 58.332 56.100 0.013 0.000 0.927 783 R CB -0.997 29.324 30.300 0.035 0.000 0.860 783 R HN 0.526 nan 8.270 nan 0.000 0.433 784 D N 0.183 120.611 120.400 0.047 0.000 2.149 784 D HA 0.043 4.671 4.640 -0.020 0.000 0.206 784 D C 2.071 178.322 176.300 -0.083 0.000 0.967 784 D CA 0.700 54.730 54.000 0.050 0.000 0.848 784 D CB -0.150 40.807 40.800 0.262 0.000 0.998 784 D HN 0.163 nan 8.370 nan 0.000 0.474 785 I N 0.769 121.167 120.570 -0.286 0.000 2.194 785 I HA -0.280 3.878 4.170 -0.020 0.000 0.246 785 I C 2.115 178.186 176.117 -0.077 0.000 1.093 785 I CA 0.934 62.046 61.300 -0.313 0.000 1.355 785 I CB -0.382 37.396 38.000 -0.370 0.000 1.046 785 I HN 0.021 nan 8.210 nan 0.000 0.413 786 I N 0.150 120.700 120.570 -0.032 0.000 2.058 786 I HA -0.329 3.828 4.170 -0.020 0.000 0.235 786 I C 2.573 178.740 176.117 0.083 0.000 1.053 786 I CA 1.217 62.537 61.300 0.034 0.000 1.313 786 I CB -0.586 37.413 38.000 -0.002 0.000 1.039 786 I HN 0.181 nan 8.210 nan 0.000 0.396 787 L N 1.353 122.597 121.223 0.036 0.000 2.082 787 L HA -0.270 4.058 4.340 -0.020 0.000 0.223 787 L C 2.171 179.146 176.870 0.174 0.000 1.086 787 L CA 2.509 57.389 54.840 0.068 0.000 0.793 787 L CB -1.335 40.743 42.059 0.032 0.000 0.896 787 L HN 0.344 nan 8.230 nan 0.000 0.441 788 G N -1.157 107.729 108.800 0.143 0.000 2.505 788 G HA2 -0.226 3.722 3.960 -0.020 0.000 0.214 788 G HA3 -0.226 3.722 3.960 -0.020 0.000 0.214 788 G C 1.530 176.570 174.900 0.233 0.000 1.237 788 G CA 0.703 45.923 45.100 0.199 0.000 0.802 788 G HN 0.416 nan 8.290 nan 0.000 0.549 789 L N -0.529 120.794 121.223 0.167 0.000 2.357 789 L HA -0.145 4.182 4.340 -0.020 0.000 0.220 789 L C 2.429 179.400 176.870 0.168 0.000 1.123 789 L CA 1.052 55.983 54.840 0.153 0.000 0.782 789 L CB -0.294 41.880 42.059 0.191 0.000 0.910 789 L HN 0.399 nan 8.230 nan 0.000 0.442 790 Y N -1.212 119.138 120.300 0.084 0.000 2.138 790 Y HA -0.314 4.233 4.550 -0.006 0.000 0.286 790 Y C 2.599 178.570 175.900 0.118 0.000 1.115 790 Y CA 1.549 59.684 58.100 0.057 0.000 1.105 790 Y CB -0.520 37.967 38.460 0.044 0.000 1.004 790 Y HN 0.086 nan 8.280 nan 0.000 0.494 791 Y N 0.887 121.354 120.300 0.279 0.000 2.132 791 Y HA -0.371 4.200 4.550 0.035 0.000 0.280 791 Y C 2.356 178.343 175.900 0.144 0.000 1.193 791 Y CA 2.189 60.449 58.100 0.267 0.000 1.157 791 Y CB -0.584 38.045 38.460 0.281 0.000 0.966 791 Y HN 0.386 nan 8.280 nan 0.000 0.511 792 I N -0.371 120.314 120.570 0.192 0.000 2.546 792 I HA -0.199 3.959 4.170 -0.020 0.000 0.255 792 I C 1.759 177.816 176.117 -0.100 0.000 1.163 792 I CA 2.037 63.352 61.300 0.026 0.000 1.457 792 I CB -0.278 37.648 38.000 -0.123 0.000 1.092 792 I HN 0.495 nan 8.210 nan 0.000 0.434 793 T N -2.301 112.158 114.554 -0.157 0.000 3.022 793 T HA 0.067 4.405 4.350 -0.020 0.000 0.250 793 T C 0.924 175.468 174.700 -0.260 0.000 1.060 793 T CA -0.245 61.724 62.100 -0.219 0.000 1.013 793 T CB -0.123 68.562 68.868 -0.304 0.000 0.982 793 T HN 0.403 nan 8.240 nan 0.000 0.508 794 Q N 1.537 121.157 119.800 -0.300 0.000 2.314 794 Q HA 0.458 4.785 4.340 -0.020 0.000 0.258 794 Q C -0.762 175.210 176.000 -0.047 0.000 0.954 794 Q CA -0.469 55.176 55.803 -0.264 0.000 0.890 794 Q CB 0.983 29.489 28.738 -0.388 0.000 1.210 794 Q HN 0.212 nan 8.270 nan 0.000 0.410 795 V N 3.917 123.813 119.914 -0.030 0.000 2.997 795 V HA 0.496 4.604 4.120 -0.020 0.000 0.311 795 V C 0.090 176.272 176.094 0.147 0.000 1.066 795 V CA -0.545 61.780 62.300 0.043 0.000 1.039 795 V CB 1.451 33.277 31.823 0.005 0.000 1.081 795 V HN 0.906 nan 8.190 nan 0.000 0.467 796 R N 1.927 122.516 120.500 0.148 0.000 2.892 796 R HA 0.808 5.136 4.340 -0.020 0.000 0.265 796 R C -1.352 175.018 176.300 0.115 0.000 1.025 796 R CA -1.109 55.115 56.100 0.207 0.000 0.982 796 R CB 1.877 32.287 30.300 0.183 0.000 1.185 796 R HN 0.765 nan 8.270 nan 0.000 0.484 797 K N 0.139 120.610 120.400 0.118 0.000 2.468 797 K HA 0.356 4.664 4.320 -0.020 0.000 0.252 797 K C -0.649 175.991 176.600 0.067 0.000 0.932 797 K CA -0.874 55.456 56.287 0.072 0.000 0.794 797 K CB 3.021 35.554 32.500 0.056 0.000 1.241 797 K HN 0.791 nan 8.250 nan 0.000 0.428 798 E N 2.150 122.377 120.200 0.044 0.000 3.275 798 E HA 0.146 4.483 4.350 -0.020 0.000 0.182 798 E C -0.810 175.804 176.600 0.023 0.000 1.217 798 E CA -0.194 56.229 56.400 0.039 0.000 1.276 798 E CB 0.904 30.627 29.700 0.038 0.000 1.980 798 E HN 0.473 nan 8.360 nan 0.000 0.516 799 K N 0.714 121.123 120.400 0.016 0.000 2.482 799 K HA 0.284 4.592 4.320 -0.020 0.000 0.251 799 K C -1.602 174.999 176.600 0.002 0.000 0.936 799 K CA -0.611 55.682 56.287 0.010 0.000 0.791 799 K CB 1.757 34.265 32.500 0.014 0.000 1.213 799 K HN -0.041 nan 8.250 nan 0.000 0.428 800 K N 3.299 123.698 120.400 -0.002 0.000 2.357 800 K HA 0.253 4.561 4.320 -0.020 0.000 0.251 800 K C 0.150 176.749 176.600 -0.002 0.000 1.069 800 K CA -0.218 56.063 56.287 -0.009 0.000 0.994 800 K CB 1.013 33.505 32.500 -0.013 0.000 1.411 800 K HN 0.893 nan 8.250 nan 0.000 0.450 801 G N 2.238 111.041 108.800 0.004 0.000 2.688 801 G HA2 0.164 4.112 3.960 -0.020 0.000 0.214 801 G HA3 0.164 4.112 3.960 -0.020 0.000 0.214 801 G C 0.098 175.009 174.900 0.019 0.000 1.211 801 G CA 0.224 45.332 45.100 0.014 0.000 0.853 801 G HN 0.601 nan 8.290 nan 0.000 0.591 802 A N -0.308 122.532 122.820 0.033 0.000 2.269 802 A HA 0.693 5.001 4.320 -0.020 0.000 0.327 802 A C 0.964 178.556 177.584 0.014 0.000 1.112 802 A CA 0.140 52.212 52.037 0.058 0.000 0.865 802 A CB 0.122 19.195 19.000 0.121 0.000 1.227 802 A HN 1.307 nan 8.150 nan 0.000 0.498 803 G N -1.005 107.821 108.800 0.042 0.000 2.472 803 G HA2 0.176 4.124 3.960 -0.020 0.000 0.232 803 G HA3 0.176 4.124 3.960 -0.020 0.000 0.232 803 G C 0.452 175.162 174.900 -0.316 0.000 1.029 803 G CA 0.718 45.787 45.100 -0.053 0.000 0.882 803 G HN 1.741 nan 8.290 nan 0.000 0.455 804 L N -0.607 120.497 121.223 -0.199 0.000 2.959 804 L HA 0.447 4.775 4.340 -0.020 0.000 0.259 804 L C 1.400 178.210 176.870 -0.100 0.000 1.185 804 L CA 0.030 54.764 54.840 -0.178 0.000 0.998 804 L CB 0.344 42.352 42.059 -0.083 0.000 1.337 804 L HN 0.653 nan 8.230 nan 0.000 0.555 805 E N -0.235 119.915 120.200 -0.082 0.000 2.357 805 E HA -0.130 4.207 4.350 -0.020 0.000 0.194 805 E C 1.351 177.977 176.600 0.042 0.000 1.177 805 E CA -0.124 56.272 56.400 -0.006 0.000 0.998 805 E CB -0.424 29.291 29.700 0.025 0.000 1.106 805 E HN 0.574 nan 8.360 nan 0.000 0.470 806 F N 2.079 122.016 119.950 -0.021 0.000 2.202 806 F HA -0.127 4.390 4.527 -0.016 0.000 0.301 806 F C 2.215 178.026 175.800 0.017 0.000 1.082 806 F CA 1.096 59.110 58.000 0.024 0.000 1.313 806 F CB -0.398 38.610 39.000 0.014 0.000 1.024 806 F HN 0.212 nan 8.300 nan 0.000 0.495 807 A N -0.436 122.206 122.820 -0.296 0.000 2.038 807 A HA -0.314 3.993 4.320 -0.020 0.000 0.224 807 A C 2.086 179.385 177.584 -0.475 0.000 1.190 807 A CA 2.887 54.700 52.037 -0.373 0.000 0.668 807 A CB -1.310 17.607 19.000 -0.138 0.000 0.820 807 A HN 0.540 nan 8.150 nan 0.000 0.474 808 T N -2.204 112.132 114.554 -0.364 0.000 3.182 808 T HA 0.213 4.551 4.350 -0.020 0.000 0.244 808 T C -1.735 172.831 174.700 -0.223 0.000 0.981 808 T CA 0.071 62.019 62.100 -0.253 0.000 1.182 808 T CB -0.853 67.938 68.868 -0.128 0.000 1.043 808 T HN 0.282 nan 8.240 nan 0.000 0.424 809 P HA 0.274 nan 4.420 nan 0.000 0.275 809 P C 0.218 177.513 177.300 -0.009 0.000 1.228 809 P CA -0.106 62.964 63.100 -0.050 0.000 0.786 809 P CB 0.679 32.384 31.700 0.009 0.000 0.927 810 E N 0.724 120.941 120.200 0.028 0.000 2.299 810 E HA -0.103 4.235 4.350 -0.020 0.000 0.193 810 E C 1.294 177.951 176.600 0.094 0.000 0.998 810 E CA 0.472 56.927 56.400 0.092 0.000 0.851 810 E CB -0.138 29.596 29.700 0.056 0.000 0.795 810 E HN 0.524 nan 8.360 nan 0.000 0.492 811 E N 0.774 121.007 120.200 0.056 0.000 2.371 811 E HA 0.007 4.345 4.350 -0.020 0.000 0.194 811 E C 1.874 178.490 176.600 0.027 0.000 1.012 811 E CA 0.630 57.046 56.400 0.026 0.000 0.860 811 E CB 0.079 29.780 29.700 0.002 0.000 0.811 811 E HN 0.337 nan 8.360 nan 0.000 0.502 812 A N 0.623 123.508 122.820 0.109 0.000 1.930 812 A HA -0.089 4.218 4.320 -0.020 0.000 0.215 812 A C 2.100 179.893 177.584 0.349 0.000 1.176 812 A CA 0.986 53.165 52.037 0.238 0.000 0.632 812 A CB -0.468 18.698 19.000 0.277 0.000 0.819 812 A HN 0.325 nan 8.150 nan 0.000 0.445 813 L N -1.775 119.681 121.223 0.389 0.000 2.056 813 L HA 0.154 4.482 4.340 -0.020 0.000 0.207 813 L C 2.448 179.363 176.870 0.076 0.000 1.078 813 L CA 1.982 56.984 54.840 0.270 0.000 0.749 813 L CB -1.202 41.033 42.059 0.294 0.000 0.901 813 L HN 0.155 nan 8.230 nan 0.000 0.433 814 A N 0.561 123.417 122.820 0.059 0.000 1.841 814 A HA 0.075 4.383 4.320 -0.020 0.000 0.214 814 A C 2.571 180.133 177.584 -0.036 0.000 1.195 814 A CA 1.948 53.986 52.037 0.001 0.000 0.611 814 A CB -1.306 17.694 19.000 0.001 0.000 0.835 814 A HN 0.557 nan 8.150 nan 0.000 0.443 815 A N -1.046 121.720 122.820 -0.090 0.000 1.883 815 A HA -0.225 4.083 4.320 -0.020 0.000 0.217 815 A C 1.960 179.415 177.584 -0.215 0.000 1.186 815 A CA 1.741 53.657 52.037 -0.202 0.000 0.624 815 A CB -0.944 17.844 19.000 -0.353 0.000 0.822 815 A HN 0.666 nan 8.150 nan 0.000 0.444 816 H N -1.299 117.781 119.070 0.017 0.000 2.547 816 H HA 0.083 4.627 4.556 -0.021 0.000 0.266 816 H C 1.759 177.069 175.328 -0.030 0.000 0.988 816 H CA 1.046 57.096 56.048 0.004 0.000 1.147 816 H CB 0.173 29.951 29.762 0.027 0.000 1.365 816 H HN 0.792 nan 8.280 nan 0.000 0.589 817 E N 1.120 121.339 120.200 0.032 0.000 2.190 817 E HA -0.033 4.305 4.350 -0.020 0.000 0.191 817 E C 1.757 178.343 176.600 -0.024 0.000 0.978 817 E CA 0.099 56.483 56.400 -0.028 0.000 0.839 817 E CB 0.420 30.085 29.700 -0.058 0.000 0.787 817 E HN 0.345 nan 8.360 nan 0.000 0.473 818 R N -0.428 120.061 120.500 -0.019 0.000 2.100 818 R HA 0.092 4.419 4.340 -0.020 0.000 0.220 818 R C 2.458 178.756 176.300 -0.003 0.000 1.091 818 R CA 0.867 56.958 56.100 -0.015 0.000 0.986 818 R CB -0.272 30.014 30.300 -0.023 0.000 0.888 818 R HN 0.109 nan 8.270 nan 0.000 0.444 819 G N 1.405 110.207 108.800 0.004 0.000 2.432 819 G HA2 -0.281 3.666 3.960 -0.020 0.000 0.219 819 G HA3 -0.281 3.666 3.960 -0.020 0.000 0.219 819 G C 1.345 176.268 174.900 0.038 0.000 1.135 819 G CA 0.417 45.533 45.100 0.027 0.000 0.767 819 G HN 0.253 nan 8.290 nan 0.000 0.550 820 E N 0.559 120.779 120.200 0.034 0.000 2.112 820 E HA -0.056 4.282 4.350 -0.020 0.000 0.190 820 E C 2.646 179.252 176.600 0.011 0.000 0.979 820 E CA 0.616 57.027 56.400 0.019 0.000 0.814 820 E CB -0.103 29.594 29.700 -0.004 0.000 0.762 820 E HN 0.260 nan 8.360 nan 0.000 0.460 821 V N 1.803 121.721 119.914 0.006 0.000 2.407 821 V HA -0.211 3.897 4.120 -0.020 0.000 0.248 821 V C 2.055 178.158 176.094 0.016 0.000 1.055 821 V CA 1.411 63.717 62.300 0.010 0.000 1.049 821 V CB -0.881 30.945 31.823 0.005 0.000 0.662 821 V HN 0.333 nan 8.190 nan 0.000 0.455 822 A N -0.086 122.743 122.820 0.015 0.000 2.847 822 A HA 0.224 4.532 4.320 -0.020 0.000 0.194 822 A C 1.220 178.817 177.584 0.021 0.000 1.893 822 A CA 0.979 53.026 52.037 0.017 0.000 0.983 822 A CB -0.234 18.775 19.000 0.015 0.000 1.762 822 A HN 0.346 nan 8.150 nan 0.000 0.802 823 L N -1.115 120.122 121.223 0.022 0.000 2.858 823 L HA 0.223 4.550 4.340 -0.020 0.000 0.251 823 L C 1.858 178.744 176.870 0.027 0.000 1.149 823 L CA 0.133 54.988 54.840 0.024 0.000 0.955 823 L CB -0.204 41.868 42.059 0.022 0.000 1.289 823 L HN 0.713 nan 8.230 nan 0.000 0.542 824 N N 0.887 119.605 118.700 0.031 0.000 2.197 824 N HA 0.068 4.795 4.740 -0.020 0.000 0.184 824 N C 0.789 176.322 175.510 0.039 0.000 1.030 824 N CA 0.552 53.624 53.050 0.037 0.000 0.851 824 N CB 0.414 38.929 38.487 0.047 0.000 1.003 824 N HN 0.236 nan 8.380 nan 0.000 0.430 825 A N 1.848 124.696 122.820 0.047 0.000 2.274 825 A HA 0.516 4.823 4.320 -0.020 0.000 0.309 825 A C -2.430 175.165 177.584 0.019 0.000 1.226 825 A CA -1.307 50.752 52.037 0.036 0.000 0.853 825 A CB 1.048 20.085 19.000 0.062 0.000 1.146 825 A HN 0.116 nan 8.150 nan 0.000 0.518 826 P HA 0.267 nan 4.420 nan 0.000 0.275 826 P C 0.742 178.042 177.300 -0.001 0.000 1.266 826 P CA -0.449 62.658 63.100 0.012 0.000 0.793 826 P CB 0.548 32.257 31.700 0.016 0.000 1.074 827 I N -0.569 120.006 120.570 0.008 0.000 2.761 827 I HA -0.105 4.052 4.170 -0.020 0.000 0.261 827 I C 0.820 176.934 176.117 -0.004 0.000 1.198 827 I CA 1.160 62.456 61.300 -0.007 0.000 1.482 827 I CB -0.490 37.535 38.000 0.041 0.000 1.100 827 I HN 0.269 nan 8.210 nan 0.000 0.445 828 K N 1.805 122.213 120.400 0.014 0.000 2.478 828 K HA 0.616 4.924 4.320 -0.020 0.000 0.236 828 K C -1.144 175.463 176.600 0.013 0.000 1.021 828 K CA -0.421 55.878 56.287 0.020 0.000 1.010 828 K CB 1.357 33.880 32.500 0.039 0.000 1.331 828 K HN -0.164 nan 8.250 nan 0.000 0.470 829 V N 0.937 120.850 119.914 -0.000 0.000 2.823 829 V HA 0.500 4.608 4.120 -0.020 0.000 0.312 829 V C 0.198 176.288 176.094 -0.007 0.000 1.072 829 V CA -1.313 60.982 62.300 -0.008 0.000 0.937 829 V CB 1.831 33.638 31.823 -0.027 0.000 1.013 829 V HN 0.775 nan 8.190 nan 0.000 0.430 830 A N 2.670 125.486 122.820 -0.008 0.000 2.897 830 A HA 0.546 4.854 4.320 -0.020 0.000 0.287 830 A C 0.725 178.299 177.584 -0.015 0.000 1.748 830 A CA 0.565 52.599 52.037 -0.006 0.000 1.397 830 A CB -0.999 17.998 19.000 -0.005 0.000 1.049 830 A HN 1.219 nan 8.150 nan 0.000 0.592 831 G N 0.862 109.658 108.800 -0.005 0.000 2.478 831 G HA2 0.439 4.387 3.960 -0.020 0.000 0.317 831 G HA3 0.439 4.387 3.960 -0.020 0.000 0.317 831 G C 0.542 175.460 174.900 0.031 0.000 1.259 831 G CA -0.652 44.451 45.100 0.005 0.000 0.933 831 G HN 0.640 nan 8.290 nan 0.000 0.478 832 R N 1.411 121.930 120.500 0.031 0.000 2.075 832 R HA -0.029 4.299 4.340 -0.020 0.000 0.232 832 R C 2.051 178.384 176.300 0.055 0.000 1.126 832 R CA 1.884 58.003 56.100 0.031 0.000 0.963 832 R CB 0.106 30.416 30.300 0.017 0.000 0.858 832 R HN 0.676 nan 8.270 nan 0.000 0.435 833 E N -1.353 118.902 120.200 0.092 0.000 2.127 833 E HA 0.016 4.354 4.350 -0.020 0.000 0.191 833 E C -0.299 176.392 176.600 0.151 0.000 0.964 833 E CA 1.184 57.658 56.400 0.123 0.000 0.832 833 E CB 0.774 30.557 29.700 0.139 0.000 0.790 833 E HN 0.300 nan 8.360 nan 0.000 0.465 834 T N -0.998 113.672 114.554 0.193 0.000 3.237 834 T HA 0.322 4.660 4.350 -0.020 0.000 0.319 834 T C -0.326 174.385 174.700 0.018 0.000 1.037 834 T CA -0.910 61.238 62.100 0.080 0.000 1.048 834 T CB 1.435 70.293 68.868 -0.016 0.000 1.081 834 T HN 0.037 nan 8.240 nan 0.000 0.455 835 S N 2.402 118.095 115.700 -0.012 0.000 2.585 835 S HA 0.260 4.718 4.470 -0.020 0.000 0.273 835 S C 1.729 176.268 174.600 -0.101 0.000 1.339 835 S CA -0.159 58.017 58.200 -0.038 0.000 1.028 835 S CB 1.220 64.406 63.200 -0.022 0.000 0.906 835 S HN 1.460 nan 8.310 nan 0.000 0.528 836 V N 3.227 123.076 119.914 -0.109 0.000 2.764 836 V HA -0.091 4.016 4.120 -0.020 0.000 0.261 836 V C 2.022 177.979 176.094 -0.228 0.000 1.108 836 V CA 2.602 64.803 62.300 -0.165 0.000 1.129 836 V CB -1.492 30.271 31.823 -0.100 0.000 0.701 836 V HN 1.081 nan 8.190 nan 0.000 0.495 837 G N -0.295 108.403 108.800 -0.170 0.000 2.448 837 G HA2 -0.216 3.731 3.960 -0.020 0.000 0.219 837 G HA3 -0.216 3.731 3.960 -0.020 0.000 0.219 837 G C 1.683 176.461 174.900 -0.203 0.000 1.127 837 G CA 0.768 45.752 45.100 -0.194 0.000 0.766 837 G HN 0.568 nan 8.290 nan 0.000 0.552 838 R N -0.898 119.515 120.500 -0.145 0.000 2.173 838 R HA 0.267 4.594 4.340 -0.020 0.000 0.208 838 R C 2.374 178.562 176.300 -0.187 0.000 1.035 838 R CA 0.066 56.105 56.100 -0.101 0.000 1.004 838 R CB -0.292 29.974 30.300 -0.057 0.000 0.917 838 R HN 0.297 nan 8.270 nan 0.000 0.462 839 L N 1.510 122.562 121.223 -0.285 0.000 2.017 839 L HA -0.163 4.164 4.340 -0.020 0.000 0.208 839 L C 2.243 178.933 176.870 -0.301 0.000 1.073 839 L CA 1.744 56.381 54.840 -0.338 0.000 0.745 839 L CB -0.104 41.713 42.059 -0.404 0.000 0.894 839 L HN -0.002 nan 8.230 nan 0.000 0.432 840 K N -1.435 118.711 120.400 -0.424 0.000 2.026 840 K HA -0.110 4.197 4.320 -0.020 0.000 0.208 840 K C -0.337 176.067 176.600 -0.327 0.000 1.048 840 K CA 1.195 57.172 56.287 -0.517 0.000 0.929 840 K CB -0.057 31.808 32.500 -1.059 0.000 0.713 840 K HN 0.249 nan 8.250 nan 0.000 0.439 841 Y N -0.161 120.063 120.300 -0.125 0.000 2.376 841 Y HA 0.448 4.980 4.550 -0.030 0.000 0.340 841 Y C -0.669 175.054 175.900 -0.296 0.000 0.965 841 Y CA -1.513 56.431 58.100 -0.260 0.000 1.078 841 Y CB 1.816 40.172 38.460 -0.172 0.000 1.193 841 Y HN -0.379 nan 8.280 nan 0.000 0.452 842 V N 4.065 123.784 119.914 -0.325 0.000 2.525 842 V HA 0.379 4.486 4.120 -0.020 0.000 0.299 842 V C -1.033 174.811 176.094 -0.416 0.000 1.034 842 V CA -1.094 61.066 62.300 -0.233 0.000 0.863 842 V CB 1.204 32.963 31.823 -0.107 0.000 0.999 842 V HN 0.551 nan 8.190 nan 0.000 0.423 843 F N 2.484 122.481 119.950 0.077 0.000 2.411 843 F HA 0.713 5.241 4.527 0.001 0.000 0.352 843 F C 1.157 176.986 175.800 0.048 0.000 1.123 843 F CA -0.187 57.849 58.000 0.061 0.000 1.044 843 F CB 1.881 40.921 39.000 0.067 0.000 1.135 843 F HN 0.599 nan 8.300 nan 0.000 0.461 844 A N 2.890 125.812 122.820 0.170 0.000 1.823 844 A HA -0.095 4.213 4.320 -0.020 0.000 0.214 844 A C 1.070 178.710 177.584 0.094 0.000 1.227 844 A CA 1.106 53.203 52.037 0.099 0.000 0.616 844 A CB -0.562 18.473 19.000 0.059 0.000 0.874 844 A HN 0.651 nan 8.150 nan 0.000 0.455 845 N N -0.430 118.317 118.700 0.079 0.000 2.424 845 N HA 0.312 5.040 4.740 -0.020 0.000 0.257 845 N C -1.951 173.587 175.510 0.046 0.000 1.250 845 N CA -1.771 51.297 53.050 0.029 0.000 0.946 845 N CB 0.612 39.108 38.487 0.016 0.000 1.175 845 N HN -0.068 nan 8.380 nan 0.000 0.477 846 P HA -0.098 nan 4.420 nan 0.000 0.213 846 P C 0.099 177.416 177.300 0.028 0.000 1.170 846 P CA 1.545 64.655 63.100 0.018 0.000 0.898 846 P CB 0.116 31.791 31.700 -0.041 0.000 0.787 847 D N -0.225 120.188 120.400 0.022 0.000 2.133 847 D HA -0.215 4.413 4.640 -0.020 0.000 0.195 847 D C 1.821 178.135 176.300 0.023 0.000 0.997 847 D CA 1.078 55.094 54.000 0.027 0.000 0.840 847 D CB -0.914 39.905 40.800 0.033 0.000 0.947 847 D HN 0.282 nan 8.370 nan 0.000 0.452 848 E N 0.280 120.519 120.200 0.064 0.000 2.136 848 E HA -0.318 4.020 4.350 -0.020 0.000 0.202 848 E C 2.194 178.808 176.600 0.023 0.000 1.019 848 E CA 1.232 57.717 56.400 0.142 0.000 0.819 848 E CB -0.201 29.659 29.700 0.266 0.000 0.739 848 E HN 0.379 nan 8.360 nan 0.000 0.458 849 A N 0.525 123.190 122.820 -0.258 0.000 1.883 849 A HA -0.205 4.102 4.320 -0.020 0.000 0.217 849 A C 2.066 179.303 177.584 -0.578 0.000 1.186 849 A CA 1.514 52.953 52.037 -0.996 0.000 0.624 849 A CB -0.491 18.145 19.000 -0.605 0.000 0.822 849 A HN 0.146 nan 8.150 nan 0.000 0.444 850 L N -0.261 120.826 121.223 -0.226 0.000 2.240 850 L HA -0.010 4.318 4.340 -0.020 0.000 0.211 850 L C 2.299 179.146 176.870 -0.039 0.000 1.106 850 L CA 0.796 55.577 54.840 -0.100 0.000 0.793 850 L CB -0.709 41.342 42.059 -0.013 0.000 0.927 850 L HN 0.335 nan 8.230 nan 0.000 0.446 851 L N -0.326 120.897 121.223 -0.001 0.000 2.017 851 L HA -0.176 4.151 4.340 -0.020 0.000 0.208 851 L C 2.812 179.768 176.870 0.144 0.000 1.073 851 L CA 1.261 56.154 54.840 0.089 0.000 0.745 851 L CB -1.151 40.986 42.059 0.131 0.000 0.894 851 L HN 0.285 nan 8.230 nan 0.000 0.432 852 A N 0.097 122.981 122.820 0.106 0.000 1.940 852 A HA -0.132 4.175 4.320 -0.020 0.000 0.219 852 A C 2.382 180.002 177.584 0.061 0.000 1.176 852 A CA 1.828 53.941 52.037 0.127 0.000 0.631 852 A CB -0.824 18.310 19.000 0.223 0.000 0.814 852 A HN 0.215 nan 8.150 nan 0.000 0.446 853 V N -0.210 119.698 119.914 -0.009 0.000 2.295 853 V HA -0.251 3.856 4.120 -0.020 0.000 0.246 853 V C 3.058 179.159 176.094 0.011 0.000 1.049 853 V CA 1.937 64.233 62.300 -0.008 0.000 1.024 853 V CB -1.320 30.490 31.823 -0.021 0.000 0.648 853 V HN 0.614 nan 8.190 nan 0.000 0.447 854 A N -1.156 121.663 122.820 -0.001 0.000 1.940 854 A HA -0.256 4.052 4.320 -0.020 0.000 0.219 854 A C 2.048 179.566 177.584 -0.110 0.000 1.176 854 A CA 1.748 53.747 52.037 -0.063 0.000 0.631 854 A CB -0.757 18.179 19.000 -0.106 0.000 0.814 854 A HN 0.675 nan 8.150 nan 0.000 0.446 855 H N -1.166 117.904 119.070 0.001 0.000 2.547 855 H HA 0.180 4.721 4.556 -0.025 0.000 0.266 855 H C 1.591 176.916 175.328 -0.005 0.000 0.988 855 H CA 0.739 56.787 56.048 0.000 0.000 1.147 855 H CB -0.080 29.684 29.762 0.002 0.000 1.365 855 H HN 0.657 nan 8.280 nan 0.000 0.589 856 G N 1.031 109.876 108.800 0.074 0.000 2.137 856 G HA2 -0.228 3.720 3.960 -0.020 0.000 0.237 856 G HA3 -0.228 3.720 3.960 -0.020 0.000 0.237 856 G C 1.028 175.945 174.900 0.029 0.000 1.002 856 G CA 0.436 45.563 45.100 0.045 0.000 0.702 856 G HN 0.298 nan 8.290 nan 0.000 0.515 857 I N -0.250 120.327 120.570 0.011 0.000 2.339 857 I HA 0.134 4.292 4.170 -0.020 0.000 0.245 857 I C 1.469 177.524 176.117 -0.103 0.000 1.096 857 I CA 1.725 62.977 61.300 -0.080 0.000 1.408 857 I CB -0.963 36.954 38.000 -0.139 0.000 1.092 857 I HN 0.439 nan 8.210 nan 0.000 0.423 858 V N -0.730 119.155 119.914 -0.048 0.000 2.638 858 V HA 0.517 4.625 4.120 -0.020 0.000 0.306 858 V C -0.712 175.391 176.094 0.015 0.000 1.052 858 V CA -1.118 61.186 62.300 0.006 0.000 0.885 858 V CB 2.198 34.040 31.823 0.033 0.000 0.999 858 V HN 0.060 nan 8.190 nan 0.000 0.424 859 D N 2.882 123.299 120.400 0.029 0.000 2.354 859 D HA 0.344 4.972 4.640 -0.020 0.000 0.247 859 D C 1.180 177.483 176.300 0.005 0.000 1.138 859 D CA -0.406 53.603 54.000 0.015 0.000 0.958 859 D CB 2.635 43.434 40.800 -0.002 0.000 1.144 859 D HN 0.480 nan 8.370 nan 0.000 0.458 860 L N 0.320 121.549 121.223 0.009 0.000 2.046 860 L HA -0.237 4.091 4.340 -0.020 0.000 0.208 860 L C 2.435 179.282 176.870 -0.039 0.000 1.077 860 L CA 1.267 56.109 54.840 0.002 0.000 0.747 860 L CB -0.346 41.744 42.059 0.051 0.000 0.896 860 L HN 0.405 nan 8.230 nan 0.000 0.432 861 Q N -1.059 118.687 119.800 -0.089 0.000 2.482 861 Q HA 0.017 4.345 4.340 -0.020 0.000 0.209 861 Q C -0.151 175.835 176.000 -0.023 0.000 0.961 861 Q CA 0.171 55.921 55.803 -0.089 0.000 0.945 861 Q CB -0.229 28.396 28.738 -0.189 0.000 1.012 861 Q HN 0.361 nan 8.270 nan 0.000 0.515 862 D N 1.775 122.175 120.400 0.000 0.000 2.313 862 D HA 0.170 4.797 4.640 -0.020 0.000 0.247 862 D C -0.375 175.966 176.300 0.069 0.000 1.094 862 D CA -0.420 53.609 54.000 0.047 0.000 0.925 862 D CB 1.789 42.640 40.800 0.085 0.000 1.188 862 D HN -0.064 nan 8.370 nan 0.000 0.430 863 V N 1.380 121.342 119.914 0.079 0.000 2.389 863 V HA 0.433 4.540 4.120 -0.020 0.000 0.264 863 V C 0.526 176.695 176.094 0.125 0.000 1.049 863 V CA -0.467 61.881 62.300 0.080 0.000 0.932 863 V CB 0.463 32.318 31.823 0.055 0.000 1.011 863 V HN 0.242 nan 8.190 nan 0.000 0.475 864 V N 2.652 122.660 119.914 0.156 0.000 3.156 864 V HA 0.721 4.828 4.120 -0.020 0.000 0.310 864 V C 0.070 176.292 176.094 0.213 0.000 1.234 864 V CA -0.759 61.685 62.300 0.240 0.000 1.065 864 V CB 2.351 34.436 31.823 0.436 0.000 1.088 864 V HN 0.831 nan 8.190 nan 0.000 0.451 865 T N -0.096 114.614 114.554 0.259 0.000 2.823 865 T HA 0.851 5.188 4.350 -0.020 0.000 0.279 865 T C -0.654 174.224 174.700 0.296 0.000 0.998 865 T CA -0.607 61.620 62.100 0.210 0.000 0.994 865 T CB 1.604 70.548 68.868 0.128 0.000 0.960 865 T HN 0.589 nan 8.240 nan 0.000 0.448 866 V N 1.626 121.687 119.914 0.245 0.000 3.114 866 V HA 0.630 4.738 4.120 -0.020 0.000 0.308 866 V C -0.417 175.804 176.094 0.212 0.000 1.168 866 V CA -1.310 61.148 62.300 0.265 0.000 1.015 866 V CB 2.440 34.418 31.823 0.258 0.000 1.050 866 V HN 0.950 nan 8.190 nan 0.000 0.433 867 R N 1.424 122.036 120.500 0.185 0.000 2.265 867 R HA 0.523 4.851 4.340 -0.020 0.000 0.328 867 R C -1.749 174.618 176.300 0.110 0.000 0.969 867 R CA -0.200 55.977 56.100 0.129 0.000 0.832 867 R CB 0.964 31.311 30.300 0.079 0.000 1.139 867 R HN 0.780 nan 8.270 nan 0.000 0.457 868 Y N 3.031 123.320 120.300 -0.019 0.000 2.862 868 Y HA 0.194 4.728 4.550 -0.026 0.000 0.347 868 Y C 1.817 177.634 175.900 -0.139 0.000 1.234 868 Y CA -0.451 57.587 58.100 -0.104 0.000 1.204 868 Y CB 0.777 39.089 38.460 -0.247 0.000 1.464 868 Y HN 0.512 nan 8.280 nan 0.000 0.710 869 M N -0.191 119.380 119.600 -0.049 0.000 2.116 869 M HA -0.260 4.208 4.480 -0.020 0.000 0.255 869 M C 1.405 177.673 176.300 -0.052 0.000 1.075 869 M CA 2.625 57.873 55.300 -0.087 0.000 1.087 869 M CB -0.629 31.933 32.600 -0.063 0.000 1.340 869 M HN 0.832 nan 8.290 nan 0.000 0.402 870 G N -1.182 107.601 108.800 -0.028 0.000 2.849 870 G HA2 0.183 4.131 3.960 -0.020 0.000 0.202 870 G HA3 0.183 4.131 3.960 -0.020 0.000 0.202 870 G C 0.229 175.134 174.900 0.008 0.000 1.138 870 G CA -0.357 44.733 45.100 -0.017 0.000 0.692 870 G HN 0.189 nan 8.290 nan 0.000 0.786 871 K N 0.710 121.123 120.400 0.022 0.000 2.340 871 K HA 0.483 4.791 4.320 -0.020 0.000 0.244 871 K C -0.601 176.044 176.600 0.074 0.000 0.973 871 K CA -0.846 55.467 56.287 0.043 0.000 0.828 871 K CB 2.179 34.704 32.500 0.042 0.000 1.226 871 K HN -0.012 nan 8.250 nan 0.000 0.437 872 R N 2.094 122.638 120.500 0.074 0.000 2.457 872 R HA 0.047 4.375 4.340 -0.020 0.000 0.335 872 R C -0.493 175.872 176.300 0.108 0.000 1.003 872 R CA 0.206 56.362 56.100 0.092 0.000 1.003 872 R CB -0.523 29.823 30.300 0.077 0.000 0.950 872 R HN 0.259 nan 8.270 nan 0.000 0.428 873 L N 3.563 124.871 121.223 0.141 0.000 2.280 873 L HA 0.218 4.545 4.340 -0.020 0.000 0.287 873 L C 0.134 177.089 176.870 0.142 0.000 1.023 873 L CA -0.449 54.480 54.840 0.148 0.000 0.819 873 L CB 1.530 43.710 42.059 0.203 0.000 1.212 873 L HN 0.448 nan 8.230 nan 0.000 0.420 874 E N 3.072 123.339 120.200 0.111 0.000 1.858 874 E HA 0.195 4.533 4.350 -0.020 0.000 0.267 874 E C -0.685 175.966 176.600 0.085 0.000 1.215 874 E CA 0.032 56.491 56.400 0.099 0.000 0.952 874 E CB 0.182 29.928 29.700 0.077 0.000 1.058 874 E HN 0.470 nan 8.360 nan 0.000 0.407 875 T N 0.596 115.209 114.554 0.098 0.000 2.933 875 T HA 0.249 4.587 4.350 -0.020 0.000 0.305 875 T C -0.076 174.661 174.700 0.062 0.000 1.092 875 T CA -1.017 61.119 62.100 0.061 0.000 1.008 875 T CB 1.622 70.523 68.868 0.054 0.000 1.102 875 T HN 0.390 nan 8.240 nan 0.000 0.469 876 S N 2.328 118.043 115.700 0.025 0.000 2.587 876 S HA 0.188 4.646 4.470 -0.020 0.000 0.260 876 S C -1.671 172.931 174.600 0.004 0.000 1.353 876 S CA -0.619 57.593 58.200 0.020 0.000 0.995 876 S CB 0.346 63.541 63.200 -0.009 0.000 0.912 876 S HN 0.362 nan 8.310 nan 0.000 0.568 877 P HA 0.036 nan 4.420 nan 0.000 0.213 877 P C 1.794 179.085 177.300 -0.016 0.000 1.170 877 P CA 1.735 64.812 63.100 -0.039 0.000 0.898 877 P CB -0.617 31.050 31.700 -0.055 0.000 0.787 878 G N 0.271 109.058 108.800 -0.022 0.000 2.529 878 G HA2 -0.303 3.645 3.960 -0.020 0.000 0.219 878 G HA3 -0.303 3.645 3.960 -0.020 0.000 0.219 878 G C 1.596 176.473 174.900 -0.038 0.000 1.177 878 G CA 0.877 45.955 45.100 -0.037 0.000 0.773 878 G HN 0.234 nan 8.290 nan 0.000 0.573 879 R N -0.489 119.975 120.500 -0.060 0.000 2.120 879 R HA 0.042 4.370 4.340 -0.020 0.000 0.234 879 R C 2.378 178.664 176.300 -0.023 0.000 1.123 879 R CA 0.770 56.818 56.100 -0.087 0.000 0.975 879 R CB -0.365 29.854 30.300 -0.136 0.000 0.866 879 R HN 0.294 nan 8.270 nan 0.000 0.446 880 I N 1.072 121.653 120.570 0.019 0.000 2.439 880 I HA -0.174 3.984 4.170 -0.020 0.000 0.251 880 I C 1.972 178.153 176.117 0.106 0.000 1.139 880 I CA 0.934 62.289 61.300 0.092 0.000 1.438 880 I CB -0.381 37.694 38.000 0.125 0.000 1.085 880 I HN 0.134 nan 8.210 nan 0.000 0.427 881 L N 0.338 121.597 121.223 0.060 0.000 2.072 881 L HA -0.184 4.143 4.340 -0.020 0.000 0.205 881 L C 2.377 179.236 176.870 -0.017 0.000 1.079 881 L CA 1.694 56.556 54.840 0.037 0.000 0.752 881 L CB -1.211 40.862 42.059 0.023 0.000 0.906 881 L HN 0.208 nan 8.230 nan 0.000 0.436 882 F N 0.481 120.328 119.950 -0.172 0.000 2.120 882 F HA -0.320 4.186 4.527 -0.034 0.000 0.300 882 F C 2.301 177.992 175.800 -0.183 0.000 1.095 882 F CA 1.993 59.866 58.000 -0.212 0.000 1.249 882 F CB -0.484 38.382 39.000 -0.223 0.000 0.995 882 F HN 0.196 nan 8.300 nan 0.000 0.480 883 A N 0.875 123.780 122.820 0.141 0.000 1.869 883 A HA -0.324 3.983 4.320 -0.020 0.000 0.218 883 A C 2.373 179.969 177.584 0.020 0.000 1.203 883 A CA 2.261 54.319 52.037 0.035 0.000 0.638 883 A CB -1.152 17.868 19.000 0.033 0.000 0.831 883 A HN 0.546 nan 8.150 nan 0.000 0.450 884 R N -0.170 120.365 120.500 0.058 0.000 2.091 884 R HA -0.126 4.202 4.340 -0.020 0.000 0.238 884 R C 2.032 178.262 176.300 -0.117 0.000 1.136 884 R CA 1.828 57.952 56.100 0.041 0.000 0.959 884 R CB -0.508 29.832 30.300 0.068 0.000 0.856 884 R HN 0.580 nan 8.270 nan 0.000 0.437 885 I N 0.641 121.035 120.570 -0.294 0.000 2.145 885 I HA -0.323 3.835 4.170 -0.020 0.000 0.244 885 I C 2.287 178.164 176.117 -0.399 0.000 1.075 885 I CA 1.561 62.553 61.300 -0.512 0.000 1.332 885 I CB -0.343 37.183 38.000 -0.789 0.000 1.033 885 I HN 0.095 nan 8.210 nan 0.000 0.410 886 V N 0.911 120.587 119.914 -0.397 0.000 2.323 886 V HA -0.186 3.921 4.120 -0.020 0.000 0.244 886 V C 2.754 178.794 176.094 -0.090 0.000 1.041 886 V CA 1.687 63.840 62.300 -0.245 0.000 1.025 886 V CB -1.092 30.604 31.823 -0.213 0.000 0.656 886 V HN 0.477 nan 8.190 nan 0.000 0.451 887 A N -0.276 122.527 122.820 -0.028 0.000 1.986 887 A HA -0.305 4.003 4.320 -0.020 0.000 0.220 887 A C 2.191 179.796 177.584 0.034 0.000 1.171 887 A CA 2.395 54.472 52.037 0.067 0.000 0.640 887 A CB -0.441 18.659 19.000 0.166 0.000 0.811 887 A HN 0.622 nan 8.150 nan 0.000 0.451 888 E N -0.860 119.333 120.200 -0.012 0.000 2.060 888 E HA 0.150 4.488 4.350 -0.020 0.000 0.189 888 E C 2.341 178.930 176.600 -0.019 0.000 0.974 888 E CA 0.738 57.133 56.400 -0.009 0.000 0.808 888 E CB -0.291 29.397 29.700 -0.020 0.000 0.768 888 E HN 0.527 nan 8.360 nan 0.000 0.453 889 A N 0.591 123.380 122.820 -0.053 0.000 1.909 889 A HA -0.184 4.124 4.320 -0.020 0.000 0.221 889 A C 1.036 178.611 177.584 -0.016 0.000 1.223 889 A CA 1.538 53.554 52.037 -0.035 0.000 0.658 889 A CB -0.486 18.477 19.000 -0.061 0.000 0.831 889 A HN 0.131 nan 8.150 nan 0.000 0.462 890 V N -0.014 119.893 119.914 -0.012 0.000 2.350 890 V HA 0.350 4.457 4.120 -0.020 0.000 0.285 890 V C -0.362 175.740 176.094 0.014 0.000 1.014 890 V CA -0.562 61.737 62.300 -0.000 0.000 0.831 890 V CB 1.295 33.120 31.823 0.003 0.000 1.000 890 V HN 0.484 nan 8.190 nan 0.000 0.433 891 E N 3.151 123.359 120.200 0.014 0.000 2.001 891 E HA 0.413 4.750 4.350 -0.020 0.000 0.279 891 E C -1.014 175.603 176.600 0.028 0.000 1.045 891 E CA -0.037 56.378 56.400 0.026 0.000 0.833 891 E CB 0.492 30.205 29.700 0.022 0.000 1.077 891 E HN 0.768 nan 8.360 nan 0.000 0.397 892 D N 3.091 123.518 120.400 0.044 0.000 3.888 892 D HA -0.018 4.609 4.640 -0.020 0.000 0.271 892 D C 0.538 176.888 176.300 0.084 0.000 1.399 892 D CA -0.156 53.875 54.000 0.052 0.000 0.775 892 D CB 0.155 40.979 40.800 0.040 0.000 1.356 892 D HN 0.581 nan 8.370 nan 0.000 0.753 893 E N 0.703 120.964 120.200 0.100 0.000 2.200 893 E HA -0.348 3.990 4.350 -0.020 0.000 0.211 893 E C 1.559 178.280 176.600 0.203 0.000 1.048 893 E CA 1.504 58.002 56.400 0.164 0.000 0.851 893 E CB 0.283 30.074 29.700 0.151 0.000 0.747 893 E HN 0.214 nan 8.360 nan 0.000 0.462 894 K N -0.484 119.995 120.400 0.131 0.000 2.155 894 K HA -0.051 4.256 4.320 -0.020 0.000 0.203 894 K C 1.825 178.521 176.600 0.161 0.000 1.052 894 K CA 0.987 57.350 56.287 0.127 0.000 0.948 894 K CB 0.296 32.833 32.500 0.062 0.000 0.728 894 K HN 0.069 nan 8.250 nan 0.000 0.448 895 V N 0.626 120.615 119.914 0.125 0.000 3.141 895 V HA -0.094 4.013 4.120 -0.020 0.000 0.265 895 V C 2.001 178.169 176.094 0.123 0.000 1.126 895 V CA 1.490 63.855 62.300 0.108 0.000 1.141 895 V CB -0.096 31.770 31.823 0.072 0.000 0.743 895 V HN 0.322 nan 8.190 nan 0.000 0.492 896 A N -1.303 121.613 122.820 0.160 0.000 1.975 896 A HA -0.076 4.232 4.320 -0.020 0.000 0.215 896 A C 1.847 179.522 177.584 0.152 0.000 1.170 896 A CA 0.684 52.807 52.037 0.143 0.000 0.656 896 A CB -0.491 18.599 19.000 0.151 0.000 0.821 896 A HN 0.593 nan 8.150 nan 0.000 0.449 897 W N 0.672 121.977 121.300 0.008 0.000 2.476 897 W HA 0.064 4.711 4.660 -0.022 0.000 0.281 897 W C 2.175 178.686 176.519 -0.014 0.000 1.230 897 W CA 1.174 58.503 57.345 -0.027 0.000 1.287 897 W CB 0.038 29.458 29.460 -0.066 0.000 1.108 897 W HN 0.422 nan 8.180 nan 0.000 0.567 898 E N 0.092 120.434 120.200 0.237 0.000 2.058 898 E HA -0.204 4.134 4.350 -0.020 0.000 0.194 898 E C 1.600 178.248 176.600 0.081 0.000 0.997 898 E CA 1.645 58.132 56.400 0.145 0.000 0.801 898 E CB -0.550 29.221 29.700 0.118 0.000 0.746 898 E HN 0.231 nan 8.360 nan 0.000 0.450 899 L N -0.470 120.794 121.223 0.069 0.000 2.629 899 L HA 0.314 4.642 4.340 -0.020 0.000 0.230 899 L C 0.618 177.496 176.870 0.013 0.000 1.151 899 L CA 0.084 54.954 54.840 0.051 0.000 0.924 899 L CB -0.552 41.553 42.059 0.077 0.000 1.137 899 L HN -0.013 nan 8.230 nan 0.000 0.457 900 I N -1.903 118.639 120.570 -0.047 0.000 2.646 900 I HA 0.638 4.796 4.170 -0.020 0.000 0.299 900 I C -0.846 175.145 176.117 -0.211 0.000 1.036 900 I CA -0.912 60.318 61.300 -0.117 0.000 1.074 900 I CB 1.929 39.849 38.000 -0.133 0.000 1.258 900 I HN 0.138 nan 8.210 nan 0.000 0.430 901 Q N 5.764 125.421 119.800 -0.238 0.000 2.462 901 Q HA 0.390 4.718 4.340 -0.020 0.000 0.247 901 Q C -0.258 175.530 176.000 -0.353 0.000 1.044 901 Q CA -0.714 54.938 55.803 -0.252 0.000 0.803 901 Q CB 1.357 29.988 28.738 -0.180 0.000 1.190 901 Q HN 0.805 nan 8.270 nan 0.000 0.507 902 L N -2.106 118.875 121.223 -0.404 0.000 2.627 902 L HA 0.268 4.595 4.340 -0.020 0.000 0.232 902 L C 0.142 176.840 176.870 -0.285 0.000 1.150 902 L CA 0.432 55.020 54.840 -0.420 0.000 0.917 902 L CB -0.110 41.655 42.059 -0.490 0.000 1.104 902 L HN 0.253 nan 8.230 nan 0.000 0.445 903 D N 0.530 120.794 120.400 -0.227 0.000 2.340 903 D HA 0.174 4.802 4.640 -0.020 0.000 0.220 903 D C 0.430 176.638 176.300 -0.154 0.000 1.039 903 D CA 0.658 54.566 54.000 -0.152 0.000 0.866 903 D CB 0.558 41.292 40.800 -0.109 0.000 0.913 903 D HN 0.382 nan 8.370 nan 0.000 0.523 904 V N -4.036 115.753 119.914 -0.208 0.000 3.204 904 V HA 0.511 4.619 4.120 -0.020 0.000 0.298 904 V C -2.990 172.938 176.094 -0.277 0.000 1.328 904 V CA -2.477 59.705 62.300 -0.197 0.000 1.035 904 V CB 1.780 33.514 31.823 -0.148 0.000 1.095 904 V HN -0.368 nan 8.190 nan 0.000 0.442 905 P HA 0.221 nan 4.420 nan 0.000 0.267 905 P C -0.937 176.170 177.300 -0.321 0.000 1.200 905 P CA 0.135 62.924 63.100 -0.519 0.000 0.772 905 P CB 0.242 31.429 31.700 -0.855 0.000 0.855 906 Q N 1.829 121.467 119.800 -0.269 0.000 2.430 906 Q HA 0.166 4.494 4.340 -0.020 0.000 0.245 906 Q C 0.063 176.162 176.000 0.166 0.000 1.021 906 Q CA -0.245 55.496 55.803 -0.103 0.000 0.867 906 Q CB 1.272 29.843 28.738 -0.279 0.000 1.210 906 Q HN 0.505 nan 8.270 nan 0.000 0.487 907 E N 1.889 122.184 120.200 0.158 0.000 2.397 907 E HA -0.032 4.306 4.350 -0.020 0.000 0.254 907 E C 0.961 177.586 176.600 0.042 0.000 1.231 907 E CA -0.067 56.400 56.400 0.112 0.000 0.954 907 E CB 0.780 30.515 29.700 0.058 0.000 1.024 907 E HN 0.481 nan 8.360 nan 0.000 0.481 908 K N 1.274 121.675 120.400 0.002 0.000 2.209 908 K HA -0.152 4.156 4.320 -0.020 0.000 0.204 908 K C 1.201 177.805 176.600 0.006 0.000 1.048 908 K CA 1.317 57.606 56.287 0.003 0.000 0.940 908 K CB -0.045 32.444 32.500 -0.017 0.000 0.729 908 K HN 0.285 nan 8.250 nan 0.000 0.451 909 N N 1.441 120.138 118.700 -0.004 0.000 2.135 909 N HA -0.114 4.614 4.740 -0.020 0.000 0.186 909 N C 1.992 177.500 175.510 -0.004 0.000 1.027 909 N CA 1.825 54.870 53.050 -0.008 0.000 0.849 909 N CB -0.248 38.227 38.487 -0.018 0.000 1.002 909 N HN 0.454 nan 8.380 nan 0.000 0.425 910 S N 0.912 116.605 115.700 -0.012 0.000 2.383 910 S HA -0.082 4.376 4.470 -0.020 0.000 0.229 910 S C 2.020 176.620 174.600 -0.000 0.000 1.030 910 S CA 0.818 58.998 58.200 -0.032 0.000 1.002 910 S CB -0.386 62.767 63.200 -0.078 0.000 0.829 910 S HN 0.052 nan 8.310 nan 0.000 0.467 911 L N 1.895 123.135 121.223 0.029 0.000 2.068 911 L HA 0.179 4.507 4.340 -0.020 0.000 0.204 911 L C 2.613 179.528 176.870 0.075 0.000 1.076 911 L CA 1.574 56.458 54.840 0.075 0.000 0.753 911 L CB -1.024 41.086 42.059 0.086 0.000 0.910 911 L HN 0.287 nan 8.230 nan 0.000 0.439 912 K N -0.214 120.218 120.400 0.055 0.000 2.089 912 K HA -0.254 4.054 4.320 -0.020 0.000 0.210 912 K C 1.605 178.264 176.600 0.097 0.000 1.048 912 K CA 1.992 58.316 56.287 0.060 0.000 0.926 912 K CB -0.063 32.455 32.500 0.031 0.000 0.714 912 K HN 0.296 nan 8.250 nan 0.000 0.448 913 D N 0.712 121.157 120.400 0.076 0.000 2.149 913 D HA -0.133 4.495 4.640 -0.020 0.000 0.201 913 D C 1.908 178.293 176.300 0.142 0.000 0.972 913 D CA 0.572 54.629 54.000 0.096 0.000 0.835 913 D CB -0.089 40.728 40.800 0.029 0.000 0.966 913 D HN 0.238 nan 8.370 nan 0.000 0.476 914 L N 0.794 122.083 121.223 0.110 0.000 2.017 914 L HA -0.185 4.143 4.340 -0.020 0.000 0.208 914 L C 2.302 179.258 176.870 0.142 0.000 1.073 914 L CA 1.020 55.932 54.840 0.122 0.000 0.745 914 L CB -0.141 41.999 42.059 0.135 0.000 0.894 914 L HN -0.061 nan 8.230 nan 0.000 0.432 915 V N -1.056 118.941 119.914 0.138 0.000 2.233 915 V HA -0.393 3.714 4.120 -0.020 0.000 0.247 915 V C 2.180 178.374 176.094 0.167 0.000 1.050 915 V CA 2.287 64.668 62.300 0.135 0.000 1.010 915 V CB -1.405 30.481 31.823 0.106 0.000 0.637 915 V HN 0.492 nan 8.190 nan 0.000 0.444 916 Y N 0.952 121.303 120.300 0.085 0.000 1.977 916 Y HA -0.394 4.143 4.550 -0.022 0.000 0.264 916 Y C 2.935 178.942 175.900 0.178 0.000 1.167 916 Y CA 2.694 60.855 58.100 0.101 0.000 1.102 916 Y CB -0.430 38.073 38.460 0.072 0.000 0.948 916 Y HN 0.205 nan 8.280 nan 0.000 0.489 917 Q N -0.471 119.570 119.800 0.400 0.000 2.226 917 Q HA -0.165 4.162 4.340 -0.020 0.000 0.204 917 Q C 2.292 178.382 176.000 0.150 0.000 0.975 917 Q CA 1.100 57.082 55.803 0.299 0.000 0.866 917 Q CB -0.320 28.579 28.738 0.269 0.000 0.915 917 Q HN 0.654 nan 8.270 nan 0.000 0.440 918 A N -0.102 122.798 122.820 0.133 0.000 1.933 918 A HA -0.196 4.112 4.320 -0.020 0.000 0.218 918 A C 1.759 179.378 177.584 0.057 0.000 1.175 918 A CA 1.054 53.142 52.037 0.086 0.000 0.628 918 A CB -0.774 18.276 19.000 0.083 0.000 0.814 918 A HN 0.580 nan 8.150 nan 0.000 0.444 919 F N -0.440 119.458 119.950 -0.088 0.000 2.186 919 F HA -0.068 4.446 4.527 -0.022 0.000 0.299 919 F C 1.787 177.491 175.800 -0.160 0.000 1.090 919 F CA 1.457 59.373 58.000 -0.141 0.000 1.307 919 F CB -0.013 38.855 39.000 -0.220 0.000 1.019 919 F HN 0.160 nan 8.300 nan 0.000 0.489 920 L N -0.173 121.081 121.223 0.051 0.000 2.162 920 L HA 0.012 4.339 4.340 -0.020 0.000 0.205 920 L C 2.502 179.365 176.870 -0.011 0.000 1.086 920 L CA 1.328 56.178 54.840 0.018 0.000 0.778 920 L CB -0.632 41.470 42.059 0.070 0.000 0.928 920 L HN -0.022 nan 8.230 nan 0.000 0.446 921 R N -0.808 119.700 120.500 0.013 0.000 2.055 921 R HA 0.036 4.364 4.340 -0.020 0.000 0.221 921 R C 2.162 178.444 176.300 -0.030 0.000 1.154 921 R CA 0.957 57.064 56.100 0.012 0.000 0.975 921 R CB -0.122 30.206 30.300 0.046 0.000 0.869 921 R HN 0.201 nan 8.270 nan 0.000 0.437 922 L N -0.604 120.596 121.223 -0.039 0.000 2.131 922 L HA 0.230 4.558 4.340 -0.020 0.000 0.206 922 L C 0.950 177.756 176.870 -0.108 0.000 1.087 922 L CA 0.595 55.403 54.840 -0.053 0.000 0.767 922 L CB -0.159 41.880 42.059 -0.033 0.000 0.917 922 L HN 0.503 nan 8.230 nan 0.000 0.441 923 G N -1.715 106.971 108.800 -0.191 0.000 2.334 923 G HA2 -0.096 3.852 3.960 -0.020 0.000 0.566 923 G HA3 -0.096 3.852 3.960 -0.020 0.000 0.566 923 G C -0.199 174.481 174.900 -0.366 0.000 1.413 923 G CA -0.098 44.840 45.100 -0.270 0.000 0.993 923 G HN -0.076 nan 8.290 nan 0.000 0.642 924 M N 0.377 119.707 119.600 -0.450 0.000 2.126 924 M HA -0.086 4.381 4.480 -0.020 0.000 0.259 924 M C 2.669 178.854 176.300 -0.191 0.000 1.073 924 M CA 2.970 58.015 55.300 -0.425 0.000 1.103 924 M CB -0.429 32.011 32.600 -0.266 0.000 1.284 924 M HN 0.825 nan 8.290 nan 0.000 0.420 925 E N -0.214 119.902 120.200 -0.140 0.000 2.085 925 E HA -0.268 4.069 4.350 -0.020 0.000 0.194 925 E C 1.958 178.505 176.600 -0.089 0.000 0.994 925 E CA 1.437 57.767 56.400 -0.116 0.000 0.801 925 E CB -0.629 29.013 29.700 -0.096 0.000 0.743 925 E HN 0.544 nan 8.360 nan 0.000 0.453 926 K N 0.341 120.689 120.400 -0.087 0.000 2.160 926 K HA -0.122 4.186 4.320 -0.020 0.000 0.206 926 K C 2.167 178.742 176.600 -0.042 0.000 1.047 926 K CA 1.784 58.035 56.287 -0.061 0.000 0.930 926 K CB -0.103 32.361 32.500 -0.061 0.000 0.720 926 K HN 0.156 nan 8.250 nan 0.000 0.450 927 T N 0.431 114.955 114.554 -0.050 0.000 2.737 927 T HA -0.122 4.216 4.350 -0.020 0.000 0.265 927 T C 1.831 176.545 174.700 0.023 0.000 1.038 927 T CA 1.229 63.332 62.100 0.006 0.000 1.144 927 T CB -0.253 68.648 68.868 0.055 0.000 0.866 927 T HN 0.343 nan 8.240 nan 0.000 0.434 928 A N 2.156 124.977 122.820 0.003 0.000 1.903 928 A HA -0.260 4.048 4.320 -0.020 0.000 0.219 928 A C 2.320 179.915 177.584 0.019 0.000 1.191 928 A CA 1.946 53.986 52.037 0.006 0.000 0.638 928 A CB -0.658 18.320 19.000 -0.036 0.000 0.823 928 A HN 0.441 nan 8.150 nan 0.000 0.451 929 R N -1.333 119.166 120.500 -0.002 0.000 2.132 929 R HA -0.204 4.123 4.340 -0.020 0.000 0.233 929 R C 2.185 178.504 176.300 0.032 0.000 1.125 929 R CA 1.698 57.803 56.100 0.009 0.000 0.914 929 R CB -0.936 29.358 30.300 -0.010 0.000 0.845 929 R HN 0.522 nan 8.270 nan 0.000 0.431 930 L N 1.616 122.849 121.223 0.018 0.000 2.051 930 L HA -0.214 4.114 4.340 -0.020 0.000 0.214 930 L C 2.030 178.925 176.870 0.042 0.000 1.076 930 L CA 1.669 56.516 54.840 0.012 0.000 0.758 930 L CB -0.596 41.467 42.059 0.005 0.000 0.890 930 L HN 0.219 nan 8.230 nan 0.000 0.433 931 L N -0.719 120.541 121.223 0.061 0.000 1.970 931 L HA -0.259 4.068 4.340 -0.020 0.000 0.212 931 L C 2.412 179.364 176.870 0.137 0.000 1.071 931 L CA 1.849 56.741 54.840 0.087 0.000 0.751 931 L CB -0.846 41.257 42.059 0.075 0.000 0.889 931 L HN 0.326 nan 8.230 nan 0.000 0.432 932 D N -0.285 120.212 120.400 0.162 0.000 2.144 932 D HA -0.153 4.475 4.640 -0.020 0.000 0.199 932 D C 2.162 178.614 176.300 0.253 0.000 0.984 932 D CA 1.394 55.539 54.000 0.242 0.000 0.834 932 D CB 0.071 41.004 40.800 0.221 0.000 0.955 932 D HN 0.350 nan 8.370 nan 0.000 0.465 933 A N 0.917 123.851 122.820 0.191 0.000 1.883 933 A HA -0.177 4.130 4.320 -0.020 0.000 0.217 933 A C 2.414 180.167 177.584 0.283 0.000 1.186 933 A CA 1.118 53.299 52.037 0.240 0.000 0.624 933 A CB -0.851 18.191 19.000 0.069 0.000 0.822 933 A HN 0.210 nan 8.150 nan 0.000 0.444 934 L N -0.443 120.857 121.223 0.128 0.000 2.046 934 L HA -0.199 4.129 4.340 -0.020 0.000 0.208 934 L C 2.621 179.573 176.870 0.137 0.000 1.077 934 L CA 1.893 56.784 54.840 0.085 0.000 0.747 934 L CB -0.434 41.647 42.059 0.036 0.000 0.896 934 L HN 0.490 nan 8.230 nan 0.000 0.432 935 K N -0.165 120.330 120.400 0.158 0.000 2.044 935 K HA -0.286 4.022 4.320 -0.020 0.000 0.210 935 K C 2.311 179.057 176.600 0.244 0.000 1.049 935 K CA 2.043 58.395 56.287 0.108 0.000 0.927 935 K CB -0.378 32.299 32.500 0.295 0.000 0.713 935 K HN 0.265 nan 8.250 nan 0.000 0.443 936 Y N -0.022 120.437 120.300 0.264 0.000 2.133 936 Y HA -0.272 4.269 4.550 -0.016 0.000 0.287 936 Y C 1.968 177.985 175.900 0.194 0.000 1.134 936 Y CA 1.846 60.088 58.100 0.236 0.000 1.133 936 Y CB -0.222 38.314 38.460 0.127 0.000 0.987 936 Y HN 0.081 nan 8.280 nan 0.000 0.502 937 Y N -0.097 120.309 120.300 0.175 0.000 2.293 937 Y HA -0.042 4.491 4.550 -0.029 0.000 0.291 937 Y C 2.589 178.665 175.900 0.294 0.000 1.137 937 Y CA 1.039 59.281 58.100 0.236 0.000 1.202 937 Y CB -1.118 37.527 38.460 0.308 0.000 0.990 937 Y HN 0.212 nan 8.280 nan 0.000 0.537 938 G N -0.486 108.470 108.800 0.261 0.000 2.459 938 G HA2 -0.264 3.684 3.960 -0.020 0.000 0.217 938 G HA3 -0.264 3.684 3.960 -0.020 0.000 0.217 938 G C 1.636 176.607 174.900 0.118 0.000 1.183 938 G CA 0.895 46.066 45.100 0.118 0.000 0.776 938 G HN 0.387 nan 8.290 nan 0.000 0.552 939 F N 1.250 121.246 119.950 0.077 0.000 2.095 939 F HA -0.156 4.358 4.527 -0.021 0.000 0.298 939 F C 3.206 178.962 175.800 -0.074 0.000 1.104 939 F CA 1.412 59.410 58.000 -0.003 0.000 1.232 939 F CB -0.466 38.514 39.000 -0.033 0.000 0.987 939 F HN 0.081 nan 8.300 nan 0.000 0.475 940 T N 0.425 114.984 114.554 0.009 0.000 2.545 940 T HA -0.241 4.097 4.350 -0.020 0.000 0.261 940 T C 1.561 176.190 174.700 -0.118 0.000 1.097 940 T CA 1.688 63.658 62.100 -0.216 0.000 1.189 940 T CB -0.941 67.591 68.868 -0.558 0.000 0.863 940 T HN 0.055 nan 8.240 nan 0.000 0.405 941 F N 1.923 121.853 119.950 -0.034 0.000 2.346 941 F HA -0.150 4.348 4.527 -0.049 0.000 0.301 941 F C 2.846 178.644 175.800 -0.003 0.000 1.070 941 F CA 1.116 59.132 58.000 0.027 0.000 1.407 941 F CB -0.752 38.318 39.000 0.116 0.000 1.072 941 F HN 0.246 nan 8.300 nan 0.000 0.543 942 S N -0.483 115.319 115.700 0.169 0.000 2.371 942 S HA -0.190 4.268 4.470 -0.020 0.000 0.224 942 S C 2.263 176.858 174.600 -0.007 0.000 1.029 942 S CA 1.509 59.758 58.200 0.081 0.000 0.978 942 S CB -1.095 62.181 63.200 0.127 0.000 0.833 942 S HN 0.484 nan 8.310 nan 0.000 0.466 943 T N 0.004 114.550 114.554 -0.013 0.000 2.737 943 T HA -0.107 4.231 4.350 -0.020 0.000 0.265 943 T C 1.974 176.624 174.700 -0.083 0.000 1.038 943 T CA 1.942 64.011 62.100 -0.052 0.000 1.144 943 T CB -1.644 67.182 68.868 -0.070 0.000 0.866 943 T HN 0.510 nan 8.240 nan 0.000 0.434 944 T N 2.710 117.206 114.554 -0.098 0.000 2.737 944 T HA -0.113 4.225 4.350 -0.020 0.000 0.265 944 T C 2.478 177.106 174.700 -0.119 0.000 1.038 944 T CA 1.683 63.725 62.100 -0.097 0.000 1.144 944 T CB -0.929 67.879 68.868 -0.099 0.000 0.866 944 T HN 0.711 nan 8.240 nan 0.000 0.434 945 S N 1.738 117.301 115.700 -0.228 0.000 2.413 945 S HA -0.049 4.409 4.470 -0.020 0.000 0.237 945 S C 1.960 176.327 174.600 -0.388 0.000 1.044 945 S CA 1.242 59.059 58.200 -0.638 0.000 1.024 945 S CB -1.412 61.101 63.200 -1.144 0.000 0.829 945 S HN 1.207 nan 8.310 nan 0.000 0.475 946 G N 1.074 109.748 108.800 -0.210 0.000 2.272 946 G HA2 -0.226 3.722 3.960 -0.020 0.000 0.280 946 G HA3 -0.226 3.722 3.960 -0.020 0.000 0.280 946 G C -0.141 174.704 174.900 -0.092 0.000 1.067 946 G CA 0.098 45.131 45.100 -0.112 0.000 0.902 946 G HN 1.259 nan 8.290 nan 0.000 0.500 947 I N -0.398 120.105 120.570 -0.111 0.000 2.441 947 I HA 0.824 4.981 4.170 -0.020 0.000 0.287 947 I C 0.372 176.475 176.117 -0.023 0.000 1.049 947 I CA -0.048 61.226 61.300 -0.043 0.000 1.381 947 I CB 1.745 39.727 38.000 -0.029 0.000 1.409 947 I HN 0.510 nan 8.210 nan 0.000 0.523 948 T N 5.002 119.553 114.554 -0.005 0.000 2.982 948 T HA 0.570 4.908 4.350 -0.020 0.000 0.321 948 T C -0.492 174.205 174.700 -0.005 0.000 1.229 948 T CA -0.878 61.216 62.100 -0.009 0.000 1.044 948 T CB 1.139 70.000 68.868 -0.012 0.000 1.184 948 T HN 0.491 nan 8.240 nan 0.000 0.477 949 I N 2.255 122.819 120.570 -0.010 0.000 2.638 949 I HA 0.617 4.775 4.170 -0.020 0.000 0.286 949 I C 1.156 177.268 176.117 -0.008 0.000 1.088 949 I CA -0.000 61.294 61.300 -0.010 0.000 1.397 949 I CB 0.576 38.568 38.000 -0.014 0.000 1.414 949 I HN 1.049 nan 8.210 nan 0.000 0.566 950 G N 4.686 113.483 108.800 -0.005 0.000 2.746 950 G HA2 0.416 4.364 3.960 -0.020 0.000 0.297 950 G HA3 0.416 4.364 3.960 -0.020 0.000 0.297 950 G C 0.565 175.465 174.900 -0.001 0.000 1.426 950 G CA -0.421 44.676 45.100 -0.005 0.000 0.989 950 G HN 0.394 nan 8.290 nan 0.000 0.520 951 I N 0.982 121.553 120.570 0.001 0.000 2.185 951 I HA -0.149 4.009 4.170 -0.020 0.000 0.246 951 I C 1.912 178.036 176.117 0.011 0.000 1.088 951 I CA 1.604 62.910 61.300 0.010 0.000 1.347 951 I CB -0.283 37.723 38.000 0.009 0.000 1.041 951 I HN 0.511 nan 8.210 nan 0.000 0.415 952 D N 0.420 120.820 120.400 -0.001 0.000 2.350 952 D HA -0.126 4.501 4.640 -0.020 0.000 0.216 952 D C 1.628 177.912 176.300 -0.027 0.000 0.968 952 D CA 0.584 54.576 54.000 -0.013 0.000 0.894 952 D CB -0.088 40.699 40.800 -0.022 0.000 0.909 952 D HN 0.352 nan 8.370 nan 0.000 0.520 953 D N 0.318 120.711 120.400 -0.013 0.000 2.149 953 D HA 0.006 4.634 4.640 -0.020 0.000 0.201 953 D C 0.748 177.080 176.300 0.054 0.000 0.972 953 D CA 0.550 54.545 54.000 -0.010 0.000 0.835 953 D CB -0.314 40.483 40.800 -0.005 0.000 0.966 953 D HN 0.073 nan 8.370 nan 0.000 0.476 954 A N 1.426 124.285 122.820 0.067 0.000 2.541 954 A HA 0.289 4.597 4.320 -0.020 0.000 0.293 954 A C 0.085 177.751 177.584 0.137 0.000 1.307 954 A CA -0.183 51.936 52.037 0.136 0.000 0.978 954 A CB -0.288 18.774 19.000 0.104 0.000 1.111 954 A HN -0.033 nan 8.150 nan 0.000 0.535 955 V N 4.907 124.944 119.914 0.206 0.000 2.461 955 V HA 0.187 4.294 4.120 -0.020 0.000 0.275 955 V C 0.468 176.541 176.094 -0.036 0.000 1.047 955 V CA -0.175 62.137 62.300 0.020 0.000 0.955 955 V CB 0.923 32.687 31.823 -0.099 0.000 0.988 955 V HN 0.683 nan 8.190 nan 0.000 0.471 956 I N 7.018 127.579 120.570 -0.015 0.000 2.352 956 I HA 0.286 4.444 4.170 -0.020 0.000 0.290 956 I C -2.096 173.997 176.117 -0.038 0.000 1.036 956 I CA -1.601 59.690 61.300 -0.015 0.000 1.336 956 I CB 1.611 39.620 38.000 0.015 0.000 1.407 956 I HN 0.435 nan 8.210 nan 0.000 0.497 957 P HA 0.084 nan 4.420 nan 0.000 0.271 957 P C 0.436 177.744 177.300 0.014 0.000 1.220 957 P CA -0.158 62.913 63.100 -0.048 0.000 0.768 957 P CB 0.876 32.534 31.700 -0.069 0.000 0.848 958 E N 2.509 122.723 120.200 0.023 0.000 2.118 958 E HA -0.257 4.080 4.350 -0.020 0.000 0.195 958 E C 1.385 178.035 176.600 0.084 0.000 0.992 958 E CA 1.358 57.784 56.400 0.043 0.000 0.804 958 E CB -0.062 29.656 29.700 0.030 0.000 0.741 958 E HN 0.497 nan 8.360 nan 0.000 0.458 959 E N 0.575 120.849 120.200 0.123 0.000 2.208 959 E HA -0.334 4.004 4.350 -0.020 0.000 0.202 959 E C 1.978 178.810 176.600 0.388 0.000 1.014 959 E CA 1.318 57.880 56.400 0.271 0.000 0.819 959 E CB -0.381 29.562 29.700 0.405 0.000 0.735 959 E HN 0.288 nan 8.360 nan 0.000 0.469 960 K N 2.323 122.850 120.400 0.213 0.000 2.044 960 K HA -0.245 4.062 4.320 -0.020 0.000 0.210 960 K C 2.369 179.075 176.600 0.176 0.000 1.049 960 K CA 2.174 58.565 56.287 0.173 0.000 0.927 960 K CB -0.160 32.388 32.500 0.079 0.000 0.713 960 K HN 0.158 nan 8.250 nan 0.000 0.443 961 K N 0.334 120.806 120.400 0.121 0.000 2.103 961 K HA -0.231 4.077 4.320 -0.020 0.000 0.207 961 K C 1.928 178.579 176.600 0.086 0.000 1.048 961 K CA 1.863 58.204 56.287 0.089 0.000 0.930 961 K CB -0.190 32.344 32.500 0.057 0.000 0.716 961 K HN 0.358 nan 8.250 nan 0.000 0.444 962 Q N -0.152 119.696 119.800 0.079 0.000 2.049 962 Q HA -0.114 4.214 4.340 -0.020 0.000 0.198 962 Q C 2.021 178.019 176.000 -0.004 0.000 0.971 962 Q CA 1.489 57.290 55.803 -0.003 0.000 0.833 962 Q CB -0.378 28.308 28.738 -0.086 0.000 0.896 962 Q HN 0.374 nan 8.270 nan 0.000 0.434 963 Y N 1.063 121.378 120.300 0.026 0.000 2.274 963 Y HA -0.200 4.337 4.550 -0.021 0.000 0.290 963 Y C 2.093 178.025 175.900 0.053 0.000 1.145 963 Y CA 0.925 59.045 58.100 0.032 0.000 1.203 963 Y CB -0.148 38.339 38.460 0.044 0.000 0.984 963 Y HN 0.062 nan 8.280 nan 0.000 0.533 964 L N -0.215 121.151 121.223 0.239 0.000 1.988 964 L HA -0.217 4.110 4.340 -0.020 0.000 0.207 964 L C 2.595 179.550 176.870 0.141 0.000 1.071 964 L CA 1.798 56.767 54.840 0.215 0.000 0.744 964 L CB -0.465 41.703 42.059 0.181 0.000 0.893 964 L HN 0.217 nan 8.230 nan 0.000 0.433 965 E N -0.033 120.222 120.200 0.091 0.000 2.160 965 E HA -0.275 4.063 4.350 -0.020 0.000 0.195 965 E C 1.909 178.513 176.600 0.006 0.000 0.991 965 E CA 1.440 57.867 56.400 0.046 0.000 0.810 965 E CB 0.061 29.779 29.700 0.030 0.000 0.742 965 E HN 0.500 nan 8.360 nan 0.000 0.466 966 E N -0.203 119.992 120.200 -0.008 0.000 2.047 966 E HA -0.138 4.199 4.350 -0.020 0.000 0.191 966 E C 1.975 178.534 176.600 -0.068 0.000 0.987 966 E CA 0.901 57.271 56.400 -0.050 0.000 0.799 966 E CB -0.076 29.573 29.700 -0.086 0.000 0.752 966 E HN 0.372 nan 8.360 nan 0.000 0.449 967 A N 1.124 123.903 122.820 -0.068 0.000 2.066 967 A HA -0.161 4.147 4.320 -0.020 0.000 0.218 967 A C 1.749 179.184 177.584 -0.249 0.000 1.157 967 A CA 0.921 52.834 52.037 -0.206 0.000 0.670 967 A CB -0.162 18.665 19.000 -0.288 0.000 0.804 967 A HN 0.152 nan 8.150 nan 0.000 0.453 968 D N 0.425 120.771 120.400 -0.090 0.000 2.087 968 D HA -0.201 4.427 4.640 -0.020 0.000 0.192 968 D C 2.287 178.557 176.300 -0.051 0.000 0.993 968 D CA 1.858 55.845 54.000 -0.021 0.000 0.828 968 D CB -0.135 40.694 40.800 0.048 0.000 0.968 968 D HN 0.675 nan 8.370 nan 0.000 0.448 969 R N 1.111 121.582 120.500 -0.048 0.000 2.115 969 R HA -0.063 4.265 4.340 -0.020 0.000 0.230 969 R C 2.086 178.340 176.300 -0.076 0.000 1.111 969 R CA 0.951 57.022 56.100 -0.048 0.000 0.976 969 R CB -0.363 29.913 30.300 -0.040 0.000 0.870 969 R HN -0.026 nan 8.270 nan 0.000 0.445 970 K N 0.965 121.299 120.400 -0.111 0.000 2.281 970 K HA -0.113 4.194 4.320 -0.020 0.000 0.203 970 K C 1.890 178.400 176.600 -0.151 0.000 1.046 970 K CA 0.851 57.058 56.287 -0.135 0.000 0.938 970 K CB -0.060 32.338 32.500 -0.170 0.000 0.737 970 K HN 0.204 nan 8.250 nan 0.000 0.458 971 L N 0.231 121.357 121.223 -0.161 0.000 2.131 971 L HA 0.040 4.368 4.340 -0.020 0.000 0.206 971 L C 1.818 178.652 176.870 -0.061 0.000 1.087 971 L CA 1.130 55.889 54.840 -0.134 0.000 0.767 971 L CB -0.378 41.609 42.059 -0.120 0.000 0.917 971 L HN 0.216 nan 8.230 nan 0.000 0.441 972 L N -0.618 120.579 121.223 -0.044 0.000 2.079 972 L HA -0.266 4.062 4.340 -0.020 0.000 0.210 972 L C 2.477 179.332 176.870 -0.024 0.000 1.081 972 L CA 1.791 56.619 54.840 -0.019 0.000 0.752 972 L CB -0.363 41.687 42.059 -0.016 0.000 0.896 972 L HN 0.418 nan 8.230 nan 0.000 0.433 973 Q N -0.419 119.353 119.800 -0.046 0.000 2.050 973 Q HA -0.197 4.130 4.340 -0.020 0.000 0.202 973 Q C 2.269 178.239 176.000 -0.050 0.000 0.980 973 Q CA 2.106 57.875 55.803 -0.056 0.000 0.840 973 Q CB -0.238 28.456 28.738 -0.075 0.000 0.898 973 Q HN 0.600 nan 8.270 nan 0.000 0.424 974 I N 0.740 121.281 120.570 -0.049 0.000 2.264 974 I HA -0.249 3.908 4.170 -0.020 0.000 0.248 974 I C 2.336 178.473 176.117 0.032 0.000 1.111 974 I CA 0.895 62.181 61.300 -0.023 0.000 1.382 974 I CB -0.186 37.790 38.000 -0.040 0.000 1.060 974 I HN 0.142 nan 8.210 nan 0.000 0.418 975 E N 0.580 120.796 120.200 0.027 0.000 2.152 975 E HA -0.193 4.145 4.350 -0.020 0.000 0.192 975 E C 2.137 178.798 176.600 0.100 0.000 0.983 975 E CA 1.036 57.480 56.400 0.073 0.000 0.818 975 E CB -0.079 29.649 29.700 0.047 0.000 0.758 975 E HN 0.536 nan 8.360 nan 0.000 0.467 976 Q N -0.524 119.302 119.800 0.043 0.000 2.224 976 Q HA -0.061 4.267 4.340 -0.020 0.000 0.203 976 Q C 1.932 177.942 176.000 0.017 0.000 0.970 976 Q CA 1.094 56.913 55.803 0.027 0.000 0.865 976 Q CB 0.049 28.779 28.738 -0.013 0.000 0.922 976 Q HN 0.199 nan 8.270 nan 0.000 0.445 977 A N -0.133 122.684 122.820 -0.004 0.000 1.854 977 A HA -0.196 4.112 4.320 -0.020 0.000 0.214 977 A C 1.812 179.471 177.584 0.125 0.000 1.192 977 A CA 1.075 53.079 52.037 -0.056 0.000 0.611 977 A CB -0.877 18.059 19.000 -0.107 0.000 0.832 977 A HN 0.500 nan 8.150 nan 0.000 0.442 978 Y N 0.572 120.903 120.300 0.050 0.000 2.145 978 Y HA -0.198 4.340 4.550 -0.020 0.000 0.286 978 Y C 2.248 178.201 175.900 0.090 0.000 1.145 978 Y CA 2.225 60.375 58.100 0.084 0.000 1.148 978 Y CB -0.283 38.215 38.460 0.062 0.000 0.981 978 Y HN 0.453 nan 8.280 nan 0.000 0.507 979 E N -0.748 119.580 120.200 0.212 0.000 2.333 979 E HA -0.235 4.103 4.350 -0.020 0.000 0.200 979 E C 1.794 178.413 176.600 0.031 0.000 1.010 979 E CA 1.202 57.673 56.400 0.119 0.000 0.841 979 E CB -0.037 29.737 29.700 0.123 0.000 0.757 979 E HN 0.512 nan 8.360 nan 0.000 0.508 980 M N -2.352 117.288 119.600 0.067 0.000 2.447 980 M HA 0.118 4.586 4.480 -0.020 0.000 0.266 980 M C 1.652 177.973 176.300 0.034 0.000 1.120 980 M CA 1.245 56.613 55.300 0.113 0.000 1.166 980 M CB 0.865 33.652 32.600 0.311 0.000 1.349 980 M HN 0.269 nan 8.290 nan 0.000 0.463 981 G N -0.968 107.822 108.800 -0.015 0.000 2.205 981 G HA2 -0.206 3.742 3.960 -0.020 0.000 0.180 981 G HA3 -0.206 3.742 3.960 -0.020 0.000 0.180 981 G C 0.599 175.461 174.900 -0.063 0.000 1.004 981 G CA -0.236 44.786 45.100 -0.129 0.000 0.670 981 G HN 0.278 nan 8.290 nan 0.000 0.496 982 F N 0.880 120.779 119.950 -0.085 0.000 2.039 982 F HA 0.321 4.836 4.527 -0.020 0.000 0.294 982 F C 1.812 177.606 175.800 -0.009 0.000 1.130 982 F CA 1.334 59.314 58.000 -0.033 0.000 1.189 982 F CB -0.156 38.839 39.000 -0.008 0.000 0.983 982 F HN 0.081 nan 8.300 nan 0.000 0.471 983 L N 0.176 121.556 121.223 0.261 0.000 2.312 983 L HA 0.269 4.597 4.340 -0.020 0.000 0.281 983 L C 0.489 177.485 176.870 0.209 0.000 1.070 983 L CA -0.477 54.493 54.840 0.217 0.000 0.805 983 L CB 0.899 43.103 42.059 0.241 0.000 1.174 983 L HN -0.129 nan 8.230 nan 0.000 0.434 984 T N 0.562 115.220 114.554 0.173 0.000 2.900 984 T HA -0.050 4.287 4.350 -0.020 0.000 0.307 984 T C 1.173 176.038 174.700 0.275 0.000 1.065 984 T CA -0.279 61.923 62.100 0.170 0.000 1.105 984 T CB 0.497 69.430 68.868 0.110 0.000 0.979 984 T HN 0.685 nan 8.240 nan 0.000 0.544 985 D N 1.860 122.446 120.400 0.310 0.000 2.242 985 D HA -0.201 4.426 4.640 -0.020 0.000 0.190 985 D C 2.082 178.474 176.300 0.152 0.000 1.012 985 D CA 1.636 55.805 54.000 0.282 0.000 0.875 985 D CB 0.133 41.033 40.800 0.167 0.000 0.922 985 D HN 0.413 nan 8.370 nan 0.000 0.448 986 R N 1.110 121.693 120.500 0.139 0.000 2.061 986 R HA -0.091 4.237 4.340 -0.020 0.000 0.230 986 R C 2.139 178.546 176.300 0.177 0.000 1.140 986 R CA 1.683 57.870 56.100 0.145 0.000 0.940 986 R CB -0.582 29.784 30.300 0.110 0.000 0.839 986 R HN 0.064 nan 8.270 nan 0.000 0.429 987 E N 0.128 120.416 120.200 0.148 0.000 2.136 987 E HA -0.308 4.030 4.350 -0.020 0.000 0.202 987 E C 2.002 178.673 176.600 0.119 0.000 1.019 987 E CA 2.010 58.484 56.400 0.125 0.000 0.819 987 E CB -0.224 29.551 29.700 0.125 0.000 0.739 987 E HN 0.285 nan 8.360 nan 0.000 0.458 988 R N -0.067 120.522 120.500 0.148 0.000 2.082 988 R HA -0.248 4.079 4.340 -0.020 0.000 0.234 988 R C 2.307 178.658 176.300 0.085 0.000 1.136 988 R CA 1.881 58.038 56.100 0.096 0.000 0.935 988 R CB -0.753 29.554 30.300 0.012 0.000 0.842 988 R HN 0.272 nan 8.270 nan 0.000 0.430 989 Y N 2.398 122.690 120.300 -0.013 0.000 2.014 989 Y HA -0.296 4.242 4.550 -0.020 0.000 0.272 989 Y C 1.912 177.825 175.900 0.021 0.000 1.164 989 Y CA 2.413 60.514 58.100 0.001 0.000 1.114 989 Y CB -0.713 37.746 38.460 -0.002 0.000 0.961 989 Y HN 0.257 nan 8.280 nan 0.000 0.489 990 D N -0.286 120.084 120.400 -0.049 0.000 2.265 990 D HA -0.178 4.450 4.640 -0.020 0.000 0.208 990 D C 2.051 178.284 176.300 -0.112 0.000 0.977 990 D CA 1.421 55.340 54.000 -0.135 0.000 0.871 990 D CB -0.286 40.520 40.800 0.010 0.000 0.925 990 D HN 0.610 nan 8.370 nan 0.000 0.485 991 Q N -0.491 119.271 119.800 -0.064 0.000 2.212 991 Q HA 0.091 4.419 4.340 -0.020 0.000 0.199 991 Q C 2.329 178.265 176.000 -0.106 0.000 0.950 991 Q CA 0.315 56.080 55.803 -0.064 0.000 0.863 991 Q CB 0.329 29.050 28.738 -0.028 0.000 0.944 991 Q HN 0.331 nan 8.270 nan 0.000 0.465 992 I N 0.526 121.031 120.570 -0.108 0.000 2.252 992 I HA -0.263 3.895 4.170 -0.020 0.000 0.245 992 I C 2.075 178.125 176.117 -0.111 0.000 1.102 992 I CA 0.972 62.197 61.300 -0.125 0.000 1.385 992 I CB -0.315 37.677 38.000 -0.013 0.000 1.064 992 I HN 0.195 nan 8.210 nan 0.000 0.414 993 L N 0.302 121.450 121.223 -0.125 0.000 2.012 993 L HA -0.258 4.070 4.340 -0.020 0.000 0.210 993 L C 2.700 179.557 176.870 -0.022 0.000 1.073 993 L CA 1.609 56.414 54.840 -0.059 0.000 0.748 993 L CB -0.708 41.198 42.059 -0.256 0.000 0.891 993 L HN 0.352 nan 8.230 nan 0.000 0.431 994 Q N 0.009 119.764 119.800 -0.075 0.000 2.291 994 Q HA -0.224 4.104 4.340 -0.020 0.000 0.206 994 Q C 2.174 178.136 176.000 -0.063 0.000 0.976 994 Q CA 0.934 56.709 55.803 -0.048 0.000 0.875 994 Q CB 0.047 28.754 28.738 -0.052 0.000 0.927 994 Q HN 0.371 nan 8.270 nan 0.000 0.450 995 L N -0.427 120.710 121.223 -0.145 0.000 1.994 995 L HA -0.128 4.200 4.340 -0.020 0.000 0.208 995 L C 1.504 178.247 176.870 -0.212 0.000 1.071 995 L CA 1.939 56.622 54.840 -0.262 0.000 0.745 995 L CB -0.722 41.041 42.059 -0.494 0.000 0.892 995 L HN 0.301 nan 8.230 nan 0.000 0.431 996 W N -0.267 121.019 121.300 -0.024 0.000 2.380 996 W HA -0.141 4.506 4.660 -0.021 0.000 0.317 996 W C 2.478 178.988 176.519 -0.015 0.000 1.196 996 W CA 1.317 58.654 57.345 -0.014 0.000 1.307 996 W CB -0.994 28.456 29.460 -0.017 0.000 1.157 996 W HN -0.002 nan 8.180 nan 0.000 0.483 997 T N 0.407 115.095 114.554 0.224 0.000 2.792 997 T HA -0.269 4.069 4.350 -0.020 0.000 0.268 997 T C 1.237 175.984 174.700 0.078 0.000 1.059 997 T CA 1.895 64.063 62.100 0.114 0.000 1.136 997 T CB -0.292 68.612 68.868 0.059 0.000 0.846 997 T HN 0.308 nan 8.240 nan 0.000 0.489 998 E N -0.264 119.976 120.200 0.067 0.000 2.127 998 E HA -0.008 4.329 4.350 -0.020 0.000 0.191 998 E C 2.510 179.150 176.600 0.068 0.000 0.964 998 E CA 0.701 57.127 56.400 0.044 0.000 0.832 998 E CB -0.103 29.607 29.700 0.016 0.000 0.790 998 E HN 0.248 nan 8.360 nan 0.000 0.465 999 T N 0.017 114.631 114.554 0.100 0.000 2.788 999 T HA -0.168 4.169 4.350 -0.020 0.000 0.268 999 T C 2.062 176.839 174.700 0.129 0.000 1.044 999 T CA 1.825 64.013 62.100 0.146 0.000 1.139 999 T CB -0.275 68.704 68.868 0.185 0.000 0.867 999 T HN 0.125 nan 8.240 nan 0.000 0.454 1000 T N 0.612 115.256 114.554 0.149 0.000 2.701 1000 T HA -0.087 4.250 4.350 -0.020 0.000 0.263 1000 T C 1.904 176.616 174.700 0.020 0.000 1.040 1000 T CA 1.364 63.516 62.100 0.086 0.000 1.147 1000 T CB -0.378 68.542 68.868 0.086 0.000 0.865 1000 T HN 0.323 nan 8.240 nan 0.000 0.426 1001 E N 0.579 120.791 120.200 0.020 0.000 2.204 1001 E HA -0.119 4.219 4.350 -0.020 0.000 0.195 1001 E C 2.219 178.791 176.600 -0.046 0.000 0.990 1001 E CA 0.981 57.375 56.400 -0.009 0.000 0.821 1001 E CB -0.041 29.658 29.700 -0.002 0.000 0.750 1001 E HN 0.518 nan 8.360 nan 0.000 0.477 1002 K N 0.048 120.410 120.400 -0.063 0.000 2.025 1002 K HA -0.120 4.187 4.320 -0.020 0.000 0.207 1002 K C 2.278 178.626 176.600 -0.420 0.000 1.049 1002 K CA 1.433 57.615 56.287 -0.175 0.000 0.933 1002 K CB -0.281 32.174 32.500 -0.076 0.000 0.714 1002 K HN 0.121 nan 8.250 nan 0.000 0.438 1003 V N -0.294 119.390 119.914 -0.383 0.000 2.490 1003 V HA -0.212 3.896 4.120 -0.020 0.000 0.250 1003 V C 1.805 177.816 176.094 -0.138 0.000 1.061 1003 V CA 2.213 64.302 62.300 -0.352 0.000 1.064 1003 V CB -0.749 30.984 31.823 -0.151 0.000 0.670 1003 V HN 0.202 nan 8.190 nan 0.000 0.461 1004 T N -0.142 114.382 114.554 -0.050 0.000 2.821 1004 T HA -0.177 4.161 4.350 -0.020 0.000 0.267 1004 T C 1.876 176.641 174.700 0.109 0.000 1.046 1004 T CA 2.030 64.176 62.100 0.077 0.000 1.139 1004 T CB -0.252 68.641 68.868 0.042 0.000 0.871 1004 T HN 0.688 nan 8.240 nan 0.000 0.454 1005 Q N -0.107 119.691 119.800 -0.004 0.000 2.378 1005 Q HA 0.078 4.406 4.340 -0.020 0.000 0.205 1005 Q C 2.332 178.374 176.000 0.070 0.000 0.954 1005 Q CA 0.711 56.531 55.803 0.029 0.000 0.901 1005 Q CB -0.088 28.643 28.738 -0.012 0.000 0.981 1005 Q HN 0.540 nan 8.270 nan 0.000 0.483 1006 A N 0.313 123.115 122.820 -0.030 0.000 1.841 1006 A HA -0.150 4.158 4.320 -0.020 0.000 0.214 1006 A C 2.161 179.743 177.584 -0.003 0.000 1.195 1006 A CA 1.671 53.675 52.037 -0.055 0.000 0.611 1006 A CB -1.155 17.696 19.000 -0.248 0.000 0.835 1006 A HN 0.376 nan 8.150 nan 0.000 0.443 1007 V N -3.036 116.896 119.914 0.030 0.000 2.252 1007 V HA -0.277 3.831 4.120 -0.020 0.000 0.249 1007 V C 2.263 178.350 176.094 -0.011 0.000 1.056 1007 V CA 2.340 64.616 62.300 -0.041 0.000 1.022 1007 V CB -1.488 30.404 31.823 0.114 0.000 0.641 1007 V HN 0.340 nan 8.190 nan 0.000 0.445 1008 F N 1.213 121.269 119.950 0.176 0.000 2.095 1008 F HA -0.081 4.433 4.527 -0.020 0.000 0.298 1008 F C 2.724 178.606 175.800 0.137 0.000 1.104 1008 F CA 2.520 60.721 58.000 0.334 0.000 1.232 1008 F CB -0.627 38.541 39.000 0.281 0.000 0.987 1008 F HN 0.114 nan 8.300 nan 0.000 0.475 1009 K N 0.268 120.811 120.400 0.237 0.000 2.113 1009 K HA -0.269 4.039 4.320 -0.020 0.000 0.208 1009 K C 2.153 178.734 176.600 -0.033 0.000 1.047 1009 K CA 1.530 57.876 56.287 0.098 0.000 0.928 1009 K CB -0.305 32.236 32.500 0.067 0.000 0.716 1009 K HN 0.124 nan 8.250 nan 0.000 0.446 1010 N N 0.537 119.157 118.700 -0.133 0.000 2.007 1010 N HA -0.197 4.531 4.740 -0.020 0.000 0.197 1010 N C 1.668 176.981 175.510 -0.329 0.000 1.050 1010 N CA 1.834 54.716 53.050 -0.280 0.000 0.856 1010 N CB -0.476 37.763 38.487 -0.415 0.000 1.050 1010 N HN 0.100 nan 8.380 nan 0.000 0.423 1011 F N 1.682 121.482 119.950 -0.250 0.000 2.126 1011 F HA -0.098 4.416 4.527 -0.022 0.000 0.299 1011 F C 2.627 178.103 175.800 -0.540 0.000 1.096 1011 F CA 1.307 58.995 58.000 -0.519 0.000 1.255 1011 F CB -0.934 37.273 39.000 -1.320 0.000 0.997 1011 F HN 0.263 nan 8.300 nan 0.000 0.479 1012 E N 0.307 120.399 120.200 -0.180 0.000 2.070 1012 E HA -0.255 4.083 4.350 -0.020 0.000 0.197 1012 E C 1.832 178.421 176.600 -0.019 0.000 1.004 1012 E CA 2.003 58.405 56.400 0.004 0.000 0.805 1012 E CB -0.074 29.704 29.700 0.130 0.000 0.744 1012 E HN 0.569 nan 8.360 nan 0.000 0.451 1013 E N -0.983 119.174 120.200 -0.071 0.000 2.201 1013 E HA 0.014 4.352 4.350 -0.020 0.000 0.193 1013 E C 1.784 178.295 176.600 -0.149 0.000 0.957 1013 E CA 0.242 56.595 56.400 -0.079 0.000 0.858 1013 E CB 0.238 29.894 29.700 -0.072 0.000 0.816 1013 E HN 0.228 nan 8.360 nan 0.000 0.475 1014 N N -0.051 118.472 118.700 -0.296 0.000 2.436 1014 N HA -0.010 4.718 4.740 -0.020 0.000 0.178 1014 N C -0.124 175.057 175.510 -0.548 0.000 1.026 1014 N CA 0.760 53.489 53.050 -0.535 0.000 0.880 1014 N CB 0.352 38.308 38.487 -0.885 0.000 1.061 1014 N HN 0.105 nan 8.380 nan 0.000 0.434 1015 Y N 0.225 120.530 120.300 0.008 0.000 2.837 1015 Y HA 0.420 4.955 4.550 -0.025 0.000 0.356 1015 Y C -1.847 174.097 175.900 0.073 0.000 1.035 1015 Y CA -2.348 55.807 58.100 0.092 0.000 1.165 1015 Y CB 1.357 39.901 38.460 0.140 0.000 1.147 1015 Y HN -0.025 nan 8.280 nan 0.000 0.628 1016 P HA -0.151 nan 4.420 nan 0.000 0.218 1016 P C 0.080 177.396 177.300 0.027 0.000 1.148 1016 P CA 1.553 64.694 63.100 0.068 0.000 0.822 1016 P CB 0.082 31.779 31.700 -0.005 0.000 0.784 1017 F N -0.710 119.401 119.950 0.269 0.000 2.883 1017 F HA 0.215 4.735 4.527 -0.011 0.000 0.312 1017 F C 0.925 176.870 175.800 0.242 0.000 1.246 1017 F CA -0.902 57.262 58.000 0.273 0.000 1.238 1017 F CB -0.699 38.441 39.000 0.233 0.000 1.195 1017 F HN -0.123 nan 8.300 nan 0.000 0.526 1018 N N 1.592 120.500 118.700 0.346 0.000 2.530 1018 N HA 0.120 4.848 4.740 -0.020 0.000 0.277 1018 N C -1.937 173.658 175.510 0.140 0.000 1.168 1018 N CA -1.350 51.824 53.050 0.206 0.000 0.979 1018 N CB 1.909 40.468 38.487 0.121 0.000 1.141 1018 N HN -0.004 nan 8.380 nan 0.000 0.459 1019 P HA -0.117 nan 4.420 nan 0.000 0.211 1019 P C 1.652 178.930 177.300 -0.035 0.000 1.179 1019 P CA 0.663 63.788 63.100 0.042 0.000 0.910 1019 P CB 0.139 31.854 31.700 0.025 0.000 0.785 1020 L N -1.671 119.501 121.223 -0.085 0.000 2.043 1020 L HA -0.214 4.113 4.340 -0.020 0.000 0.212 1020 L C 2.438 179.158 176.870 -0.251 0.000 1.075 1020 L CA 1.879 56.628 54.840 -0.152 0.000 0.752 1020 L CB -1.430 40.533 42.059 -0.161 0.000 0.891 1020 L HN -0.017 nan 8.230 nan 0.000 0.432 1021 Y N -1.770 118.200 120.300 -0.550 0.000 2.243 1021 Y HA -0.130 4.404 4.550 -0.026 0.000 0.293 1021 Y C 2.328 178.016 175.900 -0.355 0.000 1.124 1021 Y CA 1.682 59.381 58.100 -0.668 0.000 1.159 1021 Y CB -0.252 37.562 38.460 -1.077 0.000 1.008 1021 Y HN -0.067 nan 8.280 nan 0.000 0.527 1022 V N 1.862 121.630 119.914 -0.242 0.000 2.407 1022 V HA -0.383 3.725 4.120 -0.020 0.000 0.248 1022 V C 2.367 178.234 176.094 -0.377 0.000 1.055 1022 V CA 2.263 64.371 62.300 -0.321 0.000 1.049 1022 V CB -0.652 31.149 31.823 -0.036 0.000 0.662 1022 V HN 0.564 nan 8.190 nan 0.000 0.455 1023 M N 0.034 119.488 119.600 -0.243 0.000 2.108 1023 M HA -0.175 4.293 4.480 -0.020 0.000 0.261 1023 M C 2.342 178.497 176.300 -0.242 0.000 1.066 1023 M CA 2.499 57.676 55.300 -0.205 0.000 1.107 1023 M CB -1.220 31.305 32.600 -0.126 0.000 1.356 1023 M HN 0.339 nan 8.290 nan 0.000 0.406 1024 A N 0.429 123.088 122.820 -0.269 0.000 1.873 1024 A HA -0.123 4.185 4.320 -0.020 0.000 0.215 1024 A C 2.163 179.583 177.584 -0.273 0.000 1.186 1024 A CA 1.264 53.170 52.037 -0.219 0.000 0.616 1024 A CB -0.634 18.256 19.000 -0.184 0.000 0.823 1024 A HN 0.598 nan 8.150 nan 0.000 0.442 1025 Q N 0.318 119.833 119.800 -0.475 0.000 2.435 1025 Q HA 0.057 4.385 4.340 -0.020 0.000 0.207 1025 Q C 0.166 175.874 176.000 -0.487 0.000 0.956 1025 Q CA 0.378 55.907 55.803 -0.457 0.000 0.917 1025 Q CB 0.027 28.368 28.738 -0.662 0.000 0.997 1025 Q HN 0.559 nan 8.270 nan 0.000 0.497 1026 S N -0.796 114.557 115.700 -0.578 0.000 2.646 1026 S HA 0.310 4.767 4.470 -0.020 0.000 0.276 1026 S C 1.183 175.609 174.600 -0.291 0.000 1.222 1026 S CA -0.290 57.550 58.200 -0.600 0.000 1.014 1026 S CB 1.487 64.284 63.200 -0.672 0.000 0.991 1026 S HN 0.386 nan 8.310 nan 0.000 0.533 1027 G N 0.636 109.325 108.800 -0.185 0.000 2.537 1027 G HA2 0.056 4.004 3.960 -0.020 0.000 0.220 1027 G HA3 0.056 4.004 3.960 -0.020 0.000 0.220 1027 G C 0.618 175.460 174.900 -0.096 0.000 1.111 1027 G CA 0.721 45.758 45.100 -0.106 0.000 0.748 1027 G HN 0.889 nan 8.290 nan 0.000 0.564 1028 A N -0.087 122.661 122.820 -0.120 0.000 2.261 1028 A HA 0.495 4.803 4.320 -0.020 0.000 0.275 1028 A C 0.872 178.405 177.584 -0.084 0.000 1.246 1028 A CA -0.467 51.518 52.037 -0.088 0.000 0.810 1028 A CB 0.166 19.111 19.000 -0.092 0.000 1.168 1028 A HN 0.309 nan 8.150 nan 0.000 0.506 1029 R N -0.530 119.933 120.500 -0.061 0.000 2.484 1029 R HA 0.394 4.722 4.340 -0.020 0.000 0.293 1029 R C 0.148 176.411 176.300 -0.062 0.000 1.023 1029 R CA 1.246 57.317 56.100 -0.050 0.000 1.037 1029 R CB -0.088 30.192 30.300 -0.033 0.000 0.951 1029 R HN 1.125 nan 8.270 nan 0.000 0.418 1030 G N 2.370 111.143 108.800 -0.046 0.000 2.308 1030 G HA2 -0.050 3.898 3.960 -0.020 0.000 0.288 1030 G HA3 -0.050 3.898 3.960 -0.020 0.000 0.288 1030 G C -1.832 173.066 174.900 -0.003 0.000 1.722 1030 G CA -0.882 44.198 45.100 -0.034 0.000 0.924 1030 G HN 0.488 nan 8.290 nan 0.000 0.732 1031 N N 2.239 120.960 118.700 0.034 0.000 2.346 1031 N HA 0.523 5.251 4.740 -0.020 0.000 0.289 1031 N C -1.736 173.845 175.510 0.118 0.000 1.027 1031 N CA -1.809 51.273 53.050 0.053 0.000 0.864 1031 N CB 3.306 41.814 38.487 0.034 0.000 1.370 1031 N HN 0.050 nan 8.380 nan 0.000 0.481 1032 P HA -0.165 nan 4.420 nan 0.000 0.216 1032 P C 0.838 178.238 177.300 0.166 0.000 1.154 1032 P CA 1.531 64.752 63.100 0.201 0.000 0.865 1032 P CB 0.451 32.119 31.700 -0.054 0.000 0.789 1033 Q N -1.480 118.370 119.800 0.084 0.000 2.435 1033 Q HA -0.100 4.228 4.340 -0.020 0.000 0.207 1033 Q C 2.083 178.136 176.000 0.089 0.000 0.956 1033 Q CA 0.828 56.673 55.803 0.071 0.000 0.917 1033 Q CB -0.114 28.644 28.738 0.034 0.000 0.997 1033 Q HN 0.344 nan 8.270 nan 0.000 0.497 1034 Q N -0.541 119.321 119.800 0.104 0.000 2.089 1034 Q HA -0.061 4.267 4.340 -0.020 0.000 0.195 1034 Q C 1.755 177.836 176.000 0.134 0.000 0.963 1034 Q CA 0.700 56.570 55.803 0.111 0.000 0.834 1034 Q CB 0.223 29.012 28.738 0.086 0.000 0.906 1034 Q HN 0.364 nan 8.270 nan 0.000 0.452 1035 I N 0.993 121.652 120.570 0.149 0.000 2.248 1035 I HA -0.311 3.847 4.170 -0.020 0.000 0.248 1035 I C 2.252 178.469 176.117 0.166 0.000 1.107 1035 I CA 1.519 62.907 61.300 0.146 0.000 1.373 1035 I CB -1.108 36.982 38.000 0.150 0.000 1.055 1035 I HN 0.287 nan 8.210 nan 0.000 0.418 1036 R N 1.159 121.762 120.500 0.173 0.000 2.193 1036 R HA -0.162 4.165 4.340 -0.020 0.000 0.229 1036 R C 1.931 178.267 176.300 0.060 0.000 1.110 1036 R CA 1.138 57.313 56.100 0.124 0.000 0.988 1036 R CB 0.061 30.421 30.300 0.101 0.000 0.871 1036 R HN 0.535 nan 8.270 nan 0.000 0.458 1037 Q N -0.396 119.444 119.800 0.066 0.000 2.424 1037 Q HA 0.004 4.331 4.340 -0.020 0.000 0.204 1037 Q C 1.458 177.486 176.000 0.045 0.000 0.933 1037 Q CA 0.463 56.252 55.803 -0.024 0.000 0.929 1037 Q CB 0.441 29.187 28.738 0.014 0.000 1.037 1037 Q HN 0.291 nan 8.270 nan 0.000 0.511 1038 L N -1.692 119.627 121.223 0.160 0.000 2.347 1038 L HA 0.034 4.362 4.340 -0.020 0.000 0.196 1038 L C 2.134 179.082 176.870 0.131 0.000 1.072 1038 L CA 0.607 55.571 54.840 0.205 0.000 0.817 1038 L CB -0.586 41.593 42.059 0.200 0.000 1.029 1038 L HN 0.115 nan 8.230 nan 0.000 0.478 1039 C N 0.221 119.597 119.300 0.128 0.000 2.576 1039 C HA 0.320 4.767 4.460 -0.020 0.000 0.281 1039 C C 2.232 177.264 174.990 0.070 0.000 1.292 1039 C CA 0.018 59.105 59.018 0.115 0.000 1.697 1039 C CB -1.524 26.323 27.740 0.179 0.000 2.109 1039 C HN 0.552 nan 8.230 nan 0.000 0.497 1040 G N 0.522 109.365 108.800 0.071 0.000 2.935 1040 G HA2 0.459 4.407 3.960 -0.020 0.000 0.157 1040 G HA3 0.459 4.407 3.960 -0.020 0.000 0.157 1040 G C -0.311 174.591 174.900 0.004 0.000 1.712 1040 G CA 0.449 45.571 45.100 0.037 0.000 1.071 1040 G HN 0.718 nan 8.290 nan 0.000 0.539 1041 L N -1.896 119.315 121.223 -0.020 0.000 2.466 1041 L HA 0.753 5.081 4.340 -0.020 0.000 0.258 1041 L C -0.622 176.190 176.870 -0.095 0.000 0.973 1041 L CA -1.305 53.492 54.840 -0.072 0.000 0.826 1041 L CB 2.391 44.407 42.059 -0.071 0.000 1.372 1041 L HN 0.652 nan 8.230 nan 0.000 0.409 1042 R N 1.456 121.859 120.500 -0.162 0.000 2.207 1042 R HA 0.657 4.985 4.340 -0.020 0.000 0.334 1042 R C -0.045 176.158 176.300 -0.162 0.000 1.013 1042 R CA -0.088 55.921 56.100 -0.151 0.000 0.858 1042 R CB 1.570 31.750 30.300 -0.200 0.000 1.094 1042 R HN 0.893 nan 8.270 nan 0.000 0.457 1043 G N 3.848 112.558 108.800 -0.150 0.000 2.798 1043 G HA2 0.116 4.064 3.960 -0.020 0.000 0.200 1043 G HA3 0.116 4.064 3.960 -0.020 0.000 0.200 1043 G C 0.166 174.947 174.900 -0.199 0.000 1.092 1043 G CA -0.379 44.585 45.100 -0.226 0.000 0.800 1043 G HN 0.399 nan 8.290 nan 0.000 0.566 1044 L N 2.655 123.806 121.223 -0.120 0.000 2.257 1044 L HA 0.506 4.834 4.340 -0.020 0.000 0.290 1044 L C -0.632 176.248 176.870 0.018 0.000 1.044 1044 L CA -0.552 54.255 54.840 -0.056 0.000 0.810 1044 L CB 1.615 43.662 42.059 -0.020 0.000 1.193 1044 L HN 0.079 nan 8.230 nan 0.000 0.425 1045 M N 2.963 122.613 119.600 0.083 0.000 2.436 1045 M HA 0.424 4.892 4.480 -0.020 0.000 0.331 1045 M C -0.373 176.127 176.300 0.334 0.000 1.135 1045 M CA -0.611 54.788 55.300 0.165 0.000 0.987 1045 M CB 1.831 34.515 32.600 0.140 0.000 1.687 1045 M HN 0.476 nan 8.290 nan 0.000 0.445 1046 Q N 1.000 120.932 119.800 0.221 0.000 2.221 1046 Q HA 0.418 4.746 4.340 -0.020 0.000 0.242 1046 Q C -0.291 175.677 176.000 -0.053 0.000 0.940 1046 Q CA -0.574 55.272 55.803 0.070 0.000 0.896 1046 Q CB 1.790 30.533 28.738 0.007 0.000 1.226 1046 Q HN 0.431 nan 8.270 nan 0.000 0.463 1047 K N 1.250 121.298 120.400 -0.587 0.000 2.136 1047 K HA 0.047 4.355 4.320 -0.020 0.000 0.237 1047 K C -1.668 174.692 176.600 -0.400 0.000 1.048 1047 K CA -1.262 54.502 56.287 -0.872 0.000 0.880 1047 K CB -0.139 31.773 32.500 -0.979 0.000 1.105 1047 K HN 0.327 nan 8.250 nan 0.000 0.507 1048 P HA -0.260 nan 4.420 nan 0.000 0.214 1048 P C 1.302 178.553 177.300 -0.081 0.000 1.163 1048 P CA 1.758 64.787 63.100 -0.117 0.000 0.889 1048 P CB 0.065 31.739 31.700 -0.043 0.000 0.790 1049 S N -1.905 113.726 115.700 -0.116 0.000 2.344 1049 S HA -0.014 4.443 4.470 -0.020 0.000 0.217 1049 S C 1.901 176.457 174.600 -0.073 0.000 1.033 1049 S CA 1.678 59.828 58.200 -0.082 0.000 1.017 1049 S CB -1.329 61.813 63.200 -0.097 0.000 0.941 1049 S HN 0.314 nan 8.310 nan 0.000 0.430 1050 G N 0.483 109.221 108.800 -0.104 0.000 3.942 1050 G HA2 0.034 3.982 3.960 -0.020 0.000 0.219 1050 G HA3 0.034 3.982 3.960 -0.020 0.000 0.219 1050 G C -0.693 174.164 174.900 -0.072 0.000 0.869 1050 G CA -0.269 44.790 45.100 -0.068 0.000 0.851 1050 G HN 0.548 nan 8.290 nan 0.000 0.560 1051 E N 2.907 123.038 120.200 -0.114 0.000 2.238 1051 E HA 0.392 4.729 4.350 -0.020 0.000 0.264 1051 E C 0.825 177.350 176.600 -0.125 0.000 1.136 1051 E CA 0.371 56.715 56.400 -0.094 0.000 0.929 1051 E CB 0.556 30.151 29.700 -0.176 0.000 1.010 1051 E HN 0.281 nan 8.360 nan 0.000 0.440 1052 T N 1.831 116.403 114.554 0.029 0.000 2.855 1052 T HA 0.000 4.338 4.350 -0.020 0.000 0.322 1052 T C -0.050 174.675 174.700 0.042 0.000 1.088 1052 T CA -0.410 61.710 62.100 0.033 0.000 1.104 1052 T CB 0.209 69.137 68.868 0.099 0.000 0.996 1052 T HN 0.305 nan 8.240 nan 0.000 0.549 1053 F N 1.484 121.485 119.950 0.085 0.000 2.418 1053 F HA 0.272 4.787 4.527 -0.021 0.000 0.341 1053 F C 1.874 177.754 175.800 0.133 0.000 1.120 1053 F CA -0.227 57.823 58.000 0.083 0.000 1.232 1053 F CB 0.851 39.867 39.000 0.027 0.000 1.175 1053 F HN 0.906 nan 8.300 nan 0.000 0.569 1054 E N 1.030 121.469 120.200 0.399 0.000 2.072 1054 E HA -0.069 4.268 4.350 -0.020 0.000 0.191 1054 E C -0.178 176.562 176.600 0.233 0.000 0.985 1054 E CA 0.681 57.279 56.400 0.330 0.000 0.801 1054 E CB 0.278 30.146 29.700 0.280 0.000 0.750 1054 E HN 0.309 nan 8.360 nan 0.000 0.452 1055 V N 3.042 123.056 119.914 0.166 0.000 2.432 1055 V HA 0.268 4.376 4.120 -0.020 0.000 0.275 1055 V C -2.130 173.887 176.094 -0.129 0.000 1.043 1055 V CA -1.558 60.755 62.300 0.023 0.000 0.925 1055 V CB 1.120 32.940 31.823 -0.005 0.000 0.985 1055 V HN 0.206 nan 8.190 nan 0.000 0.466 1056 P HA 0.312 nan 4.420 nan 0.000 0.279 1056 P C -0.814 176.286 177.300 -0.333 0.000 1.276 1056 P CA -0.508 62.303 63.100 -0.482 0.000 0.801 1056 P CB 0.702 31.778 31.700 -1.040 0.000 1.127 1057 V N 2.715 122.461 119.914 -0.279 0.000 2.339 1057 V HA 0.165 4.272 4.120 -0.020 0.000 0.261 1057 V C 1.658 177.622 176.094 -0.216 0.000 1.058 1057 V CA 0.111 62.288 62.300 -0.205 0.000 0.897 1057 V CB -0.058 31.669 31.823 -0.160 0.000 1.052 1057 V HN 0.494 nan 8.190 nan 0.000 0.480 1058 R N 1.988 122.375 120.500 -0.189 0.000 2.189 1058 R HA -0.037 4.291 4.340 -0.020 0.000 0.223 1058 R C 1.326 177.564 176.300 -0.103 0.000 1.092 1058 R CA 0.853 56.863 56.100 -0.151 0.000 0.989 1058 R CB 0.136 30.377 30.300 -0.098 0.000 0.876 1058 R HN 0.761 nan 8.270 nan 0.000 0.457 1059 S N 0.162 115.802 115.700 -0.101 0.000 2.645 1059 S HA 0.271 4.728 4.470 -0.020 0.000 0.266 1059 S C 0.303 174.827 174.600 -0.127 0.000 1.258 1059 S CA -0.845 57.305 58.200 -0.083 0.000 0.990 1059 S CB 1.708 64.872 63.200 -0.060 0.000 0.967 1059 S HN 0.164 nan 8.310 nan 0.000 0.556 1060 S N -0.145 115.499 115.700 -0.092 0.000 2.766 1060 S HA 0.616 5.073 4.470 -0.020 0.000 0.307 1060 S C 0.009 174.566 174.600 -0.071 0.000 1.121 1060 S CA -0.763 57.374 58.200 -0.105 0.000 0.980 1060 S CB 0.170 63.363 63.200 -0.011 0.000 1.159 1060 S HN 0.550 nan 8.310 nan 0.000 0.546 1061 F N 0.516 120.485 119.950 0.032 0.000 2.512 1061 F HA 0.304 4.818 4.527 -0.021 0.000 0.296 1061 F C 2.569 178.381 175.800 0.019 0.000 1.110 1061 F CA 0.059 58.078 58.000 0.031 0.000 1.446 1061 F CB -0.520 38.503 39.000 0.037 0.000 1.092 1061 F HN 0.619 nan 8.300 nan 0.000 0.554 1062 R N 0.598 121.220 120.500 0.204 0.000 2.091 1062 R HA -0.145 4.182 4.340 -0.020 0.000 0.238 1062 R C 0.786 177.140 176.300 0.089 0.000 1.136 1062 R CA 1.278 57.451 56.100 0.122 0.000 0.959 1062 R CB -0.102 30.251 30.300 0.087 0.000 0.856 1062 R HN 0.261 nan 8.270 nan 0.000 0.437 1063 E N -1.331 118.914 120.200 0.075 0.000 2.232 1063 E HA 0.266 4.603 4.350 -0.020 0.000 0.265 1063 E C -0.895 175.739 176.600 0.056 0.000 1.001 1063 E CA -0.511 55.919 56.400 0.049 0.000 0.870 1063 E CB 1.276 30.992 29.700 0.028 0.000 1.175 1063 E HN 0.333 nan 8.360 nan 0.000 0.407 1064 G N 2.943 111.762 108.800 0.033 0.000 2.230 1064 G HA2 -0.021 3.927 3.960 -0.020 0.000 0.282 1064 G HA3 -0.021 3.927 3.960 -0.020 0.000 0.282 1064 G C -0.022 174.890 174.900 0.021 0.000 0.999 1064 G CA -0.008 45.105 45.100 0.022 0.000 1.326 1064 G HN 0.323 nan 8.290 nan 0.000 0.397 1065 L N 4.191 125.449 121.223 0.059 0.000 2.654 1065 L HA 0.215 4.543 4.340 -0.020 0.000 0.271 1065 L C 0.987 177.859 176.870 0.004 0.000 1.169 1065 L CA 0.091 54.957 54.840 0.044 0.000 0.947 1065 L CB -0.471 41.678 42.059 0.150 0.000 1.232 1065 L HN 0.370 nan 8.230 nan 0.000 0.486 1066 T N 3.322 117.876 114.554 -0.000 0.000 2.619 1066 T HA 0.110 4.448 4.350 -0.020 0.000 0.330 1066 T C 1.546 176.247 174.700 0.001 0.000 1.037 1066 T CA 0.163 62.255 62.100 -0.013 0.000 1.005 1066 T CB 0.572 69.433 68.868 -0.011 0.000 1.084 1066 T HN 0.491 nan 8.240 nan 0.000 0.521 1067 V N 1.333 121.246 119.914 -0.001 0.000 2.261 1067 V HA -0.090 4.018 4.120 -0.020 0.000 0.246 1067 V C 2.561 178.720 176.094 0.107 0.000 1.047 1067 V CA 1.720 64.039 62.300 0.031 0.000 1.015 1067 V CB -0.819 31.011 31.823 0.011 0.000 0.642 1067 V HN 0.644 nan 8.190 nan 0.000 0.446 1068 L N -0.287 120.968 121.223 0.054 0.000 2.049 1068 L HA -0.062 4.266 4.340 -0.020 0.000 0.203 1068 L C 2.562 179.481 176.870 0.083 0.000 1.074 1068 L CA 1.607 56.475 54.840 0.047 0.000 0.749 1068 L CB -0.643 41.391 42.059 -0.042 0.000 0.907 1068 L HN 0.296 nan 8.230 nan 0.000 0.439 1069 E N -1.331 118.890 120.200 0.035 0.000 2.253 1069 E HA -0.335 4.002 4.350 -0.020 0.000 0.202 1069 E C 1.919 178.577 176.600 0.097 0.000 1.014 1069 E CA 1.821 58.227 56.400 0.010 0.000 0.823 1069 E CB -0.348 29.341 29.700 -0.017 0.000 0.736 1069 E HN 0.536 nan 8.360 nan 0.000 0.478 1070 Y N 0.120 120.432 120.300 0.019 0.000 2.060 1070 Y HA -0.301 4.236 4.550 -0.021 0.000 0.276 1070 Y C 2.225 178.156 175.900 0.052 0.000 1.127 1070 Y CA 1.521 59.648 58.100 0.044 0.000 1.104 1070 Y CB -0.327 38.173 38.460 0.067 0.000 0.983 1070 Y HN -0.020 nan 8.280 nan 0.000 0.483 1071 F N 0.470 120.448 119.950 0.047 0.000 2.111 1071 F HA -0.384 4.130 4.527 -0.021 0.000 0.300 1071 F C 2.063 177.784 175.800 -0.132 0.000 1.088 1071 F CA 1.528 59.479 58.000 -0.081 0.000 1.243 1071 F CB -0.505 38.480 39.000 -0.026 0.000 0.996 1071 F HN 0.091 nan 8.300 nan 0.000 0.483 1072 I N -0.618 120.067 120.570 0.192 0.000 2.163 1072 I HA -0.287 3.871 4.170 -0.020 0.000 0.243 1072 I C 2.491 178.709 176.117 0.168 0.000 1.085 1072 I CA 1.564 62.924 61.300 0.100 0.000 1.347 1072 I CB -1.693 36.152 38.000 -0.257 0.000 1.044 1072 I HN 0.083 nan 8.210 nan 0.000 0.408 1073 S N 0.640 116.346 115.700 0.010 0.000 2.428 1073 S HA -0.129 4.328 4.470 -0.020 0.000 0.230 1073 S C 2.160 176.706 174.600 -0.090 0.000 1.014 1073 S CA 1.285 59.471 58.200 -0.024 0.000 0.957 1073 S CB -0.262 62.890 63.200 -0.080 0.000 0.784 1073 S HN 0.636 nan 8.310 nan 0.000 0.499 1074 S N 2.534 118.084 115.700 -0.251 0.000 2.365 1074 S HA -0.284 4.174 4.470 -0.020 0.000 0.225 1074 S C 1.744 176.199 174.600 -0.241 0.000 1.039 1074 S CA 1.403 59.385 58.200 -0.364 0.000 1.033 1074 S CB -0.920 61.915 63.200 -0.609 0.000 0.887 1074 S HN 0.630 nan 8.310 nan 0.000 0.447 1075 H N 1.297 120.308 119.070 -0.099 0.000 2.267 1075 H HA -0.122 4.421 4.556 -0.021 0.000 0.291 1075 H C 2.572 177.888 175.328 -0.019 0.000 1.094 1075 H CA 1.762 57.795 56.048 -0.025 0.000 1.227 1075 H CB -1.330 28.489 29.762 0.094 0.000 1.351 1075 H HN 0.624 nan 8.280 nan 0.000 0.483 1076 G N 0.382 109.269 108.800 0.145 0.000 2.470 1076 G HA2 -0.128 3.819 3.960 -0.020 0.000 0.220 1076 G HA3 -0.128 3.819 3.960 -0.020 0.000 0.220 1076 G C 1.961 176.869 174.900 0.014 0.000 1.121 1076 G CA 1.023 46.163 45.100 0.068 0.000 0.766 1076 G HN 0.549 nan 8.290 nan 0.000 0.553 1077 A N 1.160 123.967 122.820 -0.023 0.000 1.835 1077 A HA -0.034 4.274 4.320 -0.020 0.000 0.215 1077 A C 2.433 179.993 177.584 -0.040 0.000 1.199 1077 A CA 1.626 53.634 52.037 -0.049 0.000 0.615 1077 A CB -0.506 18.433 19.000 -0.100 0.000 0.838 1077 A HN 0.310 nan 8.150 nan 0.000 0.444 1078 R N 0.170 120.640 120.500 -0.049 0.000 2.096 1078 R HA -0.217 4.111 4.340 -0.020 0.000 0.240 1078 R C 2.378 178.667 176.300 -0.018 0.000 1.139 1078 R CA 1.929 58.006 56.100 -0.038 0.000 0.952 1078 R CB -0.530 29.745 30.300 -0.043 0.000 0.854 1078 R HN 0.817 nan 8.270 nan 0.000 0.436 1079 K N -0.074 120.323 120.400 -0.004 0.000 2.113 1079 K HA -0.127 4.180 4.320 -0.020 0.000 0.208 1079 K C 2.006 178.599 176.600 -0.011 0.000 1.047 1079 K CA 1.887 58.172 56.287 -0.002 0.000 0.928 1079 K CB -0.426 32.078 32.500 0.008 0.000 0.716 1079 K HN 0.200 nan 8.250 nan 0.000 0.446 1080 G N 0.591 109.383 108.800 -0.014 0.000 2.396 1080 G HA2 -0.080 3.868 3.960 -0.020 0.000 0.214 1080 G HA3 -0.080 3.868 3.960 -0.020 0.000 0.214 1080 G C 1.629 176.516 174.900 -0.023 0.000 1.166 1080 G CA 0.492 45.581 45.100 -0.019 0.000 0.793 1080 G HN 0.463 nan 8.290 nan 0.000 0.533 1081 G N 1.162 109.947 108.800 -0.023 0.000 2.418 1081 G HA2 0.058 4.006 3.960 -0.020 0.000 0.217 1081 G HA3 0.058 4.006 3.960 -0.020 0.000 0.217 1081 G C 2.017 176.905 174.900 -0.020 0.000 1.158 1081 G CA 1.488 46.574 45.100 -0.024 0.000 0.771 1081 G HN 0.601 nan 8.290 nan 0.000 0.545 1082 A N 0.717 123.526 122.820 -0.018 0.000 1.969 1082 A HA 0.021 4.329 4.320 -0.020 0.000 0.218 1082 A C 2.044 179.618 177.584 -0.017 0.000 1.169 1082 A CA 2.035 54.064 52.037 -0.013 0.000 0.635 1082 A CB -0.348 18.647 19.000 -0.008 0.000 0.810 1082 A HN 0.300 nan 8.150 nan 0.000 0.445 1083 D N -0.382 120.004 120.400 -0.023 0.000 2.097 1083 D HA -0.122 4.505 4.640 -0.020 0.000 0.195 1083 D C 2.441 178.718 176.300 -0.039 0.000 0.989 1083 D CA 2.209 56.187 54.000 -0.036 0.000 0.827 1083 D CB -0.266 40.510 40.800 -0.039 0.000 0.966 1083 D HN 0.589 nan 8.370 nan 0.000 0.456 1084 T N -1.418 113.116 114.554 -0.033 0.000 2.720 1084 T HA -0.138 4.200 4.350 -0.020 0.000 0.268 1084 T C 2.070 176.756 174.700 -0.023 0.000 1.037 1084 T CA 1.538 63.619 62.100 -0.031 0.000 1.144 1084 T CB -0.547 68.305 68.868 -0.027 0.000 0.864 1084 T HN 0.079 nan 8.240 nan 0.000 0.444 1085 A N 1.709 124.519 122.820 -0.016 0.000 1.898 1085 A HA 0.197 4.505 4.320 -0.020 0.000 0.216 1085 A C 2.461 180.046 177.584 0.000 0.000 1.181 1085 A CA 1.407 53.441 52.037 -0.006 0.000 0.620 1085 A CB -0.797 18.201 19.000 -0.003 0.000 0.819 1085 A HN 0.566 nan 8.150 nan 0.000 0.442 1086 L N -1.391 119.829 121.223 -0.005 0.000 2.179 1086 L HA -0.059 4.268 4.340 -0.020 0.000 0.208 1086 L C 2.714 179.571 176.870 -0.021 0.000 1.096 1086 L CA 0.969 55.810 54.840 0.003 0.000 0.779 1086 L CB -0.416 41.643 42.059 0.001 0.000 0.922 1086 L HN 0.289 nan 8.230 nan 0.000 0.443 1087 R N -0.690 119.779 120.500 -0.052 0.000 2.119 1087 R HA -0.045 4.282 4.340 -0.020 0.000 0.222 1087 R C 2.270 178.548 176.300 -0.037 0.000 1.088 1087 R CA 1.286 57.339 56.100 -0.077 0.000 0.984 1087 R CB -0.550 29.695 30.300 -0.092 0.000 0.884 1087 R HN 0.192 nan 8.270 nan 0.000 0.447 1088 T N 1.000 115.543 114.554 -0.019 0.000 2.737 1088 T HA -0.189 4.149 4.350 -0.020 0.000 0.269 1088 T C 1.830 176.544 174.700 0.022 0.000 1.040 1088 T CA 1.730 63.828 62.100 -0.002 0.000 1.142 1088 T CB -0.114 68.754 68.868 0.000 0.000 0.861 1088 T HN 0.416 nan 8.240 nan 0.000 0.456 1089 A N 0.692 123.537 122.820 0.041 0.000 2.021 1089 A HA 0.057 4.365 4.320 -0.020 0.000 0.216 1089 A C 1.915 179.578 177.584 0.132 0.000 1.163 1089 A CA 1.212 53.298 52.037 0.081 0.000 0.676 1089 A CB -0.248 18.806 19.000 0.090 0.000 0.818 1089 A HN 0.377 nan 8.150 nan 0.000 0.453 1090 D N -0.026 120.434 120.400 0.100 0.000 2.234 1090 D HA -0.074 4.554 4.640 -0.020 0.000 0.205 1090 D C 2.275 178.626 176.300 0.085 0.000 0.962 1090 D CA 1.282 55.349 54.000 0.110 0.000 0.855 1090 D CB 0.004 40.742 40.800 -0.103 0.000 0.951 1090 D HN 0.529 nan 8.370 nan 0.000 0.500 1091 S N -0.599 115.122 115.700 0.035 0.000 2.440 1091 S HA -0.093 4.365 4.470 -0.020 0.000 0.238 1091 S C 2.078 176.717 174.600 0.065 0.000 1.010 1091 S CA 1.050 59.267 58.200 0.029 0.000 0.972 1091 S CB -0.548 62.653 63.200 0.002 0.000 0.774 1091 S HN 0.286 nan 8.310 nan 0.000 0.501 1092 G N -0.342 108.516 108.800 0.097 0.000 2.492 1092 G HA2 -0.003 3.945 3.960 -0.020 0.000 0.214 1092 G HA3 -0.003 3.945 3.960 -0.020 0.000 0.214 1092 G C 1.152 176.144 174.900 0.153 0.000 1.147 1092 G CA 0.328 45.489 45.100 0.102 0.000 0.809 1092 G HN 0.479 nan 8.290 nan 0.000 0.533 1093 Y N 0.999 121.325 120.300 0.043 0.000 2.114 1093 Y HA -0.078 4.460 4.550 -0.020 0.000 0.284 1093 Y C 2.477 178.397 175.900 0.033 0.000 1.143 1093 Y CA 1.376 59.512 58.100 0.059 0.000 1.135 1093 Y CB -0.500 38.027 38.460 0.111 0.000 0.980 1093 Y HN 0.120 nan 8.280 nan 0.000 0.499 1094 L N -0.051 121.366 121.223 0.322 0.000 2.042 1094 L HA -0.189 4.138 4.340 -0.020 0.000 0.210 1094 L C 2.404 179.303 176.870 0.048 0.000 1.076 1094 L CA 2.705 57.640 54.840 0.157 0.000 0.749 1094 L CB -1.231 40.871 42.059 0.072 0.000 0.893 1094 L HN 0.511 nan 8.230 nan 0.000 0.432 1095 T N -2.858 111.728 114.554 0.052 0.000 2.698 1095 T HA -0.173 4.164 4.350 -0.020 0.000 0.260 1095 T C 2.025 176.728 174.700 0.005 0.000 1.044 1095 T CA 1.048 63.156 62.100 0.013 0.000 1.149 1095 T CB -0.527 68.358 68.868 0.027 0.000 0.864 1095 T HN 0.255 nan 8.240 nan 0.000 0.419 1096 R N 1.508 122.021 120.500 0.022 0.000 2.133 1096 R HA -0.137 4.191 4.340 -0.020 0.000 0.245 1096 R C 2.729 179.008 176.300 -0.035 0.000 1.137 1096 R CA 2.031 58.134 56.100 0.005 0.000 0.947 1096 R CB -0.335 29.965 30.300 -0.000 0.000 0.865 1096 R HN 0.459 nan 8.270 nan 0.000 0.437 1097 K N -0.004 120.367 120.400 -0.048 0.000 2.103 1097 K HA -0.158 4.150 4.320 -0.020 0.000 0.207 1097 K C 1.900 178.432 176.600 -0.114 0.000 1.048 1097 K CA 1.157 57.389 56.287 -0.091 0.000 0.930 1097 K CB -0.134 32.350 32.500 -0.027 0.000 0.716 1097 K HN 0.044 nan 8.250 nan 0.000 0.444 1098 L N 0.163 121.317 121.223 -0.115 0.000 2.395 1098 L HA -0.094 4.234 4.340 -0.020 0.000 0.218 1098 L C 1.882 178.724 176.870 -0.046 0.000 1.130 1098 L CA 1.119 55.874 54.840 -0.140 0.000 0.826 1098 L CB -0.035 41.897 42.059 -0.212 0.000 0.941 1098 L HN -0.066 nan 8.230 nan 0.000 0.451 1099 V N -1.972 117.936 119.914 -0.011 0.000 3.174 1099 V HA -0.025 4.083 4.120 -0.020 0.000 0.254 1099 V C 1.792 177.972 176.094 0.145 0.000 1.120 1099 V CA 0.566 62.905 62.300 0.066 0.000 1.114 1099 V CB -0.356 31.502 31.823 0.058 0.000 0.756 1099 V HN 0.262 nan 8.190 nan 0.000 0.467 1100 D N 1.035 121.436 120.400 0.001 0.000 2.178 1100 D HA -0.105 4.523 4.640 -0.020 0.000 0.202 1100 D C 2.104 178.374 176.300 -0.050 0.000 0.974 1100 D CA 1.255 55.159 54.000 -0.160 0.000 0.841 1100 D CB 0.054 40.390 40.800 -0.774 0.000 0.953 1100 D HN 0.385 nan 8.370 nan 0.000 0.478 1101 V N 0.157 120.035 119.914 -0.059 0.000 2.599 1101 V HA -0.069 4.039 4.120 -0.020 0.000 0.245 1101 V C 2.099 178.203 176.094 0.017 0.000 1.046 1101 V CA 1.436 63.724 62.300 -0.019 0.000 1.065 1101 V CB -0.422 31.394 31.823 -0.012 0.000 0.703 1101 V HN 0.119 nan 8.190 nan 0.000 0.464 1102 T N 0.049 114.634 114.554 0.051 0.000 3.060 1102 T HA 0.011 4.348 4.350 -0.020 0.000 0.249 1102 T C 1.709 176.441 174.700 0.054 0.000 1.079 1102 T CA 0.593 62.721 62.100 0.046 0.000 1.013 1102 T CB -0.312 68.594 68.868 0.063 0.000 0.975 1102 T HN 0.757 nan 8.240 nan 0.000 0.518 1103 H N 3.068 122.169 119.070 0.051 0.000 2.319 1103 H HA -0.131 4.413 4.556 -0.021 0.000 0.299 1103 H C 1.926 177.281 175.328 0.045 0.000 1.092 1103 H CA 1.794 57.873 56.048 0.052 0.000 1.302 1103 H CB -0.559 29.242 29.762 0.065 0.000 1.373 1103 H HN 0.596 nan 8.280 nan 0.000 0.497 1104 E N 1.573 121.536 120.200 -0.394 0.000 2.160 1104 E HA -0.116 4.222 4.350 -0.020 0.000 0.195 1104 E C 0.670 177.236 176.600 -0.057 0.000 0.991 1104 E CA 0.312 56.577 56.400 -0.226 0.000 0.810 1104 E CB -0.201 29.325 29.700 -0.290 0.000 0.742 1104 E HN 0.308 nan 8.360 nan 0.000 0.466 1105 I N 2.834 123.390 120.570 -0.023 0.000 2.664 1105 I HA -0.005 4.153 4.170 -0.020 0.000 0.284 1105 I C -0.052 176.089 176.117 0.039 0.000 1.154 1105 I CA 0.371 61.691 61.300 0.032 0.000 1.402 1105 I CB 0.317 38.350 38.000 0.054 0.000 1.395 1105 I HN -0.047 nan 8.210 nan 0.000 0.545 1106 V N 6.979 126.916 119.914 0.038 0.000 3.012 1106 V HA 0.267 4.375 4.120 -0.020 0.000 0.307 1106 V C -0.125 175.974 176.094 0.007 0.000 1.166 1106 V CA -0.932 61.378 62.300 0.017 0.000 0.974 1106 V CB 2.324 34.155 31.823 0.015 0.000 1.040 1106 V HN 0.286 nan 8.190 nan 0.000 0.428 1107 V N 5.058 124.952 119.914 -0.033 0.000 2.403 1107 V HA 0.286 4.393 4.120 -0.020 0.000 0.265 1107 V C 0.438 176.507 176.094 -0.042 0.000 1.034 1107 V CA 0.031 62.302 62.300 -0.048 0.000 1.036 1107 V CB -0.221 31.532 31.823 -0.117 0.000 1.032 1107 V HN 0.897 nan 8.190 nan 0.000 0.478 1108 R N 4.357 124.843 120.500 -0.022 0.000 2.468 1108 R HA 0.776 5.103 4.340 -0.020 0.000 0.302 1108 R C -0.690 175.588 176.300 -0.038 0.000 1.041 1108 R CA -0.760 55.324 56.100 -0.025 0.000 0.899 1108 R CB 2.023 32.338 30.300 0.025 0.000 1.167 1108 R HN 0.779 nan 8.270 nan 0.000 0.483 1109 E N 2.058 122.201 120.200 -0.096 0.000 2.331 1109 E HA 0.721 5.058 4.350 -0.020 0.000 0.263 1109 E C -1.858 174.672 176.600 -0.116 0.000 1.224 1109 E CA -1.034 55.323 56.400 -0.072 0.000 0.898 1109 E CB 0.796 30.471 29.700 -0.042 0.000 1.591 1109 E HN 0.614 nan 8.360 nan 0.000 0.463 1110 A N 0.673 123.458 122.820 -0.058 0.000 2.549 1110 A HA 0.585 4.893 4.320 -0.020 0.000 0.297 1110 A C -1.672 175.905 177.584 -0.012 0.000 1.061 1110 A CA -0.504 51.511 52.037 -0.035 0.000 0.690 1110 A CB 1.012 20.006 19.000 -0.011 0.000 1.287 1110 A HN 0.741 nan 8.150 nan 0.000 0.402 1111 D N 1.251 121.651 120.400 0.000 0.000 2.659 1111 D HA 0.136 4.764 4.640 -0.020 0.000 0.264 1111 D C 0.884 177.187 176.300 0.005 0.000 1.329 1111 D CA 0.211 54.215 54.000 0.007 0.000 0.963 1111 D CB -0.841 39.963 40.800 0.007 0.000 1.136 1111 D HN 0.844 nan 8.370 nan 0.000 0.554 1112 C N 2.127 121.430 119.300 0.006 0.000 2.523 1112 C HA 0.410 4.858 4.460 -0.020 0.000 0.406 1112 C C 1.954 176.949 174.990 0.009 0.000 1.449 1112 C CA -0.135 58.887 59.018 0.006 0.000 1.588 1112 C CB -0.341 27.403 27.740 0.006 0.000 2.514 1112 C HN 0.700 nan 8.230 nan 0.000 0.606 1113 G N 3.292 112.098 108.800 0.009 0.000 2.559 1113 G HA2 0.027 3.974 3.960 -0.020 0.000 0.216 1113 G HA3 0.027 3.974 3.960 -0.020 0.000 0.216 1113 G C 0.875 175.787 174.900 0.020 0.000 1.126 1113 G CA 0.858 45.966 45.100 0.013 0.000 0.778 1113 G HN 0.939 nan 8.290 nan 0.000 0.543 1114 T N 2.019 116.585 114.554 0.020 0.000 2.775 1114 T HA 0.345 4.683 4.350 -0.020 0.000 0.281 1114 T C 0.070 174.796 174.700 0.043 0.000 0.908 1114 T CA -0.100 62.017 62.100 0.028 0.000 1.123 1114 T CB -0.162 68.718 68.868 0.021 0.000 0.879 1114 T HN 0.033 nan 8.240 nan 0.000 0.547 1115 T N 7.255 121.843 114.554 0.057 0.000 3.016 1115 T HA 0.324 4.661 4.350 -0.020 0.000 0.335 1115 T C -0.081 174.697 174.700 0.130 0.000 1.176 1115 T CA -0.826 61.333 62.100 0.098 0.000 0.987 1115 T CB -0.354 68.574 68.868 0.100 0.000 1.073 1115 T HN 0.680 nan 8.240 nan 0.000 0.547 1116 N N 3.370 122.131 118.700 0.103 0.000 2.399 1116 N HA 0.492 5.219 4.740 -0.020 0.000 0.284 1116 N C -1.191 174.343 175.510 0.039 0.000 1.025 1116 N CA -0.871 52.186 53.050 0.012 0.000 0.885 1116 N CB 2.189 40.660 38.487 -0.027 0.000 1.339 1116 N HN 0.585 nan 8.380 nan 0.000 0.487 1117 Y N -0.346 119.951 120.300 -0.004 0.000 2.634 1117 Y HA 0.686 5.224 4.550 -0.020 0.000 0.340 1117 Y C -0.949 174.947 175.900 -0.008 0.000 1.058 1117 Y CA -1.382 56.711 58.100 -0.011 0.000 1.081 1117 Y CB 1.035 39.484 38.460 -0.019 0.000 1.295 1117 Y HN 0.200 nan 8.280 nan 0.000 0.487 1118 I N 1.522 122.194 120.570 0.172 0.000 2.577 1118 I HA 0.373 4.531 4.170 -0.020 0.000 0.305 1118 I C -0.389 175.849 176.117 0.201 0.000 0.986 1118 I CA -0.794 60.561 61.300 0.093 0.000 1.189 1118 I CB 1.773 39.799 38.000 0.044 0.000 1.355 1118 I HN 0.708 nan 8.210 nan 0.000 0.476 1119 S N 3.902 119.678 115.700 0.127 0.000 2.438 1119 S HA 0.445 4.902 4.470 -0.020 0.000 0.316 1119 S C -0.215 174.420 174.600 0.058 0.000 1.084 1119 S CA -0.548 57.727 58.200 0.125 0.000 1.107 1119 S CB 1.399 64.675 63.200 0.128 0.000 0.981 1119 S HN 0.287 nan 8.310 nan 0.000 0.466 1120 V N 6.298 126.233 119.914 0.035 0.000 2.408 1120 V HA 0.260 4.368 4.120 -0.020 0.000 0.267 1120 V C -2.222 173.874 176.094 0.003 0.000 1.047 1120 V CA -1.866 60.434 62.300 -0.001 0.000 0.937 1120 V CB 0.530 32.334 31.823 -0.032 0.000 0.999 1120 V HN 0.595 nan 8.190 nan 0.000 0.472 1121 P HA 0.218 nan 4.420 nan 0.000 0.275 1121 P C 0.022 177.303 177.300 -0.032 0.000 1.228 1121 P CA -0.231 62.888 63.100 0.031 0.000 0.786 1121 P CB 0.798 32.523 31.700 0.042 0.000 0.927 1122 L N 1.870 123.071 121.223 -0.036 0.000 2.766 1122 L HA 0.367 4.694 4.340 -0.020 0.000 0.242 1122 L C -0.307 176.151 176.870 -0.685 0.000 1.136 1122 L CA 0.536 55.163 54.840 -0.355 0.000 0.933 1122 L CB -0.425 41.361 42.059 -0.455 0.000 1.241 1122 L HN 0.286 nan 8.230 nan 0.000 0.522 1123 F N -0.386 119.552 119.950 -0.021 0.000 2.578 1123 F HA 0.495 5.010 4.527 -0.020 0.000 0.311 1123 F C -0.012 175.779 175.800 -0.016 0.000 1.094 1123 F CA -1.008 56.982 58.000 -0.018 0.000 0.923 1123 F CB 1.597 40.589 39.000 -0.013 0.000 1.230 1123 F HN -0.105 nan 8.300 nan 0.000 0.450 1124 Q N 3.243 123.132 119.800 0.148 0.000 2.293 1124 Q HA 0.545 4.872 4.340 -0.020 0.000 0.261 1124 Q C -2.755 173.294 176.000 0.081 0.000 0.960 1124 Q CA -1.885 53.967 55.803 0.080 0.000 0.882 1124 Q CB 2.669 31.425 28.738 0.031 0.000 1.275 1124 Q HN 0.265 nan 8.270 nan 0.000 0.445 1125 P HA -0.075 nan 4.420 nan 0.000 0.209 1125 P C -0.236 177.084 177.300 0.033 0.000 1.203 1125 P CA 0.838 63.965 63.100 0.044 0.000 0.916 1125 P CB 0.240 31.962 31.700 0.038 0.000 0.763 1126 D N -0.570 119.847 120.400 0.028 0.000 2.505 1126 D HA 0.061 4.689 4.640 -0.020 0.000 0.242 1126 D C 0.538 176.849 176.300 0.017 0.000 1.136 1126 D CA 0.036 54.049 54.000 0.021 0.000 0.954 1126 D CB 0.184 40.996 40.800 0.020 0.000 1.002 1126 D HN 0.086 nan 8.370 nan 0.000 0.512 1127 E N 0.697 120.906 120.200 0.016 0.000 2.079 1127 E HA 0.062 4.400 4.350 -0.020 0.000 0.191 1127 E C 0.334 176.940 176.600 0.010 0.000 0.961 1127 E CA 0.369 56.775 56.400 0.010 0.000 0.823 1127 E CB 0.816 30.521 29.700 0.009 0.000 0.789 1127 E HN 0.171 nan 8.360 nan 0.000 0.459 1128 V N 0.849 120.770 119.914 0.012 0.000 2.716 1128 V HA -0.013 4.095 4.120 -0.020 0.000 0.304 1128 V C 1.495 177.597 176.094 0.012 0.000 1.053 1128 V CA 0.290 62.596 62.300 0.011 0.000 0.984 1128 V CB 1.500 33.329 31.823 0.010 0.000 1.021 1128 V HN 0.379 nan 8.190 nan 0.000 0.467 1129 T N 3.480 118.040 114.554 0.011 0.000 2.238 1129 T HA -0.260 4.078 4.350 -0.020 0.000 0.209 1129 T C 0.787 175.495 174.700 0.014 0.000 1.608 1129 T CA 1.946 64.053 62.100 0.012 0.000 1.140 1129 T CB -0.071 68.803 68.868 0.011 0.000 0.854 1129 T HN 0.619 nan 8.240 nan 0.000 0.402 1130 R N 0.431 120.938 120.500 0.012 0.000 2.575 1130 R HA 0.542 4.870 4.340 -0.020 0.000 0.292 1130 R C -1.627 174.678 176.300 0.008 0.000 1.246 1130 R CA -0.163 55.945 56.100 0.012 0.000 0.973 1130 R CB 1.910 32.216 30.300 0.011 0.000 1.187 1130 R HN 0.332 nan 8.270 nan 0.000 0.478 1131 S N 2.816 118.524 115.700 0.013 0.000 2.677 1131 S HA 0.347 4.805 4.470 -0.020 0.000 0.283 1131 S C -1.186 173.431 174.600 0.028 0.000 1.159 1131 S CA -0.677 57.531 58.200 0.013 0.000 1.001 1131 S CB 1.676 64.886 63.200 0.017 0.000 1.032 1131 S HN 0.330 nan 8.310 nan 0.000 0.487 1132 L N 4.799 126.031 121.223 0.015 0.000 2.331 1132 L HA 0.581 4.909 4.340 -0.020 0.000 0.278 1132 L C 0.322 177.282 176.870 0.149 0.000 1.106 1132 L CA 0.417 55.285 54.840 0.048 0.000 0.824 1132 L CB 0.226 42.238 42.059 -0.079 0.000 1.142 1132 L HN 0.745 nan 8.230 nan 0.000 0.443 1133 R N 3.548 124.215 120.500 0.277 0.000 2.707 1133 R HA 0.469 4.797 4.340 -0.020 0.000 0.272 1133 R C -1.396 175.059 176.300 0.258 0.000 1.011 1133 R CA -1.173 55.115 56.100 0.314 0.000 0.893 1133 R CB 0.833 31.211 30.300 0.131 0.000 1.233 1133 R HN 0.362 nan 8.270 nan 0.000 0.464 1134 L N 2.420 123.681 121.223 0.063 0.000 2.578 1134 L HA 0.095 4.422 4.340 -0.020 0.000 0.279 1134 L C 1.000 177.745 176.870 -0.209 0.000 1.227 1134 L CA 0.822 55.453 54.840 -0.349 0.000 0.900 1134 L CB 0.205 42.114 42.059 -0.250 0.000 1.144 1134 L HN 0.574 nan 8.230 nan 0.000 0.496 1135 R N 3.168 123.505 120.500 -0.271 0.000 2.801 1135 R HA 0.136 4.463 4.340 -0.020 0.000 0.273 1135 R C -0.049 176.166 176.300 -0.141 0.000 1.080 1135 R CA -0.479 55.525 56.100 -0.161 0.000 1.197 1135 R CB 0.490 30.692 30.300 -0.163 0.000 1.109 1135 R HN 0.530 nan 8.270 nan 0.000 0.535 1136 K N 1.765 122.103 120.400 -0.104 0.000 2.448 1136 K HA -0.093 4.214 4.320 -0.020 0.000 0.278 1136 K C 1.247 177.781 176.600 -0.109 0.000 1.009 1136 K CA 0.273 56.505 56.287 -0.091 0.000 0.995 1136 K CB 0.625 33.082 32.500 -0.072 0.000 0.917 1136 K HN 0.500 nan 8.250 nan 0.000 0.481 1137 R N 2.737 123.178 120.500 -0.097 0.000 2.136 1137 R HA -0.311 4.016 4.340 -0.020 0.000 0.242 1137 R C 1.915 178.143 176.300 -0.120 0.000 1.131 1137 R CA 2.303 58.339 56.100 -0.107 0.000 0.937 1137 R CB -0.417 29.842 30.300 -0.069 0.000 0.863 1137 R HN 0.831 nan 8.270 nan 0.000 0.435 1138 A N 1.294 124.057 122.820 -0.096 0.000 1.859 1138 A HA -0.265 4.043 4.320 -0.020 0.000 0.217 1138 A C 1.798 179.313 177.584 -0.114 0.000 1.198 1138 A CA 2.204 54.183 52.037 -0.097 0.000 0.629 1138 A CB -0.990 17.967 19.000 -0.073 0.000 0.830 1138 A HN 0.557 nan 8.150 nan 0.000 0.446 1139 D N 0.050 120.387 120.400 -0.106 0.000 2.126 1139 D HA -0.198 4.430 4.640 -0.020 0.000 0.190 1139 D C 1.809 178.022 176.300 -0.145 0.000 1.001 1139 D CA 1.718 55.649 54.000 -0.116 0.000 0.841 1139 D CB -0.561 40.177 40.800 -0.103 0.000 0.949 1139 D HN 0.568 nan 8.370 nan 0.000 0.446 1140 I N 1.058 121.537 120.570 -0.151 0.000 2.208 1140 I HA -0.262 3.896 4.170 -0.020 0.000 0.245 1140 I C 2.270 178.284 176.117 -0.171 0.000 1.097 1140 I CA 1.216 62.417 61.300 -0.166 0.000 1.363 1140 I CB -0.350 37.541 38.000 -0.181 0.000 1.051 1140 I HN 0.033 nan 8.210 nan 0.000 0.413 1141 E N 1.126 121.223 120.200 -0.171 0.000 2.085 1141 E HA -0.254 4.084 4.350 -0.020 0.000 0.194 1141 E C 2.373 178.875 176.600 -0.164 0.000 0.994 1141 E CA 1.377 57.689 56.400 -0.146 0.000 0.801 1141 E CB -0.302 29.309 29.700 -0.148 0.000 0.743 1141 E HN 0.559 nan 8.360 nan 0.000 0.453 1142 A N 1.225 123.912 122.820 -0.222 0.000 1.940 1142 A HA -0.141 4.167 4.320 -0.020 0.000 0.219 1142 A C 2.420 179.644 177.584 -0.600 0.000 1.176 1142 A CA 1.847 53.662 52.037 -0.371 0.000 0.631 1142 A CB -1.032 17.824 19.000 -0.240 0.000 0.814 1142 A HN 0.373 nan 8.150 nan 0.000 0.446 1143 G N -0.894 107.704 108.800 -0.337 0.000 2.408 1143 G HA2 0.112 4.060 3.960 -0.020 0.000 0.215 1143 G HA3 0.112 4.060 3.960 -0.020 0.000 0.215 1143 G C 1.354 176.143 174.900 -0.186 0.000 1.156 1143 G CA 0.949 45.890 45.100 -0.266 0.000 0.793 1143 G HN 0.456 nan 8.290 nan 0.000 0.535 1144 L N -1.455 119.684 121.223 -0.139 0.000 2.701 1144 L HA 0.361 4.688 4.340 -0.020 0.000 0.238 1144 L C 0.692 177.547 176.870 -0.025 0.000 1.106 1144 L CA -0.751 54.044 54.840 -0.075 0.000 0.898 1144 L CB 0.008 42.009 42.059 -0.096 0.000 1.188 1144 L HN 0.084 nan 8.230 nan 0.000 0.508 1145 Y N 2.571 122.810 120.300 -0.101 0.000 2.717 1145 Y HA 0.239 4.776 4.550 -0.021 0.000 0.330 1145 Y C 1.435 177.319 175.900 -0.026 0.000 1.217 1145 Y CA 0.647 58.709 58.100 -0.065 0.000 1.506 1145 Y CB 0.501 38.966 38.460 0.008 0.000 1.268 1145 Y HN 0.256 nan 8.280 nan 0.000 0.561 1146 G N 5.226 113.538 108.800 -0.814 0.000 2.305 1146 G HA2 -0.276 3.672 3.960 -0.020 0.000 0.287 1146 G HA3 -0.276 3.672 3.960 -0.020 0.000 0.287 1146 G C 0.296 175.120 174.900 -0.126 0.000 1.036 1146 G CA 0.123 44.753 45.100 -0.783 0.000 0.887 1146 G HN 0.607 nan 8.290 nan 0.000 0.505 1147 R N -1.289 119.140 120.500 -0.119 0.000 2.607 1147 R HA 0.603 4.931 4.340 -0.020 0.000 0.261 1147 R C -0.004 176.227 176.300 -0.116 0.000 1.051 1147 R CA -0.770 55.303 56.100 -0.045 0.000 1.110 1147 R CB 1.508 31.788 30.300 -0.034 0.000 1.158 1147 R HN 0.109 nan 8.270 nan 0.000 0.543 1148 V N 3.261 123.075 119.914 -0.166 0.000 2.347 1148 V HA 0.240 4.348 4.120 -0.020 0.000 0.280 1148 V C 0.569 176.541 176.094 -0.203 0.000 1.021 1148 V CA -0.643 61.475 62.300 -0.304 0.000 0.847 1148 V CB 1.321 32.895 31.823 -0.415 0.000 0.990 1148 V HN 0.486 nan 8.190 nan 0.000 0.444 1149 L N 4.414 125.522 121.223 -0.192 0.000 2.534 1149 L HA 0.083 4.410 4.340 -0.020 0.000 0.271 1149 L C 1.695 178.446 176.870 -0.197 0.000 1.178 1149 L CA 0.219 54.956 54.840 -0.172 0.000 0.907 1149 L CB 0.762 42.735 42.059 -0.144 0.000 1.164 1149 L HN 0.854 nan 8.230 nan 0.000 0.482 1150 A N 5.932 128.598 122.820 -0.258 0.000 1.898 1150 A HA -0.006 4.302 4.320 -0.020 0.000 0.216 1150 A C 0.963 178.351 177.584 -0.328 0.000 1.181 1150 A CA 1.014 52.859 52.037 -0.319 0.000 0.620 1150 A CB 0.067 18.710 19.000 -0.595 0.000 0.819 1150 A HN 0.716 nan 8.150 nan 0.000 0.442 1151 R N -0.292 119.985 120.500 -0.372 0.000 2.795 1151 R HA 0.416 4.744 4.340 -0.020 0.000 0.275 1151 R C -0.706 175.491 176.300 -0.171 0.000 0.981 1151 R CA -0.737 55.212 56.100 -0.251 0.000 0.917 1151 R CB 1.062 31.193 30.300 -0.281 0.000 1.202 1151 R HN 0.482 nan 8.270 nan 0.000 0.469 1152 E N 1.501 121.634 120.200 -0.111 0.000 2.415 1152 E HA 0.167 4.504 4.350 -0.020 0.000 0.262 1152 E C -1.031 175.527 176.600 -0.069 0.000 1.038 1152 E CA -0.163 56.190 56.400 -0.078 0.000 0.921 1152 E CB 0.875 30.544 29.700 -0.052 0.000 0.950 1152 E HN 0.274 nan 8.360 nan 0.000 0.438 1153 V N 4.134 124.015 119.914 -0.054 0.000 2.488 1153 V HA 0.161 4.269 4.120 -0.020 0.000 0.293 1153 V C -0.494 175.586 176.094 -0.024 0.000 1.027 1153 V CA -0.752 61.524 62.300 -0.040 0.000 0.862 1153 V CB 1.368 33.164 31.823 -0.044 0.000 1.008 1153 V HN 0.781 nan 8.190 nan 0.000 0.428 1154 E N 3.458 123.649 120.200 -0.016 0.000 2.105 1154 E HA 0.498 4.836 4.350 -0.020 0.000 0.285 1154 E C -0.347 176.251 176.600 -0.003 0.000 1.055 1154 E CA -0.168 56.228 56.400 -0.008 0.000 0.843 1154 E CB 1.347 31.044 29.700 -0.006 0.000 1.067 1154 E HN 0.506 nan 8.360 nan 0.000 0.398 1155 V N 4.572 124.486 119.914 0.000 0.000 3.949 1155 V HA 0.025 4.133 4.120 -0.020 0.000 0.195 1155 V C 1.453 177.553 176.094 0.010 0.000 1.114 1155 V CA -0.112 62.191 62.300 0.006 0.000 1.384 1155 V CB -0.300 31.527 31.823 0.006 0.000 1.685 1155 V HN 0.681 nan 8.190 nan 0.000 0.492 1156 L N 0.139 121.369 121.223 0.011 0.000 2.592 1156 L HA 0.400 4.728 4.340 -0.020 0.000 0.227 1156 L C 1.386 178.263 176.870 0.012 0.000 1.127 1156 L CA 1.099 55.947 54.840 0.014 0.000 0.884 1156 L CB 0.595 42.664 42.059 0.017 0.000 1.065 1156 L HN 0.765 nan 8.230 nan 0.000 0.457 1157 G N -1.318 107.487 108.800 0.010 0.000 3.468 1157 G HA2 -0.097 3.850 3.960 -0.020 0.000 0.219 1157 G HA3 -0.097 3.850 3.960 -0.020 0.000 0.219 1157 G C -0.039 174.866 174.900 0.009 0.000 0.968 1157 G CA -0.377 44.729 45.100 0.009 0.000 0.851 1157 G HN -0.058 nan 8.290 nan 0.000 0.524 1158 V N 1.552 121.471 119.914 0.009 0.000 2.743 1158 V HA 0.559 4.666 4.120 -0.020 0.000 0.301 1158 V C 0.405 176.501 176.094 0.004 0.000 1.057 1158 V CA -0.575 61.730 62.300 0.009 0.000 1.006 1158 V CB 1.553 33.383 31.823 0.012 0.000 1.024 1158 V HN 0.250 nan 8.190 nan 0.000 0.473 1159 R N 3.678 124.180 120.500 0.003 0.000 2.471 1159 R HA 0.423 4.750 4.340 -0.020 0.000 0.292 1159 R C -0.864 175.432 176.300 -0.006 0.000 1.192 1159 R CA -0.400 55.698 56.100 -0.003 0.000 1.257 1159 R CB 0.370 30.669 30.300 -0.002 0.000 1.130 1159 R HN 0.592 nan 8.270 nan 0.000 0.558 1160 L N 4.101 125.317 121.223 -0.012 0.000 2.615 1160 L HA -0.033 4.295 4.340 -0.020 0.000 0.271 1160 L C 0.996 177.850 176.870 -0.026 0.000 1.183 1160 L CA 0.507 55.336 54.840 -0.018 0.000 0.933 1160 L CB -0.301 41.740 42.059 -0.030 0.000 1.199 1160 L HN 0.471 nan 8.230 nan 0.000 0.487 1161 E N 3.022 123.211 120.200 -0.019 0.000 2.390 1161 E HA 0.136 4.474 4.350 -0.020 0.000 0.261 1161 E C -0.304 176.268 176.600 -0.046 0.000 1.076 1161 E CA -0.755 55.631 56.400 -0.023 0.000 0.905 1161 E CB 1.028 30.725 29.700 -0.006 0.000 0.984 1161 E HN 0.530 nan 8.360 nan 0.000 0.427 1162 E N 0.235 120.404 120.200 -0.052 0.000 2.383 1162 E HA 0.114 4.452 4.350 -0.020 0.000 0.264 1162 E C 0.733 177.283 176.600 -0.084 0.000 1.050 1162 E CA 0.741 57.094 56.400 -0.078 0.000 0.896 1162 E CB 0.373 30.030 29.700 -0.072 0.000 0.982 1162 E HN 0.789 nan 8.360 nan 0.000 0.424 1163 G N 3.877 112.601 108.800 -0.125 0.000 2.220 1163 G HA2 -0.385 3.562 3.960 -0.020 0.000 0.269 1163 G HA3 -0.385 3.562 3.960 -0.020 0.000 0.269 1163 G C 0.473 175.244 174.900 -0.215 0.000 0.977 1163 G CA 0.708 45.708 45.100 -0.168 0.000 0.634 1163 G HN 0.632 nan 8.290 nan 0.000 0.539 1164 R N 0.131 120.559 120.500 -0.119 0.000 2.489 1164 R HA 0.345 4.673 4.340 -0.020 0.000 0.287 1164 R C -0.290 175.963 176.300 -0.078 0.000 1.053 1164 R CA -0.439 55.639 56.100 -0.037 0.000 1.036 1164 R CB 0.010 30.313 30.300 0.005 0.000 0.966 1164 R HN 0.216 nan 8.270 nan 0.000 0.432 1165 Y N 5.488 125.796 120.300 0.014 0.000 2.480 1165 Y HA 0.091 4.629 4.550 -0.020 0.000 0.341 1165 Y C 0.255 176.084 175.900 -0.118 0.000 1.031 1165 Y CA -0.493 57.600 58.100 -0.012 0.000 1.295 1165 Y CB 0.567 39.118 38.460 0.151 0.000 1.162 1165 Y HN 0.389 nan 8.280 nan 0.000 0.523 1166 L N 2.264 123.417 121.223 -0.117 0.000 2.325 1166 L HA 0.480 4.808 4.340 -0.020 0.000 0.284 1166 L C 0.530 177.142 176.870 -0.430 0.000 1.089 1166 L CA -0.773 53.952 54.840 -0.191 0.000 0.836 1166 L CB 0.242 42.203 42.059 -0.164 0.000 1.184 1166 L HN 0.572 nan 8.230 nan 0.000 0.444 1167 S N 3.045 118.575 115.700 -0.283 0.000 2.596 1167 S HA 0.105 4.563 4.470 -0.020 0.000 0.260 1167 S C 1.012 175.458 174.600 -0.257 0.000 1.336 1167 S CA -0.454 57.562 58.200 -0.307 0.000 0.993 1167 S CB 0.891 64.138 63.200 0.080 0.000 0.923 1167 S HN 0.796 nan 8.310 nan 0.000 0.567 1168 M N 0.807 120.344 119.600 -0.105 0.000 2.149 1168 M HA -0.082 4.386 4.480 -0.020 0.000 0.261 1168 M C 1.522 177.936 176.300 0.190 0.000 1.064 1168 M CA 1.685 57.063 55.300 0.130 0.000 1.102 1168 M CB -1.264 31.529 32.600 0.321 0.000 1.369 1168 M HN 0.859 nan 8.290 nan 0.000 0.408 1169 D N -0.052 120.458 120.400 0.183 0.000 2.144 1169 D HA -0.161 4.467 4.640 -0.020 0.000 0.199 1169 D C 1.309 177.684 176.300 0.124 0.000 0.984 1169 D CA 1.251 55.357 54.000 0.177 0.000 0.834 1169 D CB -0.076 40.803 40.800 0.132 0.000 0.955 1169 D HN 0.402 nan 8.370 nan 0.000 0.465 1170 D N -0.352 120.077 120.400 0.048 0.000 2.149 1170 D HA -0.076 4.552 4.640 -0.020 0.000 0.201 1170 D C 2.086 178.375 176.300 -0.018 0.000 0.972 1170 D CA 0.347 54.352 54.000 0.009 0.000 0.835 1170 D CB -0.061 40.722 40.800 -0.028 0.000 0.966 1170 D HN 0.121 nan 8.370 nan 0.000 0.476 1171 V N 0.976 120.853 119.914 -0.061 0.000 3.305 1171 V HA -0.137 3.971 4.120 -0.020 0.000 0.269 1171 V C 1.803 177.799 176.094 -0.163 0.000 1.157 1171 V CA 1.084 63.312 62.300 -0.120 0.000 1.157 1171 V CB -0.570 31.163 31.823 -0.149 0.000 0.772 1171 V HN 0.293 nan 8.190 nan 0.000 0.498 1172 H N -1.020 118.032 119.070 -0.030 0.000 2.547 1172 H HA 0.194 4.738 4.556 -0.020 0.000 0.272 1172 H C 1.990 177.303 175.328 -0.024 0.000 0.971 1172 H CA 0.963 56.995 56.048 -0.028 0.000 1.245 1172 H CB 0.744 30.494 29.762 -0.020 0.000 1.440 1172 H HN 0.437 nan 8.280 nan 0.000 0.540 1173 L N 0.210 121.484 121.223 0.085 0.000 2.127 1173 L HA -0.018 4.310 4.340 -0.020 0.000 0.203 1173 L C 2.008 178.888 176.870 0.016 0.000 1.080 1173 L CA 0.796 55.664 54.840 0.047 0.000 0.768 1173 L CB -0.298 41.782 42.059 0.035 0.000 0.924 1173 L HN 0.068 nan 8.230 nan 0.000 0.444 1174 L N -0.281 120.937 121.223 -0.009 0.000 2.127 1174 L HA -0.244 4.084 4.340 -0.020 0.000 0.211 1174 L C 2.531 179.380 176.870 -0.035 0.000 1.089 1174 L CA 1.495 56.321 54.840 -0.024 0.000 0.757 1174 L CB -0.586 41.445 42.059 -0.047 0.000 0.899 1174 L HN 0.374 nan 8.230 nan 0.000 0.434 1175 I N -0.104 120.435 120.570 -0.053 0.000 2.233 1175 I HA -0.293 3.864 4.170 -0.020 0.000 0.243 1175 I C 2.701 178.802 176.117 -0.027 0.000 1.093 1175 I CA 1.145 62.402 61.300 -0.073 0.000 1.380 1175 I CB -0.303 37.641 38.000 -0.094 0.000 1.067 1175 I HN 0.246 nan 8.210 nan 0.000 0.413 1176 K N 1.449 121.854 120.400 0.008 0.000 2.113 1176 K HA -0.238 4.070 4.320 -0.020 0.000 0.208 1176 K C 2.134 178.750 176.600 0.026 0.000 1.047 1176 K CA 1.609 57.909 56.287 0.022 0.000 0.928 1176 K CB -0.076 32.443 32.500 0.032 0.000 0.716 1176 K HN 0.312 nan 8.250 nan 0.000 0.446 1177 A N 1.144 123.979 122.820 0.025 0.000 1.845 1177 A HA -0.115 4.192 4.320 -0.020 0.000 0.215 1177 A C 2.367 179.991 177.584 0.066 0.000 1.195 1177 A CA 1.984 54.043 52.037 0.037 0.000 0.616 1177 A CB -1.002 18.015 19.000 0.028 0.000 0.832 1177 A HN 0.478 nan 8.150 nan 0.000 0.443 1178 A N -0.304 122.560 122.820 0.073 0.000 2.024 1178 A HA -0.187 4.121 4.320 -0.020 0.000 0.220 1178 A C 1.861 179.579 177.584 0.223 0.000 1.164 1178 A CA 1.662 53.812 52.037 0.187 0.000 0.643 1178 A CB -0.568 18.469 19.000 0.062 0.000 0.806 1178 A HN 0.682 nan 8.150 nan 0.000 0.451 1179 E N -0.263 119.995 120.200 0.097 0.000 2.077 1179 E HA -0.154 4.184 4.350 -0.020 0.000 0.193 1179 E C 2.303 178.959 176.600 0.094 0.000 0.989 1179 E CA 1.056 57.510 56.400 0.090 0.000 0.800 1179 E CB -0.278 29.447 29.700 0.041 0.000 0.746 1179 E HN 0.650 nan 8.360 nan 0.000 0.452 1180 A N 0.266 123.130 122.820 0.074 0.000 1.968 1180 A HA 0.083 4.391 4.320 -0.020 0.000 0.217 1180 A C 1.869 179.488 177.584 0.057 0.000 1.169 1180 A CA 1.460 53.529 52.037 0.054 0.000 0.638 1180 A CB -0.176 18.848 19.000 0.040 0.000 0.812 1180 A HN 0.387 nan 8.150 nan 0.000 0.446 1181 G N -1.444 107.408 108.800 0.085 0.000 2.145 1181 G HA2 -0.132 3.815 3.960 -0.020 0.000 0.145 1181 G HA3 -0.132 3.815 3.960 -0.020 0.000 0.145 1181 G C 0.270 175.196 174.900 0.042 0.000 1.017 1181 G CA 0.455 45.591 45.100 0.060 0.000 0.682 1181 G HN 0.470 nan 8.290 nan 0.000 0.504 1182 E N -0.795 119.441 120.200 0.061 0.000 2.415 1182 E HA 0.308 4.646 4.350 -0.020 0.000 0.197 1182 E C 0.577 177.208 176.600 0.053 0.000 1.007 1182 E CA 0.799 57.223 56.400 0.040 0.000 0.890 1182 E CB 0.449 30.168 29.700 0.031 0.000 0.891 1182 E HN 0.696 nan 8.360 nan 0.000 0.496 1183 I N -1.758 118.873 120.570 0.101 0.000 2.769 1183 I HA 0.230 4.388 4.170 -0.020 0.000 0.298 1183 I C 0.065 176.328 176.117 0.245 0.000 1.128 1183 I CA -0.575 60.793 61.300 0.114 0.000 1.031 1183 I CB 1.904 39.950 38.000 0.077 0.000 1.235 1183 I HN -0.302 nan 8.210 nan 0.000 0.423 1184 Q N 1.536 121.459 119.800 0.205 0.000 2.211 1184 Q HA 0.404 4.732 4.340 -0.020 0.000 0.242 1184 Q C -0.395 175.749 176.000 0.240 0.000 0.825 1184 Q CA 0.150 56.158 55.803 0.341 0.000 0.951 1184 Q CB 1.566 30.362 28.738 0.097 0.000 1.130 1184 Q HN 0.741 nan 8.270 nan 0.000 0.496 1185 E N -0.220 120.059 120.200 0.131 0.000 2.449 1185 E HA 0.541 4.878 4.350 -0.020 0.000 0.278 1185 E C -1.486 175.145 176.600 0.050 0.000 0.992 1185 E CA -0.786 55.665 56.400 0.085 0.000 0.807 1185 E CB 2.980 32.730 29.700 0.082 0.000 1.350 1185 E HN -0.205 nan 8.360 nan 0.000 0.462 1186 V N 1.324 121.258 119.914 0.034 0.000 2.733 1186 V HA 0.342 4.450 4.120 -0.020 0.000 0.306 1186 V C -2.652 173.445 176.094 0.006 0.000 1.084 1186 V CA -1.897 60.404 62.300 0.001 0.000 0.905 1186 V CB 1.858 33.666 31.823 -0.026 0.000 1.010 1186 V HN 0.507 nan 8.190 nan 0.000 0.424 1187 P HA 0.393 nan 4.420 nan 0.000 0.281 1187 P C -1.072 176.127 177.300 -0.169 0.000 1.286 1187 P CA -0.008 62.983 63.100 -0.183 0.000 0.772 1187 P CB 1.250 32.645 31.700 -0.508 0.000 0.862 1188 V N 4.818 124.714 119.914 -0.030 0.000 2.777 1188 V HA 0.383 4.490 4.120 -0.020 0.000 0.306 1188 V C -0.596 175.524 176.094 0.043 0.000 1.112 1188 V CA -0.978 61.302 62.300 -0.033 0.000 0.917 1188 V CB 2.081 33.888 31.823 -0.027 0.000 1.018 1188 V HN 0.332 nan 8.190 nan 0.000 0.426 1189 R N 3.232 123.731 120.500 -0.000 0.000 2.570 1189 R HA 0.509 4.837 4.340 -0.020 0.000 0.277 1189 R C -0.140 176.173 176.300 0.021 0.000 1.039 1189 R CA 0.490 56.608 56.100 0.029 0.000 1.065 1189 R CB 1.166 31.455 30.300 -0.018 0.000 0.964 1189 R HN 0.843 nan 8.270 nan 0.000 0.428 1190 S N 2.347 118.067 115.700 0.033 0.000 2.550 1190 S HA 0.338 4.795 4.470 -0.020 0.000 0.270 1190 S C -2.279 172.328 174.600 0.012 0.000 1.145 1190 S CA -1.513 56.693 58.200 0.010 0.000 0.852 1190 S CB 1.941 65.148 63.200 0.012 0.000 1.119 1190 S HN 0.252 nan 8.310 nan 0.000 0.465 1191 P HA -0.023 nan 4.420 nan 0.000 0.218 1191 P C 1.379 178.690 177.300 0.018 0.000 1.146 1191 P CA 0.944 64.054 63.100 0.017 0.000 0.813 1191 P CB 0.040 31.743 31.700 0.005 0.000 0.778 1192 L N -1.242 119.988 121.223 0.013 0.000 2.191 1192 L HA -0.115 4.213 4.340 -0.020 0.000 0.212 1192 L C 1.525 178.404 176.870 0.015 0.000 1.103 1192 L CA 2.047 56.896 54.840 0.016 0.000 0.769 1192 L CB -1.138 40.928 42.059 0.011 0.000 0.908 1192 L HN 0.193 nan 8.230 nan 0.000 0.438 1193 T N -5.452 109.112 114.554 0.015 0.000 3.182 1193 T HA 0.138 4.476 4.350 -0.020 0.000 0.277 1193 T C 0.340 175.049 174.700 0.016 0.000 1.013 1193 T CA -0.522 61.586 62.100 0.014 0.000 0.900 1193 T CB -0.594 68.281 68.868 0.012 0.000 1.098 1193 T HN 0.098 nan 8.240 nan 0.000 0.543 1194 C N 2.700 122.009 119.300 0.015 0.000 2.656 1194 C HA 0.344 4.791 4.460 -0.020 0.000 0.391 1194 C C 2.187 177.174 174.990 -0.004 0.000 1.300 1194 C CA -0.024 59.001 59.018 0.013 0.000 2.302 1194 C CB 1.041 28.792 27.740 0.019 0.000 2.655 1194 C HN 0.841 nan 8.230 nan 0.000 0.656 1195 Q N 1.642 121.437 119.800 -0.007 0.000 2.134 1195 Q HA 0.017 4.344 4.340 -0.020 0.000 0.195 1195 Q C 0.673 176.643 176.000 -0.051 0.000 0.958 1195 Q CA 0.862 56.651 55.803 -0.024 0.000 0.840 1195 Q CB -0.758 27.971 28.738 -0.015 0.000 0.918 1195 Q HN 0.720 nan 8.270 nan 0.000 0.467 1196 T N 3.666 118.195 114.554 -0.040 0.000 2.640 1196 T HA -0.067 4.271 4.350 -0.020 0.000 0.252 1196 T C 0.776 175.419 174.700 -0.095 0.000 1.038 1196 T CA 0.524 62.590 62.100 -0.057 0.000 1.307 1196 T CB 0.092 68.949 68.868 -0.018 0.000 1.014 1196 T HN 0.426 nan 8.240 nan 0.000 0.523 1197 R N 3.441 123.824 120.500 -0.194 0.000 2.196 1197 R HA -0.188 4.140 4.340 -0.020 0.000 0.227 1197 R C 0.193 176.358 176.300 -0.224 0.000 1.108 1197 R CA 1.509 57.427 56.100 -0.303 0.000 0.884 1197 R CB -0.794 29.168 30.300 -0.563 0.000 0.839 1197 R HN 0.609 nan 8.270 nan 0.000 0.431 1198 Y N 1.404 121.676 120.300 -0.046 0.000 2.556 1198 Y HA 0.609 5.147 4.550 -0.021 0.000 0.352 1198 Y C 0.789 176.672 175.900 -0.027 0.000 1.006 1198 Y CA -0.110 57.964 58.100 -0.044 0.000 1.277 1198 Y CB 0.805 39.239 38.460 -0.044 0.000 1.136 1198 Y HN 0.707 nan 8.280 nan 0.000 0.523 1199 G N 0.541 109.401 108.800 0.100 0.000 2.347 1199 G HA2 0.263 4.211 3.960 -0.020 0.000 0.477 1199 G HA3 0.263 4.211 3.960 -0.020 0.000 0.477 1199 G C -2.113 172.815 174.900 0.047 0.000 1.349 1199 G CA -1.006 44.135 45.100 0.069 0.000 1.000 1199 G HN 0.497 nan 8.290 nan 0.000 0.605 1200 V N -0.414 119.531 119.914 0.051 0.000 2.971 1200 V HA 0.680 4.788 4.120 -0.020 0.000 0.309 1200 V C 0.853 176.979 176.094 0.053 0.000 1.130 1200 V CA -0.161 62.179 62.300 0.066 0.000 0.964 1200 V CB 1.634 33.529 31.823 0.120 0.000 1.029 1200 V HN 1.847 nan 8.190 nan 0.000 0.427 1201 C N 2.048 121.382 119.300 0.057 0.000 2.354 1201 C HA 0.522 4.970 4.460 -0.020 0.000 0.381 1201 C C 1.510 176.546 174.990 0.077 0.000 1.240 1201 C CA -0.395 58.646 59.018 0.040 0.000 2.089 1201 C CB 1.093 28.848 27.740 0.025 0.000 2.234 1201 C HN 0.977 nan 8.230 nan 0.000 0.544 1202 Q N 0.425 120.261 119.800 0.060 0.000 2.002 1202 Q HA -0.156 4.171 4.340 -0.020 0.000 0.204 1202 Q C 2.189 178.306 176.000 0.195 0.000 0.988 1202 Q CA 1.897 57.773 55.803 0.123 0.000 0.843 1202 Q CB -0.084 28.718 28.738 0.106 0.000 0.908 1202 Q HN 0.673 nan 8.270 nan 0.000 0.420 1203 K N -0.130 120.333 120.400 0.105 0.000 2.097 1203 K HA -0.125 4.183 4.320 -0.020 0.000 0.206 1203 K C 2.087 178.694 176.600 0.011 0.000 1.049 1203 K CA 0.988 57.273 56.287 -0.002 0.000 0.933 1203 K CB -0.402 32.066 32.500 -0.053 0.000 0.717 1203 K HN 0.314 nan 8.250 nan 0.000 0.442 1204 C N -0.093 119.242 119.300 0.059 0.000 2.467 1204 C HA -0.045 4.403 4.460 -0.020 0.000 0.279 1204 C C 2.536 177.581 174.990 0.092 0.000 1.347 1204 C CA -0.181 58.870 59.018 0.055 0.000 1.748 1204 C CB -0.793 26.980 27.740 0.055 0.000 1.977 1204 C HN 0.429 nan 8.230 nan 0.000 0.501 1205 Y N 1.321 121.638 120.300 0.028 0.000 2.109 1205 Y HA 0.340 4.878 4.550 -0.021 0.000 0.281 1205 Y C 1.694 177.622 175.900 0.047 0.000 1.113 1205 Y CA 2.383 60.495 58.100 0.019 0.000 1.098 1205 Y CB -0.293 38.180 38.460 0.021 0.000 0.996 1205 Y HN 0.365 nan 8.280 nan 0.000 0.485 1206 G N -2.159 106.919 108.800 0.463 0.000 2.174 1206 G HA2 -0.206 3.742 3.960 -0.020 0.000 0.070 1206 G HA3 -0.206 3.742 3.960 -0.020 0.000 0.070 1206 G C -0.060 175.203 174.900 0.606 0.000 1.120 1206 G CA 0.005 45.369 45.100 0.440 0.000 1.194 1206 G HN 0.310 nan 8.290 nan 0.000 0.435 1207 Y N 0.642 121.123 120.300 0.302 0.000 2.344 1207 Y HA 0.327 4.864 4.550 -0.021 0.000 0.261 1207 Y C 1.268 177.284 175.900 0.193 0.000 1.080 1207 Y CA 0.548 58.753 58.100 0.175 0.000 1.151 1207 Y CB 0.244 38.794 38.460 0.151 0.000 1.059 1207 Y HN 0.365 nan 8.280 nan 0.000 0.490 1208 D N 2.299 123.008 120.400 0.515 0.000 3.030 1208 D HA -0.085 4.543 4.640 -0.020 0.000 0.281 1208 D C -0.402 176.046 176.300 0.246 0.000 1.522 1208 D CA 0.432 54.655 54.000 0.372 0.000 1.219 1208 D CB -0.524 40.486 40.800 0.350 0.000 1.176 1208 D HN 0.090 nan 8.370 nan 0.000 0.603 1209 L N 2.117 123.407 121.223 0.113 0.000 2.642 1209 L HA 0.245 4.572 4.340 -0.020 0.000 0.229 1209 L C 1.708 178.608 176.870 0.049 0.000 1.179 1209 L CA -0.027 54.834 54.840 0.035 0.000 0.834 1209 L CB 0.602 42.653 42.059 -0.015 0.000 1.515 1209 L HN 0.138 nan 8.230 nan 0.000 0.512 1210 S N -0.350 115.364 115.700 0.024 0.000 2.465 1210 S HA -0.003 4.455 4.470 -0.020 0.000 0.241 1210 S C 0.672 175.268 174.600 -0.006 0.000 1.000 1210 S CA 0.888 59.091 58.200 0.006 0.000 0.964 1210 S CB -0.551 62.647 63.200 -0.003 0.000 0.763 1210 S HN 0.381 nan 8.310 nan 0.000 0.512 1211 M N 0.084 119.714 119.600 0.050 0.000 2.255 1211 M HA 0.325 4.793 4.480 -0.020 0.000 0.336 1211 M C 0.916 177.249 176.300 0.055 0.000 1.135 1211 M CA -0.260 55.116 55.300 0.128 0.000 1.145 1211 M CB 0.610 33.277 32.600 0.112 0.000 1.473 1211 M HN 0.019 nan 8.290 nan 0.000 0.462 1212 A N 2.026 124.906 122.820 0.100 0.000 2.370 1212 A HA 0.184 4.492 4.320 -0.020 0.000 0.238 1212 A C 0.592 177.810 177.584 -0.609 0.000 1.289 1212 A CA -0.114 51.881 52.037 -0.070 0.000 0.885 1212 A CB -0.270 18.766 19.000 0.061 0.000 0.961 1212 A HN 0.848 nan 8.150 nan 0.000 0.499 1213 R N -0.078 120.181 120.500 -0.401 0.000 2.527 1213 R HA 0.422 4.750 4.340 -0.020 0.000 0.243 1213 R C -2.682 173.330 176.300 -0.480 0.000 1.206 1213 R CA -2.162 53.629 56.100 -0.514 0.000 1.134 1213 R CB -0.401 29.745 30.300 -0.258 0.000 1.347 1213 R HN -0.014 nan 8.270 nan 0.000 0.580 1214 P HA -0.039 nan 4.420 nan 0.000 0.270 1214 P C -0.505 176.711 177.300 -0.140 0.000 1.223 1214 P CA -0.073 62.791 63.100 -0.393 0.000 0.785 1214 P CB 0.428 31.700 31.700 -0.714 0.000 0.923 1215 V N 2.426 122.339 119.914 -0.001 0.000 2.673 1215 V HA -0.014 4.094 4.120 -0.020 0.000 0.303 1215 V C 0.507 176.551 176.094 -0.084 0.000 1.046 1215 V CA 0.769 63.035 62.300 -0.056 0.000 1.126 1215 V CB 0.253 32.002 31.823 -0.124 0.000 0.934 1215 V HN 0.534 nan 8.190 nan 0.000 0.487 1216 S N 5.955 121.597 115.700 -0.098 0.000 2.513 1216 S HA 0.490 4.948 4.470 -0.020 0.000 0.276 1216 S C -0.002 174.543 174.600 -0.092 0.000 1.254 1216 S CA -0.488 57.665 58.200 -0.078 0.000 1.053 1216 S CB 0.604 63.773 63.200 -0.052 0.000 0.958 1216 S HN 0.498 nan 8.310 nan 0.000 0.491 1217 I N 2.559 123.065 120.570 -0.106 0.000 2.821 1217 I HA 0.177 4.334 4.170 -0.020 0.000 0.294 1217 I C 1.419 177.499 176.117 -0.061 0.000 1.210 1217 I CA 0.687 61.905 61.300 -0.137 0.000 1.430 1217 I CB -0.385 37.430 38.000 -0.310 0.000 1.356 1217 I HN 0.996 nan 8.210 nan 0.000 0.563 1218 G N 3.990 112.757 108.800 -0.055 0.000 2.168 1218 G HA2 -0.224 3.723 3.960 -0.020 0.000 0.197 1218 G HA3 -0.224 3.723 3.960 -0.020 0.000 0.197 1218 G C 0.046 174.926 174.900 -0.034 0.000 0.997 1218 G CA -0.145 44.946 45.100 -0.014 0.000 0.658 1218 G HN 0.724 nan 8.290 nan 0.000 0.513 1219 E N 0.742 120.896 120.200 -0.076 0.000 2.313 1219 E HA 0.612 4.949 4.350 -0.020 0.000 0.276 1219 E C 0.939 177.494 176.600 -0.075 0.000 1.031 1219 E CA -0.053 56.295 56.400 -0.087 0.000 0.857 1219 E CB 0.797 30.409 29.700 -0.148 0.000 1.040 1219 E HN 0.681 nan 8.360 nan 0.000 0.408 1220 A N 5.177 127.975 122.820 -0.036 0.000 3.030 1220 A HA 0.087 4.394 4.320 -0.020 0.000 0.273 1220 A C 1.118 178.709 177.584 0.011 0.000 1.841 1220 A CA -0.230 51.805 52.037 -0.004 0.000 1.479 1220 A CB -0.506 18.502 19.000 0.013 0.000 1.048 1220 A HN 0.610 nan 8.150 nan 0.000 0.612 1221 V N 2.152 122.059 119.914 -0.011 0.000 2.287 1221 V HA -0.283 3.824 4.120 -0.020 0.000 0.248 1221 V C 2.900 179.078 176.094 0.139 0.000 1.053 1221 V CA 2.523 64.856 62.300 0.054 0.000 1.027 1221 V CB -1.240 30.605 31.823 0.037 0.000 0.646 1221 V HN 0.811 nan 8.190 nan 0.000 0.447 1222 G N 0.525 109.389 108.800 0.106 0.000 2.649 1222 G HA2 -0.341 3.606 3.960 -0.020 0.000 0.220 1222 G HA3 -0.341 3.606 3.960 -0.020 0.000 0.220 1222 G C 1.386 176.356 174.900 0.115 0.000 1.189 1222 G CA 1.902 47.067 45.100 0.108 0.000 0.777 1222 G HN 0.516 nan 8.290 nan 0.000 0.602 1223 I N 0.459 121.089 120.570 0.101 0.000 2.233 1223 I HA -0.069 4.089 4.170 -0.020 0.000 0.243 1223 I C 2.858 179.029 176.117 0.091 0.000 1.093 1223 I CA 0.445 61.798 61.300 0.089 0.000 1.380 1223 I CB -1.001 37.042 38.000 0.072 0.000 1.067 1223 I HN 0.052 nan 8.210 nan 0.000 0.413 1224 V N 1.354 121.329 119.914 0.101 0.000 2.363 1224 V HA -0.385 3.723 4.120 -0.020 0.000 0.254 1224 V C 2.713 178.891 176.094 0.139 0.000 1.074 1224 V CA 2.188 64.556 62.300 0.114 0.000 1.069 1224 V CB -1.478 30.434 31.823 0.148 0.000 0.659 1224 V HN 0.554 nan 8.190 nan 0.000 0.455 1225 A N -0.095 122.869 122.820 0.241 0.000 1.832 1225 A HA -0.041 4.267 4.320 -0.020 0.000 0.214 1225 A C 2.498 180.142 177.584 0.101 0.000 1.200 1225 A CA 2.008 54.229 52.037 0.307 0.000 0.610 1225 A CB -1.119 18.090 19.000 0.348 0.000 0.842 1225 A HN 0.621 nan 8.150 nan 0.000 0.444 1226 A N -0.521 122.349 122.820 0.084 0.000 1.971 1226 A HA -0.322 3.985 4.320 -0.020 0.000 0.222 1226 A C 2.125 179.717 177.584 0.013 0.000 1.182 1226 A CA 2.140 54.191 52.037 0.024 0.000 0.649 1226 A CB -0.723 18.293 19.000 0.026 0.000 0.818 1226 A HN 0.728 nan 8.150 nan 0.000 0.458 1227 Q N -0.407 119.408 119.800 0.025 0.000 2.020 1227 Q HA -0.101 4.227 4.340 -0.020 0.000 0.198 1227 Q C 2.386 178.391 176.000 0.009 0.000 0.974 1227 Q CA 1.643 57.463 55.803 0.028 0.000 0.829 1227 Q CB -0.319 28.450 28.738 0.052 0.000 0.894 1227 Q HN 0.738 nan 8.270 nan 0.000 0.433 1228 S N 1.149 116.806 115.700 -0.072 0.000 2.440 1228 S HA -0.128 4.330 4.470 -0.020 0.000 0.240 1228 S C 1.822 176.418 174.600 -0.007 0.000 1.014 1228 S CA 1.089 59.208 58.200 -0.135 0.000 0.980 1228 S CB -0.289 62.633 63.200 -0.464 0.000 0.775 1228 S HN 0.309 nan 8.310 nan 0.000 0.499 1229 I N 0.905 121.505 120.570 0.051 0.000 3.645 1229 I HA 0.149 4.307 4.170 -0.020 0.000 0.300 1229 I C 2.407 178.627 176.117 0.172 0.000 1.260 1229 I CA 0.499 61.923 61.300 0.206 0.000 1.365 1229 I CB -0.357 37.745 38.000 0.170 0.000 1.077 1229 I HN 0.362 nan 8.210 nan 0.000 0.439 1230 G N 0.688 109.529 108.800 0.070 0.000 2.492 1230 G HA2 -0.151 3.797 3.960 -0.020 0.000 0.214 1230 G HA3 -0.151 3.797 3.960 -0.020 0.000 0.214 1230 G C 1.444 176.360 174.900 0.027 0.000 1.147 1230 G CA 0.243 45.370 45.100 0.046 0.000 0.809 1230 G HN 0.403 nan 8.290 nan 0.000 0.533 1231 E N 1.254 121.473 120.200 0.031 0.000 2.001 1231 E HA -0.092 4.246 4.350 -0.020 0.000 0.195 1231 E C -0.184 176.392 176.600 -0.040 0.000 1.002 1231 E CA 1.064 57.475 56.400 0.018 0.000 0.819 1231 E CB -0.573 29.178 29.700 0.084 0.000 0.769 1231 E HN 0.235 nan 8.360 nan 0.000 0.454 1232 P HA -0.161 nan 4.420 nan 0.000 0.218 1232 P C 1.288 178.413 177.300 -0.292 0.000 1.150 1232 P CA 2.050 65.022 63.100 -0.213 0.000 0.841 1232 P CB -0.472 31.045 31.700 -0.305 0.000 0.784 1233 G N -0.920 107.742 108.800 -0.231 0.000 2.517 1233 G HA2 -0.296 3.652 3.960 -0.020 0.000 0.222 1233 G HA3 -0.296 3.652 3.960 -0.020 0.000 0.222 1233 G C 1.291 176.107 174.900 -0.139 0.000 1.109 1233 G CA 1.625 46.620 45.100 -0.175 0.000 0.746 1233 G HN 0.242 nan 8.290 nan 0.000 0.576 1234 T N 0.148 114.638 114.554 -0.107 0.000 2.962 1234 T HA -0.060 4.278 4.350 -0.020 0.000 0.270 1234 T C 2.252 176.892 174.700 -0.099 0.000 1.088 1234 T CA 1.343 63.393 62.100 -0.084 0.000 1.127 1234 T CB -0.067 68.767 68.868 -0.055 0.000 0.883 1234 T HN 0.411 nan 8.240 nan 0.000 0.493 1235 Q N 0.112 119.834 119.800 -0.131 0.000 2.269 1235 Q HA 0.206 4.533 4.340 -0.020 0.000 0.201 1235 Q C 0.260 176.183 176.000 -0.127 0.000 0.946 1235 Q CA 0.237 55.966 55.803 -0.123 0.000 0.877 1235 Q CB -0.149 28.506 28.738 -0.138 0.000 0.963 1235 Q HN 0.526 nan 8.270 nan 0.000 0.472 1236 L N 1.316 122.445 121.223 -0.156 0.000 2.426 1236 L HA 0.146 4.474 4.340 -0.020 0.000 0.271 1236 L C 0.311 177.116 176.870 -0.108 0.000 1.169 1236 L CA -0.463 54.300 54.840 -0.128 0.000 0.836 1236 L CB 0.296 42.278 42.059 -0.128 0.000 1.112 1236 L HN -0.081 nan 8.230 nan 0.000 0.465 1237 T N 3.446 117.947 114.554 -0.089 0.000 2.940 1237 T HA 0.238 4.575 4.350 -0.020 0.000 0.309 1237 T C -0.040 174.590 174.700 -0.117 0.000 1.056 1237 T CA 0.166 62.215 62.100 -0.086 0.000 1.137 1237 T CB 0.510 69.341 68.868 -0.062 0.000 0.976 1237 T HN 0.534 nan 8.240 nan 0.000 0.547 1238 M N 3.282 122.805 119.600 -0.129 0.000 2.031 1238 M HA 0.330 4.798 4.480 -0.020 0.000 0.273 1238 M C 0.536 176.754 176.300 -0.136 0.000 0.904 1238 M CA -0.632 54.555 55.300 -0.188 0.000 0.963 1238 M CB 0.793 33.221 32.600 -0.286 0.000 1.707 1238 M HN 0.530 nan 8.290 nan 0.000 0.427 1239 R N 0.775 121.213 120.500 -0.103 0.000 2.048 1239 R HA 0.325 4.653 4.340 -0.020 0.000 0.221 1239 R C -0.150 176.135 176.300 -0.024 0.000 1.174 1239 R CA 0.700 56.771 56.100 -0.049 0.000 0.971 1239 R CB 0.254 30.538 30.300 -0.027 0.000 0.863 1239 R HN 0.484 nan 8.270 nan 0.000 0.439 1240 T N 0.350 114.893 114.554 -0.018 0.000 3.032 1240 T HA 0.275 4.613 4.350 -0.020 0.000 0.312 1240 T C -0.049 174.691 174.700 0.067 0.000 1.078 1240 T CA -0.654 61.490 62.100 0.074 0.000 1.028 1240 T CB 1.603 70.530 68.868 0.099 0.000 1.091 1240 T HN -0.097 nan 8.240 nan 0.000 0.457 1241 F N 1.105 121.029 119.950 -0.044 0.000 2.005 1241 F HA -0.129 4.386 4.527 -0.020 0.000 0.297 1241 F C 1.992 177.762 175.800 -0.049 0.000 1.175 1241 F CA 1.346 59.289 58.000 -0.094 0.000 1.192 1241 F CB -0.389 38.522 39.000 -0.148 0.000 0.953 1241 F HN 0.591 nan 8.300 nan 0.000 0.504 1242 H N 1.806 121.016 119.070 0.233 0.000 3.460 1242 H HA 0.119 4.663 4.556 -0.020 0.000 0.238 1242 H C 0.205 175.582 175.328 0.082 0.000 1.752 1242 H CA -0.223 55.898 56.048 0.121 0.000 1.503 1242 H CB -1.323 28.495 29.762 0.093 0.000 1.830 1242 H HN 0.145 nan 8.280 nan 0.000 0.614 1243 T N 0.221 114.882 114.554 0.179 0.000 2.752 1243 T HA 0.147 4.485 4.350 -0.020 0.000 0.356 1243 T C 1.167 175.912 174.700 0.076 0.000 1.067 1243 T CA 0.672 62.827 62.100 0.092 0.000 1.124 1243 T CB 0.304 69.204 68.868 0.054 0.000 1.058 1243 T HN 0.873 nan 8.240 nan 0.000 0.532 1244 G N -0.462 108.366 108.800 0.046 0.000 2.804 1244 G HA2 0.318 4.266 3.960 -0.020 0.000 0.230 1244 G HA3 0.318 4.266 3.960 -0.020 0.000 0.230 1244 G C -0.101 174.821 174.900 0.037 0.000 1.386 1244 G CA -0.284 44.836 45.100 0.033 0.000 0.875 1244 G HN 1.553 nan 8.290 nan 0.000 0.557 1245 G N -2.097 106.718 108.800 0.025 0.000 2.682 1245 G HA2 0.701 4.649 3.960 -0.020 0.000 0.300 1245 G HA3 0.701 4.649 3.960 -0.020 0.000 0.300 1245 G C -0.402 174.507 174.900 0.015 0.000 1.391 1245 G CA 0.138 45.252 45.100 0.023 0.000 0.990 1245 G HN 1.541 nan 8.290 nan 0.000 0.501 1246 V N 0.975 120.897 119.914 0.013 0.000 2.441 1246 V HA 0.383 4.490 4.120 -0.020 0.000 0.279 1246 V C 0.707 176.804 176.094 0.005 0.000 0.990 1246 V CA 1.179 63.483 62.300 0.007 0.000 1.116 1246 V CB -0.192 31.634 31.823 0.005 0.000 0.977 1246 V HN 1.387 nan 8.190 nan 0.000 0.470 1247 A N 4.392 127.215 122.820 0.004 0.000 2.534 1247 A HA 0.650 4.957 4.320 -0.020 0.000 0.300 1247 A C 0.564 178.150 177.584 0.003 0.000 1.054 1247 A CA 0.102 52.140 52.037 0.002 0.000 0.858 1247 A CB 0.594 19.595 19.000 0.001 0.000 1.333 1247 A HN 1.767 nan 8.150 nan 0.000 0.391 1248 G N 1.672 110.473 108.800 0.002 0.000 2.699 1248 G HA2 0.143 4.090 3.960 -0.020 0.000 0.351 1248 G HA3 0.143 4.090 3.960 -0.020 0.000 0.351 1248 G C 0.896 175.799 174.900 0.005 0.000 1.191 1248 G CA 1.648 46.750 45.100 0.004 0.000 0.953 1248 G HN 2.647 nan 8.290 nan 0.000 0.557 1249 A N -0.497 122.327 122.820 0.006 0.000 3.082 1249 A HA 0.844 5.151 4.320 -0.020 0.000 0.328 1249 A C 0.092 177.680 177.584 0.008 0.000 1.089 1249 A CA 1.126 53.166 52.037 0.006 0.000 0.802 1249 A CB 0.590 19.594 19.000 0.007 0.000 1.138 1249 A HN 2.249 nan 8.150 nan 0.000 0.474 1250 A N 0.839 123.664 122.820 0.007 0.000 2.343 1250 A HA 0.487 4.795 4.320 -0.020 0.000 0.305 1250 A C 0.455 178.044 177.584 0.008 0.000 1.308 1250 A CA -0.187 51.855 52.037 0.009 0.000 0.949 1250 A CB 0.101 19.107 19.000 0.010 0.000 1.148 1250 A HN 0.678 nan 8.150 nan 0.000 0.545 1251 D N 1.921 122.326 120.400 0.008 0.000 2.290 1251 D HA 0.095 4.722 4.640 -0.020 0.000 0.224 1251 D C 0.919 177.226 176.300 0.011 0.000 0.967 1251 D CA 1.162 55.167 54.000 0.008 0.000 0.893 1251 D CB 0.289 41.092 40.800 0.007 0.000 1.037 1251 D HN 0.731 nan 8.370 nan 0.000 0.477 1252 I N -0.741 119.836 120.570 0.011 0.000 3.775 1252 I HA 0.310 4.467 4.170 -0.020 0.000 0.272 1252 I C 0.057 176.185 176.117 0.018 0.000 1.292 1252 I CA -0.732 60.577 61.300 0.015 0.000 1.050 1252 I CB 1.492 39.498 38.000 0.010 0.000 1.422 1252 I HN -0.220 nan 8.210 nan 0.000 0.561 1253 T N -0.920 113.645 114.554 0.018 0.000 2.937 1253 T HA 0.461 4.798 4.350 -0.020 0.000 0.297 1253 T C -0.854 173.848 174.700 0.003 0.000 0.991 1253 T CA -0.709 61.403 62.100 0.019 0.000 0.990 1253 T CB 1.744 70.638 68.868 0.042 0.000 0.991 1253 T HN 0.693 nan 8.240 nan 0.000 0.440 1254 Q N 1.526 121.322 119.800 -0.006 0.000 2.378 1254 Q HA 0.656 4.983 4.340 -0.020 0.000 0.276 1254 Q C 0.631 176.614 176.000 -0.027 0.000 1.083 1254 Q CA 0.098 55.892 55.803 -0.014 0.000 0.856 1254 Q CB 1.686 30.415 28.738 -0.014 0.000 1.383 1254 Q HN 1.399 nan 8.270 nan 0.000 0.458 1255 G N 0.789 109.576 108.800 -0.023 0.000 2.698 1255 G HA2 -0.309 3.639 3.960 -0.020 0.000 0.233 1255 G HA3 -0.309 3.639 3.960 -0.020 0.000 0.233 1255 G C 0.306 175.183 174.900 -0.038 0.000 1.352 1255 G CA -0.013 45.065 45.100 -0.037 0.000 0.879 1255 G HN 0.624 nan 8.290 nan 0.000 0.567 1256 L N 1.823 122.999 121.223 -0.078 0.000 2.021 1256 L HA -0.012 4.316 4.340 -0.020 0.000 0.215 1256 L C 0.585 177.370 176.870 -0.141 0.000 1.074 1256 L CA 3.600 58.382 54.840 -0.097 0.000 0.760 1256 L CB -1.383 40.563 42.059 -0.187 0.000 0.889 1256 L HN 0.500 nan 8.230 nan 0.000 0.433 1257 P HA -0.240 nan 4.420 nan 0.000 0.218 1257 P C 1.577 178.840 177.300 -0.063 0.000 1.152 1257 P CA 1.892 64.874 63.100 -0.197 0.000 0.857 1257 P CB -0.079 31.532 31.700 -0.149 0.000 0.787 1258 R N -0.258 120.223 120.500 -0.031 0.000 2.062 1258 R HA -0.072 4.256 4.340 -0.020 0.000 0.229 1258 R C 1.822 178.122 176.300 -0.001 0.000 1.128 1258 R CA 1.356 57.454 56.100 -0.003 0.000 0.960 1258 R CB -1.073 29.220 30.300 -0.011 0.000 0.855 1258 R HN -0.053 nan 8.270 nan 0.000 0.432 1259 V N 1.456 121.386 119.914 0.027 0.000 2.828 1259 V HA -0.234 3.874 4.120 -0.020 0.000 0.260 1259 V C 2.279 178.482 176.094 0.182 0.000 1.101 1259 V CA 1.139 63.486 62.300 0.077 0.000 1.123 1259 V CB -0.602 31.362 31.823 0.235 0.000 0.704 1259 V HN 0.365 nan 8.190 nan 0.000 0.493 1260 I N 0.049 120.686 120.570 0.112 0.000 2.277 1260 I HA -0.131 4.027 4.170 -0.020 0.000 0.243 1260 I C 2.519 178.705 176.117 0.116 0.000 1.094 1260 I CA 1.420 62.804 61.300 0.141 0.000 1.393 1260 I CB -0.725 37.310 38.000 0.060 0.000 1.078 1260 I HN 0.411 nan 8.210 nan 0.000 0.417 1261 E N 0.197 120.431 120.200 0.057 0.000 2.267 1261 E HA -0.229 4.109 4.350 -0.020 0.000 0.197 1261 E C 2.022 178.659 176.600 0.061 0.000 0.998 1261 E CA 0.884 57.333 56.400 0.081 0.000 0.830 1261 E CB 0.239 30.011 29.700 0.120 0.000 0.751 1261 E HN 0.238 nan 8.360 nan 0.000 0.491 1262 L N -1.227 119.991 121.223 -0.008 0.000 2.189 1262 L HA 0.041 4.369 4.340 -0.020 0.000 0.199 1262 L C 1.746 178.537 176.870 -0.131 0.000 1.074 1262 L CA 1.130 55.891 54.840 -0.132 0.000 0.783 1262 L CB -0.528 41.338 42.059 -0.321 0.000 0.955 1262 L HN 0.130 nan 8.230 nan 0.000 0.460 1263 F N 0.187 120.143 119.950 0.009 0.000 2.171 1263 F HA -0.112 4.402 4.527 -0.021 0.000 0.300 1263 F C 0.983 176.804 175.800 0.035 0.000 1.090 1263 F CA 0.743 58.754 58.000 0.019 0.000 1.293 1263 F CB 0.016 39.035 39.000 0.032 0.000 1.013 1263 F HN 0.030 nan 8.300 nan 0.000 0.486 1264 E N 0.754 121.092 120.200 0.230 0.000 2.014 1264 E HA 0.354 4.692 4.350 -0.020 0.000 0.275 1264 E C -0.153 176.524 176.600 0.127 0.000 0.997 1264 E CA -0.609 55.889 56.400 0.162 0.000 0.804 1264 E CB 0.995 30.786 29.700 0.151 0.000 1.090 1264 E HN 0.137 nan 8.360 nan 0.000 0.401 1265 A N 5.138 128.013 122.820 0.092 0.000 2.500 1265 A HA -0.145 4.163 4.320 -0.020 0.000 0.286 1265 A C 0.054 177.726 177.584 0.146 0.000 1.170 1265 A CA 0.974 53.025 52.037 0.024 0.000 0.951 1265 A CB -0.270 18.646 19.000 -0.141 0.000 0.965 1265 A HN 0.576 nan 8.150 nan 0.000 0.551 1266 R N 0.754 121.343 120.500 0.148 0.000 2.837 1266 R HA 0.398 4.726 4.340 -0.020 0.000 0.271 1266 R C 0.205 176.605 176.300 0.166 0.000 0.993 1266 R CA -1.093 55.141 56.100 0.223 0.000 0.931 1266 R CB 1.578 32.104 30.300 0.376 0.000 1.206 1266 R HN 0.768 nan 8.270 nan 0.000 0.474 1267 R N 2.891 123.456 120.500 0.108 0.000 2.498 1267 R HA 0.084 4.412 4.340 -0.020 0.000 0.334 1267 R C -2.179 174.095 176.300 -0.043 0.000 1.106 1267 R CA -0.914 55.192 56.100 0.010 0.000 0.995 1267 R CB -0.136 30.137 30.300 -0.044 0.000 0.989 1267 R HN 0.223 nan 8.270 nan 0.000 0.455 1268 P HA -0.025 nan 4.420 nan 0.000 0.269 1268 P C 0.052 177.331 177.300 -0.035 0.000 1.215 1268 P CA -0.168 62.940 63.100 0.013 0.000 0.780 1268 P CB 0.808 32.530 31.700 0.036 0.000 0.898 1269 K N 2.303 122.684 120.400 -0.032 0.000 2.001 1269 K HA -0.048 4.259 4.320 -0.020 0.000 0.208 1269 K C 0.634 177.220 176.600 -0.024 0.000 1.048 1269 K CA 1.151 57.414 56.287 -0.041 0.000 0.932 1269 K CB -0.382 32.103 32.500 -0.026 0.000 0.715 1269 K HN 0.532 nan 8.250 nan 0.000 0.437 1270 A N 2.649 125.464 122.820 -0.009 0.000 2.915 1270 A HA 0.100 4.407 4.320 -0.020 0.000 0.292 1270 A C -0.400 177.177 177.584 -0.010 0.000 1.632 1270 A CA -0.191 51.841 52.037 -0.008 0.000 1.337 1270 A CB -0.222 18.778 19.000 -0.000 0.000 1.111 1270 A HN 0.278 nan 8.150 nan 0.000 0.569 1271 K N 1.882 122.269 120.400 -0.023 0.000 2.185 1271 K HA 0.562 4.869 4.320 -0.020 0.000 0.271 1271 K C -0.208 176.363 176.600 -0.048 0.000 1.013 1271 K CA -0.176 56.091 56.287 -0.033 0.000 0.943 1271 K CB 0.822 33.297 32.500 -0.042 0.000 0.998 1271 K HN 0.538 nan 8.250 nan 0.000 0.468 1272 A N 3.905 126.686 122.820 -0.064 0.000 2.273 1272 A HA 0.295 4.603 4.320 -0.020 0.000 0.315 1272 A C -0.408 177.093 177.584 -0.138 0.000 1.256 1272 A CA -0.860 51.126 52.037 -0.084 0.000 0.851 1272 A CB 0.618 19.577 19.000 -0.069 0.000 1.172 1272 A HN 0.656 nan 8.150 nan 0.000 0.508 1273 V N 2.145 121.960 119.914 -0.166 0.000 2.493 1273 V HA 0.391 4.498 4.120 -0.020 0.000 0.292 1273 V C 0.058 175.954 176.094 -0.330 0.000 1.016 1273 V CA -0.265 61.870 62.300 -0.275 0.000 1.097 1273 V CB -1.185 30.444 31.823 -0.324 0.000 0.947 1273 V HN 0.598 nan 8.190 nan 0.000 0.479 1274 I N 3.808 124.167 120.570 -0.351 0.000 2.797 1274 I HA 0.610 4.768 4.170 -0.020 0.000 0.310 1274 I C 0.795 176.669 176.117 -0.404 0.000 0.990 1274 I CA -0.764 60.354 61.300 -0.304 0.000 1.228 1274 I CB 1.027 38.889 38.000 -0.231 0.000 1.406 1274 I HN 0.770 nan 8.210 nan 0.000 0.534 1275 S N 1.293 116.855 115.700 -0.229 0.000 2.409 1275 S HA 0.307 4.765 4.470 -0.020 0.000 0.308 1275 S C 0.473 175.047 174.600 -0.043 0.000 1.080 1275 S CA -0.628 57.512 58.200 -0.099 0.000 1.081 1275 S CB -0.011 63.163 63.200 -0.045 0.000 1.009 1275 S HN 0.690 nan 8.310 nan 0.000 0.502 1276 E N 2.584 122.814 120.200 0.048 0.000 2.265 1276 E HA -0.020 4.318 4.350 -0.020 0.000 0.196 1276 E C 0.156 176.759 176.600 0.005 0.000 0.996 1276 E CA 0.804 57.228 56.400 0.041 0.000 0.832 1276 E CB -0.146 29.621 29.700 0.112 0.000 0.756 1276 E HN 0.709 nan 8.360 nan 0.000 0.491 1277 I N 2.384 122.933 120.570 -0.035 0.000 2.493 1277 I HA 0.097 4.254 4.170 -0.020 0.000 0.298 1277 I C -0.481 175.519 176.117 -0.195 0.000 0.998 1277 I CA -1.025 60.174 61.300 -0.169 0.000 1.137 1277 I CB 1.512 39.286 38.000 -0.378 0.000 1.310 1277 I HN -0.072 nan 8.210 nan 0.000 0.445 1278 D N 5.072 125.345 120.400 -0.211 0.000 2.443 1278 D HA 0.508 5.136 4.640 -0.020 0.000 0.221 1278 D C -0.061 175.897 176.300 -0.570 0.000 1.097 1278 D CA -0.299 53.496 54.000 -0.341 0.000 0.865 1278 D CB 1.872 42.616 40.800 -0.093 0.000 1.034 1278 D HN 0.722 nan 8.370 nan 0.000 0.511 1279 G N 0.925 109.255 108.800 -0.782 0.000 2.894 1279 G HA2 0.490 4.438 3.960 -0.020 0.000 0.164 1279 G HA3 0.490 4.438 3.960 -0.020 0.000 0.164 1279 G C -1.065 173.516 174.900 -0.531 0.000 1.180 1279 G CA -0.381 44.349 45.100 -0.618 0.000 0.997 1279 G HN 0.357 nan 8.290 nan 0.000 0.572 1280 V N -0.180 119.607 119.914 -0.213 0.000 3.019 1280 V HA 0.747 4.855 4.120 -0.020 0.000 0.317 1280 V C -0.058 176.000 176.094 -0.060 0.000 1.094 1280 V CA -0.870 61.378 62.300 -0.086 0.000 1.000 1280 V CB 1.621 33.444 31.823 -0.001 0.000 1.060 1280 V HN 0.504 nan 8.190 nan 0.000 0.443 1281 V N 2.177 122.081 119.914 -0.016 0.000 2.617 1281 V HA 0.666 4.774 4.120 -0.020 0.000 0.298 1281 V C -0.006 176.104 176.094 0.027 0.000 1.048 1281 V CA -0.556 61.752 62.300 0.014 0.000 0.964 1281 V CB 1.548 33.382 31.823 0.019 0.000 1.004 1281 V HN 0.946 nan 8.190 nan 0.000 0.466 1282 R N 3.506 124.044 120.500 0.062 0.000 2.522 1282 R HA 0.689 5.016 4.340 -0.020 0.000 0.283 1282 R C -1.941 174.408 176.300 0.081 0.000 1.074 1282 R CA -0.475 55.646 56.100 0.034 0.000 0.925 1282 R CB 1.535 31.823 30.300 -0.021 0.000 1.205 1282 R HN 0.719 nan 8.270 nan 0.000 0.436 1283 I N 1.973 122.562 120.570 0.031 0.000 2.957 1283 I HA 0.490 4.648 4.170 -0.020 0.000 0.310 1283 I C -0.255 175.862 176.117 0.000 0.000 1.063 1283 I CA -0.910 60.426 61.300 0.059 0.000 1.033 1283 I CB 2.442 40.472 38.000 0.049 0.000 1.230 1283 I HN 0.579 nan 8.210 nan 0.000 0.447 1284 E N 1.353 121.569 120.200 0.028 0.000 2.416 1284 E HA 0.235 4.573 4.350 -0.020 0.000 0.273 1284 E C -0.383 176.226 176.600 0.014 0.000 0.935 1284 E CA -0.560 55.837 56.400 -0.005 0.000 0.784 1284 E CB 2.718 32.407 29.700 -0.019 0.000 1.301 1284 E HN 0.603 nan 8.360 nan 0.000 0.454 1285 E N 0.564 120.764 120.200 0.001 0.000 2.431 1285 E HA 0.059 4.396 4.350 -0.020 0.000 0.200 1285 E C -0.215 176.390 176.600 0.008 0.000 0.995 1285 E CA 0.219 56.621 56.400 0.005 0.000 0.915 1285 E CB 0.565 30.262 29.700 -0.004 0.000 0.930 1285 E HN 0.412 nan 8.360 nan 0.000 0.496 1286 T N 1.929 116.488 114.554 0.009 0.000 2.923 1286 T HA -0.108 4.230 4.350 -0.020 0.000 0.320 1286 T C 0.855 175.563 174.700 0.014 0.000 1.074 1286 T CA 0.483 62.590 62.100 0.011 0.000 1.131 1286 T CB 0.763 69.640 68.868 0.014 0.000 1.058 1286 T HN 0.218 nan 8.240 nan 0.000 0.535 1287 E N 1.726 121.932 120.200 0.011 0.000 2.045 1287 E HA -0.226 4.111 4.350 -0.020 0.000 0.212 1287 E C 2.155 178.763 176.600 0.013 0.000 1.039 1287 E CA 1.785 58.191 56.400 0.010 0.000 0.860 1287 E CB -0.009 29.695 29.700 0.008 0.000 0.776 1287 E HN 0.687 nan 8.360 nan 0.000 0.467 1288 E N 0.539 120.747 120.200 0.014 0.000 1.999 1288 E HA -0.075 4.263 4.350 -0.020 0.000 0.194 1288 E C 0.131 176.742 176.600 0.019 0.000 0.995 1288 E CA 0.953 57.362 56.400 0.015 0.000 0.825 1288 E CB 0.182 29.891 29.700 0.014 0.000 0.777 1288 E HN 0.047 nan 8.360 nan 0.000 0.459 1289 K N 0.722 121.137 120.400 0.025 0.000 2.207 1289 K HA 0.360 4.668 4.320 -0.020 0.000 0.255 1289 K C -0.318 176.308 176.600 0.044 0.000 0.941 1289 K CA -0.483 55.823 56.287 0.031 0.000 0.825 1289 K CB 2.223 34.741 32.500 0.031 0.000 1.119 1289 K HN 0.039 nan 8.250 nan 0.000 0.430 1290 L N 1.073 122.324 121.223 0.045 0.000 2.505 1290 L HA 0.311 4.639 4.340 -0.020 0.000 0.226 1290 L C -0.358 176.568 176.870 0.093 0.000 1.211 1290 L CA 0.120 54.997 54.840 0.062 0.000 0.828 1290 L CB 1.097 43.185 42.059 0.050 0.000 1.331 1290 L HN 0.921 nan 8.230 nan 0.000 0.513 1291 S N -0.016 115.765 115.700 0.136 0.000 2.590 1291 S HA 0.410 4.868 4.470 -0.020 0.000 0.286 1291 S C -1.219 173.552 174.600 0.284 0.000 1.147 1291 S CA -0.942 57.382 58.200 0.207 0.000 0.963 1291 S CB 0.948 64.392 63.200 0.408 0.000 1.124 1291 S HN 0.203 nan 8.310 nan 0.000 0.458 1292 V N 3.529 123.540 119.914 0.160 0.000 2.398 1292 V HA 0.628 4.735 4.120 -0.020 0.000 0.286 1292 V C -1.181 174.968 176.094 0.091 0.000 1.026 1292 V CA -0.429 61.986 62.300 0.193 0.000 0.868 1292 V CB 0.768 32.664 31.823 0.121 0.000 0.982 1292 V HN 0.832 nan 8.190 nan 0.000 0.443 1293 F N 3.521 123.442 119.950 -0.048 0.000 2.449 1293 F HA 0.584 5.099 4.527 -0.021 0.000 0.342 1293 F C 0.082 175.810 175.800 -0.120 0.000 1.127 1293 F CA -0.855 57.074 58.000 -0.117 0.000 0.975 1293 F CB 1.919 40.856 39.000 -0.106 0.000 1.146 1293 F HN 0.167 nan 8.300 nan 0.000 0.444 1294 V N 4.177 124.051 119.914 -0.067 0.000 2.394 1294 V HA 0.503 4.611 4.120 -0.020 0.000 0.282 1294 V C -0.425 175.566 176.094 -0.171 0.000 1.031 1294 V CA -0.611 61.618 62.300 -0.118 0.000 0.881 1294 V CB 1.306 33.040 31.823 -0.148 0.000 0.982 1294 V HN 0.798 nan 8.190 nan 0.000 0.451 1295 E N 2.979 123.088 120.200 -0.150 0.000 2.372 1295 E HA 0.654 4.992 4.350 -0.020 0.000 0.279 1295 E C -1.102 175.423 176.600 -0.126 0.000 0.946 1295 E CA -0.687 55.623 56.400 -0.150 0.000 0.769 1295 E CB 2.260 31.928 29.700 -0.053 0.000 1.230 1295 E HN 0.438 nan 8.360 nan 0.000 0.442 1296 S N 0.209 115.840 115.700 -0.115 0.000 2.715 1296 S HA 0.151 4.609 4.470 -0.020 0.000 0.307 1296 S C 0.716 175.340 174.600 0.040 0.000 1.119 1296 S CA -0.426 57.758 58.200 -0.027 0.000 0.937 1296 S CB 1.730 64.919 63.200 -0.017 0.000 1.150 1296 S HN 0.737 nan 8.310 nan 0.000 0.521 1297 E N 0.445 120.682 120.200 0.063 0.000 2.331 1297 E HA -0.096 4.241 4.350 -0.020 0.000 0.199 1297 E C 1.340 177.998 176.600 0.097 0.000 1.008 1297 E CA 1.381 57.821 56.400 0.066 0.000 0.843 1297 E CB -0.560 29.174 29.700 0.058 0.000 0.761 1297 E HN 0.716 nan 8.360 nan 0.000 0.507 1298 G N 0.409 109.306 108.800 0.162 0.000 2.610 1298 G HA2 0.090 4.038 3.960 -0.020 0.000 0.215 1298 G HA3 0.090 4.038 3.960 -0.020 0.000 0.215 1298 G C 0.517 175.632 174.900 0.359 0.000 1.243 1298 G CA 0.654 45.907 45.100 0.255 0.000 0.847 1298 G HN 0.324 nan 8.290 nan 0.000 0.560 1299 F N -1.807 118.134 119.950 -0.014 0.000 2.754 1299 F HA 0.800 5.314 4.527 -0.020 0.000 0.320 1299 F C -0.796 174.989 175.800 -0.026 0.000 1.156 1299 F CA -1.347 56.641 58.000 -0.019 0.000 0.950 1299 F CB 1.573 40.557 39.000 -0.026 0.000 1.388 1299 F HN 0.035 nan 8.300 nan 0.000 0.485 1300 S N 0.001 115.701 115.700 0.001 0.000 2.599 1300 S HA 0.640 5.098 4.470 -0.020 0.000 0.287 1300 S C -1.463 173.040 174.600 -0.162 0.000 1.105 1300 S CA -1.039 57.087 58.200 -0.123 0.000 0.899 1300 S CB 2.223 65.437 63.200 0.023 0.000 1.100 1300 S HN 0.613 nan 8.310 nan 0.000 0.482 1301 K N 1.442 121.656 120.400 -0.311 0.000 2.513 1301 K HA 0.300 4.608 4.320 -0.020 0.000 0.251 1301 K C -1.188 174.894 176.600 -0.864 0.000 0.939 1301 K CA -0.484 55.498 56.287 -0.509 0.000 0.793 1301 K CB 1.794 33.929 32.500 -0.608 0.000 1.241 1301 K HN 0.785 nan 8.250 nan 0.000 0.431 1302 E N 2.446 122.081 120.200 -0.942 0.000 2.283 1302 E HA 0.318 4.656 4.350 -0.020 0.000 0.271 1302 E C -0.999 175.029 176.600 -0.954 0.000 1.031 1302 E CA -0.720 54.862 56.400 -1.365 0.000 0.868 1302 E CB 1.206 30.148 29.700 -1.264 0.000 1.094 1302 E HN 0.388 nan 8.360 nan 0.000 0.401 1303 Y N 0.223 120.220 120.300 -0.505 0.000 2.361 1303 Y HA 0.234 4.772 4.550 -0.020 0.000 0.328 1303 Y C -0.368 175.416 175.900 -0.193 0.000 1.044 1303 Y CA -1.313 56.628 58.100 -0.265 0.000 1.085 1303 Y CB 1.933 40.273 38.460 -0.201 0.000 1.194 1303 Y HN 0.227 nan 8.280 nan 0.000 0.438 1304 K N 4.287 124.704 120.400 0.029 0.000 2.447 1304 K HA 0.209 4.516 4.320 -0.020 0.000 0.281 1304 K C -0.570 176.042 176.600 0.020 0.000 1.031 1304 K CA 0.154 56.450 56.287 0.014 0.000 1.019 1304 K CB 0.785 33.291 32.500 0.009 0.000 0.918 1304 K HN 0.593 nan 8.250 nan 0.000 0.476 1305 L N 6.110 127.347 121.223 0.024 0.000 2.502 1305 L HA 0.253 4.581 4.340 -0.020 0.000 0.247 1305 L C -2.266 174.614 176.870 0.016 0.000 1.180 1305 L CA -2.034 52.815 54.840 0.016 0.000 0.956 1305 L CB 1.157 43.232 42.059 0.026 0.000 1.282 1305 L HN 0.343 nan 8.230 nan 0.000 0.470 1306 P HA -0.103 nan 4.420 nan 0.000 0.271 1306 P C 0.622 177.927 177.300 0.009 0.000 1.212 1306 P CA 0.224 63.330 63.100 0.009 0.000 0.788 1306 P CB 0.606 32.307 31.700 0.003 0.000 0.865 1307 K N 1.098 121.504 120.400 0.010 0.000 2.071 1307 K HA -0.297 4.011 4.320 -0.020 0.000 0.217 1307 K C 1.414 178.019 176.600 0.008 0.000 1.054 1307 K CA 2.051 58.343 56.287 0.010 0.000 0.937 1307 K CB -0.708 31.797 32.500 0.009 0.000 0.719 1307 K HN 0.346 nan 8.250 nan 0.000 0.454 1308 E N 1.278 121.481 120.200 0.005 0.000 2.150 1308 E HA 0.006 4.344 4.350 -0.020 0.000 0.193 1308 E C 0.518 177.120 176.600 0.003 0.000 0.985 1308 E CA 0.799 57.201 56.400 0.004 0.000 0.814 1308 E CB -0.176 29.525 29.700 0.001 0.000 0.752 1308 E HN 0.472 nan 8.360 nan 0.000 0.466 1309 A N 2.415 125.236 122.820 0.001 0.000 2.550 1309 A HA -0.072 4.235 4.320 -0.020 0.000 0.263 1309 A C -0.032 177.553 177.584 0.002 0.000 1.065 1309 A CA 0.237 52.273 52.037 -0.002 0.000 0.786 1309 A CB -0.422 18.577 19.000 -0.003 0.000 0.985 1309 A HN 0.221 nan 8.150 nan 0.000 0.518 1310 R N 3.716 124.216 120.500 0.000 0.000 2.205 1310 R HA 0.481 4.809 4.340 -0.020 0.000 0.342 1310 R C -0.354 175.947 176.300 0.001 0.000 1.058 1310 R CA -0.557 55.545 56.100 0.003 0.000 0.904 1310 R CB 0.090 30.392 30.300 0.004 0.000 1.089 1310 R HN 0.670 nan 8.270 nan 0.000 0.471 1311 L N 1.157 122.384 121.223 0.006 0.000 2.305 1311 L HA 0.310 4.638 4.340 -0.020 0.000 0.281 1311 L C 0.279 177.153 176.870 0.006 0.000 1.085 1311 L CA -0.723 54.121 54.840 0.005 0.000 0.813 1311 L CB 0.886 42.953 42.059 0.015 0.000 1.157 1311 L HN 0.677 nan 8.230 nan 0.000 0.436 1312 L N 3.269 124.493 121.223 0.002 0.000 2.307 1312 L HA 0.184 4.512 4.340 -0.020 0.000 0.211 1312 L C 0.967 177.842 176.870 0.008 0.000 1.099 1312 L CA 0.251 55.094 54.840 0.004 0.000 0.816 1312 L CB 0.666 42.725 42.059 0.001 0.000 0.952 1312 L HN 0.608 nan 8.230 nan 0.000 0.455 1313 V N 0.457 120.377 119.914 0.009 0.000 2.743 1313 V HA 0.218 4.325 4.120 -0.020 0.000 0.301 1313 V C -0.103 176.003 176.094 0.019 0.000 1.057 1313 V CA -0.417 61.891 62.300 0.014 0.000 1.006 1313 V CB 1.817 33.648 31.823 0.012 0.000 1.024 1313 V HN 0.107 nan 8.190 nan 0.000 0.473 1314 K N 2.667 123.080 120.400 0.021 0.000 2.340 1314 K HA 0.342 4.650 4.320 -0.020 0.000 0.244 1314 K C -0.679 175.935 176.600 0.022 0.000 0.973 1314 K CA -0.873 55.427 56.287 0.020 0.000 0.828 1314 K CB 1.458 33.968 32.500 0.017 0.000 1.226 1314 K HN 0.659 nan 8.250 nan 0.000 0.437 1315 D N 1.510 121.921 120.400 0.019 0.000 2.383 1315 D HA 0.087 4.715 4.640 -0.020 0.000 0.275 1315 D C 0.437 176.745 176.300 0.014 0.000 1.344 1315 D CA 1.417 55.427 54.000 0.016 0.000 0.984 1315 D CB 0.701 41.506 40.800 0.008 0.000 1.104 1315 D HN 0.838 nan 8.370 nan 0.000 0.524 1316 G N 3.620 112.431 108.800 0.018 0.000 4.386 1316 G HA2 -0.154 3.794 3.960 -0.020 0.000 0.185 1316 G HA3 -0.154 3.794 3.960 -0.020 0.000 0.185 1316 G C 0.104 175.025 174.900 0.035 0.000 1.725 1316 G CA -0.438 44.674 45.100 0.021 0.000 0.941 1316 G HN 0.437 nan 8.290 nan 0.000 0.315 1317 D N -0.476 119.951 120.400 0.045 0.000 2.440 1317 D HA 0.546 5.174 4.640 -0.020 0.000 0.258 1317 D C -0.571 175.786 176.300 0.095 0.000 1.092 1317 D CA -0.487 53.560 54.000 0.080 0.000 1.016 1317 D CB 1.296 42.143 40.800 0.078 0.000 1.141 1317 D HN 0.098 nan 8.370 nan 0.000 0.552 1318 Y N 0.405 120.702 120.300 -0.005 0.000 2.578 1318 Y HA 0.201 4.738 4.550 -0.021 0.000 0.339 1318 Y C 0.034 175.929 175.900 -0.007 0.000 1.231 1318 Y CA 0.287 58.382 58.100 -0.008 0.000 1.461 1318 Y CB 0.450 38.904 38.460 -0.010 0.000 1.323 1318 Y HN -0.011 nan 8.280 nan 0.000 0.590 1319 V N 3.354 123.094 119.914 -0.291 0.000 2.462 1319 V HA 0.385 4.493 4.120 -0.020 0.000 0.288 1319 V C -0.526 175.442 176.094 -0.210 0.000 1.020 1319 V CA -1.233 60.983 62.300 -0.140 0.000 0.857 1319 V CB 1.019 32.769 31.823 -0.121 0.000 1.013 1319 V HN 0.813 nan 8.190 nan 0.000 0.431 1320 E N 3.234 123.459 120.200 0.041 0.000 2.442 1320 E HA 0.508 4.845 4.350 -0.020 0.000 0.260 1320 E C 0.858 177.445 176.600 -0.021 0.000 1.148 1320 E CA 0.500 56.951 56.400 0.085 0.000 0.976 1320 E CB 0.948 30.731 29.700 0.138 0.000 0.967 1320 E HN 1.197 nan 8.360 nan 0.000 0.454 1321 A N 1.829 124.642 122.820 -0.012 0.000 2.531 1321 A HA 0.388 4.695 4.320 -0.020 0.000 0.236 1321 A C 1.140 178.697 177.584 -0.046 0.000 1.062 1321 A CA 0.470 52.486 52.037 -0.036 0.000 0.760 1321 A CB -0.499 18.492 19.000 -0.015 0.000 0.995 1321 A HN 1.027 nan 8.150 nan 0.000 0.501 1322 G N 0.387 109.142 108.800 -0.074 0.000 2.179 1322 G HA2 -0.274 3.673 3.960 -0.020 0.000 0.257 1322 G HA3 -0.274 3.673 3.960 -0.020 0.000 0.257 1322 G C 0.246 175.078 174.900 -0.113 0.000 1.010 1322 G CA 0.827 45.863 45.100 -0.107 0.000 0.736 1322 G HN 1.238 nan 8.290 nan 0.000 0.513 1323 Q N 0.190 119.936 119.800 -0.090 0.000 2.259 1323 Q HA 0.534 4.862 4.340 -0.020 0.000 0.246 1323 Q C -2.385 173.560 176.000 -0.093 0.000 0.920 1323 Q CA -2.110 53.651 55.803 -0.072 0.000 0.895 1323 Q CB 1.242 29.959 28.738 -0.037 0.000 1.220 1323 Q HN 0.146 nan 8.270 nan 0.000 0.439 1324 P HA -0.054 nan 4.420 nan 0.000 0.265 1324 P C -0.674 176.587 177.300 -0.065 0.000 1.222 1324 P CA 0.331 63.385 63.100 -0.077 0.000 0.767 1324 P CB 0.617 32.292 31.700 -0.042 0.000 0.801 1325 L N 3.291 124.461 121.223 -0.090 0.000 2.575 1325 L HA 0.208 4.536 4.340 -0.020 0.000 0.228 1325 L C 0.684 177.523 176.870 -0.052 0.000 1.075 1325 L CA 1.390 56.189 54.840 -0.068 0.000 0.867 1325 L CB 0.207 42.207 42.059 -0.098 0.000 1.097 1325 L HN 0.243 nan 8.230 nan 0.000 0.485 1326 T N -0.569 113.944 114.554 -0.067 0.000 2.937 1326 T HA 0.408 4.745 4.350 -0.020 0.000 0.283 1326 T C -0.426 174.255 174.700 -0.033 0.000 1.012 1326 T CA -0.571 61.501 62.100 -0.047 0.000 0.997 1326 T CB 1.978 70.809 68.868 -0.062 0.000 1.136 1326 T HN -0.045 nan 8.240 nan 0.000 0.551 1327 R N -0.222 120.266 120.500 -0.019 0.000 2.460 1327 R HA 0.610 4.938 4.340 -0.020 0.000 0.303 1327 R C 0.350 176.647 176.300 -0.004 0.000 0.968 1327 R CA 0.382 56.477 56.100 -0.008 0.000 0.889 1327 R CB 0.679 30.978 30.300 -0.001 0.000 1.123 1327 R HN 0.989 nan 8.270 nan 0.000 0.455 1328 G N 1.786 110.589 108.800 0.006 0.000 2.250 1328 G HA2 0.057 4.005 3.960 -0.020 0.000 0.196 1328 G HA3 0.057 4.005 3.960 -0.020 0.000 0.196 1328 G C -1.260 173.664 174.900 0.039 0.000 1.308 1328 G CA -0.372 44.738 45.100 0.017 0.000 1.207 1328 G HN 0.805 nan 8.290 nan 0.000 0.505 1329 A N -0.294 122.551 122.820 0.043 0.000 2.332 1329 A HA 0.755 5.062 4.320 -0.020 0.000 0.258 1329 A C 0.143 177.752 177.584 0.042 0.000 1.087 1329 A CA 0.167 52.254 52.037 0.083 0.000 0.802 1329 A CB 0.129 19.169 19.000 0.066 0.000 1.042 1329 A HN 1.116 nan 8.150 nan 0.000 0.489 1330 I N 0.649 121.262 120.570 0.071 0.000 2.545 1330 I HA 0.226 4.383 4.170 -0.020 0.000 0.292 1330 I C -1.008 175.062 176.117 -0.079 0.000 1.040 1330 I CA -0.735 60.489 61.300 -0.127 0.000 1.068 1330 I CB 2.175 39.859 38.000 -0.526 0.000 1.251 1330 I HN 0.695 nan 8.210 nan 0.000 0.424 1331 D N 7.821 128.165 120.400 -0.094 0.000 2.316 1331 D HA 0.232 4.860 4.640 -0.020 0.000 0.245 1331 D C -1.822 174.417 176.300 -0.102 0.000 1.171 1331 D CA -2.145 51.829 54.000 -0.043 0.000 0.856 1331 D CB 1.669 42.474 40.800 0.007 0.000 1.090 1331 D HN 0.127 nan 8.370 nan 0.000 0.476 1332 P HA -0.238 nan 4.420 nan 0.000 0.218 1332 P C 1.036 178.232 177.300 -0.172 0.000 1.154 1332 P CA 1.388 64.391 63.100 -0.162 0.000 0.872 1332 P CB 0.039 31.625 31.700 -0.190 0.000 0.790 1333 H N -0.507 118.561 119.070 -0.003 0.000 2.319 1333 H HA -0.131 4.413 4.556 -0.020 0.000 0.299 1333 H C 2.076 177.385 175.328 -0.031 0.000 1.092 1333 H CA 1.480 57.525 56.048 -0.005 0.000 1.302 1333 H CB -0.827 28.936 29.762 0.001 0.000 1.373 1333 H HN 0.328 nan 8.280 nan 0.000 0.497 1334 Q N 0.087 119.925 119.800 0.062 0.000 2.030 1334 Q HA -0.141 4.187 4.340 -0.020 0.000 0.204 1334 Q C 2.583 178.547 176.000 -0.061 0.000 0.986 1334 Q CA 1.263 57.056 55.803 -0.017 0.000 0.843 1334 Q CB -0.316 28.384 28.738 -0.064 0.000 0.904 1334 Q HN 0.206 nan 8.270 nan 0.000 0.420 1335 L N 0.890 122.041 121.223 -0.119 0.000 2.129 1335 L HA -0.202 4.126 4.340 -0.020 0.000 0.212 1335 L C 2.127 178.951 176.870 -0.075 0.000 1.087 1335 L CA 1.148 55.899 54.840 -0.148 0.000 0.757 1335 L CB -0.382 41.518 42.059 -0.264 0.000 0.896 1335 L HN 0.237 nan 8.230 nan 0.000 0.434 1336 L N -0.409 120.793 121.223 -0.035 0.000 2.005 1336 L HA -0.195 4.133 4.340 -0.020 0.000 0.207 1336 L C 2.286 179.163 176.870 0.011 0.000 1.072 1336 L CA 1.910 56.753 54.840 0.005 0.000 0.744 1336 L CB -0.696 41.393 42.059 0.049 0.000 0.895 1336 L HN 0.348 nan 8.230 nan 0.000 0.433 1337 E N -0.252 119.958 120.200 0.016 0.000 2.268 1337 E HA -0.121 4.216 4.350 -0.020 0.000 0.195 1337 E C 1.899 178.498 176.600 -0.003 0.000 0.995 1337 E CA 0.762 57.169 56.400 0.012 0.000 0.836 1337 E CB -0.177 29.533 29.700 0.017 0.000 0.763 1337 E HN 0.705 nan 8.360 nan 0.000 0.491 1338 A N 1.662 124.470 122.820 -0.020 0.000 1.865 1338 A HA -0.039 4.269 4.320 -0.020 0.000 0.216 1338 A C 1.947 179.519 177.584 -0.020 0.000 1.315 1338 A CA 0.842 52.863 52.037 -0.027 0.000 0.605 1338 A CB -0.115 18.851 19.000 -0.058 0.000 0.984 1338 A HN -0.058 nan 8.150 nan 0.000 0.470 1339 K N -1.407 118.976 120.400 -0.030 0.000 2.137 1339 K HA 0.298 4.606 4.320 -0.020 0.000 0.202 1339 K C 0.728 177.323 176.600 -0.009 0.000 1.052 1339 K CA 0.682 56.958 56.287 -0.018 0.000 0.961 1339 K CB 0.054 32.541 32.500 -0.023 0.000 0.741 1339 K HN 0.765 nan 8.250 nan 0.000 0.452 1340 G N -0.472 108.324 108.800 -0.007 0.000 2.355 1340 G HA2 -0.114 3.833 3.960 -0.020 0.000 0.619 1340 G HA3 -0.114 3.833 3.960 -0.020 0.000 0.619 1340 G C -2.665 172.244 174.900 0.015 0.000 1.337 1340 G CA -0.930 44.173 45.100 0.006 0.000 0.993 1340 G HN -0.236 nan 8.290 nan 0.000 0.599 1341 P HA -0.078 nan 4.420 nan 0.000 0.216 1341 P C 1.510 178.826 177.300 0.028 0.000 1.154 1341 P CA 2.017 65.142 63.100 0.043 0.000 0.865 1341 P CB 0.028 31.767 31.700 0.064 0.000 0.789 1342 E N -0.931 119.279 120.200 0.017 0.000 2.265 1342 E HA -0.112 4.225 4.350 -0.020 0.000 0.196 1342 E C 1.877 178.482 176.600 0.009 0.000 0.996 1342 E CA 1.097 57.500 56.400 0.005 0.000 0.832 1342 E CB -0.375 29.319 29.700 -0.010 0.000 0.756 1342 E HN 0.266 nan 8.360 nan 0.000 0.491 1343 A N 0.892 123.718 122.820 0.009 0.000 1.901 1343 A HA -0.014 4.293 4.320 -0.020 0.000 0.210 1343 A C 2.505 180.109 177.584 0.035 0.000 1.208 1343 A CA 0.410 52.455 52.037 0.012 0.000 0.644 1343 A CB -0.373 18.620 19.000 -0.012 0.000 0.863 1343 A HN 0.106 nan 8.150 nan 0.000 0.454 1344 V N 0.157 120.084 119.914 0.021 0.000 2.255 1344 V HA -0.321 3.787 4.120 -0.020 0.000 0.247 1344 V C 2.294 178.436 176.094 0.080 0.000 1.051 1344 V CA 2.422 64.750 62.300 0.046 0.000 1.018 1344 V CB -1.293 30.539 31.823 0.015 0.000 0.641 1344 V HN 0.635 nan 8.190 nan 0.000 0.445 1345 E N 0.192 120.418 120.200 0.044 0.000 2.055 1345 E HA -0.318 4.020 4.350 -0.020 0.000 0.209 1345 E C 2.480 179.092 176.600 0.020 0.000 1.036 1345 E CA 2.268 58.685 56.400 0.029 0.000 0.849 1345 E CB -0.241 29.474 29.700 0.024 0.000 0.767 1345 E HN 0.443 nan 8.360 nan 0.000 0.461 1346 R N -1.067 119.451 120.500 0.030 0.000 2.235 1346 R HA -0.130 4.198 4.340 -0.020 0.000 0.213 1346 R C 2.068 178.390 176.300 0.036 0.000 1.059 1346 R CA 0.806 56.915 56.100 0.015 0.000 0.997 1346 R CB -0.084 30.227 30.300 0.017 0.000 0.884 1346 R HN 0.318 nan 8.270 nan 0.000 0.462 1347 Y N -0.037 120.225 120.300 -0.063 0.000 2.206 1347 Y HA -0.148 4.390 4.550 -0.020 0.000 0.292 1347 Y C 1.617 177.456 175.900 -0.103 0.000 1.123 1347 Y CA 0.992 59.048 58.100 -0.074 0.000 1.142 1347 Y CB -0.147 38.271 38.460 -0.069 0.000 1.006 1347 Y HN -0.038 nan 8.280 nan 0.000 0.518 1348 L N -0.167 121.018 121.223 -0.064 0.000 1.956 1348 L HA -0.229 4.098 4.340 -0.020 0.000 0.216 1348 L C 2.574 179.255 176.870 -0.315 0.000 1.073 1348 L CA 1.690 56.394 54.840 -0.227 0.000 0.762 1348 L CB -1.644 40.343 42.059 -0.120 0.000 0.889 1348 L HN 0.212 nan 8.230 nan 0.000 0.433 1349 V N -0.158 119.634 119.914 -0.204 0.000 2.215 1349 V HA -0.385 3.722 4.120 -0.020 0.000 0.249 1349 V C 2.602 178.554 176.094 -0.235 0.000 1.054 1349 V CA 2.281 64.465 62.300 -0.193 0.000 1.012 1349 V CB -0.629 31.129 31.823 -0.108 0.000 0.639 1349 V HN 0.549 nan 8.190 nan 0.000 0.448 1350 E N -0.168 119.907 120.200 -0.208 0.000 2.077 1350 E HA -0.273 4.065 4.350 -0.020 0.000 0.193 1350 E C 2.207 178.638 176.600 -0.282 0.000 0.989 1350 E CA 1.707 57.984 56.400 -0.206 0.000 0.800 1350 E CB -0.247 29.364 29.700 -0.148 0.000 0.746 1350 E HN 0.662 nan 8.360 nan 0.000 0.452 1351 E N -0.284 119.657 120.200 -0.432 0.000 2.409 1351 E HA -0.131 4.207 4.350 -0.020 0.000 0.198 1351 E C 1.783 178.167 176.600 -0.361 0.000 1.024 1351 E CA 0.541 56.669 56.400 -0.454 0.000 0.861 1351 E CB 0.030 29.273 29.700 -0.763 0.000 0.788 1351 E HN 0.424 nan 8.360 nan 0.000 0.521 1352 I N 0.448 120.784 120.570 -0.390 0.000 2.333 1352 I HA -0.207 3.950 4.170 -0.020 0.000 0.246 1352 I C 2.252 178.144 176.117 -0.375 0.000 1.106 1352 I CA 0.760 61.811 61.300 -0.415 0.000 1.411 1352 I CB -0.032 37.626 38.000 -0.571 0.000 1.082 1352 I HN 0.095 nan 8.210 nan 0.000 0.420 1353 Q N 0.620 120.231 119.800 -0.314 0.000 2.436 1353 Q HA -0.130 4.198 4.340 -0.020 0.000 0.209 1353 Q C 1.911 177.842 176.000 -0.115 0.000 0.965 1353 Q CA 0.636 56.300 55.803 -0.231 0.000 0.910 1353 Q CB 0.109 28.744 28.738 -0.172 0.000 0.980 1353 Q HN 0.469 nan 8.270 nan 0.000 0.491 1354 K N 0.020 120.340 120.400 -0.133 0.000 2.103 1354 K HA -0.127 4.181 4.320 -0.020 0.000 0.207 1354 K C 2.037 178.626 176.600 -0.019 0.000 1.048 1354 K CA 1.235 57.473 56.287 -0.081 0.000 0.930 1354 K CB 0.056 32.492 32.500 -0.107 0.000 0.716 1354 K HN 0.047 nan 8.250 nan 0.000 0.444 1355 V N 0.370 120.290 119.914 0.010 0.000 2.283 1355 V HA -0.243 3.864 4.120 -0.020 0.000 0.243 1355 V C 2.060 178.283 176.094 0.215 0.000 1.039 1355 V CA 1.567 63.932 62.300 0.108 0.000 1.016 1355 V CB -0.706 31.217 31.823 0.168 0.000 0.650 1355 V HN 0.151 nan 8.190 nan 0.000 0.449 1356 Y N 1.227 121.502 120.300 -0.042 0.000 2.070 1356 Y HA -0.199 4.339 4.550 -0.020 0.000 0.280 1356 Y C 2.748 178.624 175.900 -0.038 0.000 1.148 1356 Y CA 1.409 59.490 58.100 -0.032 0.000 1.125 1356 Y CB -1.095 37.354 38.460 -0.018 0.000 0.975 1356 Y HN 0.155 nan 8.280 nan 0.000 0.492 1357 R N -0.070 120.513 120.500 0.138 0.000 2.113 1357 R HA -0.236 4.092 4.340 -0.020 0.000 0.244 1357 R C 2.489 178.800 176.300 0.019 0.000 1.142 1357 R CA 1.641 57.768 56.100 0.045 0.000 0.953 1357 R CB -0.850 29.452 30.300 0.005 0.000 0.860 1357 R HN 0.346 nan 8.270 nan 0.000 0.438 1358 A N 0.816 123.648 122.820 0.020 0.000 1.978 1358 A HA -0.196 4.111 4.320 -0.020 0.000 0.220 1358 A C 1.972 179.551 177.584 -0.009 0.000 1.170 1358 A CA 1.313 53.350 52.037 0.000 0.000 0.636 1358 A CB -0.243 18.758 19.000 0.000 0.000 0.810 1358 A HN 0.337 nan 8.150 nan 0.000 0.448 1359 Q N -2.608 117.186 119.800 -0.010 0.000 2.302 1359 Q HA 0.201 4.529 4.340 -0.020 0.000 0.202 1359 Q C 1.404 177.379 176.000 -0.042 0.000 0.936 1359 Q CA 0.900 56.680 55.803 -0.038 0.000 0.886 1359 Q CB 0.485 29.181 28.738 -0.069 0.000 0.986 1359 Q HN 0.821 nan 8.270 nan 0.000 0.487 1360 G N 0.008 108.789 108.800 -0.031 0.000 2.813 1360 G HA2 -0.169 3.779 3.960 -0.020 0.000 0.194 1360 G HA3 -0.169 3.779 3.960 -0.020 0.000 0.194 1360 G C 0.101 174.984 174.900 -0.028 0.000 1.010 1360 G CA -0.278 44.801 45.100 -0.033 0.000 0.771 1360 G HN 0.113 nan 8.290 nan 0.000 0.485 1361 V N 2.143 122.038 119.914 -0.032 0.000 2.599 1361 V HA 0.295 4.402 4.120 -0.020 0.000 0.300 1361 V C 0.407 176.530 176.094 0.048 0.000 1.034 1361 V CA 0.659 62.951 62.300 -0.014 0.000 1.115 1361 V CB 1.130 32.907 31.823 -0.076 0.000 0.934 1361 V HN 0.295 nan 8.190 nan 0.000 0.485 1362 K N 5.733 126.150 120.400 0.028 0.000 2.499 1362 K HA 0.457 4.765 4.320 -0.020 0.000 0.215 1362 K C -0.806 175.822 176.600 0.047 0.000 1.041 1362 K CA -0.502 55.800 56.287 0.024 0.000 1.031 1362 K CB 0.967 33.456 32.500 -0.019 0.000 1.479 1362 K HN 0.577 nan 8.250 nan 0.000 0.518 1363 L N -0.389 120.897 121.223 0.105 0.000 2.317 1363 L HA 0.457 4.785 4.340 -0.020 0.000 0.281 1363 L C 0.011 176.986 176.870 0.175 0.000 1.024 1363 L CA -0.487 54.438 54.840 0.142 0.000 0.810 1363 L CB 0.944 43.112 42.059 0.182 0.000 1.240 1363 L HN 0.381 nan 8.230 nan 0.000 0.427 1364 H N 2.245 121.413 119.070 0.163 0.000 2.871 1364 H HA 0.052 4.595 4.556 -0.021 0.000 0.355 1364 H C -0.056 175.316 175.328 0.073 0.000 1.092 1364 H CA 0.551 56.657 56.048 0.097 0.000 1.420 1364 H CB 1.098 30.903 29.762 0.072 0.000 1.400 1364 H HN 0.869 nan 8.280 nan 0.000 0.604 1365 D N 4.427 124.846 120.400 0.031 0.000 2.123 1365 D HA -0.155 4.473 4.640 -0.020 0.000 0.196 1365 D C 1.925 178.307 176.300 0.138 0.000 0.992 1365 D CA 1.101 55.131 54.000 0.050 0.000 0.833 1365 D CB 0.081 40.825 40.800 -0.094 0.000 0.954 1365 D HN 0.565 nan 8.370 nan 0.000 0.455 1366 K N -0.143 120.425 120.400 0.280 0.000 2.081 1366 K HA -0.273 4.035 4.320 -0.020 0.000 0.222 1366 K C 2.082 178.547 176.600 -0.225 0.000 1.055 1366 K CA 1.832 57.980 56.287 -0.231 0.000 0.954 1366 K CB -0.263 31.696 32.500 -0.901 0.000 0.732 1366 K HN 0.409 nan 8.250 nan 0.000 0.458 1367 H N 0.107 119.183 119.070 0.010 0.000 2.289 1367 H HA -0.148 4.396 4.556 -0.021 0.000 0.296 1367 H C 2.266 177.643 175.328 0.081 0.000 1.091 1367 H CA 1.922 58.002 56.048 0.053 0.000 1.274 1367 H CB -0.527 29.283 29.762 0.079 0.000 1.364 1367 H HN 0.301 nan 8.280 nan 0.000 0.490 1368 I N 0.882 121.571 120.570 0.199 0.000 2.493 1368 I HA -0.167 3.991 4.170 -0.020 0.000 0.254 1368 I C 2.197 178.390 176.117 0.126 0.000 1.160 1368 I CA 0.931 62.339 61.300 0.180 0.000 1.445 1368 I CB -0.347 37.693 38.000 0.065 0.000 1.086 1368 I HN 0.215 nan 8.210 nan 0.000 0.433 1369 E N 1.512 121.750 120.200 0.064 0.000 2.017 1369 E HA -0.178 4.160 4.350 -0.020 0.000 0.193 1369 E C 2.357 178.994 176.600 0.061 0.000 0.997 1369 E CA 1.175 57.597 56.400 0.038 0.000 0.804 1369 E CB -0.075 29.623 29.700 -0.003 0.000 0.757 1369 E HN 0.339 nan 8.360 nan 0.000 0.448 1370 I N 1.252 121.857 120.570 0.058 0.000 2.181 1370 I HA -0.275 3.883 4.170 -0.020 0.000 0.247 1370 I C 2.436 178.614 176.117 0.102 0.000 1.081 1370 I CA 1.262 62.610 61.300 0.081 0.000 1.340 1370 I CB -1.191 36.875 38.000 0.110 0.000 1.036 1370 I HN 0.023 nan 8.210 nan 0.000 0.417 1371 V N 0.218 120.214 119.914 0.137 0.000 2.239 1371 V HA -0.207 3.900 4.120 -0.020 0.000 0.242 1371 V C 2.555 178.754 176.094 0.174 0.000 1.038 1371 V CA 1.575 63.969 62.300 0.158 0.000 1.002 1371 V CB -0.558 31.402 31.823 0.228 0.000 0.641 1371 V HN 0.264 nan 8.190 nan 0.000 0.449 1372 V N 0.673 120.701 119.914 0.190 0.000 2.278 1372 V HA -0.370 3.738 4.120 -0.020 0.000 0.251 1372 V C 2.696 178.852 176.094 0.103 0.000 1.062 1372 V CA 2.911 65.292 62.300 0.134 0.000 1.038 1372 V CB -0.634 31.228 31.823 0.066 0.000 0.646 1372 V HN 0.606 nan 8.190 nan 0.000 0.447 1373 R N -0.423 120.126 120.500 0.082 0.000 2.133 1373 R HA -0.283 4.044 4.340 -0.020 0.000 0.245 1373 R C 2.191 178.534 176.300 0.071 0.000 1.137 1373 R CA 2.662 58.799 56.100 0.062 0.000 0.947 1373 R CB -0.481 29.849 30.300 0.049 0.000 0.865 1373 R HN 0.667 nan 8.270 nan 0.000 0.437 1374 Q N -0.538 119.313 119.800 0.085 0.000 2.466 1374 Q HA -0.008 4.320 4.340 -0.020 0.000 0.210 1374 Q C 1.676 177.784 176.000 0.181 0.000 0.961 1374 Q CA 0.374 56.237 55.803 0.100 0.000 0.953 1374 Q CB 0.223 29.013 28.738 0.087 0.000 1.011 1374 Q HN 0.503 nan 8.270 nan 0.000 0.516 1375 M N -0.785 118.915 119.600 0.167 0.000 2.447 1375 M HA 0.033 4.500 4.480 -0.020 0.000 0.264 1375 M C 1.345 177.780 176.300 0.226 0.000 1.095 1375 M CA 1.012 56.427 55.300 0.191 0.000 1.125 1375 M CB 0.417 33.106 32.600 0.149 0.000 1.389 1375 M HN 0.255 nan 8.290 nan 0.000 0.459 1376 M N -0.976 118.735 119.600 0.184 0.000 2.346 1376 M HA 0.111 4.579 4.480 -0.020 0.000 0.280 1376 M C 1.495 177.868 176.300 0.121 0.000 1.075 1376 M CA 0.095 55.497 55.300 0.171 0.000 0.989 1376 M CB -0.101 32.566 32.600 0.113 0.000 1.447 1376 M HN 0.097 nan 8.290 nan 0.000 0.511 1377 K N 1.362 121.791 120.400 0.050 0.000 2.362 1377 K HA -0.112 4.196 4.320 -0.020 0.000 0.202 1377 K C -0.621 175.769 176.600 -0.351 0.000 1.045 1377 K CA 1.094 57.250 56.287 -0.217 0.000 0.936 1377 K CB 0.025 32.295 32.500 -0.383 0.000 0.747 1377 K HN 0.223 nan 8.250 nan 0.000 0.467 1378 Y N 0.439 120.765 120.300 0.045 0.000 2.419 1378 Y HA 0.387 4.925 4.550 -0.021 0.000 0.328 1378 Y C 0.076 175.993 175.900 0.028 0.000 1.162 1378 Y CA -1.142 56.989 58.100 0.052 0.000 1.174 1378 Y CB 1.847 40.351 38.460 0.073 0.000 1.228 1378 Y HN -0.087 nan 8.280 nan 0.000 0.473 1379 V N -1.178 118.816 119.914 0.132 0.000 2.971 1379 V HA 0.617 4.724 4.120 -0.020 0.000 0.309 1379 V C -1.029 175.060 176.094 -0.007 0.000 1.130 1379 V CA -1.144 61.170 62.300 0.024 0.000 0.964 1379 V CB 1.893 33.556 31.823 -0.266 0.000 1.029 1379 V HN 0.833 nan 8.190 nan 0.000 0.427 1380 E N 1.892 122.104 120.200 0.021 0.000 2.214 1380 E HA 0.700 5.038 4.350 -0.020 0.000 0.274 1380 E C -1.208 175.322 176.600 -0.116 0.000 0.977 1380 E CA -0.782 55.601 56.400 -0.029 0.000 0.827 1380 E CB 2.126 31.834 29.700 0.013 0.000 1.130 1380 E HN 0.759 nan 8.360 nan 0.000 0.394 1381 V N 3.160 122.959 119.914 -0.190 0.000 2.472 1381 V HA 0.260 4.368 4.120 -0.020 0.000 0.290 1381 V C 0.602 176.627 176.094 -0.114 0.000 1.037 1381 V CA -0.197 61.948 62.300 -0.259 0.000 0.908 1381 V CB 1.456 33.048 31.823 -0.384 0.000 0.985 1381 V HN 1.000 nan 8.190 nan 0.000 0.454 1382 T N -1.235 113.262 114.554 -0.094 0.000 3.009 1382 T HA 0.236 4.574 4.350 -0.020 0.000 0.267 1382 T C -0.055 174.618 174.700 -0.044 0.000 0.942 1382 T CA -0.090 61.975 62.100 -0.059 0.000 0.883 1382 T CB 0.409 69.242 68.868 -0.058 0.000 1.192 1382 T HN 0.501 nan 8.240 nan 0.000 0.524 1383 D N 2.715 123.090 120.400 -0.041 0.000 2.363 1383 D HA 0.418 5.046 4.640 -0.020 0.000 0.258 1383 D C -2.897 173.416 176.300 0.022 0.000 1.259 1383 D CA -1.673 52.321 54.000 -0.010 0.000 0.921 1383 D CB 2.070 42.863 40.800 -0.012 0.000 1.201 1383 D HN 0.100 nan 8.370 nan 0.000 0.524 1384 P HA 0.354 nan 4.420 nan 0.000 0.274 1384 P C 0.517 177.878 177.300 0.101 0.000 1.246 1384 P CA -0.191 62.964 63.100 0.092 0.000 0.795 1384 P CB 1.602 33.351 31.700 0.082 0.000 1.006 1385 G N -0.500 108.385 108.800 0.141 0.000 2.522 1385 G HA2 -0.033 3.915 3.960 -0.020 0.000 0.177 1385 G HA3 -0.033 3.915 3.960 -0.020 0.000 0.177 1385 G C 0.828 175.792 174.900 0.107 0.000 1.298 1385 G CA 0.309 45.480 45.100 0.117 0.000 0.670 1385 G HN 0.511 nan 8.290 nan 0.000 0.664 1386 D N 0.048 120.524 120.400 0.127 0.000 2.149 1386 D HA 0.118 4.745 4.640 -0.020 0.000 0.206 1386 D C 0.334 176.689 176.300 0.093 0.000 0.967 1386 D CA 0.780 54.831 54.000 0.085 0.000 0.848 1386 D CB 0.548 41.376 40.800 0.047 0.000 0.998 1386 D HN 0.152 nan 8.370 nan 0.000 0.474 1387 S N -0.771 115.017 115.700 0.147 0.000 2.568 1387 S HA 0.407 4.865 4.470 -0.020 0.000 0.293 1387 S C -0.573 174.118 174.600 0.152 0.000 1.089 1387 S CA -0.748 57.534 58.200 0.137 0.000 0.945 1387 S CB 2.167 65.454 63.200 0.145 0.000 1.077 1387 S HN 0.264 nan 8.310 nan 0.000 0.485 1388 R N 1.782 122.344 120.500 0.103 0.000 2.655 1388 R HA -0.080 4.247 4.340 -0.020 0.000 0.266 1388 R C 1.234 177.583 176.300 0.083 0.000 0.981 1388 R CA 0.434 56.578 56.100 0.074 0.000 1.098 1388 R CB 0.057 30.389 30.300 0.053 0.000 0.928 1388 R HN 0.570 nan 8.270 nan 0.000 0.425 1389 L N 3.724 124.973 121.223 0.042 0.000 1.932 1389 L HA -0.029 4.299 4.340 -0.020 0.000 0.217 1389 L C 0.842 177.719 176.870 0.011 0.000 1.077 1389 L CA 1.297 56.146 54.840 0.015 0.000 0.765 1389 L CB -0.915 41.140 42.059 -0.007 0.000 0.888 1389 L HN 0.484 nan 8.230 nan 0.000 0.433 1390 L N 1.907 123.137 121.223 0.011 0.000 2.600 1390 L HA 0.203 4.531 4.340 -0.020 0.000 0.278 1390 L C -0.171 176.725 176.870 0.042 0.000 1.139 1390 L CA 0.634 55.482 54.840 0.014 0.000 0.933 1390 L CB -0.730 41.334 42.059 0.008 0.000 1.266 1390 L HN 0.508 nan 8.230 nan 0.000 0.471 1391 E N 2.018 122.251 120.200 0.055 0.000 2.363 1391 E HA 0.345 4.683 4.350 -0.020 0.000 0.281 1391 E C -0.618 176.054 176.600 0.120 0.000 0.953 1391 E CA -0.654 55.812 56.400 0.111 0.000 0.778 1391 E CB 2.466 32.285 29.700 0.198 0.000 1.220 1391 E HN 0.580 nan 8.360 nan 0.000 0.431 1392 G N 2.351 111.240 108.800 0.149 0.000 2.415 1392 G HA2 0.446 4.393 3.960 -0.020 0.000 0.317 1392 G HA3 0.446 4.393 3.960 -0.020 0.000 0.317 1392 G C -0.458 174.623 174.900 0.303 0.000 1.152 1392 G CA -0.184 45.021 45.100 0.176 0.000 0.956 1392 G HN 0.146 nan 8.290 nan 0.000 0.458 1393 Q N 1.176 121.238 119.800 0.437 0.000 2.456 1393 Q HA 0.321 4.648 4.340 -0.020 0.000 0.283 1393 Q C -0.459 175.861 176.000 0.533 0.000 1.084 1393 Q CA -0.975 55.174 55.803 0.576 0.000 0.801 1393 Q CB 2.851 32.065 28.738 0.794 0.000 1.434 1393 Q HN 0.328 nan 8.270 nan 0.000 0.419 1394 V N 2.758 122.829 119.914 0.260 0.000 2.584 1394 V HA -0.171 3.937 4.120 -0.020 0.000 0.303 1394 V C 1.915 178.055 176.094 0.077 0.000 1.035 1394 V CA 0.714 63.011 62.300 -0.005 0.000 1.172 1394 V CB -0.399 31.370 31.823 -0.090 0.000 0.896 1394 V HN 0.788 nan 8.190 nan 0.000 0.486 1395 L N 4.261 125.447 121.223 -0.062 0.000 1.951 1395 L HA -0.198 4.130 4.340 -0.020 0.000 0.222 1395 L C 2.384 179.162 176.870 -0.154 0.000 1.078 1395 L CA 2.388 57.137 54.840 -0.151 0.000 0.778 1395 L CB -0.306 41.606 42.059 -0.245 0.000 0.893 1395 L HN 0.856 nan 8.230 nan 0.000 0.436 1396 E N -0.390 119.697 120.200 -0.187 0.000 2.204 1396 E HA -0.258 4.079 4.350 -0.020 0.000 0.195 1396 E C 2.046 178.536 176.600 -0.183 0.000 0.990 1396 E CA 1.085 57.373 56.400 -0.187 0.000 0.821 1396 E CB 0.023 29.592 29.700 -0.218 0.000 0.750 1396 E HN 0.538 nan 8.360 nan 0.000 0.477 1397 K N -0.688 119.584 120.400 -0.214 0.000 2.281 1397 K HA -0.174 4.134 4.320 -0.020 0.000 0.203 1397 K C 1.475 177.821 176.600 -0.423 0.000 1.046 1397 K CA 1.306 57.407 56.287 -0.310 0.000 0.938 1397 K CB -0.084 32.203 32.500 -0.354 0.000 0.737 1397 K HN 0.302 nan 8.250 nan 0.000 0.458 1398 W N 0.763 121.955 121.300 -0.180 0.000 2.630 1398 W HA 0.006 4.654 4.660 -0.021 0.000 0.271 1398 W C 1.549 177.980 176.519 -0.146 0.000 1.244 1398 W CA -0.103 57.145 57.345 -0.161 0.000 1.353 1398 W CB 0.133 29.445 29.460 -0.247 0.000 1.080 1398 W HN -0.035 nan 8.180 nan 0.000 0.594 1399 D N 0.272 120.668 120.400 -0.007 0.000 2.310 1399 D HA -0.110 4.518 4.640 -0.020 0.000 0.212 1399 D C 2.096 178.393 176.300 -0.006 0.000 0.965 1399 D CA 0.937 54.930 54.000 -0.012 0.000 0.879 1399 D CB 0.030 40.790 40.800 -0.067 0.000 0.921 1399 D HN 0.034 nan 8.370 nan 0.000 0.510 1400 V N 0.612 120.497 119.914 -0.049 0.000 2.256 1400 V HA -0.168 3.940 4.120 -0.020 0.000 0.240 1400 V C 2.455 178.533 176.094 -0.026 0.000 1.036 1400 V CA 1.527 63.791 62.300 -0.060 0.000 1.008 1400 V CB -0.392 31.362 31.823 -0.116 0.000 0.648 1400 V HN 0.132 nan 8.190 nan 0.000 0.453 1401 E N 0.080 120.256 120.200 -0.040 0.000 2.153 1401 E HA -0.183 4.154 4.350 -0.020 0.000 0.194 1401 E C 2.119 178.767 176.600 0.081 0.000 0.988 1401 E CA 1.266 57.666 56.400 -0.000 0.000 0.811 1401 E CB -0.167 29.505 29.700 -0.047 0.000 0.746 1401 E HN 0.546 nan 8.360 nan 0.000 0.466 1402 A N 1.147 124.048 122.820 0.135 0.000 1.855 1402 A HA -0.129 4.178 4.320 -0.020 0.000 0.215 1402 A C 2.187 179.839 177.584 0.113 0.000 1.191 1402 A CA 1.074 53.212 52.037 0.168 0.000 0.613 1402 A CB -0.855 18.291 19.000 0.243 0.000 0.829 1402 A HN 0.383 nan 8.150 nan 0.000 0.442 1403 L N -0.149 121.128 121.223 0.088 0.000 2.013 1403 L HA -0.281 4.047 4.340 -0.020 0.000 0.212 1403 L C 2.260 179.159 176.870 0.048 0.000 1.073 1403 L CA 2.244 57.122 54.840 0.063 0.000 0.753 1403 L CB -0.393 41.691 42.059 0.042 0.000 0.890 1403 L HN 0.424 nan 8.230 nan 0.000 0.432 1404 N N -0.597 118.126 118.700 0.038 0.000 2.188 1404 N HA -0.215 4.512 4.740 -0.020 0.000 0.184 1404 N C 1.722 177.254 175.510 0.037 0.000 1.018 1404 N CA 1.319 54.386 53.050 0.029 0.000 0.858 1404 N CB -0.009 38.488 38.487 0.017 0.000 0.989 1404 N HN 0.373 nan 8.380 nan 0.000 0.426 1405 E N 0.201 120.431 120.200 0.051 0.000 2.047 1405 E HA -0.130 4.208 4.350 -0.020 0.000 0.191 1405 E C 2.060 178.690 176.600 0.051 0.000 0.987 1405 E CA 0.775 57.208 56.400 0.054 0.000 0.799 1405 E CB 0.104 29.849 29.700 0.075 0.000 0.752 1405 E HN 0.226 nan 8.360 nan 0.000 0.449 1406 R N 0.115 120.649 120.500 0.058 0.000 2.062 1406 R HA -0.102 4.226 4.340 -0.020 0.000 0.229 1406 R C 2.329 178.653 176.300 0.039 0.000 1.128 1406 R CA 0.941 57.071 56.100 0.050 0.000 0.960 1406 R CB -0.227 30.108 30.300 0.059 0.000 0.855 1406 R HN 0.163 nan 8.270 nan 0.000 0.432 1407 L N 1.084 122.330 121.223 0.038 0.000 1.994 1407 L HA -0.039 4.289 4.340 -0.020 0.000 0.208 1407 L C 1.170 178.055 176.870 0.025 0.000 1.071 1407 L CA 1.070 55.927 54.840 0.029 0.000 0.745 1407 L CB -0.185 41.891 42.059 0.027 0.000 0.892 1407 L HN 0.166 nan 8.230 nan 0.000 0.431 1408 I N -0.051 120.534 120.570 0.025 0.000 2.938 1408 I HA 0.013 4.171 4.170 -0.020 0.000 0.285 1408 I C 0.963 177.094 176.117 0.023 0.000 1.182 1408 I CA -0.424 60.889 61.300 0.022 0.000 1.388 1408 I CB 0.215 38.227 38.000 0.021 0.000 1.390 1408 I HN 0.078 nan 8.210 nan 0.000 0.600 1409 A N 4.068 126.900 122.820 0.020 0.000 2.587 1409 A HA -0.056 4.252 4.320 -0.020 0.000 0.235 1409 A C 1.166 178.765 177.584 0.025 0.000 1.044 1409 A CA 0.094 52.144 52.037 0.021 0.000 0.754 1409 A CB -0.172 18.838 19.000 0.018 0.000 0.968 1409 A HN 0.875 nan 8.150 nan 0.000 0.509 1410 E N 1.790 122.007 120.200 0.028 0.000 2.401 1410 E HA 0.011 4.349 4.350 -0.020 0.000 0.199 1410 E C 1.667 178.287 176.600 0.034 0.000 1.023 1410 E CA 0.782 57.202 56.400 0.034 0.000 0.859 1410 E CB -0.234 29.488 29.700 0.036 0.000 0.780 1410 E HN 1.183 nan 8.360 nan 0.000 0.523 1411 G N 1.887 110.704 108.800 0.028 0.000 2.601 1411 G HA2 -0.392 3.556 3.960 -0.020 0.000 0.306 1411 G HA3 -0.392 3.556 3.960 -0.020 0.000 0.306 1411 G C 0.736 175.654 174.900 0.030 0.000 1.172 1411 G CA 0.710 45.827 45.100 0.028 0.000 0.966 1411 G HN 0.275 nan 8.290 nan 0.000 0.542 1412 K N 0.711 121.132 120.400 0.035 0.000 2.637 1412 K HA 0.298 4.606 4.320 -0.020 0.000 0.184 1412 K C -0.607 176.017 176.600 0.040 0.000 1.200 1412 K CA 0.622 56.929 56.287 0.033 0.000 1.122 1412 K CB 0.521 33.038 32.500 0.028 0.000 0.926 1412 K HN 0.493 nan 8.250 nan 0.000 0.535 1413 T N 2.692 117.277 114.554 0.052 0.000 2.842 1413 T HA 0.366 4.703 4.350 -0.020 0.000 0.308 1413 T C -2.871 171.875 174.700 0.078 0.000 1.041 1413 T CA -1.526 60.612 62.100 0.063 0.000 0.964 1413 T CB 1.867 70.782 68.868 0.079 0.000 0.972 1413 T HN -0.078 nan 8.240 nan 0.000 0.460 1414 P HA 0.249 nan 4.420 nan 0.000 0.287 1414 P C -0.268 177.087 177.300 0.092 0.000 1.307 1414 P CA -0.591 62.554 63.100 0.074 0.000 0.777 1414 P CB 0.516 32.240 31.700 0.041 0.000 0.883 1415 V N 1.844 121.851 119.914 0.155 0.000 2.387 1415 V HA 0.497 4.605 4.120 -0.020 0.000 0.260 1415 V C 0.630 176.813 176.094 0.148 0.000 1.054 1415 V CA -1.074 61.328 62.300 0.170 0.000 0.967 1415 V CB -0.241 31.765 31.823 0.304 0.000 1.036 1415 V HN 0.520 nan 8.190 nan 0.000 0.481 1416 A N 6.888 129.730 122.820 0.037 0.000 2.354 1416 A HA 0.668 4.976 4.320 -0.020 0.000 0.281 1416 A C -0.343 177.223 177.584 -0.030 0.000 1.174 1416 A CA -0.529 51.481 52.037 -0.045 0.000 0.828 1416 A CB 0.059 19.008 19.000 -0.084 0.000 1.099 1416 A HN 1.239 nan 8.150 nan 0.000 0.516 1417 W N 2.427 123.616 121.300 -0.185 0.000 2.958 1417 W HA 0.795 5.443 4.660 -0.021 0.000 0.339 1417 W C -1.049 175.380 176.519 -0.151 0.000 1.174 1417 W CA -1.125 56.071 57.345 -0.250 0.000 1.064 1417 W CB 1.155 30.412 29.460 -0.338 0.000 1.471 1417 W HN 0.444 nan 8.180 nan 0.000 0.599 1418 K N 1.637 122.186 120.400 0.249 0.000 2.578 1418 K HA 0.301 4.609 4.320 -0.020 0.000 0.250 1418 K C -2.740 174.049 176.600 0.316 0.000 0.955 1418 K CA -1.794 54.579 56.287 0.144 0.000 0.825 1418 K CB 1.997 34.522 32.500 0.041 0.000 1.151 1418 K HN 0.040 nan 8.250 nan 0.000 0.432 1419 P HA -0.082 nan 4.420 nan 0.000 0.260 1419 P C -0.901 176.505 177.300 0.178 0.000 1.185 1419 P CA -0.097 63.170 63.100 0.277 0.000 0.763 1419 P CB 0.329 32.166 31.700 0.229 0.000 0.776 1420 L N 5.539 126.865 121.223 0.171 0.000 2.329 1420 L HA 0.546 4.874 4.340 -0.020 0.000 0.279 1420 L C -0.866 176.116 176.870 0.186 0.000 1.014 1420 L CA -0.787 54.148 54.840 0.159 0.000 0.814 1420 L CB 1.289 43.439 42.059 0.152 0.000 1.257 1420 L HN 0.198 nan 8.230 nan 0.000 0.424 1421 L N 6.287 127.636 121.223 0.211 0.000 2.333 1421 L HA 0.682 5.009 4.340 -0.020 0.000 0.280 1421 L C -0.586 176.466 176.870 0.303 0.000 1.004 1421 L CA -0.188 54.796 54.840 0.240 0.000 0.820 1421 L CB 1.139 43.330 42.059 0.220 0.000 1.247 1421 L HN 0.732 nan 8.230 nan 0.000 0.416 1422 M N 3.263 122.993 119.600 0.216 0.000 2.446 1422 M HA 0.642 5.109 4.480 -0.020 0.000 0.294 1422 M C 0.024 176.404 176.300 0.134 0.000 1.158 1422 M CA -0.740 54.660 55.300 0.167 0.000 0.899 1422 M CB 1.519 34.136 32.600 0.029 0.000 1.687 1422 M HN 0.582 nan 8.290 nan 0.000 0.455 1423 G N 1.171 110.047 108.800 0.127 0.000 2.491 1423 G HA2 0.315 4.263 3.960 -0.020 0.000 0.238 1423 G HA3 0.315 4.263 3.960 -0.020 0.000 0.238 1423 G C 0.717 175.675 174.900 0.096 0.000 1.277 1423 G CA -0.515 44.656 45.100 0.118 0.000 0.851 1423 G HN 0.751 nan 8.290 nan 0.000 0.573 1424 V N 1.836 121.827 119.914 0.129 0.000 2.277 1424 V HA -0.258 3.850 4.120 -0.020 0.000 0.253 1424 V C 3.055 179.155 176.094 0.010 0.000 1.067 1424 V CA 3.118 65.472 62.300 0.090 0.000 1.047 1424 V CB -0.544 31.348 31.823 0.114 0.000 0.649 1424 V HN 0.943 nan 8.190 nan 0.000 0.447 1425 T N -1.631 112.932 114.554 0.014 0.000 2.788 1425 T HA -0.251 4.087 4.350 -0.020 0.000 0.268 1425 T C 1.951 176.607 174.700 -0.073 0.000 1.044 1425 T CA 2.174 64.247 62.100 -0.044 0.000 1.139 1425 T CB -0.230 68.635 68.868 -0.005 0.000 0.867 1425 T HN 0.606 nan 8.240 nan 0.000 0.454 1426 K N 0.038 120.414 120.400 -0.041 0.000 2.243 1426 K HA 0.032 4.339 4.320 -0.020 0.000 0.201 1426 K C 2.570 179.091 176.600 -0.131 0.000 1.051 1426 K CA 1.039 57.283 56.287 -0.073 0.000 0.970 1426 K CB -0.322 32.145 32.500 -0.055 0.000 0.755 1426 K HN 0.307 nan 8.250 nan 0.000 0.465 1427 S N 0.415 116.057 115.700 -0.097 0.000 2.365 1427 S HA -0.187 4.271 4.470 -0.020 0.000 0.225 1427 S C 1.977 176.561 174.600 -0.027 0.000 1.039 1427 S CA 1.591 59.733 58.200 -0.097 0.000 1.033 1427 S CB -0.281 63.000 63.200 0.136 0.000 0.887 1427 S HN 0.442 nan 8.310 nan 0.000 0.447 1428 A N 0.699 123.489 122.820 -0.049 0.000 2.016 1428 A HA 0.219 4.526 4.320 -0.020 0.000 0.217 1428 A C 2.098 179.642 177.584 -0.066 0.000 1.162 1428 A CA 1.106 53.083 52.037 -0.099 0.000 0.662 1428 A CB -0.719 18.050 19.000 -0.384 0.000 0.812 1428 A HN 0.566 nan 8.150 nan 0.000 0.450 1429 L N 0.657 121.831 121.223 -0.082 0.000 2.187 1429 L HA -0.063 4.265 4.340 -0.020 0.000 0.213 1429 L C 1.116 178.065 176.870 0.131 0.000 1.100 1429 L CA 1.923 56.802 54.840 0.065 0.000 0.765 1429 L CB -0.139 41.921 42.059 0.001 0.000 0.904 1429 L HN 0.396 nan 8.230 nan 0.000 0.437 1430 S N -1.556 114.173 115.700 0.047 0.000 2.406 1430 S HA 0.550 5.007 4.470 -0.020 0.000 0.224 1430 S C -0.021 174.671 174.600 0.153 0.000 1.426 1430 S CA -0.119 58.116 58.200 0.059 0.000 1.179 1430 S CB 0.540 63.699 63.200 -0.069 0.000 1.042 1430 S HN 0.371 nan 8.310 nan 0.000 0.479 1431 T N 0.086 114.791 114.554 0.253 0.000 2.858 1431 T HA 0.499 4.837 4.350 -0.020 0.000 0.285 1431 T C 1.137 175.983 174.700 0.244 0.000 1.052 1431 T CA -0.715 61.569 62.100 0.306 0.000 1.009 1431 T CB 1.269 70.315 68.868 0.297 0.000 1.241 1431 T HN 0.485 nan 8.240 nan 0.000 0.542 1432 K N 0.983 121.506 120.400 0.206 0.000 1.975 1432 K HA -0.077 4.231 4.320 -0.020 0.000 0.225 1432 K C 1.354 178.042 176.600 0.146 0.000 1.050 1432 K CA 1.635 58.013 56.287 0.153 0.000 0.992 1432 K CB -1.265 31.295 32.500 0.100 0.000 0.738 1432 K HN 0.547 nan 8.250 nan 0.000 0.446 1433 S N 1.238 116.981 115.700 0.072 0.000 2.515 1433 S HA 0.003 4.461 4.470 -0.020 0.000 0.285 1433 S C 0.905 175.523 174.600 0.031 0.000 1.265 1433 S CA -0.412 57.773 58.200 -0.024 0.000 1.079 1433 S CB 0.024 63.144 63.200 -0.135 0.000 0.877 1433 S HN 0.536 nan 8.310 nan 0.000 0.493 1434 W N 5.930 127.246 121.300 0.026 0.000 2.467 1434 W HA 0.054 4.702 4.660 -0.020 0.000 0.275 1434 W C 1.031 177.527 176.519 -0.037 0.000 1.239 1434 W CA 0.125 57.479 57.345 0.014 0.000 1.266 1434 W CB -0.624 28.846 29.460 0.017 0.000 1.112 1434 W HN 0.563 nan 8.180 nan 0.000 0.576 1435 L N 1.720 122.435 121.223 -0.847 0.000 1.978 1435 L HA -0.301 4.027 4.340 -0.020 0.000 0.218 1435 L C 2.811 179.445 176.870 -0.394 0.000 1.075 1435 L CA 2.749 57.205 54.840 -0.639 0.000 0.767 1435 L CB -1.557 40.096 42.059 -0.677 0.000 0.890 1435 L HN 0.110 nan 8.230 nan 0.000 0.434 1436 S N -0.766 114.726 115.700 -0.347 0.000 2.370 1436 S HA -0.224 4.234 4.470 -0.020 0.000 0.226 1436 S C 2.067 176.085 174.600 -0.971 0.000 1.033 1436 S CA 1.155 59.056 58.200 -0.497 0.000 1.011 1436 S CB -0.611 62.608 63.200 0.031 0.000 0.852 1436 S HN 0.548 nan 8.310 nan 0.000 0.457 1437 A N 1.331 123.972 122.820 -0.297 0.000 2.015 1437 A HA 0.190 4.498 4.320 -0.020 0.000 0.219 1437 A C 2.297 179.786 177.584 -0.158 0.000 1.163 1437 A CA 1.502 53.499 52.037 -0.067 0.000 0.646 1437 A CB -0.857 18.258 19.000 0.190 0.000 0.806 1437 A HN 0.518 nan 8.150 nan 0.000 0.448 1438 A N -0.195 122.536 122.820 -0.148 0.000 1.969 1438 A HA 0.007 4.314 4.320 -0.020 0.000 0.218 1438 A C 2.379 179.852 177.584 -0.184 0.000 1.169 1438 A CA 1.778 53.775 52.037 -0.067 0.000 0.635 1438 A CB -0.678 18.352 19.000 0.049 0.000 0.810 1438 A HN 0.490 nan 8.150 nan 0.000 0.445 1439 S N 0.345 115.784 115.700 -0.435 0.000 2.354 1439 S HA -0.056 4.402 4.470 -0.020 0.000 0.219 1439 S C 0.636 175.074 174.600 -0.270 0.000 1.035 1439 S CA 0.758 58.689 58.200 -0.448 0.000 1.037 1439 S CB -0.827 61.934 63.200 -0.733 0.000 0.956 1439 S HN 0.533 nan 8.310 nan 0.000 0.428 1440 F N 2.784 122.729 119.950 -0.008 0.000 2.553 1440 F HA 0.174 4.689 4.527 -0.021 0.000 0.356 1440 F C 1.862 177.659 175.800 -0.005 0.000 1.142 1440 F CA -0.640 57.354 58.000 -0.010 0.000 1.322 1440 F CB 0.132 39.132 39.000 -0.000 0.000 1.126 1440 F HN 0.117 nan 8.300 nan 0.000 0.599 1441 Q N 2.561 122.453 119.800 0.152 0.000 2.175 1441 Q HA -0.374 3.954 4.340 -0.020 0.000 0.234 1441 Q C -0.004 176.026 176.000 0.050 0.000 1.081 1441 Q CA 2.444 58.289 55.803 0.071 0.000 0.940 1441 Q CB -0.663 28.101 28.738 0.043 0.000 1.032 1441 Q HN 0.719 nan 8.270 nan 0.000 0.478 1442 N N 0.068 118.798 118.700 0.051 0.000 2.394 1442 N HA -0.007 4.721 4.740 -0.020 0.000 0.282 1442 N C -0.283 175.246 175.510 0.032 0.000 1.351 1442 N CA 0.987 54.052 53.050 0.026 0.000 0.936 1442 N CB 0.620 39.114 38.487 0.012 0.000 1.274 1442 N HN 0.445 nan 8.380 nan 0.000 0.489 1443 T N -0.285 114.264 114.554 -0.009 0.000 2.954 1443 T HA 0.052 4.390 4.350 -0.020 0.000 0.252 1443 T C 1.436 176.049 174.700 -0.145 0.000 0.983 1443 T CA 0.344 62.431 62.100 -0.021 0.000 0.941 1443 T CB 0.121 68.991 68.868 0.003 0.000 1.141 1443 T HN 0.430 nan 8.240 nan 0.000 0.500 1444 T N 0.902 115.305 114.554 -0.252 0.000 2.821 1444 T HA -0.094 4.243 4.350 -0.020 0.000 0.267 1444 T C 1.644 176.032 174.700 -0.520 0.000 1.046 1444 T CA 1.247 62.952 62.100 -0.658 0.000 1.139 1444 T CB -0.384 68.148 68.868 -0.560 0.000 0.871 1444 T HN 0.430 nan 8.240 nan 0.000 0.454 1445 H N 0.931 119.831 119.070 -0.284 0.000 2.294 1445 H HA 0.089 4.632 4.556 -0.020 0.000 0.306 1445 H C 2.368 177.635 175.328 -0.102 0.000 1.065 1445 H CA 1.122 57.074 56.048 -0.161 0.000 1.343 1445 H CB -0.518 29.191 29.762 -0.090 0.000 1.396 1445 H HN 0.098 nan 8.280 nan 0.000 0.506 1446 V N 1.375 121.383 119.914 0.158 0.000 2.277 1446 V HA -0.315 3.792 4.120 -0.020 0.000 0.255 1446 V C 2.893 179.012 176.094 0.042 0.000 1.074 1446 V CA 1.953 64.342 62.300 0.149 0.000 1.058 1446 V CB -0.722 31.191 31.823 0.149 0.000 0.656 1446 V HN 0.223 nan 8.190 nan 0.000 0.449 1447 L N -0.838 120.372 121.223 -0.023 0.000 2.023 1447 L HA -0.100 4.228 4.340 -0.020 0.000 0.205 1447 L C 2.569 179.403 176.870 -0.060 0.000 1.073 1447 L CA 2.425 57.238 54.840 -0.045 0.000 0.745 1447 L CB -1.338 40.749 42.059 0.047 0.000 0.900 1447 L HN 0.318 nan 8.230 nan 0.000 0.435 1448 T N -0.499 114.031 114.554 -0.040 0.000 2.564 1448 T HA -0.311 4.027 4.350 -0.020 0.000 0.264 1448 T C 1.762 176.374 174.700 -0.146 0.000 1.100 1448 T CA 2.129 64.288 62.100 0.099 0.000 1.171 1448 T CB -0.239 68.632 68.868 0.004 0.000 0.863 1448 T HN 0.403 nan 8.240 nan 0.000 0.430 1449 E N 0.424 120.462 120.200 -0.270 0.000 2.072 1449 E HA -0.007 4.331 4.350 -0.020 0.000 0.190 1449 E C 2.586 179.055 176.600 -0.218 0.000 0.982 1449 E CA 0.839 57.072 56.400 -0.277 0.000 0.803 1449 E CB -0.224 29.326 29.700 -0.250 0.000 0.755 1449 E HN 0.492 nan 8.360 nan 0.000 0.453 1450 A N 1.551 124.261 122.820 -0.185 0.000 2.024 1450 A HA -0.138 4.170 4.320 -0.020 0.000 0.220 1450 A C 2.266 179.633 177.584 -0.362 0.000 1.164 1450 A CA 1.639 53.525 52.037 -0.252 0.000 0.643 1450 A CB -0.422 18.364 19.000 -0.357 0.000 0.806 1450 A HN 0.290 nan 8.150 nan 0.000 0.451 1451 A N 0.104 122.745 122.820 -0.298 0.000 1.821 1451 A HA 0.021 4.329 4.320 -0.020 0.000 0.215 1451 A C 1.875 179.338 177.584 -0.201 0.000 1.214 1451 A CA 1.491 53.401 52.037 -0.211 0.000 0.608 1451 A CB -0.831 18.150 19.000 -0.031 0.000 0.862 1451 A HN 0.353 nan 8.150 nan 0.000 0.448 1452 I N 0.443 120.840 120.570 -0.288 0.000 2.147 1452 I HA -0.358 3.799 4.170 -0.020 0.000 0.245 1452 I C 2.650 178.538 176.117 -0.382 0.000 1.059 1452 I CA 1.879 62.893 61.300 -0.477 0.000 1.320 1452 I CB -0.511 36.980 38.000 -0.849 0.000 1.021 1452 I HN 0.357 nan 8.210 nan 0.000 0.415 1453 A N -0.221 122.415 122.820 -0.306 0.000 2.235 1453 A HA 0.334 4.642 4.320 -0.020 0.000 0.208 1453 A C 1.779 179.295 177.584 -0.113 0.000 1.172 1453 A CA 0.685 52.605 52.037 -0.195 0.000 0.786 1453 A CB -1.212 17.698 19.000 -0.150 0.000 0.804 1453 A HN 0.739 nan 8.150 nan 0.000 0.479 1454 G N 0.076 108.804 108.800 -0.119 0.000 2.338 1454 G HA2 -0.315 3.633 3.960 -0.020 0.000 0.296 1454 G HA3 -0.315 3.633 3.960 -0.020 0.000 0.296 1454 G C 0.080 174.942 174.900 -0.063 0.000 1.040 1454 G CA 0.695 45.752 45.100 -0.072 0.000 1.004 1454 G HN 0.815 nan 8.290 nan 0.000 0.509 1455 K N 0.208 120.532 120.400 -0.126 0.000 2.416 1455 K HA 0.334 4.642 4.320 -0.020 0.000 0.283 1455 K C 0.643 177.314 176.600 0.119 0.000 1.037 1455 K CA 0.057 56.336 56.287 -0.014 0.000 0.995 1455 K CB 0.275 32.775 32.500 -0.001 0.000 0.938 1455 K HN 0.310 nan 8.250 nan 0.000 0.475 1456 K N 3.507 124.034 120.400 0.211 0.000 2.234 1456 K HA 0.063 4.371 4.320 -0.020 0.000 0.277 1456 K C -0.804 176.003 176.600 0.344 0.000 1.038 1456 K CA -0.647 55.809 56.287 0.282 0.000 0.888 1456 K CB 1.018 33.607 32.500 0.148 0.000 1.091 1456 K HN 0.544 nan 8.250 nan 0.000 0.467 1457 D N 3.918 124.548 120.400 0.384 0.000 2.411 1457 D HA 0.001 4.628 4.640 -0.020 0.000 0.225 1457 D C -0.493 175.773 176.300 -0.057 0.000 1.156 1457 D CA -0.112 53.886 54.000 -0.004 0.000 0.874 1457 D CB 0.679 41.095 40.800 -0.640 0.000 1.034 1457 D HN 0.327 nan 8.370 nan 0.000 0.502 1458 E N 3.380 123.558 120.200 -0.037 0.000 2.299 1458 E HA 0.084 4.421 4.350 -0.020 0.000 0.272 1458 E C 0.074 176.599 176.600 -0.124 0.000 1.043 1458 E CA -0.239 56.124 56.400 -0.061 0.000 0.895 1458 E CB 1.118 30.790 29.700 -0.047 0.000 1.011 1458 E HN 0.496 nan 8.360 nan 0.000 0.432 1459 L N 5.909 127.067 121.223 -0.109 0.000 2.433 1459 L HA 0.251 4.579 4.340 -0.020 0.000 0.284 1459 L C 0.109 176.906 176.870 -0.123 0.000 1.120 1459 L CA 0.082 54.847 54.840 -0.125 0.000 0.879 1459 L CB -0.457 41.542 42.059 -0.099 0.000 1.232 1459 L HN 0.291 nan 8.230 nan 0.000 0.454 1460 I N 1.396 121.865 120.570 -0.168 0.000 2.607 1460 I HA 0.893 5.051 4.170 -0.020 0.000 0.290 1460 I C 0.212 176.235 176.117 -0.158 0.000 1.129 1460 I CA -0.832 60.355 61.300 -0.188 0.000 1.042 1460 I CB 2.057 39.836 38.000 -0.368 0.000 1.242 1460 I HN 0.543 nan 8.210 nan 0.000 0.421 1461 G N 3.952 112.700 108.800 -0.087 0.000 2.674 1461 G HA2 -0.069 3.878 3.960 -0.020 0.000 0.686 1461 G HA3 -0.069 3.878 3.960 -0.020 0.000 0.686 1461 G C -0.215 174.720 174.900 0.059 0.000 1.195 1461 G CA -0.664 44.426 45.100 -0.016 0.000 0.776 1461 G HN 0.666 nan 8.290 nan 0.000 0.654 1462 L N 0.981 122.294 121.223 0.149 0.000 2.102 1462 L HA 0.123 4.451 4.340 -0.020 0.000 0.202 1462 L C 2.915 179.802 176.870 0.029 0.000 1.076 1462 L CA 1.478 56.362 54.840 0.074 0.000 0.761 1462 L CB -0.536 41.563 42.059 0.067 0.000 0.921 1462 L HN 0.739 nan 8.230 nan 0.000 0.444 1463 K N 1.247 121.654 120.400 0.012 0.000 1.991 1463 K HA -0.226 4.082 4.320 -0.020 0.000 0.212 1463 K C 2.084 178.608 176.600 -0.128 0.000 1.049 1463 K CA 2.123 58.312 56.287 -0.162 0.000 0.932 1463 K CB -0.081 32.166 32.500 -0.423 0.000 0.717 1463 K HN 0.457 nan 8.250 nan 0.000 0.441 1464 E N -0.062 120.083 120.200 -0.092 0.000 2.130 1464 E HA -0.263 4.074 4.350 -0.020 0.000 0.196 1464 E C 1.561 178.076 176.600 -0.142 0.000 0.998 1464 E CA 1.655 57.963 56.400 -0.153 0.000 0.806 1464 E CB -0.482 29.126 29.700 -0.154 0.000 0.738 1464 E HN 0.458 nan 8.360 nan 0.000 0.459 1465 N N -0.066 118.578 118.700 -0.094 0.000 2.424 1465 N HA -0.013 4.714 4.740 -0.020 0.000 0.178 1465 N C 1.607 177.068 175.510 -0.081 0.000 1.060 1465 N CA 0.084 53.082 53.050 -0.088 0.000 0.901 1465 N CB 0.451 38.897 38.487 -0.068 0.000 0.979 1465 N HN -0.006 nan 8.380 nan 0.000 0.451 1466 V N 1.239 121.105 119.914 -0.080 0.000 2.488 1466 V HA -0.118 3.989 4.120 -0.020 0.000 0.246 1466 V C 1.971 178.017 176.094 -0.080 0.000 1.046 1466 V CA 0.923 63.178 62.300 -0.074 0.000 1.053 1466 V CB -0.169 31.612 31.823 -0.069 0.000 0.679 1466 V HN 0.270 nan 8.190 nan 0.000 0.458 1467 I N -0.313 120.198 120.570 -0.098 0.000 2.113 1467 I HA -0.343 3.815 4.170 -0.020 0.000 0.242 1467 I C 2.287 178.355 176.117 -0.082 0.000 1.064 1467 I CA 1.906 63.148 61.300 -0.097 0.000 1.320 1467 I CB -0.524 37.402 38.000 -0.123 0.000 1.028 1467 I HN 0.267 nan 8.210 nan 0.000 0.406 1468 L N 1.085 122.255 121.223 -0.088 0.000 2.633 1468 L HA -0.010 4.318 4.340 -0.020 0.000 0.235 1468 L C 1.557 178.389 176.870 -0.064 0.000 1.163 1468 L CA 1.146 55.941 54.840 -0.075 0.000 0.859 1468 L CB -0.537 41.474 42.059 -0.080 0.000 0.973 1468 L HN 0.518 nan 8.230 nan 0.000 0.451 1469 G N -0.160 108.602 108.800 -0.063 0.000 2.166 1469 G HA2 -0.393 3.555 3.960 -0.020 0.000 0.260 1469 G HA3 -0.393 3.555 3.960 -0.020 0.000 0.260 1469 G C 0.694 175.558 174.900 -0.060 0.000 0.986 1469 G CA 0.656 45.723 45.100 -0.056 0.000 0.683 1469 G HN 0.451 nan 8.290 nan 0.000 0.527 1470 R N -0.801 119.660 120.500 -0.065 0.000 2.649 1470 R HA 0.592 4.920 4.340 -0.020 0.000 0.270 1470 R C 0.847 177.101 176.300 -0.076 0.000 1.105 1470 R CA -0.839 55.221 56.100 -0.067 0.000 1.193 1470 R CB 0.171 30.432 30.300 -0.065 0.000 1.120 1470 R HN 0.207 nan 8.270 nan 0.000 0.561 1471 L N 2.229 123.400 121.223 -0.088 0.000 2.483 1471 L HA 0.094 4.422 4.340 -0.020 0.000 0.275 1471 L C -0.196 176.622 176.870 -0.086 0.000 1.220 1471 L CA 0.361 55.138 54.840 -0.105 0.000 0.833 1471 L CB 0.452 42.429 42.059 -0.137 0.000 1.102 1471 L HN 0.440 nan 8.230 nan 0.000 0.490 1472 I N 5.366 125.886 120.570 -0.082 0.000 2.529 1472 I HA 0.096 4.253 4.170 -0.020 0.000 0.284 1472 I C -1.390 174.696 176.117 -0.051 0.000 1.082 1472 I CA -1.674 59.592 61.300 -0.058 0.000 1.406 1472 I CB 0.603 38.574 38.000 -0.047 0.000 1.405 1472 I HN 0.559 nan 8.210 nan 0.000 0.548 1473 P HA -0.051 nan 4.420 nan 0.000 0.220 1473 P C -0.105 177.189 177.300 -0.010 0.000 1.148 1473 P CA 0.956 64.041 63.100 -0.025 0.000 0.803 1473 P CB 0.435 32.119 31.700 -0.027 0.000 0.782 1474 A N -1.357 121.457 122.820 -0.010 0.000 2.340 1474 A HA 0.704 5.011 4.320 -0.020 0.000 0.331 1474 A C 0.741 178.320 177.584 -0.009 0.000 1.140 1474 A CA 0.044 52.080 52.037 -0.001 0.000 0.801 1474 A CB 0.941 19.943 19.000 0.003 0.000 1.234 1474 A HN 0.286 nan 8.150 nan 0.000 0.469 1475 G N 0.411 109.210 108.800 -0.001 0.000 2.893 1475 G HA2 -0.150 3.798 3.960 -0.020 0.000 0.222 1475 G HA3 -0.150 3.798 3.960 -0.020 0.000 0.222 1475 G C 0.819 175.726 174.900 0.012 0.000 1.345 1475 G CA 0.495 45.595 45.100 -0.001 0.000 1.129 1475 G HN 1.166 nan 8.290 nan 0.000 0.560 1476 T N 1.693 116.245 114.554 -0.004 0.000 3.067 1476 T HA 0.291 4.629 4.350 -0.020 0.000 0.261 1476 T C 2.112 176.781 174.700 -0.053 0.000 1.110 1476 T CA 1.698 63.802 62.100 0.006 0.000 1.113 1476 T CB -0.117 68.766 68.868 0.026 0.000 0.917 1476 T HN 1.318 nan 8.240 nan 0.000 0.499 1477 G N 2.080 110.834 108.800 -0.075 0.000 2.882 1477 G HA2 0.035 3.983 3.960 -0.020 0.000 0.206 1477 G HA3 0.035 3.983 3.960 -0.020 0.000 0.206 1477 G C 0.684 175.552 174.900 -0.052 0.000 1.155 1477 G CA 0.029 45.069 45.100 -0.100 0.000 0.800 1477 G HN 0.546 nan 8.290 nan 0.000 0.524 1478 S N -0.062 115.637 115.700 -0.002 0.000 2.537 1478 S HA 0.055 4.513 4.470 -0.020 0.000 0.286 1478 S C 0.831 175.480 174.600 0.082 0.000 1.299 1478 S CA -0.152 58.089 58.200 0.068 0.000 1.067 1478 S CB 1.015 64.300 63.200 0.141 0.000 0.864 1478 S HN 0.134 nan 8.310 nan 0.000 0.494 1479 D N 2.357 122.840 120.400 0.139 0.000 2.310 1479 D HA 0.000 4.628 4.640 -0.020 0.000 0.212 1479 D C 1.045 177.520 176.300 0.290 0.000 0.965 1479 D CA 0.644 54.776 54.000 0.221 0.000 0.879 1479 D CB -0.303 40.644 40.800 0.245 0.000 0.921 1479 D HN 0.698 nan 8.370 nan 0.000 0.510 1480 F N 0.492 120.506 119.950 0.107 0.000 2.234 1480 F HA -0.118 4.397 4.527 -0.021 0.000 0.299 1480 F C 1.554 177.417 175.800 0.105 0.000 1.087 1480 F CA 1.021 59.081 58.000 0.100 0.000 1.340 1480 F CB 0.334 39.370 39.000 0.059 0.000 1.031 1480 F HN -0.140 nan 8.300 nan 0.000 0.500 1481 V N -1.061 118.860 119.914 0.012 0.000 3.502 1481 V HA 0.165 4.273 4.120 -0.020 0.000 0.288 1481 V C 1.989 178.029 176.094 -0.089 0.000 1.461 1481 V CA -0.083 62.158 62.300 -0.097 0.000 1.029 1481 V CB -0.183 31.642 31.823 0.003 0.000 0.843 1481 V HN 0.074 nan 8.190 nan 0.000 0.438 1482 R N 0.927 121.316 120.500 -0.184 0.000 2.133 1482 R HA -0.153 4.175 4.340 -0.020 0.000 0.245 1482 R C 0.167 176.149 176.300 -0.530 0.000 1.137 1482 R CA 1.826 57.631 56.100 -0.491 0.000 0.947 1482 R CB -0.194 29.494 30.300 -1.019 0.000 0.865 1482 R HN 0.497 nan 8.270 nan 0.000 0.437 1483 F N 0.633 120.566 119.950 -0.027 0.000 2.375 1483 F HA 0.292 4.807 4.527 -0.020 0.000 0.362 1483 F C 0.025 175.789 175.800 -0.060 0.000 1.129 1483 F CA -0.238 57.743 58.000 -0.032 0.000 1.154 1483 F CB 1.458 40.436 39.000 -0.036 0.000 1.205 1483 F HN -0.195 nan 8.300 nan 0.000 0.513 1484 T N 2.509 117.115 114.554 0.086 0.000 2.843 1484 T HA 0.593 4.931 4.350 -0.020 0.000 0.302 1484 T C -1.018 173.701 174.700 0.032 0.000 1.232 1484 T CA -1.220 60.898 62.100 0.028 0.000 1.009 1484 T CB 2.492 71.351 68.868 -0.016 0.000 1.254 1484 T HN 0.497 nan 8.240 nan 0.000 0.504 1485 Q N 0.141 119.948 119.800 0.012 0.000 2.456 1485 Q HA 0.805 5.133 4.340 -0.020 0.000 0.284 1485 Q C -1.695 174.302 176.000 -0.004 0.000 1.061 1485 Q CA -1.203 54.607 55.803 0.012 0.000 0.799 1485 Q CB 2.690 31.440 28.738 0.021 0.000 1.445 1485 Q HN 0.407 nan 8.270 nan 0.000 0.411 1486 V N 0.781 120.691 119.914 -0.006 0.000 2.709 1486 V HA 0.696 4.803 4.120 -0.020 0.000 0.308 1486 V C -0.722 175.367 176.094 -0.008 0.000 1.062 1486 V CA -0.720 61.572 62.300 -0.013 0.000 0.901 1486 V CB 1.926 33.734 31.823 -0.025 0.000 1.003 1486 V HN 0.610 nan 8.190 nan 0.000 0.425 1487 V N 2.586 122.496 119.914 -0.007 0.000 2.888 1487 V HA 0.455 4.563 4.120 -0.020 0.000 0.309 1487 V C -1.172 174.919 176.094 -0.005 0.000 1.114 1487 V CA -0.825 61.472 62.300 -0.004 0.000 0.940 1487 V CB 2.517 34.339 31.823 -0.001 0.000 1.021 1487 V HN 0.958 nan 8.190 nan 0.000 0.426 1488 D N 3.360 123.758 120.400 -0.004 0.000 2.255 1488 D HA 0.184 4.812 4.640 -0.020 0.000 0.249 1488 D C 0.620 176.919 176.300 -0.002 0.000 1.078 1488 D CA -0.569 53.429 54.000 -0.003 0.000 0.896 1488 D CB 1.584 42.383 40.800 -0.003 0.000 1.194 1488 D HN 0.360 nan 8.370 nan 0.000 0.429 1489 Q N 1.337 121.136 119.800 -0.002 0.000 2.248 1489 Q HA -0.184 4.143 4.340 -0.020 0.000 0.208 1489 Q C 1.570 177.570 176.000 -0.000 0.000 0.984 1489 Q CA 1.371 57.173 55.803 -0.001 0.000 0.875 1489 Q CB -0.150 28.587 28.738 -0.001 0.000 0.910 1489 Q HN 0.527 nan 8.270 nan 0.000 0.433 1490 K N -0.481 119.919 120.400 0.000 0.000 2.097 1490 K HA -0.059 4.249 4.320 -0.020 0.000 0.206 1490 K C 1.859 178.459 176.600 0.001 0.000 1.049 1490 K CA 1.579 57.866 56.287 0.001 0.000 0.933 1490 K CB -0.016 32.484 32.500 0.001 0.000 0.717 1490 K HN 0.151 nan 8.250 nan 0.000 0.442 1491 T N 1.051 115.605 114.554 0.001 0.000 3.100 1491 T HA 0.052 4.390 4.350 -0.020 0.000 0.253 1491 T C 1.595 176.296 174.700 0.002 0.000 1.118 1491 T CA 0.138 62.240 62.100 0.002 0.000 1.058 1491 T CB 0.080 68.950 68.868 0.002 0.000 0.953 1491 T HN 0.045 nan 8.240 nan 0.000 0.515 1492 L N 1.179 122.402 121.223 0.001 0.000 2.044 1492 L HA 0.076 4.404 4.340 -0.020 0.000 0.205 1492 L C 2.281 179.152 176.870 0.001 0.000 1.075 1492 L CA 1.663 56.503 54.840 0.001 0.000 0.747 1492 L CB -0.177 41.882 42.059 0.000 0.000 0.903 1492 L HN 0.011 nan 8.230 nan 0.000 0.435 1493 K N -0.487 119.914 120.400 0.001 0.000 2.097 1493 K HA -0.072 4.236 4.320 -0.020 0.000 0.205 1493 K C 2.078 178.679 176.600 0.002 0.000 1.050 1493 K CA 1.129 57.417 56.287 0.002 0.000 0.938 1493 K CB -0.349 32.152 32.500 0.002 0.000 0.718 1493 K HN 0.433 nan 8.250 nan 0.000 0.442 1494 A N 1.388 124.210 122.820 0.002 0.000 1.902 1494 A HA -0.153 4.155 4.320 -0.020 0.000 0.217 1494 A C 2.072 179.658 177.584 0.003 0.000 1.181 1494 A CA 1.350 53.388 52.037 0.003 0.000 0.623 1494 A CB -0.417 18.585 19.000 0.003 0.000 0.818 1494 A HN 0.117 nan 8.150 nan 0.000 0.443 1495 I N -0.309 120.263 120.570 0.003 0.000 2.394 1495 I HA -0.144 4.014 4.170 -0.020 0.000 0.251 1495 I C 2.104 178.222 176.117 0.003 0.000 1.136 1495 I CA 1.468 62.770 61.300 0.003 0.000 1.425 1495 I CB -0.271 37.731 38.000 0.003 0.000 1.079 1495 I HN 0.383 nan 8.210 nan 0.000 0.425 1496 E N -0.471 119.730 120.200 0.002 0.000 2.474 1496 E HA -0.046 4.292 4.350 -0.020 0.000 0.194 1496 E C 1.771 178.372 176.600 0.002 0.000 1.041 1496 E CA 0.041 56.443 56.400 0.002 0.000 0.874 1496 E CB 0.155 29.856 29.700 0.002 0.000 0.914 1496 E HN 0.431 nan 8.360 nan 0.000 0.498 1497 E N 0.001 120.202 120.200 0.002 0.000 2.274 1497 E HA -0.111 4.227 4.350 -0.020 0.000 0.194 1497 E C 1.817 178.419 176.600 0.003 0.000 0.996 1497 E CA 0.609 57.011 56.400 0.002 0.000 0.840 1497 E CB 0.112 29.813 29.700 0.003 0.000 0.772 1497 E HN 0.220 nan 8.360 nan 0.000 0.491 1498 A N 1.196 124.018 122.820 0.003 0.000 1.929 1498 A HA -0.135 4.173 4.320 -0.020 0.000 0.216 1498 A C 2.049 179.635 177.584 0.003 0.000 1.176 1498 A CA 1.038 53.077 52.037 0.003 0.000 0.628 1498 A CB -0.232 18.770 19.000 0.003 0.000 0.816 1498 A HN 0.053 nan 8.150 nan 0.000 0.444 1499 R N -0.028 120.474 120.500 0.002 0.000 2.090 1499 R HA -0.048 4.280 4.340 -0.020 0.000 0.228 1499 R C 1.891 178.192 176.300 0.002 0.000 1.110 1499 R CA 1.438 57.539 56.100 0.002 0.000 0.973 1499 R CB -0.189 30.112 30.300 0.002 0.000 0.869 1499 R HN 0.466 nan 8.270 nan 0.000 0.440 1500 K N 0.366 120.768 120.400 0.002 0.000 2.097 1500 K HA -0.184 4.124 4.320 -0.020 0.000 0.206 1500 K C 1.897 178.498 176.600 0.002 0.000 1.049 1500 K CA 1.592 57.880 56.287 0.002 0.000 0.933 1500 K CB -0.068 32.434 32.500 0.002 0.000 0.717 1500 K HN 0.288 nan 8.250 nan 0.000 0.442 1501 E N 0.635 120.836 120.200 0.002 0.000 2.268 1501 E HA -0.133 4.205 4.350 -0.020 0.000 0.195 1501 E C 1.697 178.298 176.600 0.002 0.000 0.995 1501 E CA 0.570 56.971 56.400 0.002 0.000 0.836 1501 E CB 0.043 29.745 29.700 0.003 0.000 0.763 1501 E HN 0.330 nan 8.360 nan 0.000 0.491 1502 A N 0.553 123.374 122.820 0.002 0.000 2.070 1502 A HA -0.057 4.251 4.320 -0.020 0.000 0.220 1502 A C 1.127 178.712 177.584 0.002 0.000 1.159 1502 A CA 0.469 52.507 52.037 0.002 0.000 0.656 1502 A CB -0.198 18.804 19.000 0.002 0.000 0.800 1502 A HN 0.100 nan 8.150 nan 0.000 0.453 1503 V N 2.534 122.449 119.914 0.002 0.000 2.425 1503 V HA 0.010 4.117 4.120 -0.020 0.000 0.276 1503 V C 0.185 176.280 176.094 0.002 0.000 1.017 1503 V CA -0.034 62.267 62.300 0.002 0.000 1.062 1503 V CB -0.145 31.679 31.823 0.002 0.000 0.997 1503 V HN 0.447 nan 8.190 nan 0.000 0.476 1504 E N 4.112 124.314 120.200 0.002 0.000 2.313 1504 E HA 0.559 4.896 4.350 -0.020 0.000 0.276 1504 E C 0.689 177.290 176.600 0.002 0.000 1.031 1504 E CA 0.365 56.766 56.400 0.002 0.000 0.857 1504 E CB 1.523 31.224 29.700 0.002 0.000 1.040 1504 E HN 0.951 nan 8.360 nan 0.000 0.408 1505 A N 0.000 122.821 122.820 0.002 0.000 2.254 1505 A HA 0.000 4.308 4.320 -0.020 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