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 2ppb_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 HTXXXXXXXD 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 0.019 0.000 0.838 2 K CB 0.000 32.511 32.500 0.018 0.000 1.064 3 K N 1.189 121.601 120.400 0.020 0.000 2.286 3 K HA 0.049 4.368 4.320 -0.001 0.000 0.256 3 K C -0.327 176.284 176.600 0.018 0.000 0.999 3 K CA -0.053 56.246 56.287 0.021 0.000 0.908 3 K CB 0.512 33.024 32.500 0.020 0.000 0.981 3 K HN 0.021 nan 8.250 nan 0.000 0.500 4 E N 1.026 121.237 120.200 0.019 0.000 2.259 4 E HA 0.067 4.416 4.350 -0.001 0.000 0.281 4 E C -0.909 175.698 176.600 0.012 0.000 1.027 4 E CA -0.465 55.944 56.400 0.015 0.000 0.838 4 E CB 1.002 30.713 29.700 0.019 0.000 1.066 4 E HN 0.343 nan 8.360 nan 0.000 0.401 5 V N 3.949 123.868 119.914 0.009 0.000 2.381 5 V HA 0.206 4.326 4.120 -0.001 0.000 0.257 5 V C 1.072 177.167 176.094 0.002 0.000 1.057 5 V CA -0.008 62.297 62.300 0.009 0.000 1.013 5 V CB 0.715 32.543 31.823 0.008 0.000 1.069 5 V HN 0.704 nan 8.190 nan 0.000 0.484 6 R N 2.595 123.097 120.500 0.004 0.000 2.254 6 R HA 0.269 4.608 4.340 -0.001 0.000 0.193 6 R C 0.117 176.411 176.300 -0.010 0.000 0.929 6 R CA 0.367 56.462 56.100 -0.007 0.000 1.038 6 R CB 0.512 30.808 30.300 -0.006 0.000 1.009 6 R HN 0.757 nan 8.270 nan 0.000 0.512 7 K N 0.324 120.731 120.400 0.013 0.000 2.513 7 K HA 0.361 4.681 4.320 -0.001 0.000 0.251 7 K C -1.279 175.370 176.600 0.081 0.000 0.939 7 K CA -0.816 55.489 56.287 0.030 0.000 0.793 7 K CB 3.038 35.564 32.500 0.043 0.000 1.241 7 K HN -0.219 nan 8.250 nan 0.000 0.431 8 V N 1.337 121.325 119.914 0.124 0.000 2.850 8 V HA 0.614 4.733 4.120 -0.001 0.000 0.315 8 V C -0.267 176.164 176.094 0.561 0.000 1.064 8 V CA -0.999 61.470 62.300 0.281 0.000 0.979 8 V CB 1.637 33.625 31.823 0.275 0.000 1.039 8 V HN 0.851 nan 8.190 nan 0.000 0.452 9 R N 2.241 123.013 120.500 0.453 0.000 2.508 9 R HA 0.556 4.895 4.340 -0.001 0.000 0.283 9 R C -1.887 174.339 176.300 -0.125 0.000 1.120 9 R CA -0.565 55.661 56.100 0.210 0.000 0.958 9 R CB 1.418 31.807 30.300 0.149 0.000 1.215 9 R HN 0.771 nan 8.270 nan 0.000 0.427 10 I N 3.752 123.947 120.570 -0.625 0.000 2.365 10 I HA 0.569 4.738 4.170 -0.001 0.000 0.291 10 I C 0.096 176.089 176.117 -0.206 0.000 1.004 10 I CA -0.511 60.511 61.300 -0.463 0.000 1.311 10 I CB 1.714 39.269 38.000 -0.743 0.000 1.401 10 I HN 0.730 nan 8.210 nan 0.000 0.491 11 A N 6.051 128.853 122.820 -0.030 0.000 2.539 11 A HA 0.724 5.043 4.320 -0.001 0.000 0.296 11 A C -0.823 176.880 177.584 0.199 0.000 1.073 11 A CA -0.622 51.469 52.037 0.089 0.000 0.700 11 A CB 1.256 20.327 19.000 0.119 0.000 1.296 11 A HN 0.572 nan 8.150 nan 0.000 0.405 12 L N 0.872 122.272 121.223 0.294 0.000 2.479 12 L HA 0.401 4.740 4.340 -0.001 0.000 0.270 12 L C 0.974 178.054 176.870 0.350 0.000 1.236 12 L CA 0.843 55.920 54.840 0.395 0.000 0.823 12 L CB 0.667 43.030 42.059 0.507 0.000 1.098 12 L HN 0.865 nan 8.230 nan 0.000 0.500 13 A N 1.286 124.272 122.820 0.276 0.000 2.260 13 A HA 0.537 4.856 4.320 -0.001 0.000 0.314 13 A C -0.158 177.136 177.584 -0.484 0.000 1.257 13 A CA -0.387 51.665 52.037 0.025 0.000 0.871 13 A CB 0.412 19.455 19.000 0.072 0.000 1.166 13 A HN 0.656 nan 8.150 nan 0.000 0.522 14 S N 3.237 118.409 115.700 -0.878 0.000 2.523 14 S HA 0.365 4.834 4.470 -0.001 0.000 0.275 14 S C -2.007 171.938 174.600 -1.091 0.000 1.281 14 S CA -0.972 56.160 58.200 -1.780 0.000 1.050 14 S CB 1.004 63.469 63.200 -1.226 0.000 0.937 14 S HN 0.409 nan 8.310 nan 0.000 0.492 15 P HA -0.243 nan 4.420 nan 0.000 0.218 15 P C 1.307 178.293 177.300 -0.524 0.000 1.152 15 P CA 1.924 64.689 63.100 -0.558 0.000 0.857 15 P CB -0.032 31.447 31.700 -0.367 0.000 0.787 16 E N -0.309 119.569 120.200 -0.536 0.000 2.106 16 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 16 E C 1.947 178.254 176.600 -0.488 0.000 0.984 16 E CA 1.083 57.234 56.400 -0.415 0.000 0.806 16 E CB -0.680 28.838 29.700 -0.304 0.000 0.750 16 E HN 0.142 nan 8.360 nan 0.000 0.458 17 K N 0.382 120.434 120.400 -0.580 0.000 2.097 17 K HA -0.065 4.254 4.320 -0.001 0.000 0.205 17 K C 2.029 177.864 176.600 -1.276 0.000 1.050 17 K CA 1.055 56.932 56.287 -0.685 0.000 0.938 17 K CB 0.005 32.230 32.500 -0.458 0.000 0.718 17 K HN 0.141 nan 8.250 nan 0.000 0.442 18 I N 1.427 121.291 120.570 -1.176 0.000 2.151 18 I HA -0.334 3.836 4.170 -0.001 0.000 0.243 18 I C 2.056 177.632 176.117 -0.901 0.000 1.080 18 I CA 1.705 62.293 61.300 -1.187 0.000 1.339 18 I CB -1.091 36.534 38.000 -0.625 0.000 1.039 18 I HN 0.248 nan 8.210 nan 0.000 0.409 19 R N 0.247 120.256 120.500 -0.818 0.000 2.090 19 R HA -0.064 4.275 4.340 -0.001 0.000 0.228 19 R C 2.502 178.456 176.300 -0.577 0.000 1.110 19 R CA 1.352 56.898 56.100 -0.923 0.000 0.973 19 R CB -0.525 29.353 30.300 -0.704 0.000 0.869 19 R HN 0.250 nan 8.270 nan 0.000 0.440 20 S N 0.306 115.712 115.700 -0.490 0.000 2.368 20 S HA -0.109 4.361 4.470 -0.001 0.000 0.225 20 S C 1.445 175.985 174.600 -0.100 0.000 1.030 20 S CA 0.980 59.011 58.200 -0.281 0.000 0.999 20 S CB -0.108 62.965 63.200 -0.212 0.000 0.844 20 S HN 0.457 nan 8.310 nan 0.000 0.459 21 W N 1.757 123.000 121.300 -0.096 0.000 2.595 21 W HA 0.357 5.016 4.660 -0.001 0.000 0.257 21 W C 1.374 177.958 176.519 0.109 0.000 1.267 21 W CA -0.151 57.208 57.345 0.022 0.000 1.300 21 W CB -1.894 27.588 29.460 0.037 0.000 1.120 21 W HN 0.281 nan 8.180 nan 0.000 0.618 22 S N 0.666 116.428 115.700 0.104 0.000 2.549 22 S HA 0.198 4.668 4.470 -0.001 0.000 0.279 22 S C -1.078 173.567 174.600 0.075 0.000 1.321 22 S CA -0.113 58.153 58.200 0.109 0.000 1.054 22 S CB 0.316 63.419 63.200 -0.161 0.000 0.899 22 S HN 0.045 nan 8.310 nan 0.000 0.497 23 Y N 3.230 123.490 120.300 -0.068 0.000 2.388 23 Y HA 0.560 5.110 4.550 -0.001 0.000 0.328 23 Y C 0.950 176.716 175.900 -0.223 0.000 0.963 23 Y CA 0.102 58.125 58.100 -0.128 0.000 1.240 23 Y CB 1.168 39.543 38.460 -0.141 0.000 1.118 23 Y HN 1.217 nan 8.280 nan 0.000 0.484 24 G N 2.495 111.276 108.800 -0.031 0.000 2.880 24 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.617 24 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.617 24 G C -0.856 173.998 174.900 -0.077 0.000 1.493 24 G CA -0.708 44.335 45.100 -0.095 0.000 0.916 24 G HN 0.538 nan 8.290 nan 0.000 0.553 25 E N -0.559 119.573 120.200 -0.114 0.000 2.241 25 E HA 0.425 4.774 4.350 -0.001 0.000 0.263 25 E C 0.035 176.553 176.600 -0.137 0.000 0.882 25 E CA -0.700 55.590 56.400 -0.185 0.000 0.769 25 E CB 1.768 31.299 29.700 -0.282 0.000 1.185 25 E HN 0.569 nan 8.360 nan 0.000 0.415 26 V N 4.986 124.846 119.914 -0.091 0.000 2.390 26 V HA 0.034 4.154 4.120 -0.001 0.000 0.260 26 V C 1.024 177.085 176.094 -0.055 0.000 1.043 26 V CA 0.579 62.869 62.300 -0.016 0.000 1.047 26 V CB 0.086 31.928 31.823 0.032 0.000 1.066 26 V HN 0.637 nan 8.190 nan 0.000 0.481 27 E N 2.754 122.930 120.200 -0.040 0.000 2.481 27 E HA 0.205 4.554 4.350 -0.001 0.000 0.198 27 E C 0.201 176.793 176.600 -0.013 0.000 1.027 27 E CA -0.132 56.242 56.400 -0.043 0.000 0.900 27 E CB 0.758 30.429 29.700 -0.049 0.000 0.993 27 E HN 0.495 nan 8.360 nan 0.000 0.482 28 K N 1.124 121.529 120.400 0.009 0.000 2.542 28 K HA 0.198 4.517 4.320 -0.001 0.000 0.259 28 K C -2.741 173.885 176.600 0.043 0.000 0.932 28 K CA -2.185 54.116 56.287 0.023 0.000 0.820 28 K CB 1.800 34.316 32.500 0.026 0.000 1.345 28 K HN -0.285 nan 8.250 nan 0.000 0.432 29 P HA 0.057 nan 4.420 nan 0.000 0.231 29 P C -0.959 176.384 177.300 0.072 0.000 1.756 29 P CA 0.125 63.262 63.100 0.062 0.000 0.990 29 P CB 0.264 31.995 31.700 0.052 0.000 1.973 30 E N 0.944 121.199 120.200 0.092 0.000 2.256 30 E HA 0.133 4.482 4.350 -0.001 0.000 0.243 30 E C 0.947 177.634 176.600 0.147 0.000 0.925 30 E CA -0.150 56.305 56.400 0.092 0.000 0.748 30 E CB 1.285 31.030 29.700 0.075 0.000 1.206 30 E HN 0.208 nan 8.360 nan 0.000 0.428 31 T N 1.635 116.269 114.554 0.133 0.000 2.472 31 T HA -0.007 4.343 4.350 -0.001 0.000 0.249 31 T C 1.134 175.795 174.700 -0.064 0.000 1.205 31 T CA 0.786 62.962 62.100 0.127 0.000 1.268 31 T CB 0.146 69.032 68.868 0.030 0.000 0.872 31 T HN 0.370 nan 8.240 nan 0.000 0.393 32 I N 1.050 121.544 120.570 -0.127 0.000 2.649 32 I HA 0.276 4.446 4.170 -0.001 0.000 0.289 32 I C -1.595 174.475 176.117 -0.078 0.000 1.222 32 I CA -0.829 60.390 61.300 -0.134 0.000 1.046 32 I CB 2.335 40.192 38.000 -0.238 0.000 1.272 32 I HN 0.095 nan 8.210 nan 0.000 0.425 33 N N 5.161 123.853 118.700 -0.013 0.000 2.420 33 N HA 0.198 4.937 4.740 -0.001 0.000 0.249 33 N C 0.917 176.485 175.510 0.096 0.000 1.033 33 N CA -0.375 52.718 53.050 0.073 0.000 0.944 33 N CB 0.448 38.990 38.487 0.092 0.000 1.113 33 N HN 0.577 nan 8.380 nan 0.000 0.502 34 Y N 3.340 123.525 120.300 -0.191 0.000 2.064 34 Y HA -0.477 4.072 4.550 -0.001 0.000 0.262 34 Y C 2.034 177.853 175.900 -0.136 0.000 1.243 34 Y CA 1.735 59.694 58.100 -0.234 0.000 1.096 34 Y CB -0.479 37.850 38.460 -0.218 0.000 0.915 34 Y HN 0.485 nan 8.280 nan 0.000 0.505 35 R N 1.234 121.244 120.500 -0.818 0.000 2.159 35 R HA -0.146 4.194 4.340 -0.001 0.000 0.252 35 R C 0.218 176.361 176.300 -0.263 0.000 1.144 35 R CA 1.943 57.664 56.100 -0.632 0.000 0.961 35 R CB -1.684 28.293 30.300 -0.538 0.000 0.877 35 R HN 0.501 nan 8.270 nan 0.000 0.444 36 T N -0.798 113.660 114.554 -0.160 0.000 2.864 36 T HA 0.448 4.797 4.350 -0.001 0.000 0.299 36 T C 0.518 175.199 174.700 -0.032 0.000 1.011 36 T CA -0.848 61.209 62.100 -0.070 0.000 0.975 36 T CB 1.713 70.553 68.868 -0.047 0.000 0.962 36 T HN 0.132 nan 8.240 nan 0.000 0.448 37 L N 1.155 122.383 121.223 0.009 0.000 2.834 37 L HA 0.063 4.402 4.340 -0.001 0.000 0.252 37 L C 1.091 177.983 176.870 0.038 0.000 1.152 37 L CA 0.520 55.397 54.840 0.063 0.000 0.898 37 L CB -0.947 41.223 42.059 0.185 0.000 1.078 37 L HN 0.503 nan 8.230 nan 0.000 0.439 38 K N 0.580 120.989 120.400 0.015 0.000 2.118 38 K HA 0.327 4.646 4.320 -0.001 0.000 0.264 38 K C -2.187 174.424 176.600 0.019 0.000 1.000 38 K CA -1.971 54.330 56.287 0.023 0.000 0.929 38 K CB 0.669 33.185 32.500 0.027 0.000 1.021 38 K HN -0.212 nan 8.250 nan 0.000 0.463 39 P HA -0.107 nan 4.420 nan 0.000 0.264 39 P C -0.023 177.322 177.300 0.074 0.000 1.183 39 P CA 0.360 63.514 63.100 0.089 0.000 0.763 39 P CB 0.699 32.506 31.700 0.179 0.000 0.807 40 E N 4.450 124.693 120.200 0.072 0.000 1.983 40 E HA -0.135 4.215 4.350 -0.001 0.000 0.202 40 E C 1.052 177.694 176.600 0.070 0.000 0.944 40 E CA 1.498 57.934 56.400 0.061 0.000 0.903 40 E CB -0.137 29.596 29.700 0.056 0.000 0.843 40 E HN 0.436 nan 8.360 nan 0.000 0.542 41 R N -0.592 119.953 120.500 0.075 0.000 2.641 41 R HA 0.405 4.744 4.340 -0.001 0.000 0.197 41 R C 1.529 177.880 176.300 0.083 0.000 1.408 41 R CA 0.342 56.481 56.100 0.066 0.000 1.040 41 R CB -1.038 29.292 30.300 0.049 0.000 2.279 41 R HN 0.093 nan 8.270 nan 0.000 0.520 42 D N -0.149 120.289 120.400 0.064 0.000 2.221 42 D HA 0.012 4.651 4.640 -0.001 0.000 0.204 42 D C 0.881 177.246 176.300 0.109 0.000 0.982 42 D CA 1.978 56.016 54.000 0.064 0.000 0.857 42 D CB -0.616 40.201 40.800 0.028 0.000 0.934 42 D HN 0.605 nan 8.370 nan 0.000 0.475 43 G N 0.101 108.969 108.800 0.112 0.000 3.046 43 G HA2 -0.296 3.663 3.960 -0.001 0.000 1.025 43 G HA3 -0.296 3.663 3.960 -0.001 0.000 1.025 43 G C 1.034 176.051 174.900 0.194 0.000 1.325 43 G CA 0.056 45.240 45.100 0.141 0.000 1.250 43 G HN 0.316 nan 8.290 nan 0.000 0.737 44 L N -1.584 119.734 121.223 0.159 0.000 2.191 44 L HA 0.034 4.373 4.340 -0.001 0.000 0.212 44 L C 2.120 178.824 176.870 -0.276 0.000 1.103 44 L CA 1.106 55.906 54.840 -0.067 0.000 0.769 44 L CB -0.215 41.758 42.059 -0.143 0.000 0.908 44 L HN 0.435 nan 8.230 nan 0.000 0.438 45 F N -1.460 118.506 119.950 0.026 0.000 2.661 45 F HA 0.136 4.663 4.527 -0.001 0.000 0.306 45 F C 0.880 176.778 175.800 0.163 0.000 1.094 45 F CA -1.119 56.890 58.000 0.015 0.000 1.254 45 F CB 0.058 39.062 39.000 0.006 0.000 1.040 45 F HN -0.046 nan 8.300 nan 0.000 0.562 46 D N 1.012 121.642 120.400 0.384 0.000 2.478 46 D HA -0.093 4.547 4.640 -0.001 0.000 0.234 46 D C 1.095 177.575 176.300 0.299 0.000 1.154 46 D CA 0.624 54.792 54.000 0.280 0.000 0.874 46 D CB 0.939 41.852 40.800 0.188 0.000 1.198 46 D HN 0.255 nan 8.370 nan 0.000 0.455 47 E N 1.267 121.579 120.200 0.186 0.000 2.299 47 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 47 E C 1.771 178.426 176.600 0.092 0.000 0.998 47 E CA 0.229 56.719 56.400 0.150 0.000 0.851 47 E CB 0.148 29.912 29.700 0.107 0.000 0.795 47 E HN 0.458 nan 8.360 nan 0.000 0.492 48 R N 0.929 121.461 120.500 0.054 0.000 2.057 48 R HA -0.071 4.269 4.340 -0.001 0.000 0.229 48 R C 2.054 178.319 176.300 -0.057 0.000 1.136 48 R CA 1.244 57.350 56.100 0.010 0.000 0.952 48 R CB -0.249 30.052 30.300 0.002 0.000 0.848 48 R HN 0.109 nan 8.270 nan 0.000 0.430 49 I N -0.036 120.423 120.570 -0.186 0.000 2.423 49 I HA -0.254 3.915 4.170 -0.001 0.000 0.254 49 I C 1.223 176.815 176.117 -0.875 0.000 1.151 49 I CA 1.498 62.456 61.300 -0.570 0.000 1.421 49 I CB -0.092 37.416 38.000 -0.821 0.000 1.079 49 I HN 0.222 nan 8.210 nan 0.000 0.431 50 F N -0.734 119.212 119.950 -0.008 0.000 2.463 50 F HA 0.496 5.022 4.527 -0.001 0.000 0.271 50 F C 1.059 176.803 175.800 -0.094 0.000 0.888 50 F CA 0.295 58.251 58.000 -0.073 0.000 1.149 50 F CB 0.109 39.068 39.000 -0.068 0.000 1.071 50 F HN -0.084 nan 8.300 nan 0.000 0.802 51 G N -0.735 108.144 108.800 0.130 0.000 2.355 51 G HA2 0.347 4.307 3.960 -0.001 0.000 0.296 51 G HA3 0.347 4.307 3.960 -0.001 0.000 0.296 51 G C -3.203 171.721 174.900 0.040 0.000 1.507 51 G CA -1.139 43.982 45.100 0.035 0.000 0.823 51 G HN -0.324 nan 8.290 nan 0.000 0.569 52 P HA -0.000 nan 4.420 nan 0.000 0.255 52 P C 1.127 178.439 177.300 0.020 0.000 1.151 52 P CA 0.171 63.278 63.100 0.011 0.000 0.767 52 P CB 0.459 32.146 31.700 -0.021 0.000 0.736 53 I N 2.377 122.972 120.570 0.042 0.000 2.830 53 I HA -0.109 4.060 4.170 -0.001 0.000 0.263 53 I C 0.987 177.120 176.117 0.028 0.000 1.230 53 I CA 0.967 62.294 61.300 0.044 0.000 1.480 53 I CB 0.114 38.149 38.000 0.058 0.000 1.095 53 I HN 0.173 nan 8.210 nan 0.000 0.455 54 K N 0.465 120.880 120.400 0.024 0.000 2.238 54 K HA 0.246 4.565 4.320 -0.001 0.000 0.239 54 K C 0.314 176.916 176.600 0.003 0.000 0.987 54 K CA -0.436 55.865 56.287 0.024 0.000 0.857 54 K CB 1.383 33.909 32.500 0.045 0.000 1.154 54 K HN -0.046 nan 8.250 nan 0.000 0.439 55 D N 0.507 120.911 120.400 0.007 0.000 2.144 55 D HA -0.209 4.431 4.640 -0.001 0.000 0.247 55 D C 0.825 177.095 176.300 -0.051 0.000 1.166 55 D CA 2.096 56.084 54.000 -0.020 0.000 1.014 55 D CB -0.292 40.531 40.800 0.038 0.000 1.532 55 D HN 0.567 nan 8.370 nan 0.000 0.551 56 Y N -0.128 120.179 120.300 0.011 0.000 2.498 56 Y HA 0.139 4.688 4.550 -0.001 0.000 0.259 56 Y C 0.891 176.821 175.900 0.050 0.000 1.086 56 Y CA -0.365 57.745 58.100 0.016 0.000 1.287 56 Y CB 0.740 39.200 38.460 0.001 0.000 1.146 56 Y HN 0.014 nan 8.280 nan 0.000 0.523 57 E N 0.755 121.090 120.200 0.225 0.000 2.422 57 E HA 0.038 4.388 4.350 -0.001 0.000 0.260 57 E C 0.102 176.793 176.600 0.151 0.000 1.108 57 E CA -0.053 56.455 56.400 0.179 0.000 0.943 57 E CB 0.830 30.606 29.700 0.128 0.000 0.961 57 E HN 0.361 nan 8.360 nan 0.000 0.443 58 C N 1.771 121.163 119.300 0.154 0.000 2.370 58 C HA 0.797 5.256 4.460 -0.001 0.000 0.371 58 C C 1.820 176.867 174.990 0.095 0.000 2.631 58 C CA 0.192 59.286 59.018 0.127 0.000 1.819 58 C CB -0.009 27.826 27.740 0.158 0.000 2.131 58 C HN 0.914 nan 8.230 nan 0.000 0.400 59 A N 0.232 123.103 122.820 0.086 0.000 1.821 59 A HA -0.104 4.215 4.320 -0.001 0.000 0.215 59 A C 2.227 179.848 177.584 0.061 0.000 1.216 59 A CA 2.728 54.806 52.037 0.067 0.000 0.615 59 A CB -1.645 17.392 19.000 0.062 0.000 0.862 59 A HN 1.597 nan 8.150 nan 0.000 0.450 60 C N -2.638 116.698 119.300 0.061 0.000 2.495 60 C HA 0.515 4.975 4.460 -0.001 0.000 0.275 60 C C 1.893 176.910 174.990 0.045 0.000 1.392 60 C CA 0.285 59.330 59.018 0.046 0.000 1.766 60 C CB -0.615 27.148 27.740 0.038 0.000 1.933 60 C HN 1.949 nan 8.230 nan 0.000 0.519 61 G N 0.727 109.568 108.800 0.068 0.000 2.131 61 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.201 61 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.201 61 G C 0.766 175.688 174.900 0.036 0.000 1.000 61 G CA 0.333 45.473 45.100 0.067 0.000 0.680 61 G HN 0.380 nan 8.290 nan 0.000 0.514 62 K N -0.712 119.702 120.400 0.025 0.000 2.026 62 K HA 0.005 4.325 4.320 -0.001 0.000 0.208 62 K C 0.405 176.852 176.600 -0.255 0.000 1.048 62 K CA 1.159 57.368 56.287 -0.130 0.000 0.929 62 K CB -0.110 32.295 32.500 -0.158 0.000 0.713 62 K HN 0.541 nan 8.250 nan 0.000 0.439 63 Y N 0.208 120.499 120.300 -0.016 0.000 2.334 63 Y HA 0.254 4.803 4.550 -0.001 0.000 0.336 63 Y C 0.969 176.997 175.900 0.213 0.000 0.960 63 Y CA -0.519 57.594 58.100 0.022 0.000 1.164 63 Y CB 1.677 40.157 38.460 0.034 0.000 1.155 63 Y HN -0.167 nan 8.280 nan 0.000 0.478 64 K N 1.338 122.004 120.400 0.443 0.000 2.438 64 K HA 0.251 4.571 4.320 -0.001 0.000 0.206 64 K C 0.617 177.342 176.600 0.209 0.000 1.081 64 K CA 0.026 56.483 56.287 0.283 0.000 1.053 64 K CB 0.572 33.176 32.500 0.172 0.000 0.908 64 K HN 0.518 nan 8.250 nan 0.000 0.556 65 R N -0.092 120.499 120.500 0.152 0.000 3.460 65 R HA 0.215 4.555 4.340 -0.001 0.000 0.219 65 R C 0.749 176.673 176.300 -0.627 0.000 1.633 65 R CA 0.057 56.030 56.100 -0.211 0.000 0.940 65 R CB 0.046 30.205 30.300 -0.234 0.000 1.845 65 R HN 0.005 nan 8.270 nan 0.000 0.528 66 Q N 0.105 119.404 119.800 -0.835 0.000 2.373 66 Q HA 0.009 4.348 4.340 -0.001 0.000 0.210 66 Q C 1.377 176.919 176.000 -0.762 0.000 0.913 66 Q CA 0.454 55.643 55.803 -1.023 0.000 0.911 66 Q CB 0.129 28.377 28.738 -0.817 0.000 1.040 66 Q HN 0.306 nan 8.270 nan 0.000 0.521 67 R N 1.295 121.261 120.500 -0.891 0.000 2.119 67 R HA -0.168 4.171 4.340 -0.001 0.000 0.246 67 R C 0.603 176.614 176.300 -0.481 0.000 1.146 67 R CA 2.030 57.722 56.100 -0.680 0.000 0.962 67 R CB -0.547 29.353 30.300 -0.667 0.000 0.863 67 R HN 0.444 nan 8.270 nan 0.000 0.442 68 F N 1.012 120.938 119.950 -0.040 0.000 2.983 68 F HA 0.348 4.875 4.527 -0.001 0.000 0.307 68 F C 1.109 176.882 175.800 -0.045 0.000 1.218 68 F CA -0.625 57.367 58.000 -0.013 0.000 1.323 68 F CB -0.311 38.735 39.000 0.077 0.000 0.989 68 F HN 0.049 nan 8.300 nan 0.000 0.509 69 E N 0.534 120.702 120.200 -0.053 0.000 2.209 69 E HA -0.162 4.188 4.350 -0.001 0.000 0.196 69 E C 1.589 178.252 176.600 0.104 0.000 0.993 69 E CA 1.534 57.961 56.400 0.045 0.000 0.819 69 E CB -0.411 29.311 29.700 0.036 0.000 0.745 69 E HN 0.583 nan 8.360 nan 0.000 0.477 70 G N 0.868 109.703 108.800 0.059 0.000 3.159 70 G HA2 0.042 4.001 3.960 -0.001 0.000 0.232 70 G HA3 0.042 4.001 3.960 -0.001 0.000 0.232 70 G C 0.313 175.212 174.900 -0.002 0.000 1.116 70 G CA -0.442 44.680 45.100 0.038 0.000 0.767 70 G HN -0.060 nan 8.290 nan 0.000 0.547 71 K N 0.264 120.637 120.400 -0.044 0.000 2.123 71 K HA 0.574 4.893 4.320 -0.001 0.000 0.248 71 K C -0.733 175.722 176.600 -0.242 0.000 0.969 71 K CA -0.942 55.264 56.287 -0.135 0.000 0.882 71 K CB 2.313 34.709 32.500 -0.173 0.000 1.080 71 K HN -0.111 nan 8.250 nan 0.000 0.441 72 V N 0.555 120.338 119.914 -0.219 0.000 2.612 72 V HA 0.164 4.283 4.120 -0.001 0.000 0.301 72 V C -0.349 175.593 176.094 -0.254 0.000 1.046 72 V CA -0.861 61.325 62.300 -0.190 0.000 0.946 72 V CB 1.666 33.446 31.823 -0.072 0.000 1.003 72 V HN 0.911 nan 8.190 nan 0.000 0.459 73 C N 5.393 124.615 119.300 -0.131 0.000 2.651 73 C HA 0.187 4.647 4.460 -0.001 0.000 0.410 73 C C 1.753 176.836 174.990 0.156 0.000 1.372 73 C CA 0.049 59.161 59.018 0.158 0.000 1.707 73 C CB -0.740 27.144 27.740 0.239 0.000 2.501 73 C HN 1.118 nan 8.230 nan 0.000 0.598 74 E N 2.095 122.434 120.200 0.232 0.000 2.086 74 E HA -0.244 4.106 4.350 -0.001 0.000 0.200 74 E C 1.795 178.440 176.600 0.075 0.000 1.012 74 E CA 1.875 58.347 56.400 0.120 0.000 0.812 74 E CB 0.064 29.829 29.700 0.109 0.000 0.743 74 E HN 0.623 nan 8.360 nan 0.000 0.453 75 R N -1.031 119.516 120.500 0.078 0.000 2.312 75 R HA 0.187 4.526 4.340 -0.001 0.000 0.205 75 R C -0.181 176.148 176.300 0.048 0.000 0.904 75 R CA 0.267 56.395 56.100 0.047 0.000 1.052 75 R CB 0.526 30.845 30.300 0.032 0.000 1.014 75 R HN 0.252 nan 8.270 nan 0.000 0.503 76 C N -1.512 117.828 119.300 0.066 0.000 2.701 76 C HA 0.747 5.207 4.460 -0.001 0.000 0.336 76 C C 0.522 175.542 174.990 0.050 0.000 1.123 76 C CA -1.226 57.826 59.018 0.055 0.000 1.326 76 C CB 1.239 29.016 27.740 0.063 0.000 1.833 76 C HN 0.385 nan 8.230 nan 0.000 0.473 77 G N 3.391 112.211 108.800 0.033 0.000 2.716 77 G HA2 0.511 4.471 3.960 -0.001 0.000 0.296 77 G HA3 0.511 4.471 3.960 -0.001 0.000 0.296 77 G C -0.445 174.470 174.900 0.025 0.000 0.811 77 G CA -0.066 45.047 45.100 0.022 0.000 1.758 77 G HN 1.282 nan 8.290 nan 0.000 0.512 78 V N 2.775 122.702 119.914 0.022 0.000 2.445 78 V HA 0.267 4.387 4.120 -0.001 0.000 0.283 78 V C -0.024 176.076 176.094 0.010 0.000 1.014 78 V CA -1.056 61.262 62.300 0.029 0.000 0.852 78 V CB 1.416 33.272 31.823 0.054 0.000 1.021 78 V HN 0.727 nan 8.190 nan 0.000 0.435 79 E N 3.626 123.831 120.200 0.010 0.000 2.313 79 E HA 0.718 5.067 4.350 -0.001 0.000 0.272 79 E C -1.154 175.461 176.600 0.026 0.000 1.038 79 E CA -0.291 56.115 56.400 0.009 0.000 0.863 79 E CB 2.059 31.767 29.700 0.012 0.000 1.060 79 E HN 0.600 nan 8.360 nan 0.000 0.402 80 V N 0.403 120.352 119.914 0.058 0.000 3.120 80 V HA 0.579 4.698 4.120 -0.001 0.000 0.303 80 V C -0.306 175.763 176.094 -0.042 0.000 1.238 80 V CA -0.862 61.447 62.300 0.016 0.000 1.008 80 V CB 1.602 33.460 31.823 0.058 0.000 1.064 80 V HN 0.791 nan 8.190 nan 0.000 0.434 81 T N 0.516 114.902 114.554 -0.281 0.000 2.573 81 T HA 0.546 4.896 4.350 -0.001 0.000 0.259 81 T C 0.089 174.453 174.700 -0.559 0.000 0.886 81 T CA -0.602 61.161 62.100 -0.562 0.000 1.110 81 T CB 1.487 70.172 68.868 -0.305 0.000 1.421 81 T HN 0.713 nan 8.240 nan 0.000 0.523 82 K N 0.889 121.023 120.400 -0.442 0.000 2.981 82 K HA 0.303 4.622 4.320 -0.001 0.000 0.308 82 K C 1.378 177.855 176.600 -0.207 0.000 1.089 82 K CA 0.296 56.406 56.287 -0.294 0.000 1.362 82 K CB -0.263 32.112 32.500 -0.208 0.000 1.631 82 K HN 0.388 nan 8.250 nan 0.000 0.547 83 S N 0.408 116.015 115.700 -0.155 0.000 2.575 83 S HA 0.140 4.609 4.470 -0.001 0.000 0.237 83 S C 1.453 175.952 174.600 -0.167 0.000 0.975 83 S CA -0.277 57.851 58.200 -0.121 0.000 0.960 83 S CB -0.461 62.703 63.200 -0.059 0.000 0.822 83 S HN 0.415 nan 8.310 nan 0.000 0.472 84 I N 0.170 120.581 120.570 -0.266 0.000 2.361 84 I HA -0.121 4.048 4.170 -0.001 0.000 0.251 84 I C 2.173 177.914 176.117 -0.627 0.000 1.133 84 I CA 0.859 61.886 61.300 -0.455 0.000 1.413 84 I CB -1.158 36.465 38.000 -0.629 0.000 1.073 84 I HN 0.208 nan 8.210 nan 0.000 0.424 85 V N -0.045 119.599 119.914 -0.451 0.000 2.546 85 V HA -0.260 3.860 4.120 -0.001 0.000 0.254 85 V C 2.736 178.703 176.094 -0.211 0.000 1.076 85 V CA 2.079 64.173 62.300 -0.343 0.000 1.087 85 V CB -1.351 30.340 31.823 -0.220 0.000 0.674 85 V HN 0.473 nan 8.190 nan 0.000 0.470 86 R N 1.168 121.590 120.500 -0.131 0.000 2.092 86 R HA -0.149 4.190 4.340 -0.001 0.000 0.231 86 R C 2.502 178.822 176.300 0.034 0.000 1.119 86 R CA 1.778 57.874 56.100 -0.006 0.000 0.970 86 R CB -0.119 30.192 30.300 0.018 0.000 0.864 86 R HN 0.627 nan 8.270 nan 0.000 0.440 87 R N -0.982 119.534 120.500 0.026 0.000 2.276 87 R HA -0.001 4.338 4.340 -0.001 0.000 0.196 87 R C 0.866 177.352 176.300 0.310 0.000 0.961 87 R CA 1.227 57.408 56.100 0.135 0.000 1.024 87 R CB -0.288 30.109 30.300 0.161 0.000 0.940 87 R HN 0.374 nan 8.270 nan 0.000 0.480 88 Y N -0.437 119.823 120.300 -0.067 0.000 2.509 88 Y HA 0.340 4.889 4.550 -0.001 0.000 0.270 88 Y C 0.510 176.349 175.900 -0.101 0.000 1.103 88 Y CA -0.905 57.149 58.100 -0.078 0.000 1.278 88 Y CB 0.398 38.808 38.460 -0.083 0.000 1.087 88 Y HN -0.139 nan 8.280 nan 0.000 0.542 89 R N 1.143 121.641 120.500 -0.003 0.000 2.539 89 R HA 0.250 4.589 4.340 -0.001 0.000 0.275 89 R C -0.331 176.051 176.300 0.137 0.000 1.077 89 R CA 0.323 56.311 56.100 -0.187 0.000 1.097 89 R CB 0.577 30.551 30.300 -0.544 0.000 1.018 89 R HN 0.023 nan 8.270 nan 0.000 0.483 90 M N 0.653 120.380 119.600 0.211 0.000 2.598 90 M HA 0.465 4.944 4.480 -0.001 0.000 0.317 90 M C 0.191 176.686 176.300 0.324 0.000 1.179 90 M CA -0.771 54.730 55.300 0.335 0.000 0.936 90 M CB 2.375 35.207 32.600 0.387 0.000 1.713 90 M HN 0.749 nan 8.290 nan 0.000 0.460 91 G N 0.529 109.540 108.800 0.352 0.000 2.533 91 G HA2 0.752 4.712 3.960 -0.001 0.000 0.304 91 G HA3 0.752 4.712 3.960 -0.001 0.000 0.304 91 G C -1.528 173.529 174.900 0.262 0.000 1.263 91 G CA -0.385 44.862 45.100 0.244 0.000 0.964 91 G HN 0.837 nan 8.290 nan 0.000 0.479 92 H N -0.759 118.304 119.070 -0.012 0.000 2.690 92 H HA 0.596 5.151 4.556 -0.001 0.000 0.368 92 H C -1.349 173.948 175.328 -0.051 0.000 1.150 92 H CA -1.569 54.453 56.048 -0.044 0.000 1.174 92 H CB 1.565 31.262 29.762 -0.108 0.000 1.684 92 H HN 0.321 nan 8.280 nan 0.000 0.538 93 I N 2.095 122.611 120.570 -0.089 0.000 2.328 93 I HA 0.063 4.232 4.170 -0.001 0.000 0.287 93 I C 0.103 176.160 176.117 -0.101 0.000 1.012 93 I CA -0.640 60.584 61.300 -0.128 0.000 1.195 93 I CB 1.292 39.263 38.000 -0.048 0.000 1.350 93 I HN 0.518 nan 8.210 nan 0.000 0.464 94 E N 6.811 126.927 120.200 -0.139 0.000 2.029 94 E HA 0.210 4.560 4.350 -0.001 0.000 0.276 94 E C -0.577 175.990 176.600 -0.055 0.000 1.163 94 E CA -0.051 56.300 56.400 -0.081 0.000 0.909 94 E CB 0.333 29.980 29.700 -0.087 0.000 1.046 94 E HN 0.459 nan 8.360 nan 0.000 0.406 95 L N 3.405 124.604 121.223 -0.040 0.000 2.456 95 L HA 0.108 4.447 4.340 -0.001 0.000 0.272 95 L C 1.274 178.123 176.870 -0.034 0.000 1.189 95 L CA -0.024 54.798 54.840 -0.031 0.000 0.846 95 L CB 0.794 42.837 42.059 -0.027 0.000 1.111 95 L HN 0.751 nan 8.230 nan 0.000 0.475 96 A N 3.300 126.101 122.820 -0.031 0.000 1.881 96 A HA -0.065 4.255 4.320 -0.001 0.000 0.208 96 A C 0.866 178.428 177.584 -0.037 0.000 1.264 96 A CA 1.133 53.150 52.037 -0.033 0.000 0.629 96 A CB -0.554 18.429 19.000 -0.028 0.000 0.906 96 A HN 0.672 nan 8.150 nan 0.000 0.476 97 T N 2.366 116.895 114.554 -0.041 0.000 2.780 97 T HA 0.480 4.829 4.350 -0.001 0.000 0.294 97 T C -2.406 172.259 174.700 -0.058 0.000 0.949 97 T CA -0.829 61.240 62.100 -0.052 0.000 1.074 97 T CB 0.993 69.827 68.868 -0.056 0.000 0.910 97 T HN 0.175 nan 8.240 nan 0.000 0.501 98 P HA 0.184 nan 4.420 nan 0.000 0.271 98 P C -1.025 176.223 177.300 -0.086 0.000 1.197 98 P CA 0.103 63.164 63.100 -0.065 0.000 0.777 98 P CB 0.408 32.067 31.700 -0.068 0.000 0.827 99 A N 0.393 123.167 122.820 -0.076 0.000 2.594 99 A HA 0.794 5.113 4.320 -0.001 0.000 0.291 99 A C -1.350 176.213 177.584 -0.034 0.000 1.105 99 A CA -0.191 51.794 52.037 -0.086 0.000 0.694 99 A CB 1.552 20.512 19.000 -0.067 0.000 1.291 99 A HN 0.529 nan 8.150 nan 0.000 0.410 100 A N 0.089 122.921 122.820 0.021 0.000 2.354 100 A HA 0.702 5.021 4.320 -0.001 0.000 0.321 100 A C -0.549 177.192 177.584 0.262 0.000 1.125 100 A CA -0.594 51.537 52.037 0.158 0.000 0.799 100 A CB 0.501 19.665 19.000 0.273 0.000 1.293 100 A HN 0.932 nan 8.150 nan 0.000 0.452 101 H N 1.069 120.308 119.070 0.282 0.000 3.004 101 H HA 0.074 4.630 4.556 -0.001 0.000 0.316 101 H C 0.999 176.563 175.328 0.393 0.000 1.014 101 H CA 0.512 56.775 56.048 0.358 0.000 1.454 101 H CB 0.894 31.037 29.762 0.635 0.000 1.472 101 H HN 0.600 nan 8.280 nan 0.000 0.571 102 I N 4.127 125.037 120.570 0.566 0.000 2.676 102 I HA -0.215 3.954 4.170 -0.001 0.000 0.259 102 I C 1.179 177.545 176.117 0.415 0.000 1.194 102 I CA 0.305 61.870 61.300 0.443 0.000 1.473 102 I CB 0.067 38.301 38.000 0.389 0.000 1.096 102 I HN 0.573 nan 8.210 nan 0.000 0.443 103 W N 0.088 121.433 121.300 0.074 0.000 2.425 103 W HA -0.127 4.532 4.660 -0.001 0.000 0.277 103 W C 1.848 178.173 176.519 -0.323 0.000 1.231 103 W CA 1.221 58.416 57.345 -0.251 0.000 1.248 103 W CB -0.514 28.547 29.460 -0.665 0.000 1.117 103 W HN 0.113 nan 8.180 nan 0.000 0.568 104 F N -2.370 117.703 119.950 0.204 0.000 2.678 104 F HA 0.010 4.537 4.527 -0.001 0.000 0.291 104 F C 1.879 177.733 175.800 0.090 0.000 1.123 104 F CA 0.452 58.530 58.000 0.130 0.000 1.395 104 F CB -0.433 38.686 39.000 0.198 0.000 1.121 104 F HN -0.393 nan 8.300 nan 0.000 0.592 105 V N -0.980 119.105 119.914 0.285 0.000 2.685 105 V HA -0.024 4.095 4.120 -0.001 0.000 0.244 105 V C 1.922 178.025 176.094 0.014 0.000 1.054 105 V CA 1.121 63.485 62.300 0.107 0.000 1.076 105 V CB -0.201 31.656 31.823 0.057 0.000 0.725 105 V HN 0.036 nan 8.190 nan 0.000 0.467 106 K N 0.262 120.687 120.400 0.042 0.000 2.372 106 K HA 0.179 4.498 4.320 -0.001 0.000 0.200 106 K C 0.348 176.910 176.600 -0.064 0.000 1.022 106 K CA -0.073 56.209 56.287 -0.008 0.000 1.125 106 K CB -0.145 32.370 32.500 0.025 0.000 0.855 106 K HN 0.420 nan 8.250 nan 0.000 0.524 107 D N 0.897 121.229 120.400 -0.114 0.000 2.424 107 D HA -0.045 4.595 4.640 -0.001 0.000 0.244 107 D C 1.521 177.715 176.300 -0.178 0.000 1.134 107 D CA -0.015 53.848 54.000 -0.229 0.000 0.881 107 D CB 1.490 42.032 40.800 -0.430 0.000 1.191 107 D HN -0.238 nan 8.370 nan 0.000 0.445 108 V N 4.298 124.128 119.914 -0.140 0.000 2.242 108 V HA -0.222 3.897 4.120 -0.001 0.000 0.257 108 V C -1.400 174.655 176.094 -0.064 0.000 1.073 108 V CA 1.471 63.728 62.300 -0.071 0.000 1.058 108 V CB -1.803 30.004 31.823 -0.027 0.000 0.664 108 V HN 0.670 nan 8.190 nan 0.000 0.451 109 P HA 0.255 nan 4.420 nan 0.000 0.284 109 P C -0.397 176.874 177.300 -0.049 0.000 1.343 109 P CA 0.244 63.323 63.100 -0.034 0.000 0.826 109 P CB 0.906 32.617 31.700 0.019 0.000 0.956 110 S N 3.224 118.915 115.700 -0.015 0.000 2.507 110 S HA 0.001 4.470 4.470 -0.001 0.000 0.299 110 S C 1.465 176.105 174.600 0.067 0.000 1.214 110 S CA -0.195 58.013 58.200 0.012 0.000 1.137 110 S CB -0.034 63.171 63.200 0.009 0.000 1.009 110 S HN 0.152 nan 8.310 nan 0.000 0.512 111 K N 4.306 124.771 120.400 0.109 0.000 2.281 111 K HA -0.061 4.258 4.320 -0.001 0.000 0.203 111 K C 1.449 178.166 176.600 0.195 0.000 1.046 111 K CA 1.513 57.907 56.287 0.179 0.000 0.938 111 K CB -0.285 32.401 32.500 0.311 0.000 0.737 111 K HN 0.806 nan 8.250 nan 0.000 0.458 112 I N -2.178 118.503 120.570 0.186 0.000 3.035 112 I HA 0.189 4.358 4.170 -0.001 0.000 0.271 112 I C 1.568 177.765 176.117 0.134 0.000 1.190 112 I CA 1.026 62.430 61.300 0.174 0.000 1.472 112 I CB 0.184 38.321 38.000 0.228 0.000 1.116 112 I HN 0.021 nan 8.210 nan 0.000 0.443 113 G N -0.305 108.557 108.800 0.104 0.000 2.603 113 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.214 113 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.214 113 G C 1.354 176.294 174.900 0.066 0.000 1.140 113 G CA 0.906 46.051 45.100 0.076 0.000 0.800 113 G HN 0.394 nan 8.290 nan 0.000 0.533 114 T N 1.198 115.795 114.554 0.073 0.000 2.851 114 T HA -0.035 4.315 4.350 -0.001 0.000 0.262 114 T C 2.171 176.916 174.700 0.075 0.000 1.043 114 T CA 0.921 63.062 62.100 0.068 0.000 1.140 114 T CB -0.122 68.790 68.868 0.073 0.000 0.872 114 T HN 0.134 nan 8.240 nan 0.000 0.446 115 L N 0.520 121.801 121.223 0.096 0.000 2.072 115 L HA 0.295 4.634 4.340 -0.001 0.000 0.205 115 L C 0.671 177.580 176.870 0.066 0.000 1.079 115 L CA 1.444 56.342 54.840 0.096 0.000 0.752 115 L CB -0.601 41.542 42.059 0.140 0.000 0.906 115 L HN 0.198 nan 8.230 nan 0.000 0.436 116 L N 1.558 122.821 121.223 0.066 0.000 2.260 116 L HA 0.183 4.523 4.340 -0.001 0.000 0.289 116 L C -0.541 176.357 176.870 0.046 0.000 1.057 116 L CA -0.359 54.509 54.840 0.048 0.000 0.811 116 L CB 0.670 42.761 42.059 0.054 0.000 1.184 116 L HN 0.119 nan 8.230 nan 0.000 0.429 117 D N 6.130 126.550 120.400 0.033 0.000 2.441 117 D HA 0.289 4.929 4.640 -0.001 0.000 0.243 117 D C -0.242 176.073 176.300 0.026 0.000 1.257 117 D CA 0.489 54.506 54.000 0.028 0.000 1.027 117 D CB 0.089 40.901 40.800 0.020 0.000 1.084 117 D HN 0.279 nan 8.370 nan 0.000 0.514 118 L N -0.523 120.720 121.223 0.034 0.000 2.277 118 L HA 0.427 4.766 4.340 -0.001 0.000 0.254 118 L C 0.589 177.476 176.870 0.029 0.000 1.044 118 L CA -1.248 53.612 54.840 0.033 0.000 0.842 118 L CB 1.150 43.243 42.059 0.057 0.000 1.422 118 L HN -0.242 nan 8.230 nan 0.000 0.422 119 S N 0.988 116.701 115.700 0.021 0.000 2.519 119 S HA 0.130 4.600 4.470 -0.001 0.000 0.310 119 S C 1.299 175.911 174.600 0.019 0.000 1.201 119 S CA 0.274 58.484 58.200 0.016 0.000 1.179 119 S CB 0.638 63.843 63.200 0.008 0.000 1.104 119 S HN 0.746 nan 8.310 nan 0.000 0.527 120 A N 4.360 127.192 122.820 0.020 0.000 1.942 120 A HA -0.310 4.009 4.320 -0.001 0.000 0.227 120 A C 2.208 179.794 177.584 0.003 0.000 1.445 120 A CA 2.898 54.946 52.037 0.018 0.000 0.704 120 A CB -1.264 17.746 19.000 0.016 0.000 0.841 120 A HN 0.804 nan 8.150 nan 0.000 0.495 121 T N -4.996 109.556 114.554 -0.003 0.000 2.955 121 T HA 0.302 4.651 4.350 -0.001 0.000 0.251 121 T C 1.473 176.166 174.700 -0.013 0.000 1.002 121 T CA 0.820 62.909 62.100 -0.018 0.000 0.970 121 T CB 0.384 69.243 68.868 -0.016 0.000 1.091 121 T HN 0.564 nan 8.240 nan 0.000 0.495 122 E N 0.246 120.447 120.200 0.001 0.000 2.244 122 E HA 0.247 4.596 4.350 -0.001 0.000 0.196 122 E C 1.775 178.389 176.600 0.024 0.000 0.939 122 E CA -0.034 56.373 56.400 0.010 0.000 0.884 122 E CB 0.062 29.766 29.700 0.008 0.000 0.850 122 E HN 0.167 nan 8.360 nan 0.000 0.481 123 L N 1.811 123.047 121.223 0.022 0.000 2.079 123 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 123 L C 2.000 178.927 176.870 0.095 0.000 1.081 123 L CA 1.696 56.554 54.840 0.030 0.000 0.752 123 L CB -0.238 41.834 42.059 0.022 0.000 0.896 123 L HN 0.179 nan 8.230 nan 0.000 0.433 124 E N -1.155 119.105 120.200 0.099 0.000 2.007 124 E HA -0.325 4.024 4.350 -0.001 0.000 0.194 124 E C 2.113 178.842 176.600 0.215 0.000 0.999 124 E CA 1.427 57.927 56.400 0.168 0.000 0.811 124 E CB -0.199 29.398 29.700 -0.172 0.000 0.762 124 E HN 0.424 nan 8.360 nan 0.000 0.450 125 Q N 0.814 120.651 119.800 0.061 0.000 2.268 125 Q HA -0.190 4.150 4.340 -0.001 0.000 0.210 125 Q C 1.974 178.128 176.000 0.256 0.000 0.988 125 Q CA 1.334 57.238 55.803 0.169 0.000 0.883 125 Q CB -0.095 28.681 28.738 0.063 0.000 0.911 125 Q HN 0.092 nan 8.270 nan 0.000 0.430 126 V N 0.093 120.124 119.914 0.194 0.000 2.237 126 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 126 V C 2.082 178.378 176.094 0.336 0.000 1.046 126 V CA 1.925 64.341 62.300 0.194 0.000 1.007 126 V CB -0.639 31.205 31.823 0.035 0.000 0.638 126 V HN 0.633 nan 8.190 nan 0.000 0.445 127 L N -1.954 119.460 121.223 0.318 0.000 2.249 127 L HA 0.087 4.426 4.340 -0.001 0.000 0.207 127 L C 2.225 179.285 176.870 0.317 0.000 1.090 127 L CA 1.432 56.513 54.840 0.401 0.000 0.802 127 L CB -1.019 41.192 42.059 0.254 0.000 0.947 127 L HN 0.246 nan 8.230 nan 0.000 0.453 128 Y N 0.202 120.597 120.300 0.160 0.000 2.014 128 Y HA -0.234 4.315 4.550 -0.001 0.000 0.270 128 Y C 2.237 178.116 175.900 -0.037 0.000 1.145 128 Y CA 2.833 60.962 58.100 0.048 0.000 1.106 128 Y CB -0.843 37.682 38.460 0.108 0.000 0.968 128 Y HN 0.187 nan 8.280 nan 0.000 0.484 129 F N -1.911 118.207 119.950 0.280 0.000 2.569 129 F HA 0.058 4.584 4.527 -0.001 0.000 0.295 129 F C 1.931 177.802 175.800 0.119 0.000 1.115 129 F CA 0.677 58.778 58.000 0.168 0.000 1.450 129 F CB -0.289 38.798 39.000 0.145 0.000 1.107 129 F HN -0.118 nan 8.300 nan 0.000 0.563 130 S N -0.214 115.665 115.700 0.299 0.000 2.397 130 S HA 0.337 4.806 4.470 -0.001 0.000 0.261 130 S C -0.299 174.314 174.600 0.021 0.000 1.151 130 S CA -0.615 57.688 58.200 0.171 0.000 1.022 130 S CB 0.596 63.939 63.200 0.237 0.000 1.187 130 S HN 0.081 nan 8.310 nan 0.000 0.473 131 K N 0.401 120.621 120.400 -0.300 0.000 2.535 131 K HA 0.467 4.787 4.320 -0.001 0.000 0.253 131 K C -2.409 173.596 176.600 -0.991 0.000 0.953 131 K CA -0.470 55.530 56.287 -0.477 0.000 0.863 131 K CB 0.615 32.893 32.500 -0.369 0.000 1.111 131 K HN 0.663 nan 8.250 nan 0.000 0.431 132 Y N 4.605 124.905 120.300 -0.000 0.000 2.252 132 Y HA 0.276 4.825 4.550 -0.001 0.000 0.318 132 Y C -0.641 175.235 175.900 -0.040 0.000 1.220 132 Y CA -0.893 57.202 58.100 -0.008 0.000 1.207 132 Y CB 0.707 39.172 38.460 0.009 0.000 1.244 132 Y HN 0.356 nan 8.280 nan 0.000 0.404 133 I N 4.184 124.763 120.570 0.014 0.000 2.532 133 I HA 0.602 4.772 4.170 -0.001 0.000 0.292 133 I C 0.186 176.256 176.117 -0.079 0.000 1.014 133 I CA -1.229 60.031 61.300 -0.067 0.000 1.340 133 I CB 1.069 38.987 38.000 -0.136 0.000 1.422 133 I HN 0.394 nan 8.210 nan 0.000 0.528 134 V N 4.253 124.102 119.914 -0.109 0.000 2.815 134 V HA 0.648 4.768 4.120 -0.001 0.000 0.314 134 V C -0.708 175.315 176.094 -0.119 0.000 1.064 134 V CA -0.920 61.323 62.300 -0.094 0.000 0.952 134 V CB 1.836 33.612 31.823 -0.078 0.000 1.020 134 V HN 0.529 nan 8.190 nan 0.000 0.439 135 L N 3.035 124.208 121.223 -0.085 0.000 2.296 135 L HA 0.577 4.917 4.340 -0.001 0.000 0.286 135 L C 0.666 177.502 176.870 -0.055 0.000 1.023 135 L CA 0.009 54.807 54.840 -0.070 0.000 0.812 135 L CB 1.111 43.145 42.059 -0.042 0.000 1.223 135 L HN 0.823 nan 8.230 nan 0.000 0.421 136 D N 2.836 123.203 120.400 -0.054 0.000 2.196 136 D HA 0.087 4.727 4.640 -0.001 0.000 0.228 136 D C -0.978 175.301 176.300 -0.036 0.000 1.028 136 D CA 0.994 54.966 54.000 -0.047 0.000 0.924 136 D CB -0.146 40.625 40.800 -0.049 0.000 1.025 136 D HN 0.358 nan 8.370 nan 0.000 0.438 137 P HA 0.221 nan 4.420 nan 0.000 0.207 137 P C -0.741 176.551 177.300 -0.012 0.000 1.169 137 P CA 0.681 63.768 63.100 -0.021 0.000 0.900 137 P CB 0.357 32.046 31.700 -0.018 0.000 0.747 138 K N -0.808 119.588 120.400 -0.006 0.000 2.422 138 K HA 0.739 5.058 4.320 -0.001 0.000 0.251 138 K C -0.601 176.006 176.600 0.012 0.000 0.933 138 K CA -0.837 55.456 56.287 0.010 0.000 0.798 138 K CB 2.330 34.854 32.500 0.040 0.000 1.238 138 K HN 0.019 nan 8.250 nan 0.000 0.428 139 G N 0.818 109.629 108.800 0.019 0.000 3.948 139 G HA2 0.402 4.361 3.960 -0.001 0.000 0.300 139 G HA3 0.402 4.361 3.960 -0.001 0.000 0.300 139 G C 0.635 175.545 174.900 0.017 0.000 1.318 139 G CA -0.263 44.858 45.100 0.034 0.000 0.768 139 G HN 0.657 nan 8.290 nan 0.000 0.504 140 A N 1.115 123.942 122.820 0.012 0.000 2.023 140 A HA -0.107 4.213 4.320 -0.001 0.000 0.223 140 A C 1.190 178.634 177.584 -0.232 0.000 1.180 140 A CA 1.163 53.044 52.037 -0.261 0.000 0.659 140 A CB -0.119 18.479 19.000 -0.671 0.000 0.817 140 A HN 0.567 nan 8.150 nan 0.000 0.466 141 I N -0.407 120.137 120.570 -0.043 0.000 2.664 141 I HA 0.406 4.576 4.170 -0.001 0.000 0.308 141 I C -0.006 176.118 176.117 0.013 0.000 0.984 141 I CA -0.980 60.319 61.300 -0.003 0.000 1.213 141 I CB 1.432 39.486 38.000 0.090 0.000 1.379 141 I HN 0.330 nan 8.210 nan 0.000 0.501 142 L N 3.803 125.037 121.223 0.019 0.000 2.456 142 L HA 0.466 4.805 4.340 -0.001 0.000 0.257 142 L C 0.727 177.622 176.870 0.042 0.000 1.162 142 L CA 0.027 54.882 54.840 0.024 0.000 0.808 142 L CB -0.218 41.854 42.059 0.022 0.000 1.136 142 L HN 0.726 nan 8.230 nan 0.000 0.466 143 N N -1.357 117.365 118.700 0.038 0.000 2.317 143 N HA 0.239 4.979 4.740 -0.001 0.000 0.199 143 N C 0.877 176.410 175.510 0.038 0.000 1.145 143 N CA 0.640 53.717 53.050 0.044 0.000 0.882 143 N CB 1.555 40.069 38.487 0.044 0.000 1.113 143 N HN 0.860 nan 8.380 nan 0.000 0.486 144 G N 0.473 109.291 108.800 0.031 0.000 3.751 144 G HA2 0.034 3.994 3.960 -0.001 0.000 0.216 144 G HA3 0.034 3.994 3.960 -0.001 0.000 0.216 144 G C -0.648 174.264 174.900 0.019 0.000 0.911 144 G CA 0.154 45.270 45.100 0.026 0.000 0.869 144 G HN 0.186 nan 8.290 nan 0.000 0.462 145 V N 2.139 122.063 119.914 0.016 0.000 3.155 145 V HA 0.794 4.913 4.120 -0.001 0.000 0.313 145 V C -1.904 174.191 176.094 0.001 0.000 1.162 145 V CA -2.119 60.187 62.300 0.009 0.000 1.048 145 V CB 2.428 34.257 31.823 0.009 0.000 1.092 145 V HN 0.105 nan 8.190 nan 0.000 0.447 146 P HA 0.040 nan 4.420 nan 0.000 0.271 146 P C -0.160 177.130 177.300 -0.016 0.000 1.238 146 P CA 0.270 63.358 63.100 -0.020 0.000 0.794 146 P CB 0.446 32.132 31.700 -0.023 0.000 0.959 147 V N 0.932 120.830 119.914 -0.027 0.000 2.644 147 V HA -0.125 3.995 4.120 -0.001 0.000 0.305 147 V C 0.175 176.262 176.094 -0.012 0.000 1.053 147 V CA 0.417 62.707 62.300 -0.017 0.000 1.186 147 V CB -0.738 31.070 31.823 -0.025 0.000 0.895 147 V HN 0.435 nan 8.190 nan 0.000 0.490 148 E N 5.954 126.150 120.200 -0.006 0.000 2.070 148 E HA 0.202 4.551 4.350 -0.001 0.000 0.282 148 E C 0.743 177.334 176.600 -0.015 0.000 1.104 148 E CA -0.111 56.284 56.400 -0.009 0.000 0.876 148 E CB 0.851 30.548 29.700 -0.005 0.000 1.055 148 E HN 0.679 nan 8.360 nan 0.000 0.401 149 K N 2.110 122.500 120.400 -0.017 0.000 2.044 149 K HA -0.175 4.144 4.320 -0.001 0.000 0.210 149 K C 1.198 177.782 176.600 -0.027 0.000 1.049 149 K CA 1.454 57.728 56.287 -0.021 0.000 0.927 149 K CB 0.108 32.596 32.500 -0.020 0.000 0.713 149 K HN 0.274 nan 8.250 nan 0.000 0.443 150 R N -0.247 120.237 120.500 -0.026 0.000 2.521 150 R HA 0.151 4.490 4.340 -0.001 0.000 0.289 150 R C 0.398 176.680 176.300 -0.030 0.000 0.936 150 R CA -0.143 55.938 56.100 -0.032 0.000 1.089 150 R CB 0.604 30.884 30.300 -0.033 0.000 1.348 150 R HN 0.196 nan 8.270 nan 0.000 0.536 151 Q N 1.457 121.244 119.800 -0.022 0.000 2.631 151 Q HA 0.253 4.593 4.340 -0.001 0.000 0.210 151 Q C 0.001 175.990 176.000 -0.019 0.000 1.094 151 Q CA 0.194 55.988 55.803 -0.015 0.000 1.055 151 Q CB 0.573 29.307 28.738 -0.006 0.000 1.261 151 Q HN 0.152 nan 8.270 nan 0.000 0.615 152 L N -0.311 120.908 121.223 -0.006 0.000 2.362 152 L HA 0.806 5.145 4.340 -0.001 0.000 0.271 152 L C -1.324 175.554 176.870 0.014 0.000 1.002 152 L CA -1.231 53.606 54.840 -0.005 0.000 0.818 152 L CB 1.251 43.317 42.059 0.011 0.000 1.298 152 L HN 0.567 nan 8.230 nan 0.000 0.420 153 L N 1.384 122.607 121.223 -0.001 0.000 2.371 153 L HA 0.729 5.069 4.340 -0.001 0.000 0.262 153 L C -0.019 176.861 176.870 0.018 0.000 1.006 153 L CA 0.017 54.872 54.840 0.025 0.000 0.818 153 L CB 2.266 44.346 42.059 0.036 0.000 1.354 153 L HN 0.804 nan 8.230 nan 0.000 0.415 154 T N 0.074 114.659 114.554 0.053 0.000 2.816 154 T HA 0.149 4.498 4.350 -0.001 0.000 0.282 154 T C 0.734 175.492 174.700 0.097 0.000 0.993 154 T CA 0.787 62.915 62.100 0.047 0.000 0.994 154 T CB 0.921 69.818 68.868 0.048 0.000 1.025 154 T HN 0.979 nan 8.240 nan 0.000 0.529 155 D N 0.145 120.599 120.400 0.090 0.000 2.178 155 D HA -0.109 4.531 4.640 -0.001 0.000 0.201 155 D C 1.752 178.134 176.300 0.137 0.000 0.980 155 D CA 1.308 55.409 54.000 0.169 0.000 0.842 155 D CB 0.186 41.045 40.800 0.099 0.000 0.948 155 D HN 0.548 nan 8.370 nan 0.000 0.472 156 E N 0.474 120.727 120.200 0.089 0.000 2.015 156 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 156 E C 2.149 178.801 176.600 0.087 0.000 0.991 156 E CA 0.979 57.422 56.400 0.073 0.000 0.802 156 E CB -0.433 29.303 29.700 0.060 0.000 0.759 156 E HN 0.456 nan 8.360 nan 0.000 0.447 157 E N -0.042 120.218 120.200 0.101 0.000 2.347 157 E HA -0.141 4.208 4.350 -0.001 0.000 0.196 157 E C 1.700 178.383 176.600 0.138 0.000 1.008 157 E CA 0.401 56.864 56.400 0.105 0.000 0.852 157 E CB -0.146 29.610 29.700 0.094 0.000 0.783 157 E HN 0.243 nan 8.360 nan 0.000 0.505 158 Y N 0.805 121.113 120.300 0.013 0.000 2.286 158 Y HA 0.012 4.562 4.550 -0.001 0.000 0.293 158 Y C 2.118 177.999 175.900 -0.031 0.000 1.124 158 Y CA 1.230 59.326 58.100 -0.007 0.000 1.178 158 Y CB -0.013 38.432 38.460 -0.024 0.000 1.010 158 Y HN -0.176 nan 8.280 nan 0.000 0.536 159 R N 0.459 120.860 120.500 -0.165 0.000 2.082 159 R HA -0.219 4.121 4.340 -0.001 0.000 0.234 159 R C 2.010 178.224 176.300 -0.143 0.000 1.136 159 R CA 2.193 58.105 56.100 -0.313 0.000 0.935 159 R CB -0.288 29.942 30.300 -0.117 0.000 0.842 159 R HN 0.292 nan 8.270 nan 0.000 0.430 160 E N 0.779 121.052 120.200 0.122 0.000 2.068 160 E HA -0.268 4.082 4.350 -0.001 0.000 0.207 160 E C 1.894 178.627 176.600 0.223 0.000 1.032 160 E CA 1.925 58.476 56.400 0.251 0.000 0.839 160 E CB -0.409 29.366 29.700 0.126 0.000 0.758 160 E HN 0.289 nan 8.360 nan 0.000 0.457 161 L N 0.554 121.835 121.223 0.096 0.000 1.941 161 L HA -0.332 4.008 4.340 -0.001 0.000 0.224 161 L C 2.514 179.429 176.870 0.075 0.000 1.081 161 L CA 2.463 57.351 54.840 0.080 0.000 0.784 161 L CB -0.405 41.698 42.059 0.073 0.000 0.894 161 L HN 0.113 nan 8.230 nan 0.000 0.436 162 R N 0.129 120.591 120.500 -0.064 0.000 2.153 162 R HA -0.271 4.069 4.340 -0.001 0.000 0.252 162 R C 1.595 177.931 176.300 0.061 0.000 1.158 162 R CA 2.577 58.623 56.100 -0.091 0.000 0.975 162 R CB -1.422 28.683 30.300 -0.325 0.000 0.871 162 R HN 0.703 nan 8.270 nan 0.000 0.450 163 Y N -1.088 119.163 120.300 -0.081 0.000 2.571 163 Y HA 0.636 5.185 4.550 -0.001 0.000 0.275 163 Y C 0.929 176.812 175.900 -0.027 0.000 1.179 163 Y CA -1.440 56.630 58.100 -0.050 0.000 1.242 163 Y CB -0.833 37.589 38.460 -0.062 0.000 1.126 163 Y HN 0.399 nan 8.280 nan 0.000 0.524 164 G N 1.350 110.252 108.800 0.169 0.000 2.475 164 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.223 164 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.223 164 G C -0.575 174.344 174.900 0.031 0.000 1.201 164 G CA -0.344 44.801 45.100 0.074 0.000 0.962 164 G HN 0.215 nan 8.290 nan 0.000 0.586 165 K N 1.746 122.125 120.400 -0.033 0.000 3.001 165 K HA 0.411 4.731 4.320 -0.001 0.000 0.257 165 K C 0.599 177.066 176.600 -0.221 0.000 1.290 165 K CA 0.149 56.396 56.287 -0.066 0.000 1.252 165 K CB -0.375 32.103 32.500 -0.036 0.000 1.656 165 K HN 0.433 nan 8.250 nan 0.000 0.351 166 Q N 1.546 121.100 119.800 -0.411 0.000 2.307 166 Q HA 0.096 4.436 4.340 -0.001 0.000 0.261 166 Q C -0.816 174.721 176.000 -0.773 0.000 1.051 166 Q CA 0.424 55.723 55.803 -0.839 0.000 0.911 166 Q CB 0.798 28.538 28.738 -1.664 0.000 1.227 166 Q HN 0.328 nan 8.270 nan 0.000 0.418 167 E N 2.391 122.242 120.200 -0.583 0.000 2.316 167 E HA 0.187 4.536 4.350 -0.001 0.000 0.254 167 E C -1.125 175.040 176.600 -0.725 0.000 0.902 167 E CA -0.360 55.727 56.400 -0.521 0.000 0.801 167 E CB 1.712 31.153 29.700 -0.432 0.000 1.270 167 E HN 0.383 nan 8.360 nan 0.000 0.414 168 T N 2.585 116.858 114.554 -0.468 0.000 2.814 168 T HA 0.162 4.512 4.350 -0.001 0.000 0.297 168 T C -0.398 174.131 174.700 -0.286 0.000 0.956 168 T CA 0.234 62.112 62.100 -0.370 0.000 1.123 168 T CB 0.073 68.836 68.868 -0.175 0.000 0.902 168 T HN 0.279 nan 8.240 nan 0.000 0.528 169 Y N 3.724 123.960 120.300 -0.105 0.000 2.402 169 Y HA 0.305 4.854 4.550 -0.001 0.000 0.332 169 Y C -2.141 173.699 175.900 -0.100 0.000 0.960 169 Y CA -2.878 55.168 58.100 -0.089 0.000 1.228 169 Y CB 1.144 39.550 38.460 -0.090 0.000 1.120 169 Y HN 0.483 nan 8.280 nan 0.000 0.491 170 P HA 0.143 nan 4.420 nan 0.000 0.272 170 P C -0.857 176.442 177.300 -0.001 0.000 1.230 170 P CA -0.049 63.063 63.100 0.020 0.000 0.788 170 P CB 0.937 32.654 31.700 0.029 0.000 0.949 171 L N 3.011 124.217 121.223 -0.028 0.000 2.381 171 L HA 0.444 4.783 4.340 -0.001 0.000 0.274 171 L C -2.158 174.700 176.870 -0.019 0.000 0.988 171 L CA -2.309 52.508 54.840 -0.039 0.000 0.824 171 L CB 2.019 44.029 42.059 -0.082 0.000 1.263 171 L HN 0.249 nan 8.230 nan 0.000 0.410 172 P HA 0.118 nan 4.420 nan 0.000 0.268 172 P C -2.514 174.786 177.300 0.001 0.000 1.204 172 P CA -0.946 62.152 63.100 -0.003 0.000 0.768 172 P CB -0.208 31.489 31.700 -0.004 0.000 0.842 173 P HA -0.128 nan 4.420 nan 0.000 0.264 173 P C 1.025 178.333 177.300 0.013 0.000 1.173 173 P CA 1.240 64.349 63.100 0.015 0.000 0.761 173 P CB -0.080 31.630 31.700 0.018 0.000 0.794 174 G N 0.874 109.685 108.800 0.019 0.000 2.184 174 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.264 174 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.264 174 G C -0.006 174.904 174.900 0.018 0.000 0.975 174 G CA 0.054 45.165 45.100 0.020 0.000 0.642 174 G HN 0.584 nan 8.290 nan 0.000 0.536 175 V N 1.087 121.009 119.914 0.013 0.000 2.439 175 V HA 0.550 4.669 4.120 -0.001 0.000 0.282 175 V C 0.167 176.272 176.094 0.018 0.000 1.039 175 V CA -0.477 61.829 62.300 0.009 0.000 0.913 175 V CB 1.789 33.610 31.823 -0.004 0.000 0.983 175 V HN 0.356 nan 8.190 nan 0.000 0.460 176 D N 3.318 123.737 120.400 0.031 0.000 2.210 176 D HA 0.596 5.235 4.640 -0.001 0.000 0.249 176 D C 0.119 176.454 176.300 0.059 0.000 1.062 176 D CA -0.046 53.992 54.000 0.062 0.000 0.891 176 D CB 1.877 42.711 40.800 0.057 0.000 1.186 176 D HN 0.741 nan 8.370 nan 0.000 0.432 177 A N 2.870 125.759 122.820 0.116 0.000 2.271 177 A HA 0.462 4.782 4.320 -0.001 0.000 0.288 177 A C 0.536 178.177 177.584 0.095 0.000 1.094 177 A CA -0.450 51.647 52.037 0.101 0.000 0.828 177 A CB 0.415 19.516 19.000 0.169 0.000 1.091 177 A HN 0.676 nan 8.150 nan 0.000 0.493 178 L N 0.818 122.079 121.223 0.063 0.000 2.872 178 L HA 0.283 4.622 4.340 -0.001 0.000 0.245 178 L C -0.759 176.138 176.870 0.046 0.000 1.211 178 L CA 0.110 54.975 54.840 0.041 0.000 1.013 178 L CB -0.150 41.919 42.059 0.016 0.000 1.326 178 L HN 0.343 nan 8.230 nan 0.000 0.525 179 V N -0.719 119.245 119.914 0.083 0.000 2.971 179 V HA 0.378 4.498 4.120 -0.001 0.000 0.309 179 V C -0.242 175.900 176.094 0.080 0.000 1.130 179 V CA -1.125 61.219 62.300 0.074 0.000 0.964 179 V CB 2.858 34.731 31.823 0.083 0.000 1.029 179 V HN 0.024 nan 8.190 nan 0.000 0.427 180 K N 1.238 121.642 120.400 0.006 0.000 2.126 180 K HA 0.229 4.549 4.320 -0.001 0.000 0.257 180 K C 0.668 177.213 176.600 -0.090 0.000 1.007 180 K CA -0.438 55.802 56.287 -0.078 0.000 0.928 180 K CB 0.892 33.345 32.500 -0.079 0.000 1.013 180 K HN 0.658 nan 8.250 nan 0.000 0.473 181 D N 1.195 121.442 120.400 -0.254 0.000 2.242 181 D HA -0.188 4.452 4.640 -0.001 0.000 0.190 181 D C 0.980 177.256 176.300 -0.039 0.000 1.012 181 D CA 1.858 55.720 54.000 -0.230 0.000 0.875 181 D CB 0.054 40.707 40.800 -0.245 0.000 0.922 181 D HN 0.821 nan 8.370 nan 0.000 0.448 182 G N -0.177 108.593 108.800 -0.049 0.000 4.543 182 G HA2 0.144 4.104 3.960 -0.001 0.000 0.286 182 G HA3 0.144 4.104 3.960 -0.001 0.000 0.286 182 G C -0.257 174.623 174.900 -0.033 0.000 1.112 182 G CA -0.400 44.685 45.100 -0.025 0.000 0.870 182 G HN 0.161 nan 8.290 nan 0.000 0.540 183 E N 0.921 121.108 120.200 -0.022 0.000 2.366 183 E HA 0.177 4.527 4.350 -0.001 0.000 0.266 183 E C -0.324 176.263 176.600 -0.021 0.000 1.051 183 E CA -0.379 56.007 56.400 -0.024 0.000 0.884 183 E CB 0.781 30.473 29.700 -0.012 0.000 1.006 183 E HN 0.264 nan 8.360 nan 0.000 0.417 184 E N 2.172 122.352 120.200 -0.033 0.000 2.351 184 E HA 0.115 4.464 4.350 -0.001 0.000 0.266 184 E C -0.858 175.734 176.600 -0.013 0.000 1.031 184 E CA -0.188 56.191 56.400 -0.034 0.000 0.911 184 E CB 1.223 30.896 29.700 -0.044 0.000 0.986 184 E HN 0.208 nan 8.360 nan 0.000 0.446 185 V N 4.126 124.038 119.914 -0.003 0.000 2.628 185 V HA 0.319 4.438 4.120 -0.001 0.000 0.306 185 V C 0.096 176.198 176.094 0.014 0.000 1.045 185 V CA -0.829 61.478 62.300 0.013 0.000 0.905 185 V CB 1.935 33.779 31.823 0.035 0.000 0.997 185 V HN 0.376 nan 8.190 nan 0.000 0.436 186 V N 2.727 122.649 119.914 0.013 0.000 2.850 186 V HA 0.412 4.531 4.120 -0.001 0.000 0.315 186 V C 0.278 176.383 176.094 0.018 0.000 1.064 186 V CA -1.230 61.078 62.300 0.013 0.000 0.979 186 V CB 1.847 33.673 31.823 0.005 0.000 1.039 186 V HN 0.885 nan 8.190 nan 0.000 0.452 187 K N 1.876 122.288 120.400 0.021 0.000 2.405 187 K HA 0.246 4.565 4.320 -0.001 0.000 0.276 187 K C 1.012 177.616 176.600 0.007 0.000 1.099 187 K CA 1.199 57.499 56.287 0.022 0.000 1.120 187 K CB -0.602 31.912 32.500 0.023 0.000 0.877 187 K HN 1.155 nan 8.250 nan 0.000 0.472 188 G N 2.708 111.505 108.800 -0.004 0.000 2.218 188 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.216 188 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.216 188 G C -0.029 174.851 174.900 -0.033 0.000 0.994 188 G CA 0.101 45.187 45.100 -0.023 0.000 0.637 188 G HN 0.667 nan 8.290 nan 0.000 0.505 189 Q N 1.034 120.820 119.800 -0.023 0.000 2.332 189 Q HA 0.374 4.713 4.340 -0.001 0.000 0.263 189 Q C -0.104 175.868 176.000 -0.046 0.000 0.979 189 Q CA -0.065 55.724 55.803 -0.024 0.000 0.885 189 Q CB 0.304 29.039 28.738 -0.005 0.000 1.218 189 Q HN 0.473 nan 8.270 nan 0.000 0.405 190 E N 4.173 124.346 120.200 -0.044 0.000 2.166 190 E HA 0.003 4.353 4.350 -0.001 0.000 0.279 190 E C 0.277 176.853 176.600 -0.040 0.000 1.095 190 E CA -0.074 56.291 56.400 -0.059 0.000 0.888 190 E CB 0.641 30.314 29.700 -0.045 0.000 1.041 190 E HN 0.681 nan 8.360 nan 0.000 0.414 191 L N 2.666 123.854 121.223 -0.058 0.000 2.599 191 L HA 0.156 4.495 4.340 -0.001 0.000 0.230 191 L C 0.445 177.308 176.870 -0.012 0.000 1.141 191 L CA 0.158 54.991 54.840 -0.012 0.000 0.877 191 L CB 0.071 42.139 42.059 0.014 0.000 1.009 191 L HN 0.543 nan 8.230 nan 0.000 0.447 192 A N -1.719 121.080 122.820 -0.035 0.000 2.489 192 A HA 0.354 4.673 4.320 -0.001 0.000 0.293 192 A C -2.257 175.305 177.584 -0.038 0.000 1.004 192 A CA -0.716 51.304 52.037 -0.027 0.000 0.626 192 A CB -0.055 18.923 19.000 -0.037 0.000 1.345 192 A HN -0.198 nan 8.150 nan 0.000 0.447 193 P HA -0.194 nan 4.420 nan 0.000 0.214 193 P C 1.524 178.800 177.300 -0.041 0.000 1.169 193 P CA 2.789 65.873 63.100 -0.028 0.000 0.908 193 P CB -0.099 31.590 31.700 -0.018 0.000 0.791 194 G N -0.202 108.571 108.800 -0.045 0.000 2.411 194 G HA2 0.027 3.987 3.960 -0.001 0.000 0.213 194 G HA3 0.027 3.987 3.960 -0.001 0.000 0.213 194 G C 0.655 175.503 174.900 -0.086 0.000 1.166 194 G CA 0.192 45.260 45.100 -0.054 0.000 0.802 194 G HN 0.213 nan 8.290 nan 0.000 0.533 195 V N 0.550 120.398 119.914 -0.109 0.000 2.732 195 V HA 0.498 4.617 4.120 -0.001 0.000 0.297 195 V C -0.169 175.785 176.094 -0.233 0.000 1.060 195 V CA -0.503 61.679 62.300 -0.196 0.000 1.038 195 V CB 1.654 33.359 31.823 -0.196 0.000 1.003 195 V HN -0.010 nan 8.190 nan 0.000 0.481 196 V N 2.362 122.059 119.914 -0.361 0.000 2.668 196 V HA 0.293 4.412 4.120 -0.001 0.000 0.304 196 V C 0.045 175.854 176.094 -0.475 0.000 1.071 196 V CA -0.403 61.713 62.300 -0.305 0.000 0.894 196 V CB 2.000 33.713 31.823 -0.182 0.000 1.008 196 V HN 0.900 nan 8.190 nan 0.000 0.425 197 S N 2.914 118.425 115.700 -0.315 0.000 2.573 197 S HA 0.262 4.731 4.470 -0.001 0.000 0.277 197 S C 1.107 175.694 174.600 -0.022 0.000 1.346 197 S CA -0.104 58.020 58.200 -0.127 0.000 1.034 197 S CB 0.448 63.713 63.200 0.107 0.000 0.879 197 S HN 0.711 nan 8.310 nan 0.000 0.528 198 R N 1.006 121.601 120.500 0.157 0.000 2.437 198 R HA 0.382 4.722 4.340 -0.001 0.000 0.257 198 R C -0.634 175.722 176.300 0.093 0.000 0.927 198 R CA 0.026 56.189 56.100 0.106 0.000 1.078 198 R CB 0.265 30.649 30.300 0.140 0.000 1.161 198 R HN 0.421 nan 8.270 nan 0.000 0.529 199 L N 0.086 121.372 121.223 0.106 0.000 2.568 199 L HA 0.257 4.597 4.340 -0.001 0.000 0.257 199 L C -1.416 175.486 176.870 0.053 0.000 1.024 199 L CA -0.851 54.027 54.840 0.064 0.000 0.854 199 L CB 2.467 44.556 42.059 0.050 0.000 1.460 199 L HN -0.074 nan 8.230 nan 0.000 0.409 200 D N 0.992 121.413 120.400 0.035 0.000 2.339 200 D HA 0.620 5.260 4.640 -0.001 0.000 0.245 200 D C 0.227 176.537 176.300 0.016 0.000 1.115 200 D CA 0.362 54.377 54.000 0.025 0.000 0.917 200 D CB 1.684 42.496 40.800 0.020 0.000 1.192 200 D HN 0.795 nan 8.370 nan 0.000 0.428 201 G N -0.665 108.139 108.800 0.006 0.000 2.403 201 G HA2 0.190 4.149 3.960 -0.001 0.000 0.223 201 G HA3 0.190 4.149 3.960 -0.001 0.000 0.223 201 G C -1.762 173.126 174.900 -0.020 0.000 1.287 201 G CA -0.656 44.439 45.100 -0.008 0.000 0.982 201 G HN 0.443 nan 8.290 nan 0.000 0.471 202 V N 1.378 121.276 119.914 -0.027 0.000 2.409 202 V HA 0.701 4.820 4.120 -0.001 0.000 0.291 202 V C 0.733 176.816 176.094 -0.017 0.000 1.020 202 V CA -0.039 62.244 62.300 -0.029 0.000 0.848 202 V CB 1.024 32.823 31.823 -0.041 0.000 0.990 202 V HN 1.662 nan 8.190 nan 0.000 0.430 203 A N 7.118 129.942 122.820 0.007 0.000 2.409 203 A HA 0.728 5.048 4.320 -0.001 0.000 0.267 203 A C -0.395 177.216 177.584 0.047 0.000 1.127 203 A CA -0.089 51.966 52.037 0.031 0.000 0.795 203 A CB -0.035 19.010 19.000 0.074 0.000 1.061 203 A HN 0.802 nan 8.150 nan 0.000 0.502 204 L N 1.832 123.069 121.223 0.023 0.000 2.346 204 L HA 0.471 4.811 4.340 -0.001 0.000 0.274 204 L C -1.034 175.883 176.870 0.078 0.000 1.007 204 L CA -0.898 53.970 54.840 0.046 0.000 0.818 204 L CB 1.252 43.302 42.059 -0.015 0.000 1.284 204 L HN 0.606 nan 8.230 nan 0.000 0.424 205 Y N 1.880 122.116 120.300 -0.106 0.000 2.313 205 Y HA 0.342 4.891 4.550 -0.001 0.000 0.332 205 Y C 0.242 175.998 175.900 -0.241 0.000 1.071 205 Y CA -0.396 57.620 58.100 -0.140 0.000 1.169 205 Y CB 1.180 39.587 38.460 -0.089 0.000 1.192 205 Y HN 0.347 nan 8.280 nan 0.000 0.487 206 R N 6.075 126.358 120.500 -0.362 0.000 2.239 206 R HA 0.296 4.636 4.340 -0.001 0.000 0.332 206 R C -0.673 175.076 176.300 -0.919 0.000 0.988 206 R CA -0.515 55.044 56.100 -0.901 0.000 0.859 206 R CB 0.042 29.691 30.300 -1.086 0.000 1.148 206 R HN 0.812 nan 8.270 nan 0.000 0.482 392 S N -0.737 114.814 115.700 -0.247 0.000 2.567 392 S HA 0.755 5.224 4.470 -0.001 0.000 0.270 392 S C -1.349 173.036 174.600 -0.358 0.000 1.152 392 S CA -0.553 57.502 58.200 -0.242 0.000 0.835 392 S CB 0.975 64.075 63.200 -0.166 0.000 1.115 392 S HN 0.642 nan 8.310 nan 0.000 0.459 393 I N 1.897 122.318 120.570 -0.249 0.000 2.465 393 I HA 0.424 4.593 4.170 -0.001 0.000 0.291 393 I C -1.204 174.786 176.117 -0.211 0.000 1.014 393 I CA -1.072 60.091 61.300 -0.228 0.000 1.093 393 I CB 1.889 39.807 38.000 -0.138 0.000 1.267 393 I HN 0.743 nan 8.210 nan 0.000 0.431 394 L N 6.748 127.837 121.223 -0.223 0.000 2.277 394 L HA 0.616 4.955 4.340 -0.001 0.000 0.284 394 L C -0.588 176.135 176.870 -0.246 0.000 1.028 394 L CA -0.252 54.413 54.840 -0.291 0.000 0.835 394 L CB 1.155 43.054 42.059 -0.267 0.000 1.215 394 L HN 0.264 nan 8.230 nan 0.000 0.425 395 V N 4.599 124.320 119.914 -0.321 0.000 2.881 395 V HA 0.542 4.661 4.120 -0.001 0.000 0.303 395 V C 0.117 176.085 176.094 -0.210 0.000 1.070 395 V CA 0.073 62.254 62.300 -0.199 0.000 1.074 395 V CB 1.831 33.569 31.823 -0.143 0.000 1.012 395 V HN 0.770 nan 8.190 nan 0.000 0.482 396 V N 2.371 122.214 119.914 -0.119 0.000 2.524 396 V HA 0.479 4.599 4.120 -0.001 0.000 0.297 396 V C -0.157 175.915 176.094 -0.036 0.000 1.035 396 V CA -1.232 61.013 62.300 -0.093 0.000 0.867 396 V CB 1.329 33.118 31.823 -0.057 0.000 1.004 396 V HN 0.781 nan 8.190 nan 0.000 0.426 397 K N 3.084 123.473 120.400 -0.018 0.000 1.925 397 K HA 0.480 4.800 4.320 -0.001 0.000 0.216 397 K C 0.130 176.752 176.600 0.037 0.000 1.159 397 K CA 0.825 57.121 56.287 0.016 0.000 1.219 397 K CB -0.496 32.023 32.500 0.032 0.000 1.143 397 K HN 1.159 nan 8.250 nan 0.000 0.258 398 A N 2.946 125.780 122.820 0.024 0.000 2.612 398 A HA 0.557 4.877 4.320 -0.001 0.000 0.293 398 A C -1.117 176.461 177.584 -0.011 0.000 1.075 398 A CA -1.053 51.010 52.037 0.044 0.000 0.680 398 A CB 1.162 20.196 19.000 0.058 0.000 1.279 398 A HN 0.404 nan 8.150 nan 0.000 0.411 399 R N -0.230 120.252 120.500 -0.030 0.000 2.553 399 R HA 0.658 4.997 4.340 -0.001 0.000 0.263 399 R C -0.833 175.210 176.300 -0.428 0.000 1.066 399 R CA -0.659 55.280 56.100 -0.269 0.000 1.135 399 R CB 1.562 31.618 30.300 -0.405 0.000 1.148 399 R HN 0.606 nan 8.270 nan 0.000 0.558 400 V N 2.376 121.950 119.914 -0.566 0.000 2.555 400 V HA 0.430 4.549 4.120 -0.001 0.000 0.302 400 V C -1.536 174.200 176.094 -0.597 0.000 1.038 400 V CA -0.647 61.411 62.300 -0.403 0.000 0.887 400 V CB 1.362 33.095 31.823 -0.150 0.000 0.991 400 V HN 0.562 nan 8.190 nan 0.000 0.434 401 Y N 6.021 126.362 120.300 0.069 0.000 2.376 401 Y HA 0.538 5.087 4.550 -0.001 0.000 0.326 401 Y C -2.448 173.538 175.900 0.144 0.000 0.970 401 Y CA -3.020 55.130 58.100 0.082 0.000 1.248 401 Y CB 1.379 39.882 38.460 0.072 0.000 1.117 401 Y HN 0.478 nan 8.280 nan 0.000 0.476 402 P HA 0.205 nan 4.420 nan 0.000 0.275 402 P C -0.998 176.420 177.300 0.196 0.000 1.227 402 P CA -0.204 62.965 63.100 0.115 0.000 0.781 402 P CB 0.441 32.139 31.700 -0.002 0.000 0.906 403 F N -0.081 119.895 119.950 0.043 0.000 2.539 403 F HA 0.519 5.045 4.527 -0.001 0.000 0.318 403 F C 0.746 176.557 175.800 0.018 0.000 1.135 403 F CA -0.712 57.307 58.000 0.031 0.000 0.915 403 F CB 1.525 40.544 39.000 0.032 0.000 1.176 403 F HN 0.180 nan 8.300 nan 0.000 0.440 404 E N 1.301 121.533 120.200 0.052 0.000 2.276 404 E HA 0.042 4.392 4.350 -0.001 0.000 0.193 404 E C -0.551 176.096 176.600 0.078 0.000 0.983 404 E CA 0.475 56.864 56.400 -0.018 0.000 0.861 404 E CB 0.120 29.818 29.700 -0.004 0.000 0.817 404 E HN 0.656 nan 8.360 nan 0.000 0.485 405 D N 1.294 121.806 120.400 0.186 0.000 2.326 405 D HA 0.155 4.795 4.640 -0.001 0.000 0.248 405 D C -0.145 176.334 176.300 0.297 0.000 1.001 405 D CA -0.590 53.519 54.000 0.182 0.000 0.961 405 D CB 0.751 41.615 40.800 0.107 0.000 1.183 405 D HN -0.212 nan 8.370 nan 0.000 0.502 406 D N -0.278 120.228 120.400 0.176 0.000 2.429 406 D HA 0.034 4.674 4.640 -0.001 0.000 0.233 406 D C 0.045 176.302 176.300 -0.071 0.000 1.202 406 D CA 0.245 54.308 54.000 0.106 0.000 0.879 406 D CB 0.447 41.273 40.800 0.045 0.000 1.212 406 D HN -0.032 nan 8.370 nan 0.000 0.465 407 V N 0.742 120.490 119.914 -0.275 0.000 2.607 407 V HA 0.123 4.242 4.120 -0.001 0.000 0.289 407 V C 1.332 177.292 176.094 -0.223 0.000 1.053 407 V CA -0.345 61.681 62.300 -0.457 0.000 0.996 407 V CB 1.447 32.895 31.823 -0.626 0.000 0.995 407 V HN 0.558 nan 8.190 nan 0.000 0.476 408 E N 2.036 122.121 120.200 -0.191 0.000 2.389 408 E HA 0.159 4.508 4.350 -0.001 0.000 0.199 408 E C 0.283 176.819 176.600 -0.106 0.000 0.978 408 E CA 0.076 56.406 56.400 -0.116 0.000 0.912 408 E CB 0.828 30.474 29.700 -0.090 0.000 0.907 408 E HN 0.649 nan 8.360 nan 0.000 0.494 409 V N 1.000 120.835 119.914 -0.133 0.000 3.036 409 V HA 0.290 4.410 4.120 -0.001 0.000 0.308 409 V C 0.226 176.268 176.094 -0.086 0.000 1.070 409 V CA -0.319 61.922 62.300 -0.097 0.000 1.056 409 V CB 1.573 33.336 31.823 -0.100 0.000 1.084 409 V HN 0.232 nan 8.190 nan 0.000 0.471 410 S N 0.726 116.396 115.700 -0.050 0.000 2.566 410 S HA 0.462 4.931 4.470 -0.001 0.000 0.298 410 S C -0.357 174.235 174.600 -0.013 0.000 1.083 410 S CA -0.606 57.574 58.200 -0.033 0.000 0.978 410 S CB 1.687 64.873 63.200 -0.023 0.000 1.073 410 S HN 0.673 nan 8.310 nan 0.000 0.491 411 T N 2.402 116.956 114.554 0.000 0.000 2.829 411 T HA 0.494 4.843 4.350 -0.001 0.000 0.293 411 T C 1.453 176.161 174.700 0.015 0.000 0.970 411 T CA 1.025 63.136 62.100 0.017 0.000 1.168 411 T CB -0.025 68.861 68.868 0.030 0.000 0.911 411 T HN 1.585 nan 8.240 nan 0.000 0.535 412 G N 3.799 112.610 108.800 0.019 0.000 2.436 412 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.204 412 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.204 412 G C -0.028 174.875 174.900 0.005 0.000 1.026 412 G CA -0.516 44.590 45.100 0.010 0.000 0.658 412 G HN 0.633 nan 8.290 nan 0.000 0.499 413 D N 1.320 121.723 120.400 0.005 0.000 2.390 413 D HA 0.454 5.093 4.640 -0.001 0.000 0.236 413 D C 0.876 177.194 176.300 0.030 0.000 1.189 413 D CA 0.404 54.407 54.000 0.006 0.000 0.887 413 D CB 0.571 41.374 40.800 0.004 0.000 1.198 413 D HN 0.246 nan 8.370 nan 0.000 0.444 414 R N 0.075 120.596 120.500 0.035 0.000 2.540 414 R HA 0.615 4.955 4.340 -0.001 0.000 0.287 414 R C -0.649 175.837 176.300 0.311 0.000 0.980 414 R CA -0.627 55.545 56.100 0.120 0.000 0.966 414 R CB 1.491 31.674 30.300 -0.195 0.000 1.106 414 R HN 0.094 nan 8.270 nan 0.000 0.480 415 V N 1.144 121.306 119.914 0.414 0.000 2.962 415 V HA 0.879 4.998 4.120 -0.001 0.000 0.313 415 V C -0.595 175.409 176.094 -0.150 0.000 1.099 415 V CA -0.792 61.594 62.300 0.142 0.000 0.971 415 V CB 2.113 33.934 31.823 -0.003 0.000 1.028 415 V HN 0.909 nan 8.190 nan 0.000 0.430 416 A N 3.698 126.290 122.820 -0.380 0.000 2.437 416 A HA 0.990 5.309 4.320 -0.001 0.000 0.292 416 A C -3.010 174.202 177.584 -0.620 0.000 1.173 416 A CA -2.103 49.450 52.037 -0.808 0.000 0.785 416 A CB 1.700 20.212 19.000 -0.813 0.000 1.351 416 A HN 0.618 nan 8.150 nan 0.000 0.431 417 P HA 0.323 nan 4.420 nan 0.000 0.261 417 P C 0.869 178.000 177.300 -0.281 0.000 1.203 417 P CA 1.982 64.830 63.100 -0.421 0.000 0.767 417 P CB 0.567 32.042 31.700 -0.375 0.000 0.785 418 G N 3.065 111.735 108.800 -0.216 0.000 2.491 418 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.203 418 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.203 418 G C 0.126 174.933 174.900 -0.155 0.000 1.052 418 G CA -0.304 44.702 45.100 -0.158 0.000 0.675 418 G HN 0.564 nan 8.290 nan 0.000 0.504 419 D N 1.580 121.875 120.400 -0.176 0.000 2.752 419 D HA 0.307 4.946 4.640 -0.001 0.000 0.225 419 D C 1.127 177.335 176.300 -0.152 0.000 1.104 419 D CA 0.592 54.505 54.000 -0.145 0.000 0.832 419 D CB 0.804 41.518 40.800 -0.143 0.000 1.161 419 D HN 0.385 nan 8.370 nan 0.000 0.505 420 V N 5.098 124.942 119.914 -0.116 0.000 2.843 420 V HA 0.027 4.146 4.120 -0.001 0.000 0.305 420 V C 1.376 177.388 176.094 -0.137 0.000 1.065 420 V CA 0.195 62.427 62.300 -0.114 0.000 1.116 420 V CB 1.201 32.976 31.823 -0.080 0.000 0.968 420 V HN 0.584 nan 8.190 nan 0.000 0.487 421 L N 2.225 123.357 121.223 -0.152 0.000 2.758 421 L HA 0.630 4.969 4.340 -0.001 0.000 0.234 421 L C 0.560 177.311 176.870 -0.198 0.000 1.049 421 L CA 0.794 55.527 54.840 -0.178 0.000 0.908 421 L CB 0.635 42.564 42.059 -0.217 0.000 1.362 421 L HN 0.790 nan 8.230 nan 0.000 0.499 422 A N -1.239 121.495 122.820 -0.142 0.000 2.544 422 A HA 0.428 4.747 4.320 -0.001 0.000 0.291 422 A C -1.139 176.435 177.584 -0.015 0.000 1.055 422 A CA -0.268 51.685 52.037 -0.141 0.000 0.651 422 A CB 0.732 19.551 19.000 -0.301 0.000 1.296 422 A HN 0.083 nan 8.150 nan 0.000 0.431 423 D N -0.342 120.073 120.400 0.026 0.000 2.723 423 D HA 0.022 4.662 4.640 -0.001 0.000 0.236 423 D C 0.945 177.256 176.300 0.018 0.000 1.138 423 D CA 3.119 57.151 54.000 0.052 0.000 0.676 423 D CB -1.115 39.737 40.800 0.088 0.000 1.069 423 D HN 2.397 nan 8.370 nan 0.000 0.430 424 G N -0.576 108.222 108.800 -0.003 0.000 2.569 424 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.259 424 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.259 424 G C 1.104 175.993 174.900 -0.019 0.000 1.263 424 G CA 0.451 45.545 45.100 -0.011 0.000 0.928 424 G HN 0.910 nan 8.290 nan 0.000 0.572 425 G N -0.198 108.591 108.800 -0.018 0.000 2.956 425 G HA2 0.233 4.193 3.960 -0.001 0.000 0.207 425 G HA3 0.233 4.193 3.960 -0.001 0.000 0.207 425 G C 1.300 176.189 174.900 -0.019 0.000 1.162 425 G CA 1.458 46.543 45.100 -0.026 0.000 0.796 425 G HN 0.795 nan 8.290 nan 0.000 0.527 426 K N -0.293 120.105 120.400 -0.004 0.000 1.984 426 K HA -0.001 4.319 4.320 -0.001 0.000 0.209 426 K C 0.663 177.271 176.600 0.013 0.000 1.046 426 K CA 0.634 56.927 56.287 0.010 0.000 0.934 426 K CB -0.062 32.453 32.500 0.026 0.000 0.717 426 K HN 0.099 nan 8.250 nan 0.000 0.438 427 V N 3.266 123.190 119.914 0.017 0.000 2.356 427 V HA 0.126 4.245 4.120 -0.001 0.000 0.258 427 V C -0.501 175.550 176.094 -0.071 0.000 1.065 427 V CA -0.070 62.242 62.300 0.019 0.000 0.935 427 V CB 0.662 32.529 31.823 0.074 0.000 1.061 427 V HN 0.224 nan 8.190 nan 0.000 0.484 428 K N 2.644 122.985 120.400 -0.100 0.000 2.208 428 K HA 0.609 4.929 4.320 -0.001 0.000 0.247 428 K C -0.013 176.368 176.600 -0.365 0.000 0.953 428 K CA -0.501 55.674 56.287 -0.187 0.000 0.837 428 K CB 2.078 34.507 32.500 -0.118 0.000 1.131 428 K HN 0.521 nan 8.250 nan 0.000 0.431 429 S N 0.107 115.528 115.700 -0.465 0.000 2.632 429 S HA 0.103 4.572 4.470 -0.001 0.000 0.267 429 S C -0.101 174.334 174.600 -0.275 0.000 1.276 429 S CA -0.337 57.468 58.200 -0.657 0.000 0.998 429 S CB 0.450 63.351 63.200 -0.498 0.000 0.953 429 S HN 0.588 nan 8.310 nan 0.000 0.547 430 D N 0.288 120.641 120.400 -0.078 0.000 2.500 430 D HA 0.251 4.890 4.640 -0.001 0.000 0.218 430 D C -0.551 175.729 176.300 -0.033 0.000 1.140 430 D CA 0.436 54.437 54.000 0.001 0.000 0.830 430 D CB 0.980 41.859 40.800 0.131 0.000 1.055 430 D HN 0.287 nan 8.370 nan 0.000 0.512 431 V N 0.478 120.375 119.914 -0.028 0.000 3.130 431 V HA 0.353 4.473 4.120 -0.001 0.000 0.310 431 V C -0.797 175.242 176.094 -0.091 0.000 1.158 431 V CA -1.110 61.184 62.300 -0.010 0.000 1.029 431 V CB 1.554 33.453 31.823 0.127 0.000 1.057 431 V HN -0.121 nan 8.190 nan 0.000 0.436 432 Y N 1.043 121.307 120.300 -0.060 0.000 2.346 432 Y HA 0.660 5.210 4.550 -0.001 0.000 0.330 432 Y C 0.980 176.933 175.900 0.089 0.000 1.178 432 Y CA 1.117 59.154 58.100 -0.105 0.000 1.331 432 Y CB 0.992 39.356 38.460 -0.160 0.000 1.253 432 Y HN 1.041 nan 8.280 nan 0.000 0.529 433 G N 1.936 110.947 108.800 0.352 0.000 2.328 433 G HA2 0.208 4.168 3.960 -0.001 0.000 0.299 433 G HA3 0.208 4.168 3.960 -0.001 0.000 0.299 433 G C -1.553 173.486 174.900 0.231 0.000 1.435 433 G CA -1.281 43.988 45.100 0.282 0.000 0.865 433 G HN 0.422 nan 8.290 nan 0.000 0.601 434 R N -1.145 119.451 120.500 0.160 0.000 2.738 434 R HA 0.639 4.978 4.340 -0.001 0.000 0.275 434 R C -0.405 175.954 176.300 0.099 0.000 1.121 434 R CA -0.235 55.930 56.100 0.109 0.000 1.207 434 R CB 1.187 31.537 30.300 0.084 0.000 1.141 434 R HN 0.370 nan 8.270 nan 0.000 0.571 435 V N 1.175 121.132 119.914 0.071 0.000 2.823 435 V HA 0.316 4.435 4.120 -0.001 0.000 0.312 435 V C -0.907 175.222 176.094 0.058 0.000 1.072 435 V CA -0.631 61.706 62.300 0.062 0.000 0.937 435 V CB 2.163 34.005 31.823 0.032 0.000 1.013 435 V HN 0.729 nan 8.190 nan 0.000 0.430 436 E N 2.550 122.790 120.200 0.067 0.000 2.316 436 E HA 0.346 4.695 4.350 -0.001 0.000 0.254 436 E C -1.335 175.312 176.600 0.077 0.000 0.902 436 E CA -0.534 55.907 56.400 0.067 0.000 0.801 436 E CB 2.248 31.989 29.700 0.068 0.000 1.270 436 E HN 0.379 nan 8.360 nan 0.000 0.414 437 V N 3.000 122.951 119.914 0.063 0.000 2.223 437 V HA 0.006 4.125 4.120 -0.001 0.000 0.249 437 V C 0.245 176.417 176.094 0.129 0.000 1.233 437 V CA -0.177 62.171 62.300 0.079 0.000 1.131 437 V CB -0.092 31.740 31.823 0.015 0.000 1.298 437 V HN 0.651 nan 8.190 nan 0.000 0.498 438 D N 4.171 124.664 120.400 0.155 0.000 2.338 438 D HA 0.139 4.779 4.640 -0.001 0.000 0.255 438 D C 0.386 176.790 176.300 0.174 0.000 1.237 438 D CA -0.304 53.777 54.000 0.136 0.000 0.883 438 D CB 1.559 42.418 40.800 0.100 0.000 1.087 438 D HN 0.390 nan 8.370 nan 0.000 0.485 439 L N 3.797 125.108 121.223 0.147 0.000 2.728 439 L HA 0.109 4.448 4.340 -0.001 0.000 0.235 439 L C 1.547 178.457 176.870 0.068 0.000 1.197 439 L CA -0.149 54.776 54.840 0.141 0.000 0.992 439 L CB 0.342 42.489 42.059 0.146 0.000 1.263 439 L HN 0.232 nan 8.230 nan 0.000 0.484 440 V N -0.812 119.134 119.914 0.053 0.000 3.125 440 V HA 0.070 4.190 4.120 -0.001 0.000 0.249 440 V C 1.780 177.865 176.094 -0.015 0.000 1.113 440 V CA 0.827 63.144 62.300 0.029 0.000 1.106 440 V CB -0.229 31.625 31.823 0.051 0.000 0.768 440 V HN 0.487 nan 8.190 nan 0.000 0.468 441 R N -0.287 120.197 120.500 -0.027 0.000 2.565 441 R HA 0.308 4.647 4.340 -0.001 0.000 0.347 441 R C 0.199 176.421 176.300 -0.131 0.000 1.010 441 R CA -0.289 55.767 56.100 -0.074 0.000 1.126 441 R CB 0.010 30.275 30.300 -0.060 0.000 1.331 441 R HN 0.294 nan 8.270 nan 0.000 0.552 442 N N 1.188 119.795 118.700 -0.155 0.000 2.669 442 N HA -0.176 4.564 4.740 -0.001 0.000 0.266 442 N C -1.410 173.744 175.510 -0.594 0.000 1.024 442 N CA 0.728 53.520 53.050 -0.431 0.000 0.766 442 N CB -0.432 37.771 38.487 -0.472 0.000 0.898 442 N HN 0.180 nan 8.380 nan 0.000 0.548 443 V N -0.174 119.694 119.914 -0.077 0.000 3.147 443 V HA 0.690 4.809 4.120 -0.001 0.000 0.306 443 V C -1.026 175.366 176.094 0.496 0.000 1.209 443 V CA -0.723 61.690 62.300 0.187 0.000 1.023 443 V CB 2.580 34.436 31.823 0.055 0.000 1.059 443 V HN -0.131 nan 8.190 nan 0.000 0.435 444 V N 6.150 126.350 119.914 0.477 0.000 2.407 444 V HA 0.583 4.702 4.120 -0.001 0.000 0.291 444 V C -0.011 176.279 176.094 0.327 0.000 1.018 444 V CA -0.646 61.843 62.300 0.316 0.000 0.842 444 V CB 1.599 33.526 31.823 0.174 0.000 0.996 444 V HN 0.930 nan 8.190 nan 0.000 0.426 445 R N 3.914 124.550 120.500 0.227 0.000 2.540 445 R HA 0.730 5.069 4.340 -0.001 0.000 0.287 445 R C -1.515 174.934 176.300 0.248 0.000 0.980 445 R CA -0.596 55.637 56.100 0.221 0.000 0.966 445 R CB 1.903 32.263 30.300 0.099 0.000 1.106 445 R HN 0.347 nan 8.270 nan 0.000 0.480 446 V N 4.731 124.859 119.914 0.356 0.000 2.220 446 V HA 0.082 4.201 4.120 -0.001 0.000 0.265 446 V C 0.380 176.591 176.094 0.195 0.000 1.078 446 V CA -0.834 61.626 62.300 0.266 0.000 0.872 446 V CB 0.901 32.892 31.823 0.280 0.000 1.121 446 V HN 0.677 nan 8.190 nan 0.000 0.460 447 V N 1.770 121.767 119.914 0.138 0.000 2.625 447 V HA 0.050 4.170 4.120 -0.001 0.000 0.305 447 V C 1.246 177.418 176.094 0.131 0.000 1.055 447 V CA 0.248 62.612 62.300 0.108 0.000 1.209 447 V CB 0.102 31.980 31.823 0.092 0.000 0.877 447 V HN 0.877 nan 8.190 nan 0.000 0.489 448 E N 2.516 122.787 120.200 0.118 0.000 2.452 448 E HA -0.043 4.306 4.350 -0.001 0.000 0.209 448 E C 0.136 176.829 176.600 0.155 0.000 1.228 448 E CA 0.450 56.932 56.400 0.136 0.000 0.968 448 E CB 0.009 29.773 29.700 0.107 0.000 0.947 448 E HN 0.871 nan 8.360 nan 0.000 0.564 449 S N 0.391 116.188 115.700 0.162 0.000 2.707 449 S HA 0.198 4.667 4.470 -0.001 0.000 0.312 449 S C -0.680 174.050 174.600 0.216 0.000 1.116 449 S CA -0.714 57.587 58.200 0.168 0.000 1.078 449 S CB 0.782 64.052 63.200 0.117 0.000 0.997 449 S HN 0.207 nan 8.310 nan 0.000 0.477 450 Y N 2.703 123.070 120.300 0.112 0.000 2.262 450 Y HA 0.193 4.742 4.550 -0.001 0.000 0.368 450 Y C 0.731 176.680 175.900 0.081 0.000 1.352 450 Y CA -0.612 57.562 58.100 0.123 0.000 1.760 450 Y CB 0.251 38.837 38.460 0.210 0.000 1.627 450 Y HN 0.497 nan 8.280 nan 0.000 0.606 451 D N 2.451 122.343 120.400 -0.847 0.000 2.497 451 D HA -0.061 4.578 4.640 -0.001 0.000 0.285 451 D C -0.583 175.570 176.300 -0.246 0.000 1.452 451 D CA 0.892 54.501 54.000 -0.652 0.000 1.132 451 D CB -0.748 39.447 40.800 -1.008 0.000 1.132 451 D HN 0.428 nan 8.370 nan 0.000 0.555 452 I N 2.553 123.067 120.570 -0.093 0.000 2.382 452 I HA 0.137 4.306 4.170 -0.001 0.000 0.286 452 I C -0.888 175.237 176.117 0.013 0.000 1.002 452 I CA -0.912 60.387 61.300 -0.003 0.000 1.135 452 I CB 1.073 39.118 38.000 0.075 0.000 1.288 452 I HN -0.043 nan 8.210 nan 0.000 0.448 453 D N 7.608 128.000 120.400 -0.014 0.000 2.277 453 D HA 0.658 5.297 4.640 -0.001 0.000 0.249 453 D C -0.383 175.886 176.300 -0.053 0.000 1.134 453 D CA 0.089 54.073 54.000 -0.027 0.000 0.863 453 D CB 1.697 42.474 40.800 -0.040 0.000 1.143 453 D HN 0.666 nan 8.370 nan 0.000 0.458 454 A N 2.570 125.330 122.820 -0.099 0.000 2.594 454 A HA 0.901 5.220 4.320 -0.001 0.000 0.295 454 A C -0.865 176.561 177.584 -0.263 0.000 1.071 454 A CA -0.882 51.008 52.037 -0.246 0.000 0.685 454 A CB 1.464 20.151 19.000 -0.521 0.000 1.285 454 A HN 0.489 nan 8.150 nan 0.000 0.405 455 R N -0.558 119.787 120.500 -0.258 0.000 2.907 455 R HA 0.500 4.839 4.340 -0.001 0.000 0.246 455 R C -0.891 175.317 176.300 -0.153 0.000 1.082 455 R CA -0.097 55.890 56.100 -0.187 0.000 1.003 455 R CB 1.516 31.741 30.300 -0.126 0.000 1.261 455 R HN 1.213 nan 8.270 nan 0.000 0.474 456 M N 0.462 119.985 119.600 -0.128 0.000 2.691 456 M HA 0.904 5.384 4.480 -0.001 0.000 0.293 456 M C 0.313 176.557 176.300 -0.093 0.000 1.259 456 M CA 0.567 55.807 55.300 -0.098 0.000 0.827 456 M CB 2.355 34.905 32.600 -0.083 0.000 1.753 456 M HN 0.701 nan 8.290 nan 0.000 0.465 457 G N 0.810 109.558 108.800 -0.087 0.000 2.578 457 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.232 457 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.232 457 G C 0.467 175.260 174.900 -0.177 0.000 1.176 457 G CA 0.355 45.390 45.100 -0.109 0.000 0.968 457 G HN 1.738 nan 8.290 nan 0.000 0.583 458 A N 0.190 122.883 122.820 -0.211 0.000 2.172 458 A HA 0.237 4.556 4.320 -0.001 0.000 0.216 458 A C 1.983 179.464 177.584 -0.172 0.000 1.154 458 A CA 2.305 54.189 52.037 -0.256 0.000 0.701 458 A CB -0.463 18.398 19.000 -0.231 0.000 0.789 458 A HN 0.896 nan 8.150 nan 0.000 0.465 459 E N 0.117 120.236 120.200 -0.135 0.000 2.150 459 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 459 E C 1.941 178.476 176.600 -0.109 0.000 0.985 459 E CA 0.916 57.251 56.400 -0.108 0.000 0.814 459 E CB -0.199 29.443 29.700 -0.097 0.000 0.752 459 E HN 0.561 nan 8.360 nan 0.000 0.466 460 A N 0.691 123.441 122.820 -0.117 0.000 2.014 460 A HA -0.069 4.250 4.320 -0.001 0.000 0.218 460 A C 1.893 179.411 177.584 -0.110 0.000 1.163 460 A CA 0.772 52.749 52.037 -0.100 0.000 0.652 460 A CB -0.147 18.809 19.000 -0.074 0.000 0.808 460 A HN 0.302 nan 8.150 nan 0.000 0.449 461 I N -0.711 119.767 120.570 -0.154 0.000 2.731 461 I HA -0.078 4.091 4.170 -0.001 0.000 0.260 461 I C 2.393 178.439 176.117 -0.119 0.000 1.138 461 I CA 1.249 62.456 61.300 -0.155 0.000 1.461 461 I CB -1.549 36.295 38.000 -0.260 0.000 1.128 461 I HN 0.487 nan 8.210 nan 0.000 0.438 462 Q N 1.294 121.026 119.800 -0.113 0.000 2.112 462 Q HA -0.230 4.110 4.340 -0.001 0.000 0.206 462 Q C 2.226 178.175 176.000 -0.085 0.000 0.987 462 Q CA 1.917 57.668 55.803 -0.086 0.000 0.858 462 Q CB 0.053 28.751 28.738 -0.068 0.000 0.905 462 Q HN 0.405 nan 8.270 nan 0.000 0.420 463 Q N -0.092 119.658 119.800 -0.084 0.000 2.049 463 Q HA -0.084 4.255 4.340 -0.001 0.000 0.198 463 Q C 2.294 178.246 176.000 -0.080 0.000 0.971 463 Q CA 1.184 56.940 55.803 -0.078 0.000 0.833 463 Q CB -0.209 28.484 28.738 -0.075 0.000 0.896 463 Q HN 0.465 nan 8.270 nan 0.000 0.434 464 L N 0.472 121.649 121.223 -0.078 0.000 2.127 464 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 464 L C 2.445 179.264 176.870 -0.085 0.000 1.089 464 L CA 0.721 55.519 54.840 -0.070 0.000 0.757 464 L CB -0.356 41.668 42.059 -0.058 0.000 0.899 464 L HN 0.192 nan 8.230 nan 0.000 0.434 465 L N -0.462 120.699 121.223 -0.104 0.000 2.044 465 L HA -0.215 4.124 4.340 -0.001 0.000 0.205 465 L C 2.610 179.376 176.870 -0.173 0.000 1.075 465 L CA 1.385 56.139 54.840 -0.143 0.000 0.747 465 L CB -0.076 41.890 42.059 -0.155 0.000 0.903 465 L HN 0.164 nan 8.230 nan 0.000 0.435 466 K N -0.099 120.211 120.400 -0.150 0.000 2.097 466 K HA -0.180 4.139 4.320 -0.001 0.000 0.205 466 K C 1.698 178.220 176.600 -0.130 0.000 1.050 466 K CA 1.483 57.677 56.287 -0.155 0.000 0.938 466 K CB 0.093 32.525 32.500 -0.113 0.000 0.718 466 K HN 0.376 nan 8.250 nan 0.000 0.442 467 E N 0.140 120.278 120.200 -0.103 0.000 2.511 467 E HA -0.021 4.328 4.350 -0.001 0.000 0.196 467 E C -0.279 176.270 176.600 -0.085 0.000 1.066 467 E CA 0.086 56.436 56.400 -0.083 0.000 0.871 467 E CB 0.186 29.846 29.700 -0.066 0.000 0.863 467 E HN 0.198 nan 8.360 nan 0.000 0.520 468 L N 1.685 122.845 121.223 -0.105 0.000 2.276 468 L HA 0.172 4.512 4.340 -0.001 0.000 0.286 468 L C -0.046 176.761 176.870 -0.105 0.000 1.061 468 L CA -0.512 54.271 54.840 -0.095 0.000 0.807 468 L CB 0.996 42.996 42.059 -0.099 0.000 1.177 468 L HN -0.097 nan 8.230 nan 0.000 0.429 469 D N 4.403 124.757 120.400 -0.076 0.000 2.479 469 D HA 0.158 4.797 4.640 -0.001 0.000 0.218 469 D C 1.319 177.585 176.300 -0.056 0.000 1.131 469 D CA -0.233 53.725 54.000 -0.070 0.000 0.916 469 D CB 1.021 41.790 40.800 -0.051 0.000 1.022 469 D HN 0.425 nan 8.370 nan 0.000 0.515 470 L N 2.257 123.439 121.223 -0.068 0.000 2.103 470 L HA -0.243 4.097 4.340 -0.001 0.000 0.215 470 L C 2.055 178.917 176.870 -0.013 0.000 1.080 470 L CA 1.078 55.895 54.840 -0.040 0.000 0.764 470 L CB -0.486 41.547 42.059 -0.043 0.000 0.890 470 L HN 0.353 nan 8.230 nan 0.000 0.435 471 E N 0.656 120.847 120.200 -0.016 0.000 2.058 471 E HA -0.236 4.113 4.350 -0.001 0.000 0.194 471 E C 2.364 178.960 176.600 -0.006 0.000 0.997 471 E CA 1.567 57.964 56.400 -0.005 0.000 0.801 471 E CB -0.314 29.381 29.700 -0.009 0.000 0.746 471 E HN 0.549 nan 8.360 nan 0.000 0.450 472 A N 1.274 124.085 122.820 -0.014 0.000 1.865 472 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 472 A C 2.374 179.952 177.584 -0.011 0.000 1.191 472 A CA 1.647 53.675 52.037 -0.015 0.000 0.623 472 A CB -0.809 18.179 19.000 -0.020 0.000 0.826 472 A HN 0.173 nan 8.150 nan 0.000 0.444 473 L N -0.148 121.069 121.223 -0.010 0.000 2.201 473 L HA -0.136 4.204 4.340 -0.001 0.000 0.212 473 L C 2.453 179.328 176.870 0.008 0.000 1.105 473 L CA 1.756 56.595 54.840 -0.002 0.000 0.775 473 L CB -0.501 41.557 42.059 -0.002 0.000 0.913 473 L HN 0.602 nan 8.230 nan 0.000 0.440 474 E N 0.459 120.666 120.200 0.011 0.000 2.031 474 E HA -0.273 4.076 4.350 -0.001 0.000 0.193 474 E C 2.039 178.647 176.600 0.013 0.000 0.994 474 E CA 1.374 57.787 56.400 0.021 0.000 0.800 474 E CB 0.183 29.898 29.700 0.025 0.000 0.752 474 E HN 0.296 nan 8.360 nan 0.000 0.447 475 K N 1.034 121.436 120.400 0.004 0.000 2.002 475 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 475 K C 2.093 178.685 176.600 -0.013 0.000 1.048 475 K CA 1.732 58.016 56.287 -0.005 0.000 0.930 475 K CB -0.395 32.099 32.500 -0.010 0.000 0.714 475 K HN 0.214 nan 8.250 nan 0.000 0.438 476 E N 0.497 120.688 120.200 -0.014 0.000 2.086 476 E HA -0.244 4.106 4.350 -0.001 0.000 0.200 476 E C 1.784 178.375 176.600 -0.015 0.000 1.012 476 E CA 1.483 57.871 56.400 -0.020 0.000 0.812 476 E CB -0.128 29.564 29.700 -0.013 0.000 0.743 476 E HN 0.207 nan 8.360 nan 0.000 0.453 477 L N 0.446 121.669 121.223 0.001 0.000 2.141 477 L HA -0.161 4.179 4.340 -0.001 0.000 0.209 477 L C 2.520 179.399 176.870 0.014 0.000 1.094 477 L CA 0.602 55.449 54.840 0.012 0.000 0.763 477 L CB -0.381 41.693 42.059 0.025 0.000 0.908 477 L HN 0.313 nan 8.230 nan 0.000 0.437 478 L N -0.483 120.745 121.223 0.010 0.000 2.042 478 L HA -0.227 4.112 4.340 -0.001 0.000 0.210 478 L C 2.592 179.469 176.870 0.012 0.000 1.076 478 L CA 1.446 56.296 54.840 0.016 0.000 0.749 478 L CB -0.644 41.421 42.059 0.010 0.000 0.893 478 L HN 0.352 nan 8.230 nan 0.000 0.432 479 E N 0.276 120.451 120.200 -0.041 0.000 2.028 479 E HA -0.244 4.105 4.350 -0.001 0.000 0.190 479 E C 2.027 178.594 176.600 -0.055 0.000 0.984 479 E CA 1.186 57.502 56.400 -0.141 0.000 0.800 479 E CB -0.150 29.424 29.700 -0.211 0.000 0.758 479 E HN 0.462 nan 8.360 nan 0.000 0.448 480 E N 1.306 121.494 120.200 -0.020 0.000 2.118 480 E HA -0.196 4.153 4.350 -0.001 0.000 0.195 480 E C 2.094 178.726 176.600 0.053 0.000 0.992 480 E CA 1.176 57.587 56.400 0.018 0.000 0.804 480 E CB -0.106 29.601 29.700 0.011 0.000 0.741 480 E HN 0.155 nan 8.360 nan 0.000 0.458 481 M N -0.178 119.455 119.600 0.055 0.000 2.077 481 M HA -0.120 4.359 4.480 -0.001 0.000 0.261 481 M C 2.271 178.620 176.300 0.082 0.000 1.070 481 M CA 1.551 56.888 55.300 0.060 0.000 1.125 481 M CB 0.027 32.657 32.600 0.051 0.000 1.339 481 M HN -0.026 nan 8.290 nan 0.000 0.409 482 K N -1.564 118.916 120.400 0.134 0.000 2.379 482 K HA -0.066 4.253 4.320 -0.001 0.000 0.194 482 K C 1.161 177.833 176.600 0.119 0.000 1.031 482 K CA 0.610 56.969 56.287 0.121 0.000 1.037 482 K CB 0.296 32.867 32.500 0.117 0.000 0.824 482 K HN 0.391 nan 8.250 nan 0.000 0.516 483 H N -0.141 118.930 119.070 0.002 0.000 2.334 483 H HA 0.172 4.728 4.556 -0.001 0.000 0.315 483 H C -1.445 173.883 175.328 0.001 0.000 1.056 483 H CA 0.086 56.135 56.048 0.001 0.000 1.418 483 H CB -1.201 28.561 29.762 0.001 0.000 1.464 483 H HN 0.098 nan 8.280 nan 0.000 0.587 484 P HA 0.067 nan 4.420 nan 0.000 0.280 484 P C 0.094 177.416 177.300 0.037 0.000 1.278 484 P CA 0.044 63.183 63.100 0.066 0.000 0.787 484 P CB 0.569 32.301 31.700 0.054 0.000 1.163 485 S N -0.622 115.093 115.700 0.024 0.000 2.617 485 S HA 0.129 4.599 4.470 -0.001 0.000 0.259 485 S C 1.399 176.008 174.600 0.015 0.000 1.301 485 S CA -0.432 57.777 58.200 0.014 0.000 0.984 485 S CB 0.171 63.377 63.200 0.010 0.000 0.954 485 S HN 0.264 nan 8.310 nan 0.000 0.572 486 R N 0.365 120.871 120.500 0.010 0.000 2.241 486 R HA -0.117 4.222 4.340 -0.001 0.000 0.224 486 R C 2.152 178.460 176.300 0.014 0.000 1.101 486 R CA 0.998 57.105 56.100 0.011 0.000 0.995 486 R CB -0.485 29.819 30.300 0.006 0.000 0.870 486 R HN 0.667 nan 8.270 nan 0.000 0.463 487 A N 1.769 124.596 122.820 0.013 0.000 1.841 487 A HA -0.201 4.119 4.320 -0.001 0.000 0.214 487 A C 2.048 179.642 177.584 0.016 0.000 1.195 487 A CA 1.535 53.580 52.037 0.013 0.000 0.611 487 A CB -0.324 18.683 19.000 0.012 0.000 0.835 487 A HN 0.383 nan 8.150 nan 0.000 0.443 488 R N -0.059 120.452 120.500 0.018 0.000 2.210 488 R HA 0.024 4.363 4.340 -0.001 0.000 0.203 488 R C 2.129 178.443 176.300 0.024 0.000 1.010 488 R CA 0.862 56.974 56.100 0.020 0.000 1.008 488 R CB -0.394 29.917 30.300 0.019 0.000 0.923 488 R HN 0.612 nan 8.270 nan 0.000 0.469 489 R N 1.371 121.887 120.500 0.027 0.000 2.075 489 R HA 0.065 4.404 4.340 -0.001 0.000 0.232 489 R C 2.209 178.527 176.300 0.030 0.000 1.126 489 R CA 1.341 57.460 56.100 0.032 0.000 0.963 489 R CB -0.557 29.764 30.300 0.036 0.000 0.858 489 R HN 0.159 nan 8.270 nan 0.000 0.435 490 A N 1.979 124.815 122.820 0.026 0.000 1.865 490 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 490 A C 2.252 179.853 177.584 0.029 0.000 1.191 490 A CA 1.903 53.955 52.037 0.025 0.000 0.623 490 A CB -0.699 18.313 19.000 0.020 0.000 0.826 490 A HN 0.516 nan 8.150 nan 0.000 0.444 491 K N -0.334 120.082 120.400 0.027 0.000 2.074 491 K HA -0.170 4.149 4.320 -0.001 0.000 0.209 491 K C 2.098 178.718 176.600 0.033 0.000 1.048 491 K CA 1.554 57.859 56.287 0.029 0.000 0.926 491 K CB -0.383 32.132 32.500 0.025 0.000 0.713 491 K HN 0.376 nan 8.250 nan 0.000 0.444 492 A N 1.627 124.466 122.820 0.032 0.000 1.933 492 A HA -0.205 4.115 4.320 -0.001 0.000 0.218 492 A C 2.030 179.638 177.584 0.040 0.000 1.175 492 A CA 1.837 53.894 52.037 0.034 0.000 0.628 492 A CB -0.596 18.423 19.000 0.031 0.000 0.814 492 A HN 0.540 nan 8.150 nan 0.000 0.444 493 R N 0.380 120.905 120.500 0.040 0.000 2.073 493 R HA -0.089 4.250 4.340 -0.001 0.000 0.234 493 R C 1.919 178.249 176.300 0.051 0.000 1.134 493 R CA 2.338 58.465 56.100 0.045 0.000 0.952 493 R CB -0.672 29.653 30.300 0.042 0.000 0.850 493 R HN 0.406 nan 8.270 nan 0.000 0.433 494 K N 0.039 120.469 120.400 0.050 0.000 2.211 494 K HA -0.056 4.264 4.320 -0.001 0.000 0.203 494 K C 2.197 178.834 176.600 0.063 0.000 1.050 494 K CA 1.245 57.566 56.287 0.056 0.000 0.945 494 K CB -0.062 32.469 32.500 0.051 0.000 0.732 494 K HN 0.234 nan 8.250 nan 0.000 0.451 495 R N 0.416 120.951 120.500 0.058 0.000 2.236 495 R HA -0.024 4.316 4.340 -0.001 0.000 0.208 495 R C 1.875 178.216 176.300 0.068 0.000 1.036 495 R CA 0.551 56.688 56.100 0.063 0.000 1.001 495 R CB 0.065 30.395 30.300 0.051 0.000 0.896 495 R HN 0.235 nan 8.270 nan 0.000 0.464 496 L N 0.397 121.658 121.223 0.063 0.000 2.375 496 L HA 0.048 4.388 4.340 -0.001 0.000 0.215 496 L C 2.129 179.043 176.870 0.073 0.000 1.108 496 L CA 0.765 55.643 54.840 0.065 0.000 0.830 496 L CB 0.029 42.121 42.059 0.055 0.000 0.959 496 L HN 0.192 nan 8.230 nan 0.000 0.457 497 E N -0.640 119.604 120.200 0.073 0.000 2.072 497 E HA -0.192 4.157 4.350 -0.001 0.000 0.191 497 E C 2.022 178.663 176.600 0.068 0.000 0.985 497 E CA 1.689 58.132 56.400 0.072 0.000 0.801 497 E CB 0.111 29.854 29.700 0.072 0.000 0.750 497 E HN 0.352 nan 8.360 nan 0.000 0.452 498 V N 0.491 120.455 119.914 0.083 0.000 2.295 498 V HA -0.257 3.863 4.120 -0.001 0.000 0.246 498 V C 2.436 178.629 176.094 0.165 0.000 1.049 498 V CA 1.617 63.970 62.300 0.089 0.000 1.024 498 V CB -0.680 31.231 31.823 0.148 0.000 0.648 498 V HN 0.219 nan 8.190 nan 0.000 0.447 499 V N -0.172 119.853 119.914 0.186 0.000 2.287 499 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 499 V C 2.692 178.894 176.094 0.179 0.000 1.053 499 V CA 1.815 64.240 62.300 0.208 0.000 1.027 499 V CB -0.978 30.915 31.823 0.116 0.000 0.646 499 V HN 0.387 nan 8.190 nan 0.000 0.447 500 R N 0.873 121.442 120.500 0.115 0.000 2.127 500 R HA -0.179 4.160 4.340 -0.001 0.000 0.228 500 R C 2.575 178.928 176.300 0.087 0.000 1.125 500 R CA 2.008 58.163 56.100 0.091 0.000 0.904 500 R CB -1.597 28.748 30.300 0.075 0.000 0.831 500 R HN 0.512 nan 8.270 nan 0.000 0.431 501 A N 0.646 123.491 122.820 0.041 0.000 1.954 501 A HA -0.246 4.073 4.320 -0.001 0.000 0.222 501 A C 2.365 179.936 177.584 -0.022 0.000 1.199 501 A CA 2.005 54.029 52.037 -0.021 0.000 0.657 501 A CB -0.990 17.949 19.000 -0.103 0.000 0.823 501 A HN 0.357 nan 8.150 nan 0.000 0.463 502 F N -0.511 119.460 119.950 0.036 0.000 2.075 502 F HA -0.135 4.391 4.527 -0.001 0.000 0.297 502 F C 2.253 178.056 175.800 0.005 0.000 1.113 502 F CA 1.546 59.553 58.000 0.011 0.000 1.218 502 F CB -0.231 38.756 39.000 -0.023 0.000 0.984 502 F HN 0.130 nan 8.300 nan 0.000 0.472 503 L N -0.748 120.617 121.223 0.236 0.000 2.056 503 L HA -0.208 4.132 4.340 -0.001 0.000 0.207 503 L C 2.061 178.991 176.870 0.099 0.000 1.078 503 L CA 0.907 55.824 54.840 0.127 0.000 0.749 503 L CB -0.785 41.328 42.059 0.090 0.000 0.901 503 L HN 0.085 nan 8.230 nan 0.000 0.433 504 D N 0.444 120.899 120.400 0.092 0.000 2.156 504 D HA -0.186 4.453 4.640 -0.001 0.000 0.190 504 D C 2.205 178.547 176.300 0.070 0.000 0.998 504 D CA 2.127 56.170 54.000 0.072 0.000 0.842 504 D CB -0.143 40.694 40.800 0.063 0.000 0.974 504 D HN 0.227 nan 8.370 nan 0.000 0.447 505 S N -0.715 115.028 115.700 0.072 0.000 2.527 505 S HA 0.326 4.796 4.470 -0.001 0.000 0.222 505 S C 1.421 176.076 174.600 0.092 0.000 0.985 505 S CA 0.562 58.806 58.200 0.072 0.000 0.921 505 S CB 1.131 64.366 63.200 0.058 0.000 0.772 505 S HN 0.584 nan 8.310 nan 0.000 0.529 506 G N 2.528 111.394 108.800 0.109 0.000 2.938 506 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.234 506 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.234 506 G C -0.613 174.384 174.900 0.161 0.000 1.707 506 G CA -0.551 44.619 45.100 0.118 0.000 1.299 506 G HN 0.311 nan 8.290 nan 0.000 0.515 507 N N 2.316 121.132 118.700 0.193 0.000 1.660 507 N HA -0.085 4.654 4.740 -0.001 0.000 0.338 507 N C 0.585 176.256 175.510 0.269 0.000 1.283 507 N CA 1.066 54.278 53.050 0.269 0.000 0.804 507 N CB 0.051 38.722 38.487 0.307 0.000 1.049 507 N HN 0.485 nan 8.380 nan 0.000 0.511 508 R N 3.470 123.975 120.500 0.008 0.000 2.459 508 R HA 0.140 4.479 4.340 -0.001 0.000 0.281 508 R C -1.115 174.709 176.300 -0.794 0.000 1.050 508 R CA -1.528 54.354 56.100 -0.363 0.000 1.055 508 R CB 0.738 30.759 30.300 -0.465 0.000 1.045 508 R HN 0.394 nan 8.270 nan 0.000 0.495 509 P HA -0.104 nan 4.420 nan 0.000 0.236 509 P C -0.388 176.445 177.300 -0.780 0.000 1.172 509 P CA 1.040 63.294 63.100 -1.410 0.000 0.759 509 P CB 0.336 30.855 31.700 -1.969 0.000 0.843 510 E N -1.237 118.416 120.200 -0.912 0.000 2.481 510 E HA -0.055 4.294 4.350 -0.001 0.000 0.195 510 E C 1.498 178.035 176.600 -0.104 0.000 1.047 510 E CA 0.632 56.695 56.400 -0.560 0.000 0.867 510 E CB -0.765 28.548 29.700 -0.644 0.000 0.858 510 E HN 0.533 nan 8.360 nan 0.000 0.513 511 W N 0.072 121.302 121.300 -0.117 0.000 2.658 511 W HA 0.116 4.776 4.660 -0.001 0.000 0.263 511 W C 1.761 178.243 176.519 -0.061 0.000 1.274 511 W CA -0.372 56.934 57.345 -0.065 0.000 1.343 511 W CB -0.150 29.302 29.460 -0.013 0.000 1.106 511 W HN 0.049 nan 8.180 nan 0.000 0.615 512 M N 0.441 120.089 119.600 0.080 0.000 2.337 512 M HA -0.140 4.340 4.480 -0.001 0.000 0.261 512 M C 0.341 176.683 176.300 0.070 0.000 1.067 512 M CA 1.375 56.649 55.300 -0.042 0.000 1.074 512 M CB -0.446 32.042 32.600 -0.187 0.000 1.395 512 M HN -0.119 nan 8.290 nan 0.000 0.431 513 I N -0.178 120.432 120.570 0.066 0.000 2.440 513 I HA 0.229 4.398 4.170 -0.001 0.000 0.294 513 I C -0.404 175.738 176.117 0.041 0.000 0.995 513 I CA -0.382 60.943 61.300 0.041 0.000 1.306 513 I CB 0.956 38.957 38.000 0.002 0.000 1.407 513 I HN -0.030 nan 8.210 nan 0.000 0.501 514 L N 5.746 126.972 121.223 0.005 0.000 2.280 514 L HA 0.352 4.692 4.340 -0.001 0.000 0.287 514 L C 0.766 177.619 176.870 -0.027 0.000 1.023 514 L CA 0.080 54.909 54.840 -0.019 0.000 0.819 514 L CB 0.778 42.811 42.059 -0.043 0.000 1.212 514 L HN 0.891 nan 8.230 nan 0.000 0.420 515 E N 3.635 123.817 120.200 -0.030 0.000 2.572 515 E HA 0.346 4.695 4.350 -0.001 0.000 0.220 515 E C -0.248 176.330 176.600 -0.036 0.000 0.945 515 E CA -0.260 56.120 56.400 -0.033 0.000 1.070 515 E CB 1.013 30.696 29.700 -0.029 0.000 1.090 515 E HN 0.451 nan 8.360 nan 0.000 0.506 516 A N 1.284 124.080 122.820 -0.040 0.000 2.414 516 A HA 0.518 4.837 4.320 -0.001 0.000 0.286 516 A C -0.843 176.731 177.584 -0.017 0.000 1.073 516 A CA -0.684 51.337 52.037 -0.026 0.000 0.727 516 A CB 1.607 20.592 19.000 -0.024 0.000 1.215 516 A HN 0.095 nan 8.150 nan 0.000 0.430 517 V N 2.767 122.684 119.914 0.006 0.000 2.333 517 V HA 0.403 4.523 4.120 -0.001 0.000 0.274 517 V C -2.546 173.596 176.094 0.079 0.000 1.028 517 V CA -2.069 60.256 62.300 0.042 0.000 0.851 517 V CB 0.956 32.822 31.823 0.073 0.000 1.000 517 V HN 0.719 nan 8.190 nan 0.000 0.456 518 P HA 0.194 nan 4.420 nan 0.000 0.271 518 P C -0.427 176.962 177.300 0.148 0.000 1.220 518 P CA 0.002 63.201 63.100 0.165 0.000 0.768 518 P CB 0.798 32.650 31.700 0.254 0.000 0.848 519 V N 4.845 124.783 119.914 0.040 0.000 2.439 519 V HA 0.173 4.292 4.120 -0.001 0.000 0.282 519 V C 0.626 176.688 176.094 -0.053 0.000 1.039 519 V CA -0.759 61.386 62.300 -0.259 0.000 0.913 519 V CB 1.173 32.745 31.823 -0.417 0.000 0.983 519 V HN 0.418 nan 8.190 nan 0.000 0.460 520 L N 8.213 129.452 121.223 0.026 0.000 2.461 520 L HA 0.400 4.740 4.340 -0.001 0.000 0.272 520 L C -2.107 174.640 176.870 -0.205 0.000 1.197 520 L CA -0.918 53.941 54.840 0.033 0.000 0.836 520 L CB 0.282 42.420 42.059 0.133 0.000 1.105 520 L HN 0.433 nan 8.230 nan 0.000 0.477 521 P HA -0.032 nan 4.420 nan 0.000 0.271 521 P C -2.222 174.731 177.300 -0.579 0.000 1.212 521 P CA -0.370 62.504 63.100 -0.376 0.000 0.788 521 P CB 0.029 31.661 31.700 -0.114 0.000 0.865 522 P HA -0.113 nan 4.420 nan 0.000 0.214 522 P C 0.994 178.141 177.300 -0.255 0.000 1.162 522 P CA 1.421 64.015 63.100 -0.843 0.000 0.871 522 P CB 0.029 31.333 31.700 -0.660 0.000 0.783 523 D N -0.968 119.385 120.400 -0.078 0.000 2.117 523 D HA -0.074 4.565 4.640 -0.001 0.000 0.198 523 D C 1.929 178.243 176.300 0.024 0.000 0.982 523 D CA 0.944 54.970 54.000 0.043 0.000 0.828 523 D CB -0.544 40.279 40.800 0.038 0.000 0.967 523 D HN -0.055 nan 8.370 nan 0.000 0.464 524 L N 0.981 122.191 121.223 -0.021 0.000 2.021 524 L HA -0.179 4.160 4.340 -0.001 0.000 0.215 524 L C 1.659 178.532 176.870 0.006 0.000 1.074 524 L CA 1.335 56.169 54.840 -0.010 0.000 0.760 524 L CB -0.676 41.365 42.059 -0.030 0.000 0.889 524 L HN 0.067 nan 8.230 nan 0.000 0.433 525 R N 0.424 120.922 120.500 -0.003 0.000 3.570 525 R HA 0.250 4.590 4.340 -0.001 0.000 0.233 525 R C -2.665 173.722 176.300 0.146 0.000 1.492 525 R CA -2.175 53.954 56.100 0.049 0.000 1.504 525 R CB -1.018 29.303 30.300 0.036 0.000 1.314 525 R HN 0.087 nan 8.270 nan 0.000 0.687 526 P HA -0.143 nan 4.420 nan 0.000 0.257 526 P C -0.519 176.880 177.300 0.164 0.000 1.153 526 P CA 0.419 63.603 63.100 0.141 0.000 0.762 526 P CB 0.216 31.952 31.700 0.061 0.000 0.743 527 M N 5.601 125.302 119.600 0.167 0.000 2.152 527 M HA 0.284 4.764 4.480 -0.001 0.000 0.354 527 M C -1.280 174.987 176.300 -0.054 0.000 1.173 527 M CA -0.277 55.030 55.300 0.012 0.000 1.110 527 M CB 0.184 32.575 32.600 -0.348 0.000 1.366 527 M HN -0.001 nan 8.290 nan 0.000 0.415 528 V N 3.184 123.017 119.914 -0.136 0.000 2.960 528 V HA 0.438 4.558 4.120 -0.001 0.000 0.315 528 V C -0.418 175.257 176.094 -0.698 0.000 1.087 528 V CA -0.921 61.204 62.300 -0.292 0.000 0.982 528 V CB 2.319 34.046 31.823 -0.160 0.000 1.039 528 V HN 0.615 nan 8.190 nan 0.000 0.437 529 Q N 0.741 120.103 119.800 -0.730 0.000 2.314 529 Q HA 0.397 4.737 4.340 -0.001 0.000 0.257 529 Q C 0.037 175.795 176.000 -0.405 0.000 0.975 529 Q CA -0.216 55.070 55.803 -0.861 0.000 0.933 529 Q CB 1.504 29.917 28.738 -0.541 0.000 1.195 529 Q HN 0.655 nan 8.270 nan 0.000 0.426 530 V N 2.557 122.281 119.914 -0.317 0.000 2.504 530 V HA 0.165 4.285 4.120 -0.001 0.000 0.215 530 V C 0.171 176.218 176.094 -0.078 0.000 1.123 530 V CA 0.509 62.725 62.300 -0.139 0.000 1.143 530 V CB 0.233 32.013 31.823 -0.072 0.000 0.743 530 V HN 0.729 nan 8.190 nan 0.000 0.494 531 D N -1.720 118.664 120.400 -0.027 0.000 2.934 531 D HA 0.457 5.097 4.640 -0.001 0.000 0.230 531 D C 0.577 176.894 176.300 0.027 0.000 1.204 531 D CA 0.636 54.633 54.000 -0.004 0.000 0.873 531 D CB 2.026 42.824 40.800 -0.003 0.000 1.645 531 D HN 0.558 nan 8.370 nan 0.000 0.502 532 G N 1.619 110.437 108.800 0.030 0.000 2.270 532 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.268 532 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.268 532 G C 0.942 175.890 174.900 0.079 0.000 0.982 532 G CA 0.832 45.959 45.100 0.045 0.000 0.628 532 G HN 1.370 nan 8.290 nan 0.000 0.544 533 G N -1.502 107.365 108.800 0.112 0.000 2.234 533 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.153 533 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.153 533 G C 0.205 175.307 174.900 0.338 0.000 1.013 533 G CA 0.455 45.692 45.100 0.228 0.000 0.712 533 G HN 0.853 nan 8.290 nan 0.000 0.491 534 R N -0.427 120.191 120.500 0.197 0.000 2.590 534 R HA 0.531 4.871 4.340 -0.001 0.000 0.274 534 R C -0.810 175.646 176.300 0.259 0.000 1.061 534 R CA 0.263 56.485 56.100 0.204 0.000 1.081 534 R CB 0.356 30.707 30.300 0.087 0.000 0.984 534 R HN 0.069 nan 8.270 nan 0.000 0.448 535 F N 0.620 120.567 119.950 -0.005 0.000 2.493 535 F HA 0.448 4.974 4.527 -0.001 0.000 0.329 535 F C -0.099 175.697 175.800 -0.008 0.000 1.126 535 F CA -0.804 57.189 58.000 -0.012 0.000 0.937 535 F CB 2.065 41.051 39.000 -0.024 0.000 1.146 535 F HN 0.535 nan 8.300 nan 0.000 0.442 536 A N 2.500 125.347 122.820 0.045 0.000 2.287 536 A HA 0.678 4.998 4.320 -0.001 0.000 0.317 536 A C -0.418 177.202 177.584 0.060 0.000 1.220 536 A CA -0.530 51.534 52.037 0.045 0.000 0.835 536 A CB 1.109 20.110 19.000 0.001 0.000 1.180 536 A HN 0.635 nan 8.150 nan 0.000 0.500 537 T N 1.067 115.676 114.554 0.092 0.000 2.893 537 T HA 0.531 4.880 4.350 -0.001 0.000 0.291 537 T C 0.185 174.950 174.700 0.108 0.000 1.028 537 T CA -0.212 61.963 62.100 0.125 0.000 0.995 537 T CB 1.205 70.173 68.868 0.166 0.000 1.051 537 T HN 0.947 nan 8.240 nan 0.000 0.470 538 S N 2.627 118.395 115.700 0.113 0.000 2.560 538 S HA 0.080 4.550 4.470 -0.001 0.000 0.284 538 S C 0.933 175.575 174.600 0.070 0.000 1.327 538 S CA -0.093 58.152 58.200 0.075 0.000 1.055 538 S CB 0.067 63.303 63.200 0.060 0.000 0.868 538 S HN 0.770 nan 8.310 nan 0.000 0.506 539 D N 3.078 123.502 120.400 0.040 0.000 2.172 539 D HA -0.154 4.485 4.640 -0.001 0.000 0.196 539 D C 1.656 177.958 176.300 0.003 0.000 0.999 539 D CA 1.062 55.076 54.000 0.024 0.000 0.856 539 D CB -0.255 40.550 40.800 0.008 0.000 0.934 539 D HN 0.465 nan 8.370 nan 0.000 0.453 540 L N 0.935 122.146 121.223 -0.020 0.000 2.129 540 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 540 L C 1.578 178.413 176.870 -0.059 0.000 1.087 540 L CA 1.619 56.389 54.840 -0.115 0.000 0.757 540 L CB -0.515 41.481 42.059 -0.105 0.000 0.896 540 L HN 0.052 nan 8.230 nan 0.000 0.434 541 N N -0.085 118.681 118.700 0.109 0.000 2.084 541 N HA -0.189 4.551 4.740 -0.001 0.000 0.190 541 N C 1.384 176.985 175.510 0.152 0.000 1.030 541 N CA 1.747 54.924 53.050 0.212 0.000 0.849 541 N CB -0.430 38.192 38.487 0.224 0.000 1.012 541 N HN 0.439 nan 8.380 nan 0.000 0.423 542 D N 1.175 121.626 120.400 0.085 0.000 2.123 542 D HA -0.102 4.537 4.640 -0.001 0.000 0.196 542 D C 2.172 178.498 176.300 0.044 0.000 0.992 542 D CA 0.545 54.582 54.000 0.062 0.000 0.833 542 D CB -0.455 40.369 40.800 0.040 0.000 0.954 542 D HN 0.258 nan 8.370 nan 0.000 0.455 543 L N -0.574 120.642 121.223 -0.011 0.000 2.109 543 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 543 L C 2.313 179.172 176.870 -0.019 0.000 1.086 543 L CA 0.816 55.622 54.840 -0.057 0.000 0.760 543 L CB -0.334 41.627 42.059 -0.164 0.000 0.910 543 L HN 0.035 nan 8.230 nan 0.000 0.437 544 Y N 0.117 120.429 120.300 0.019 0.000 2.145 544 Y HA -0.233 4.316 4.550 -0.001 0.000 0.286 544 Y C 2.851 178.763 175.900 0.020 0.000 1.145 544 Y CA 1.240 59.348 58.100 0.013 0.000 1.148 544 Y CB -0.567 37.893 38.460 -0.000 0.000 0.981 544 Y HN 0.084 nan 8.280 nan 0.000 0.507 545 R N 0.778 121.401 120.500 0.204 0.000 2.096 545 R HA -0.207 4.133 4.340 -0.001 0.000 0.240 545 R C 2.260 178.617 176.300 0.094 0.000 1.139 545 R CA 1.677 57.852 56.100 0.126 0.000 0.952 545 R CB -0.179 30.180 30.300 0.100 0.000 0.854 545 R HN 0.312 nan 8.270 nan 0.000 0.436 546 R N 0.404 120.953 120.500 0.081 0.000 2.115 546 R HA -0.212 4.127 4.340 -0.001 0.000 0.239 546 R C 2.412 178.750 176.300 0.064 0.000 1.133 546 R CA 1.763 57.899 56.100 0.060 0.000 0.935 546 R CB -0.941 29.387 30.300 0.048 0.000 0.853 546 R HN 0.236 nan 8.270 nan 0.000 0.433 547 L N 1.644 122.916 121.223 0.081 0.000 1.970 547 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 547 L C 2.206 179.116 176.870 0.066 0.000 1.071 547 L CA 1.753 56.641 54.840 0.079 0.000 0.751 547 L CB -0.763 41.366 42.059 0.116 0.000 0.889 547 L HN 0.120 nan 8.230 nan 0.000 0.432 548 I N 0.009 120.627 120.570 0.080 0.000 2.118 548 I HA -0.365 3.805 4.170 -0.001 0.000 0.241 548 I C 2.456 178.594 176.117 0.035 0.000 1.070 548 I CA 1.795 63.125 61.300 0.049 0.000 1.327 548 I CB -1.783 36.247 38.000 0.050 0.000 1.034 548 I HN 0.487 nan 8.210 nan 0.000 0.405 549 N N 0.325 119.049 118.700 0.041 0.000 2.043 549 N HA -0.189 4.550 4.740 -0.001 0.000 0.193 549 N C 1.998 177.522 175.510 0.024 0.000 1.037 549 N CA 1.040 54.108 53.050 0.030 0.000 0.851 549 N CB 0.077 38.584 38.487 0.033 0.000 1.027 549 N HN 0.301 nan 8.380 nan 0.000 0.422 550 R N 1.259 121.776 120.500 0.028 0.000 2.097 550 R HA -0.135 4.204 4.340 -0.001 0.000 0.236 550 R C 1.905 178.213 176.300 0.014 0.000 1.135 550 R CA 1.240 57.354 56.100 0.023 0.000 0.934 550 R CB -1.486 28.832 30.300 0.029 0.000 0.846 550 R HN 0.340 nan 8.270 nan 0.000 0.431 551 N N 1.007 119.715 118.700 0.013 0.000 2.036 551 N HA -0.192 4.547 4.740 -0.001 0.000 0.195 551 N C 1.505 177.014 175.510 -0.003 0.000 1.037 551 N CA 2.007 55.058 53.050 0.001 0.000 0.855 551 N CB -0.494 37.992 38.487 -0.002 0.000 1.033 551 N HN 0.214 nan 8.380 nan 0.000 0.423 552 N N 0.099 118.799 118.700 0.000 0.000 2.025 552 N HA -0.169 4.570 4.740 -0.001 0.000 0.194 552 N C 1.744 177.253 175.510 -0.001 0.000 1.044 552 N CA 1.431 54.480 53.050 -0.002 0.000 0.851 552 N CB -0.223 38.264 38.487 0.001 0.000 1.036 552 N HN 0.296 nan 8.380 nan 0.000 0.422 553 R N 0.530 121.032 120.500 0.004 0.000 2.139 553 R HA -0.177 4.162 4.340 -0.001 0.000 0.243 553 R C 1.985 178.286 176.300 0.001 0.000 1.145 553 R CA 1.240 57.342 56.100 0.004 0.000 0.976 553 R CB -0.549 29.756 30.300 0.008 0.000 0.866 553 R HN 0.328 nan 8.270 nan 0.000 0.449 554 L N 1.472 122.694 121.223 -0.001 0.000 1.988 554 L HA -0.091 4.248 4.340 -0.001 0.000 0.207 554 L C 2.097 178.962 176.870 -0.008 0.000 1.071 554 L CA 1.982 56.819 54.840 -0.005 0.000 0.744 554 L CB -0.609 41.445 42.059 -0.009 0.000 0.893 554 L HN 0.004 nan 8.230 nan 0.000 0.433 555 K N 0.174 120.568 120.400 -0.011 0.000 2.052 555 K HA -0.252 4.068 4.320 -0.001 0.000 0.215 555 K C 2.078 178.672 176.600 -0.010 0.000 1.053 555 K CA 2.266 58.545 56.287 -0.013 0.000 0.934 555 K CB -0.301 32.191 32.500 -0.015 0.000 0.717 555 K HN 0.325 nan 8.250 nan 0.000 0.450 556 K N 0.048 120.444 120.400 -0.007 0.000 2.057 556 K HA -0.079 4.240 4.320 -0.001 0.000 0.207 556 K C 2.062 178.659 176.600 -0.005 0.000 1.049 556 K CA 1.285 57.568 56.287 -0.006 0.000 0.931 556 K CB -0.173 32.325 32.500 -0.003 0.000 0.714 556 K HN 0.061 nan 8.250 nan 0.000 0.440 557 L N 0.829 122.049 121.223 -0.004 0.000 2.131 557 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 557 L C 2.257 179.124 176.870 -0.005 0.000 1.092 557 L CA 0.932 55.770 54.840 -0.003 0.000 0.759 557 L CB -0.259 41.798 42.059 -0.002 0.000 0.903 557 L HN 0.211 nan 8.230 nan 0.000 0.435 558 L N -0.935 120.284 121.223 -0.007 0.000 2.131 558 L HA -0.102 4.237 4.340 -0.001 0.000 0.206 558 L C 2.728 179.594 176.870 -0.007 0.000 1.087 558 L CA 0.956 55.792 54.840 -0.007 0.000 0.767 558 L CB -0.430 41.623 42.059 -0.010 0.000 0.917 558 L HN 0.234 nan 8.230 nan 0.000 0.441 559 A N -0.809 122.006 122.820 -0.008 0.000 1.930 559 A HA -0.175 4.144 4.320 -0.001 0.000 0.215 559 A C 2.135 179.715 177.584 -0.006 0.000 1.176 559 A CA 0.903 52.935 52.037 -0.008 0.000 0.632 559 A CB -0.237 18.758 19.000 -0.008 0.000 0.819 559 A HN 0.406 nan 8.150 nan 0.000 0.445 560 Q N -0.948 118.849 119.800 -0.005 0.000 1.993 560 Q HA 0.194 4.533 4.340 -0.001 0.000 0.202 560 Q C 0.817 176.815 176.000 -0.004 0.000 0.984 560 Q CA 1.014 56.814 55.803 -0.004 0.000 0.837 560 Q CB -0.093 28.643 28.738 -0.003 0.000 0.902 560 Q HN 0.667 nan 8.270 nan 0.000 0.423 561 G N -1.241 107.556 108.800 -0.004 0.000 2.405 561 G HA2 0.447 4.406 3.960 -0.001 0.000 0.303 561 G HA3 0.447 4.406 3.960 -0.001 0.000 0.303 561 G C -1.986 172.912 174.900 -0.003 0.000 1.644 561 G CA -0.283 44.815 45.100 -0.004 0.000 0.899 561 G HN 0.193 nan 8.290 nan 0.000 0.667 562 A N 2.810 125.628 122.820 -0.004 0.000 2.431 562 A HA 0.831 5.150 4.320 -0.001 0.000 0.318 562 A C -2.436 175.148 177.584 -0.001 0.000 1.330 562 A CA -1.463 50.573 52.037 -0.002 0.000 0.804 562 A CB 1.075 20.075 19.000 -0.001 0.000 1.135 562 A HN 0.471 nan 8.150 nan 0.000 0.483 563 P HA 0.198 nan 4.420 nan 0.000 0.287 563 P C 0.403 177.704 177.300 0.001 0.000 1.294 563 P CA -0.119 62.983 63.100 0.002 0.000 0.776 563 P CB 1.408 33.111 31.700 0.004 0.000 0.889 564 E N 2.992 123.193 120.200 0.003 0.000 2.095 564 E HA -0.242 4.107 4.350 -0.001 0.000 0.212 564 E C 1.779 178.375 176.600 -0.008 0.000 1.044 564 E CA 1.724 58.124 56.400 -0.001 0.000 0.857 564 E CB -1.149 28.552 29.700 0.003 0.000 0.764 564 E HN 0.527 nan 8.360 nan 0.000 0.462 565 I N 1.037 121.604 120.570 -0.005 0.000 2.113 565 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 565 I C 2.600 178.714 176.117 -0.005 0.000 1.064 565 I CA 1.555 62.851 61.300 -0.007 0.000 1.320 565 I CB -0.843 37.156 38.000 -0.001 0.000 1.028 565 I HN 0.048 nan 8.210 nan 0.000 0.406 566 I N 0.036 120.605 120.570 -0.001 0.000 2.546 566 I HA -0.166 4.004 4.170 -0.001 0.000 0.255 566 I C 2.399 178.515 176.117 -0.001 0.000 1.163 566 I CA 1.370 62.671 61.300 0.001 0.000 1.457 566 I CB -0.555 37.447 38.000 0.003 0.000 1.092 566 I HN 0.192 nan 8.210 nan 0.000 0.434 567 I N 0.849 121.416 120.570 -0.005 0.000 2.286 567 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 567 I C 2.759 178.868 176.117 -0.013 0.000 1.104 567 I CA 1.043 62.337 61.300 -0.009 0.000 1.397 567 I CB -0.366 37.627 38.000 -0.011 0.000 1.072 567 I HN 0.107 nan 8.210 nan 0.000 0.417 568 R N 1.524 122.013 120.500 -0.018 0.000 2.061 568 R HA -0.162 4.178 4.340 -0.001 0.000 0.230 568 R C 1.970 178.267 176.300 -0.005 0.000 1.140 568 R CA 2.067 58.154 56.100 -0.022 0.000 0.940 568 R CB -0.975 29.302 30.300 -0.038 0.000 0.839 568 R HN 0.327 nan 8.270 nan 0.000 0.429 569 N N -0.770 117.931 118.700 0.002 0.000 2.133 569 N HA -0.258 4.481 4.740 -0.001 0.000 0.193 569 N C 1.406 176.929 175.510 0.022 0.000 1.012 569 N CA 1.610 54.670 53.050 0.016 0.000 0.871 569 N CB -0.074 38.421 38.487 0.013 0.000 1.011 569 N HN 0.257 nan 8.380 nan 0.000 0.435 570 E N 0.919 121.126 120.200 0.013 0.000 2.033 570 E HA -0.044 4.305 4.350 -0.001 0.000 0.189 570 E C 1.661 178.269 176.600 0.013 0.000 0.979 570 E CA 1.147 57.556 56.400 0.014 0.000 0.802 570 E CB -0.036 29.668 29.700 0.007 0.000 0.763 570 E HN 0.119 nan 8.360 nan 0.000 0.449 571 K N 0.005 120.405 120.400 -0.001 0.000 2.218 571 K HA -0.151 4.169 4.320 -0.001 0.000 0.205 571 K C 2.152 178.750 176.600 -0.004 0.000 1.046 571 K CA 1.144 57.423 56.287 -0.013 0.000 0.933 571 K CB 0.050 32.531 32.500 -0.032 0.000 0.728 571 K HN 0.010 nan 8.250 nan 0.000 0.454 572 R N -0.248 120.266 120.500 0.023 0.000 2.075 572 R HA -0.125 4.215 4.340 -0.001 0.000 0.230 572 R C 2.330 178.690 176.300 0.099 0.000 1.140 572 R CA 1.833 57.976 56.100 0.072 0.000 0.928 572 R CB -0.428 29.928 30.300 0.094 0.000 0.834 572 R HN 0.177 nan 8.270 nan 0.000 0.429 573 M N 0.676 120.324 119.600 0.080 0.000 2.144 573 M HA -0.204 4.276 4.480 -0.001 0.000 0.260 573 M C 2.206 178.550 176.300 0.073 0.000 1.067 573 M CA 1.422 56.771 55.300 0.082 0.000 1.095 573 M CB -0.301 32.333 32.600 0.056 0.000 1.365 573 M HN 0.085 nan 8.290 nan 0.000 0.406 574 L N -0.443 120.806 121.223 0.044 0.000 1.970 574 L HA -0.291 4.048 4.340 -0.001 0.000 0.212 574 L C 2.509 179.395 176.870 0.028 0.000 1.071 574 L CA 2.009 56.865 54.840 0.028 0.000 0.751 574 L CB -0.636 41.425 42.059 0.003 0.000 0.889 574 L HN 0.304 nan 8.230 nan 0.000 0.432 575 Q N -0.097 119.701 119.800 -0.004 0.000 2.029 575 Q HA -0.310 4.029 4.340 -0.001 0.000 0.209 575 Q C 2.153 178.193 176.000 0.066 0.000 0.999 575 Q CA 2.500 58.260 55.803 -0.073 0.000 0.857 575 Q CB -0.598 27.978 28.738 -0.270 0.000 0.926 575 Q HN 0.562 nan 8.270 nan 0.000 0.415 576 E N -0.133 120.208 120.200 0.235 0.000 2.070 576 E HA -0.249 4.100 4.350 -0.001 0.000 0.197 576 E C 1.764 178.478 176.600 0.191 0.000 1.004 576 E CA 1.670 58.282 56.400 0.353 0.000 0.805 576 E CB -0.519 29.360 29.700 0.298 0.000 0.744 576 E HN 0.392 nan 8.360 nan 0.000 0.451 577 A N 1.275 124.168 122.820 0.120 0.000 1.859 577 A HA -0.187 4.132 4.320 -0.001 0.000 0.217 577 A C 2.681 180.306 177.584 0.069 0.000 1.198 577 A CA 2.492 54.576 52.037 0.079 0.000 0.629 577 A CB -1.106 17.930 19.000 0.061 0.000 0.830 577 A HN 0.217 nan 8.150 nan 0.000 0.446 578 V N 0.910 120.862 119.914 0.063 0.000 2.453 578 V HA -0.306 3.813 4.120 -0.001 0.000 0.252 578 V C 2.005 178.140 176.094 0.068 0.000 1.068 578 V CA 2.268 64.595 62.300 0.046 0.000 1.070 578 V CB -0.986 30.850 31.823 0.022 0.000 0.664 578 V HN 0.544 nan 8.190 nan 0.000 0.461 579 D N 0.446 120.924 120.400 0.130 0.000 2.123 579 D HA -0.084 4.556 4.640 -0.001 0.000 0.200 579 D C 2.318 178.689 176.300 0.119 0.000 0.976 579 D CA 1.474 55.580 54.000 0.177 0.000 0.831 579 D CB -0.104 40.866 40.800 0.285 0.000 0.974 579 D HN 0.466 nan 8.370 nan 0.000 0.469 580 A N 1.977 124.850 122.820 0.088 0.000 1.870 580 A HA -0.248 4.071 4.320 -0.001 0.000 0.219 580 A C 2.440 180.018 177.584 -0.010 0.000 1.224 580 A CA 2.360 54.422 52.037 0.041 0.000 0.650 580 A CB -1.169 17.846 19.000 0.024 0.000 0.836 580 A HN 0.327 nan 8.150 nan 0.000 0.454 581 L N -1.638 119.544 121.223 -0.068 0.000 2.017 581 L HA -0.089 4.251 4.340 -0.001 0.000 0.208 581 L C 2.407 179.222 176.870 -0.091 0.000 1.073 581 L CA 1.699 56.441 54.840 -0.163 0.000 0.745 581 L CB -1.036 40.836 42.059 -0.312 0.000 0.894 581 L HN 0.335 nan 8.230 nan 0.000 0.432 582 L N -0.679 120.521 121.223 -0.038 0.000 1.943 582 L HA -0.060 4.279 4.340 -0.001 0.000 0.215 582 L C 0.637 177.556 176.870 0.080 0.000 1.074 582 L CA 1.465 56.294 54.840 -0.019 0.000 0.759 582 L CB -0.460 41.619 42.059 0.034 0.000 0.888 582 L HN 0.382 nan 8.230 nan 0.000 0.433 583 D N -1.129 119.367 120.400 0.161 0.000 2.936 583 D HA 0.232 4.871 4.640 -0.001 0.000 0.238 583 D C -1.406 174.980 176.300 0.143 0.000 1.248 583 D CA -0.464 53.662 54.000 0.210 0.000 0.903 583 D CB 1.268 42.270 40.800 0.338 0.000 1.544 583 D HN -0.141 nan 8.370 nan 0.000 0.543 584 N N 0.898 119.659 118.700 0.102 0.000 2.456 584 N HA 0.577 5.316 4.740 -0.001 0.000 0.288 584 N C 0.955 176.503 175.510 0.063 0.000 1.059 584 N CA 1.006 54.099 53.050 0.070 0.000 0.946 584 N CB 1.440 39.953 38.487 0.044 0.000 1.150 584 N HN 0.609 nan 8.380 nan 0.000 0.479 585 G N 2.233 111.061 108.800 0.047 0.000 2.234 585 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.235 585 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.235 585 G C 1.264 176.179 174.900 0.025 0.000 0.997 585 G CA -0.110 45.008 45.100 0.031 0.000 0.623 585 G HN 0.506 nan 8.290 nan 0.000 0.514 586 R N 0.205 120.731 120.500 0.044 0.000 2.189 586 R HA 0.117 4.457 4.340 -0.001 0.000 0.223 586 R C 1.261 177.554 176.300 -0.011 0.000 1.092 586 R CA 1.058 57.176 56.100 0.031 0.000 0.989 586 R CB -0.155 30.190 30.300 0.075 0.000 0.876 586 R HN 0.523 nan 8.270 nan 0.000 0.457 587 R N -0.392 120.092 120.500 -0.026 0.000 2.810 587 R HA 0.269 4.608 4.340 -0.001 0.000 0.280 587 R C -0.999 175.260 176.300 -0.068 0.000 1.517 587 R CA 0.346 56.386 56.100 -0.100 0.000 1.063 587 R CB 1.035 31.191 30.300 -0.240 0.000 1.275 587 R HN 0.291 nan 8.270 nan 0.000 0.464 588 G N 1.751 110.521 108.800 -0.049 0.000 2.825 588 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.684 588 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.684 588 G C -0.903 173.997 174.900 -0.001 0.000 1.528 588 G CA -0.326 44.759 45.100 -0.025 0.000 0.963 588 G HN 0.789 nan 8.290 nan 0.000 0.577 589 A N 2.367 125.190 122.820 0.005 0.000 2.340 589 A HA 0.828 5.147 4.320 -0.001 0.000 0.297 589 A C -1.809 175.784 177.584 0.016 0.000 1.195 589 A CA -1.177 50.868 52.037 0.013 0.000 0.769 589 A CB 1.476 20.483 19.000 0.011 0.000 1.163 589 A HN 0.649 nan 8.150 nan 0.000 0.472 590 P HA 0.395 nan 4.420 nan 0.000 0.269 590 P C -0.716 176.594 177.300 0.016 0.000 1.215 590 P CA 0.007 63.119 63.100 0.020 0.000 0.780 590 P CB 0.969 32.682 31.700 0.022 0.000 0.898 591 V N 1.060 120.984 119.914 0.016 0.000 2.841 591 V HA 0.301 4.420 4.120 -0.001 0.000 0.310 591 V C 0.175 176.278 176.094 0.015 0.000 1.090 591 V CA -0.696 61.612 62.300 0.014 0.000 0.930 591 V CB 2.032 33.862 31.823 0.013 0.000 1.014 591 V HN 0.449 nan 8.190 nan 0.000 0.425 592 T N 3.368 117.931 114.554 0.015 0.000 2.926 592 T HA 0.151 4.500 4.350 -0.001 0.000 0.307 592 T C 0.404 175.112 174.700 0.015 0.000 1.059 592 T CA -0.025 62.084 62.100 0.017 0.000 1.122 592 T CB 0.047 68.925 68.868 0.018 0.000 0.972 592 T HN 0.767 nan 8.240 nan 0.000 0.545 593 N N 2.976 121.685 118.700 0.015 0.000 2.283 593 N HA 0.079 4.819 4.740 -0.001 0.000 0.236 593 N C -2.481 173.035 175.510 0.011 0.000 1.252 593 N CA -0.949 52.108 53.050 0.012 0.000 0.856 593 N CB -0.445 38.049 38.487 0.011 0.000 1.099 593 N HN 0.363 nan 8.380 nan 0.000 0.444 594 P HA -0.130 nan 4.420 nan 0.000 0.228 594 P C 0.434 177.739 177.300 0.008 0.000 1.031 594 P CA 1.043 64.147 63.100 0.008 0.000 0.917 594 P CB -0.331 31.373 31.700 0.007 0.000 0.847 595 G N 1.130 109.936 108.800 0.009 0.000 4.212 595 G HA2 0.076 4.035 3.960 -0.001 0.000 0.199 595 G HA3 0.076 4.035 3.960 -0.001 0.000 0.199 595 G C -0.382 174.524 174.900 0.009 0.000 0.986 595 G CA 0.268 45.373 45.100 0.009 0.000 0.985 595 G HN 0.568 nan 8.290 nan 0.000 0.378 596 S N 0.700 116.405 115.700 0.010 0.000 2.737 596 S HA 0.464 4.933 4.470 -0.001 0.000 0.269 596 S C -1.900 172.706 174.600 0.009 0.000 1.150 596 S CA -0.494 57.711 58.200 0.009 0.000 1.077 596 S CB 1.914 65.120 63.200 0.010 0.000 1.075 596 S HN -0.042 nan 8.310 nan 0.000 0.476 597 D N 2.733 123.138 120.400 0.008 0.000 2.662 597 D HA 0.218 4.857 4.640 -0.001 0.000 0.228 597 D C 0.482 176.787 176.300 0.008 0.000 1.093 597 D CA 0.042 54.047 54.000 0.008 0.000 1.075 597 D CB -0.051 40.753 40.800 0.007 0.000 1.122 597 D HN 0.651 nan 8.370 nan 0.000 0.475 598 R N -0.311 120.195 120.500 0.009 0.000 2.589 598 R HA 0.722 5.061 4.340 -0.001 0.000 0.293 598 R C -2.953 173.353 176.300 0.010 0.000 0.963 598 R CA -2.101 54.005 56.100 0.009 0.000 0.905 598 R CB 0.439 30.744 30.300 0.009 0.000 1.144 598 R HN -0.164 nan 8.270 nan 0.000 0.459 599 P HA 0.094 nan 4.420 nan 0.000 0.271 599 P C -0.624 176.682 177.300 0.011 0.000 1.233 599 P CA -0.249 62.858 63.100 0.013 0.000 0.764 599 P CB 0.513 32.222 31.700 0.016 0.000 0.825 600 L N 3.510 124.738 121.223 0.009 0.000 2.615 600 L HA 0.059 4.399 4.340 -0.001 0.000 0.271 600 L C 1.386 178.255 176.870 -0.001 0.000 1.183 600 L CA -0.001 54.840 54.840 0.002 0.000 0.933 600 L CB -0.227 41.830 42.059 -0.004 0.000 1.199 600 L HN 0.343 nan 8.230 nan 0.000 0.487 601 R N 3.210 123.710 120.500 -0.000 0.000 2.723 601 R HA -0.014 4.326 4.340 -0.001 0.000 0.358 601 R C 0.496 176.789 176.300 -0.012 0.000 0.966 601 R CA -0.120 55.981 56.100 0.002 0.000 1.022 601 R CB 0.195 30.498 30.300 0.004 0.000 0.945 601 R HN 0.814 nan 8.270 nan 0.000 0.420 602 S N 2.860 118.561 115.700 0.001 0.000 2.624 602 S HA 0.070 4.539 4.470 -0.001 0.000 0.263 602 S C 1.598 176.201 174.600 0.004 0.000 1.287 602 S CA -0.818 57.376 58.200 -0.010 0.000 0.990 602 S CB 0.991 64.207 63.200 0.026 0.000 0.950 602 S HN 0.632 nan 8.310 nan 0.000 0.561 603 L N 1.029 122.240 121.223 -0.022 0.000 2.021 603 L HA -0.173 4.166 4.340 -0.001 0.000 0.215 603 L C 3.008 179.917 176.870 0.065 0.000 1.074 603 L CA 2.131 56.958 54.840 -0.021 0.000 0.760 603 L CB -1.335 40.677 42.059 -0.079 0.000 0.889 603 L HN 0.858 nan 8.230 nan 0.000 0.433 604 T N -1.252 113.408 114.554 0.176 0.000 2.684 604 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 604 T C 1.498 176.323 174.700 0.210 0.000 1.036 604 T CA 1.750 64.066 62.100 0.359 0.000 1.148 604 T CB -0.337 68.803 68.868 0.454 0.000 0.863 604 T HN 0.315 nan 8.240 nan 0.000 0.436 605 D N 0.829 121.307 120.400 0.130 0.000 2.104 605 D HA -0.052 4.587 4.640 -0.001 0.000 0.194 605 D C 2.016 178.357 176.300 0.069 0.000 0.994 605 D CA 0.781 54.833 54.000 0.086 0.000 0.830 605 D CB -0.410 40.424 40.800 0.057 0.000 0.959 605 D HN 0.397 nan 8.370 nan 0.000 0.452 606 I N -0.113 120.484 120.570 0.046 0.000 2.315 606 I HA -0.258 3.912 4.170 -0.001 0.000 0.251 606 I C 2.198 178.322 176.117 0.012 0.000 1.125 606 I CA 0.818 62.129 61.300 0.018 0.000 1.392 606 I CB -0.213 37.780 38.000 -0.011 0.000 1.065 606 I HN 0.041 nan 8.210 nan 0.000 0.424 607 L N -0.458 120.782 121.223 0.028 0.000 2.375 607 L HA 0.083 4.423 4.340 -0.001 0.000 0.215 607 L C 0.789 177.747 176.870 0.146 0.000 1.108 607 L CA 0.282 55.106 54.840 -0.026 0.000 0.830 607 L CB 0.125 42.155 42.059 -0.047 0.000 0.959 607 L HN 0.135 nan 8.230 nan 0.000 0.457 608 S N -1.126 114.671 115.700 0.163 0.000 2.578 608 S HA 0.787 5.256 4.470 -0.001 0.000 0.301 608 S C 0.211 174.892 174.600 0.135 0.000 1.091 608 S CA -0.214 58.099 58.200 0.188 0.000 1.032 608 S CB 1.818 65.106 63.200 0.146 0.000 1.064 608 S HN 0.414 nan 8.310 nan 0.000 0.508 609 G N 1.664 110.544 108.800 0.134 0.000 2.615 609 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 609 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 609 G C 0.373 175.305 174.900 0.053 0.000 1.339 609 G CA 0.248 45.394 45.100 0.077 0.000 0.884 609 G HN 0.722 nan 8.290 nan 0.000 0.559 610 K N 0.298 120.703 120.400 0.010 0.000 1.974 610 K HA -0.162 4.157 4.320 -0.001 0.000 0.229 610 K C 1.658 178.266 176.600 0.012 0.000 1.038 610 K CA 2.367 58.647 56.287 -0.012 0.000 1.034 610 K CB -0.383 32.097 32.500 -0.034 0.000 0.742 610 K HN 0.673 nan 8.250 nan 0.000 0.446 611 Q N 0.120 119.928 119.800 0.013 0.000 3.008 611 Q HA 0.339 4.678 4.340 -0.001 0.000 0.307 611 Q C -0.067 175.954 176.000 0.035 0.000 1.273 611 Q CA -0.687 55.129 55.803 0.022 0.000 1.091 611 Q CB 1.415 30.160 28.738 0.011 0.000 1.393 611 Q HN 0.316 nan 8.270 nan 0.000 0.521 612 G N 0.727 109.562 108.800 0.057 0.000 2.857 612 G HA2 0.263 4.222 3.960 -0.001 0.000 0.217 612 G HA3 0.263 4.222 3.960 -0.001 0.000 0.217 612 G C 0.124 175.067 174.900 0.071 0.000 1.357 612 G CA -0.675 44.465 45.100 0.068 0.000 1.033 612 G HN 0.286 nan 8.290 nan 0.000 0.571 613 R N -1.630 118.910 120.500 0.066 0.000 2.206 613 R HA 0.279 4.619 4.340 -0.001 0.000 0.198 613 R C 1.880 178.260 176.300 0.133 0.000 0.986 613 R CA 0.293 56.420 56.100 0.047 0.000 1.029 613 R CB -0.554 29.725 30.300 -0.035 0.000 0.966 613 R HN 0.364 nan 8.270 nan 0.000 0.487 614 F N 0.223 120.209 119.950 0.060 0.000 2.502 614 F HA 0.116 4.642 4.527 -0.001 0.000 0.298 614 F C 1.937 177.763 175.800 0.043 0.000 1.111 614 F CA 0.644 58.682 58.000 0.064 0.000 1.445 614 F CB -0.005 39.050 39.000 0.091 0.000 1.081 614 F HN -0.024 nan 8.300 nan 0.000 0.558 615 R N -0.159 120.483 120.500 0.237 0.000 2.189 615 R HA -0.037 4.302 4.340 -0.001 0.000 0.203 615 R C 2.098 178.452 176.300 0.090 0.000 1.012 615 R CA 0.652 56.828 56.100 0.127 0.000 1.015 615 R CB -0.189 30.165 30.300 0.091 0.000 0.938 615 R HN 0.193 nan 8.270 nan 0.000 0.472 616 Q N 0.274 120.129 119.800 0.092 0.000 2.119 616 Q HA -0.100 4.239 4.340 -0.001 0.000 0.201 616 Q C 0.919 176.956 176.000 0.062 0.000 0.972 616 Q CA 2.118 57.958 55.803 0.063 0.000 0.847 616 Q CB -0.060 28.709 28.738 0.051 0.000 0.903 616 Q HN 0.314 nan 8.270 nan 0.000 0.433 617 N N -0.071 118.682 118.700 0.088 0.000 2.092 617 N HA -0.099 4.641 4.740 -0.001 0.000 0.189 617 N C 1.517 177.058 175.510 0.051 0.000 1.040 617 N CA 1.297 54.393 53.050 0.077 0.000 0.845 617 N CB -0.525 38.037 38.487 0.126 0.000 1.017 617 N HN 0.170 nan 8.380 nan 0.000 0.426 618 L N 0.547 121.802 121.223 0.053 0.000 2.013 618 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 618 L C 1.669 178.544 176.870 0.007 0.000 1.073 618 L CA 1.368 56.212 54.840 0.008 0.000 0.753 618 L CB -0.296 41.758 42.059 -0.008 0.000 0.890 618 L HN 0.224 nan 8.230 nan 0.000 0.432 619 L N -1.370 119.866 121.223 0.023 0.000 2.607 619 L HA 0.298 4.637 4.340 -0.001 0.000 0.228 619 L C 1.007 177.895 176.870 0.030 0.000 1.123 619 L CA 0.115 54.969 54.840 0.023 0.000 0.890 619 L CB -1.236 40.838 42.059 0.024 0.000 1.103 619 L HN 0.315 nan 8.230 nan 0.000 0.468 620 G N 2.237 111.055 108.800 0.031 0.000 2.381 620 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.206 620 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.206 620 G C 0.467 175.389 174.900 0.036 0.000 0.274 620 G CA 0.390 45.509 45.100 0.030 0.000 1.035 620 G HN 0.459 nan 8.290 nan 0.000 0.449 621 K N 1.082 121.503 120.400 0.035 0.000 2.399 621 K HA 0.179 4.498 4.320 -0.001 0.000 0.204 621 K C 1.025 177.651 176.600 0.044 0.000 1.023 621 K CA -0.025 56.287 56.287 0.042 0.000 1.127 621 K CB 0.474 32.994 32.500 0.035 0.000 0.856 621 K HN 0.464 nan 8.250 nan 0.000 0.514 622 R N 0.988 121.509 120.500 0.035 0.000 2.569 622 R HA 0.211 4.550 4.340 -0.001 0.000 0.293 622 R C -1.166 175.143 176.300 0.013 0.000 1.186 622 R CA -0.401 55.718 56.100 0.033 0.000 0.956 622 R CB 1.781 32.094 30.300 0.023 0.000 1.196 622 R HN -0.107 nan 8.270 nan 0.000 0.444 623 V N 3.005 122.922 119.914 0.005 0.000 2.740 623 V HA -0.053 4.066 4.120 -0.001 0.000 0.303 623 V C 0.969 177.033 176.094 -0.050 0.000 1.054 623 V CA 0.423 62.676 62.300 -0.077 0.000 1.106 623 V CB 1.230 32.855 31.823 -0.330 0.000 0.957 623 V HN 0.715 nan 8.190 nan 0.000 0.486 624 D N 1.579 121.963 120.400 -0.028 0.000 2.162 624 D HA -0.030 4.609 4.640 -0.001 0.000 0.205 624 D C 0.320 176.468 176.300 -0.254 0.000 0.964 624 D CA 1.250 55.180 54.000 -0.116 0.000 0.847 624 D CB 0.067 40.814 40.800 -0.088 0.000 0.988 624 D HN 0.643 nan 8.370 nan 0.000 0.480 625 Y N 0.541 120.789 120.300 -0.087 0.000 2.888 625 Y HA 0.360 4.910 4.550 -0.001 0.000 0.341 625 Y C 0.176 176.055 175.900 -0.035 0.000 1.241 625 Y CA -0.753 57.308 58.100 -0.064 0.000 1.440 625 Y CB 0.163 38.563 38.460 -0.100 0.000 1.517 625 Y HN -0.188 nan 8.280 nan 0.000 0.518 626 S N -0.193 115.579 115.700 0.120 0.000 2.634 626 S HA 1.006 5.475 4.470 -0.001 0.000 0.296 626 S C -0.179 174.522 174.600 0.169 0.000 1.104 626 S CA -0.611 57.749 58.200 0.266 0.000 0.920 626 S CB 2.513 65.893 63.200 0.301 0.000 1.111 626 S HN 0.583 nan 8.310 nan 0.000 0.493 627 G N 0.053 108.948 108.800 0.157 0.000 2.677 627 G HA2 0.739 4.698 3.960 -0.001 0.000 0.291 627 G HA3 0.739 4.698 3.960 -0.001 0.000 0.291 627 G C -1.849 173.074 174.900 0.037 0.000 1.435 627 G CA -1.154 43.998 45.100 0.086 0.000 0.826 627 G HN 1.090 nan 8.290 nan 0.000 0.491 628 R N -0.954 119.555 120.500 0.015 0.000 2.572 628 R HA 0.768 5.107 4.340 -0.001 0.000 0.273 628 R C -1.071 175.219 176.300 -0.016 0.000 1.168 628 R CA -0.675 55.416 56.100 -0.015 0.000 1.021 628 R CB 1.334 31.623 30.300 -0.019 0.000 1.249 628 R HN 0.711 nan 8.270 nan 0.000 0.423 629 S N 1.280 116.962 115.700 -0.029 0.000 2.840 629 S HA 0.643 5.113 4.470 -0.001 0.000 0.307 629 S C -0.861 173.720 174.600 -0.031 0.000 1.180 629 S CA -0.653 57.532 58.200 -0.025 0.000 0.846 629 S CB 1.759 64.946 63.200 -0.021 0.000 1.233 629 S HN 0.380 nan 8.310 nan 0.000 0.548 630 V N 2.977 122.878 119.914 -0.021 0.000 2.732 630 V HA 0.401 4.521 4.120 -0.001 0.000 0.297 630 V C 0.301 176.400 176.094 0.008 0.000 1.060 630 V CA -0.393 61.902 62.300 -0.008 0.000 1.038 630 V CB 0.732 32.555 31.823 0.000 0.000 1.003 630 V HN 0.691 nan 8.190 nan 0.000 0.481 631 I N 1.997 122.601 120.570 0.057 0.000 2.577 631 I HA 0.824 4.993 4.170 -0.001 0.000 0.300 631 I C -0.688 175.595 176.117 0.276 0.000 0.990 631 I CA -0.517 60.874 61.300 0.153 0.000 1.283 631 I CB 1.706 39.809 38.000 0.171 0.000 1.411 631 I HN 0.283 nan 8.210 nan 0.000 0.515 632 V N 5.181 125.151 119.914 0.093 0.000 2.851 632 V HA 0.209 4.328 4.120 -0.001 0.000 0.307 632 V C -0.130 175.471 176.094 -0.821 0.000 1.129 632 V CA -0.793 61.246 62.300 -0.436 0.000 0.932 632 V CB 2.145 33.814 31.823 -0.257 0.000 1.024 632 V HN 0.695 nan 8.190 nan 0.000 0.426 633 V N 4.008 122.915 119.914 -1.678 0.000 2.901 633 V HA 0.476 4.595 4.120 -0.001 0.000 0.307 633 V C 0.969 176.808 176.094 -0.424 0.000 1.084 633 V CA 1.386 63.100 62.300 -0.977 0.000 1.184 633 V CB 1.432 32.744 31.823 -0.852 0.000 0.941 633 V HN 1.141 nan 8.190 nan 0.000 0.493 634 G N 6.267 114.930 108.800 -0.230 0.000 4.782 634 G HA2 0.423 4.382 3.960 -0.001 0.000 0.327 634 G HA3 0.423 4.382 3.960 -0.001 0.000 0.327 634 G C -1.652 173.182 174.900 -0.111 0.000 1.466 634 G CA -0.525 44.486 45.100 -0.147 0.000 1.017 634 G HN 0.700 nan 8.290 nan 0.000 0.543 635 P HA -0.290 nan 4.420 nan 0.000 0.222 635 P C 1.893 179.232 177.300 0.065 0.000 1.157 635 P CA 1.442 64.535 63.100 -0.012 0.000 0.905 635 P CB 0.329 31.981 31.700 -0.079 0.000 0.792 636 Q N -1.347 118.472 119.800 0.031 0.000 2.245 636 Q HA 0.002 4.341 4.340 -0.001 0.000 0.201 636 Q C 1.141 177.179 176.000 0.062 0.000 0.955 636 Q CA 0.210 56.040 55.803 0.045 0.000 0.870 636 Q CB -0.758 27.985 28.738 0.009 0.000 0.945 636 Q HN 0.294 nan 8.270 nan 0.000 0.461 637 L N 2.295 123.551 121.223 0.055 0.000 2.529 637 L HA -0.074 4.265 4.340 -0.001 0.000 0.287 637 L C -0.084 176.979 176.870 0.323 0.000 1.241 637 L CA 0.838 55.759 54.840 0.135 0.000 0.857 637 L CB 0.429 42.555 42.059 0.111 0.000 1.113 637 L HN -0.103 nan 8.230 nan 0.000 0.504 638 K N 4.323 124.930 120.400 0.345 0.000 2.123 638 K HA 0.240 4.560 4.320 -0.001 0.000 0.259 638 K C 0.998 177.789 176.600 0.318 0.000 0.960 638 K CA -0.736 55.774 56.287 0.371 0.000 0.872 638 K CB 1.367 34.000 32.500 0.221 0.000 1.079 638 K HN 0.528 nan 8.250 nan 0.000 0.440 639 L N 0.195 121.376 121.223 -0.070 0.000 2.103 639 L HA -0.275 4.065 4.340 -0.001 0.000 0.215 639 L C 2.190 179.060 176.870 0.001 0.000 1.080 639 L CA 1.948 56.672 54.840 -0.194 0.000 0.764 639 L CB -1.733 40.159 42.059 -0.279 0.000 0.890 639 L HN 0.789 nan 8.230 nan 0.000 0.435 640 H N 0.583 119.630 119.070 -0.038 0.000 2.387 640 H HA -0.034 4.521 4.556 -0.001 0.000 0.299 640 H C 0.959 176.326 175.328 0.065 0.000 1.099 640 H CA 1.651 57.659 56.048 -0.065 0.000 1.315 640 H CB -0.028 29.718 29.762 -0.027 0.000 1.380 640 H HN 0.715 nan 8.280 nan 0.000 0.513 641 Q N -0.698 119.106 119.800 0.007 0.000 2.486 641 Q HA 0.535 4.875 4.340 -0.001 0.000 0.274 641 Q C -0.833 175.362 176.000 0.324 0.000 1.076 641 Q CA -0.661 55.163 55.803 0.035 0.000 0.872 641 Q CB 2.138 30.847 28.738 -0.048 0.000 1.383 641 Q HN 0.382 nan 8.270 nan 0.000 0.478 642 C N -2.319 117.055 119.300 0.125 0.000 2.985 642 C HA 0.928 5.388 4.460 -0.001 0.000 0.314 642 C C 0.174 175.135 174.990 -0.049 0.000 1.215 642 C CA -0.742 58.256 59.018 -0.034 0.000 1.414 642 C CB 0.988 28.572 27.740 -0.260 0.000 1.842 642 C HN 0.989 nan 8.230 nan 0.000 0.477 643 G N 1.737 110.494 108.800 -0.071 0.000 2.350 643 G HA2 0.535 4.494 3.960 -0.001 0.000 0.306 643 G HA3 0.535 4.494 3.960 -0.001 0.000 0.306 643 G C -1.058 173.795 174.900 -0.078 0.000 1.094 643 G CA -0.151 44.907 45.100 -0.070 0.000 0.953 643 G HN 1.154 nan 8.290 nan 0.000 0.420 644 L N 5.060 126.240 121.223 -0.071 0.000 2.313 644 L HA 0.600 4.939 4.340 -0.001 0.000 0.283 644 L C -2.377 174.455 176.870 -0.063 0.000 1.013 644 L CA -2.468 52.335 54.840 -0.061 0.000 0.816 644 L CB 2.078 44.106 42.059 -0.051 0.000 1.236 644 L HN 0.187 nan 8.230 nan 0.000 0.419 645 P HA 0.057 nan 4.420 nan 0.000 0.262 645 P C -0.320 176.954 177.300 -0.043 0.000 1.182 645 P CA 0.013 63.081 63.100 -0.053 0.000 0.761 645 P CB 0.352 32.031 31.700 -0.036 0.000 0.795 646 K N 4.311 124.669 120.400 -0.070 0.000 2.057 646 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 646 K C 1.491 178.126 176.600 0.059 0.000 1.049 646 K CA 1.297 57.563 56.287 -0.034 0.000 0.931 646 K CB -0.359 32.066 32.500 -0.127 0.000 0.714 646 K HN 0.170 nan 8.250 nan 0.000 0.440 647 R N 0.581 121.097 120.500 0.027 0.000 2.105 647 R HA -0.061 4.279 4.340 -0.001 0.000 0.239 647 R C 2.466 178.827 176.300 0.102 0.000 1.135 647 R CA 1.958 58.116 56.100 0.096 0.000 0.967 647 R CB -0.520 29.805 30.300 0.041 0.000 0.861 647 R HN 0.292 nan 8.270 nan 0.000 0.442 648 M N 0.390 120.029 119.600 0.065 0.000 2.132 648 M HA -0.050 4.430 4.480 -0.001 0.000 0.263 648 M C 2.245 178.621 176.300 0.126 0.000 1.065 648 M CA 1.740 57.087 55.300 0.079 0.000 1.122 648 M CB -0.065 32.565 32.600 0.050 0.000 1.365 648 M HN 0.292 nan 8.290 nan 0.000 0.411 649 A N 0.507 123.385 122.820 0.097 0.000 1.908 649 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 649 A C 1.984 179.686 177.584 0.197 0.000 1.181 649 A CA 1.661 53.754 52.037 0.093 0.000 0.627 649 A CB -1.099 17.846 19.000 -0.091 0.000 0.818 649 A HN 0.573 nan 8.150 nan 0.000 0.445 650 L N -0.101 121.231 121.223 0.183 0.000 1.990 650 L HA -0.209 4.131 4.340 -0.001 0.000 0.213 650 L C 2.278 179.269 176.870 0.200 0.000 1.072 650 L CA 2.609 57.569 54.840 0.199 0.000 0.755 650 L CB -0.716 41.471 42.059 0.213 0.000 0.889 650 L HN 0.447 nan 8.230 nan 0.000 0.432 651 E N -0.737 119.567 120.200 0.173 0.000 2.047 651 E HA -0.196 4.154 4.350 -0.001 0.000 0.191 651 E C 2.218 178.932 176.600 0.190 0.000 0.987 651 E CA 1.258 57.744 56.400 0.143 0.000 0.799 651 E CB -0.386 29.372 29.700 0.096 0.000 0.752 651 E HN 0.383 nan 8.360 nan 0.000 0.449 652 L N 0.155 121.533 121.223 0.257 0.000 1.990 652 L HA -0.177 4.162 4.340 -0.001 0.000 0.213 652 L C 1.428 178.518 176.870 0.366 0.000 1.072 652 L CA 1.719 56.754 54.840 0.325 0.000 0.755 652 L CB -0.546 41.783 42.059 0.450 0.000 0.889 652 L HN 0.040 nan 8.230 nan 0.000 0.432 653 F N -0.690 119.358 119.950 0.164 0.000 2.916 653 F HA 0.204 4.730 4.527 -0.001 0.000 0.294 653 F C 1.695 177.644 175.800 0.249 0.000 1.189 653 F CA -0.315 57.797 58.000 0.187 0.000 1.369 653 F CB -0.712 38.333 39.000 0.075 0.000 0.961 653 F HN 0.042 nan 8.300 nan 0.000 0.508 654 K N 1.919 122.537 120.400 0.364 0.000 1.978 654 K HA -0.117 4.203 4.320 -0.001 0.000 0.214 654 K C -0.869 175.876 176.600 0.241 0.000 1.049 654 K CA 1.875 58.311 56.287 0.248 0.000 0.939 654 K CB -1.115 31.484 32.500 0.166 0.000 0.721 654 K HN 0.074 nan 8.250 nan 0.000 0.441 655 P HA -0.129 nan 4.420 nan 0.000 0.215 655 P C 0.880 178.257 177.300 0.129 0.000 1.157 655 P CA 1.350 64.547 63.100 0.162 0.000 0.868 655 P CB -0.087 31.710 31.700 0.161 0.000 0.788 656 F N -1.169 118.844 119.950 0.106 0.000 2.202 656 F HA -0.145 4.381 4.527 -0.001 0.000 0.301 656 F C 2.174 178.047 175.800 0.121 0.000 1.082 656 F CA 1.098 59.164 58.000 0.110 0.000 1.313 656 F CB -1.089 38.009 39.000 0.163 0.000 1.024 656 F HN -0.123 nan 8.300 nan 0.000 0.495 657 L N -0.466 120.946 121.223 0.314 0.000 2.068 657 L HA -0.062 4.277 4.340 -0.001 0.000 0.204 657 L C 2.087 179.019 176.870 0.103 0.000 1.076 657 L CA 1.423 56.377 54.840 0.191 0.000 0.753 657 L CB -0.821 41.335 42.059 0.163 0.000 0.910 657 L HN 0.059 nan 8.230 nan 0.000 0.439 658 L N -0.053 121.222 121.223 0.085 0.000 1.991 658 L HA -0.319 4.020 4.340 -0.001 0.000 0.221 658 L C 2.763 179.646 176.870 0.021 0.000 1.079 658 L CA 1.950 56.813 54.840 0.038 0.000 0.778 658 L CB -0.882 41.196 42.059 0.031 0.000 0.893 658 L HN 0.348 nan 8.230 nan 0.000 0.437 659 K N 0.973 121.381 120.400 0.013 0.000 2.001 659 K HA -0.248 4.071 4.320 -0.001 0.000 0.214 659 K C 2.024 178.632 176.600 0.013 0.000 1.050 659 K CA 1.826 58.111 56.287 -0.004 0.000 0.934 659 K CB -0.334 32.146 32.500 -0.032 0.000 0.718 659 K HN 0.032 nan 8.250 nan 0.000 0.443 660 K N 0.086 120.511 120.400 0.040 0.000 2.160 660 K HA -0.054 4.266 4.320 -0.001 0.000 0.206 660 K C 2.126 178.740 176.600 0.024 0.000 1.047 660 K CA 1.613 57.927 56.287 0.045 0.000 0.930 660 K CB -0.102 32.446 32.500 0.080 0.000 0.720 660 K HN 0.221 nan 8.250 nan 0.000 0.450 661 M N -0.194 119.415 119.600 0.015 0.000 2.117 661 M HA -0.162 4.317 4.480 -0.001 0.000 0.262 661 M C 1.859 178.155 176.300 -0.006 0.000 1.065 661 M CA 1.585 56.882 55.300 -0.004 0.000 1.114 661 M CB -0.480 32.111 32.600 -0.015 0.000 1.361 661 M HN 0.215 nan 8.290 nan 0.000 0.408 662 E N 0.525 120.723 120.200 -0.004 0.000 2.152 662 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 662 E C 1.696 178.293 176.600 -0.005 0.000 0.983 662 E CA 0.816 57.212 56.400 -0.007 0.000 0.818 662 E CB 0.025 29.721 29.700 -0.008 0.000 0.758 662 E HN 0.566 nan 8.360 nan 0.000 0.467 663 E N 0.305 120.505 120.200 -0.001 0.000 2.333 663 E HA -0.079 4.270 4.350 -0.001 0.000 0.198 663 E C 0.453 177.053 176.600 0.000 0.000 1.007 663 E CA 0.714 57.114 56.400 0.000 0.000 0.845 663 E CB 0.257 29.961 29.700 0.006 0.000 0.766 663 E HN 0.051 nan 8.360 nan 0.000 0.507 664 K N -1.158 119.241 120.400 -0.001 0.000 2.331 664 K HA 0.311 4.630 4.320 -0.001 0.000 0.238 664 K C 0.806 177.402 176.600 -0.007 0.000 1.058 664 K CA -0.370 55.915 56.287 -0.002 0.000 0.871 664 K CB 1.268 33.767 32.500 -0.001 0.000 1.292 664 K HN -0.036 nan 8.250 nan 0.000 0.470 665 G N 0.384 109.179 108.800 -0.008 0.000 2.920 665 G HA2 0.015 3.975 3.960 -0.001 0.000 0.208 665 G HA3 0.015 3.975 3.960 -0.001 0.000 0.208 665 G C 1.135 176.026 174.900 -0.016 0.000 1.159 665 G CA 0.114 45.208 45.100 -0.010 0.000 0.784 665 G HN 0.404 nan 8.290 nan 0.000 0.535 666 I N 0.789 121.347 120.570 -0.021 0.000 2.361 666 I HA 0.114 4.283 4.170 -0.001 0.000 0.251 666 I C 1.452 177.550 176.117 -0.032 0.000 1.133 666 I CA 1.139 62.420 61.300 -0.033 0.000 1.413 666 I CB -0.103 37.869 38.000 -0.047 0.000 1.073 666 I HN 0.182 nan 8.210 nan 0.000 0.424 667 A N -0.722 122.083 122.820 -0.025 0.000 2.547 667 A HA 0.600 4.920 4.320 -0.001 0.000 0.297 667 A C -2.245 175.330 177.584 -0.016 0.000 1.056 667 A CA -1.007 51.016 52.037 -0.023 0.000 0.688 667 A CB 0.833 19.818 19.000 -0.026 0.000 1.282 667 A HN -0.180 nan 8.150 nan 0.000 0.400 668 P HA -0.026 nan 4.420 nan 0.000 0.214 668 P C 0.130 177.424 177.300 -0.011 0.000 1.162 668 P CA 1.396 64.489 63.100 -0.012 0.000 0.874 668 P CB 0.165 31.858 31.700 -0.011 0.000 0.784 669 N N -2.456 116.238 118.700 -0.011 0.000 2.831 669 N HA 0.115 4.854 4.740 -0.001 0.000 0.276 669 N C 1.004 176.508 175.510 -0.010 0.000 1.416 669 N CA -0.444 52.600 53.050 -0.010 0.000 0.799 669 N CB 1.293 39.775 38.487 -0.009 0.000 1.554 669 N HN -0.193 nan 8.380 nan 0.000 0.541 670 V N -0.549 119.360 119.914 -0.009 0.000 2.220 670 V HA -0.255 3.865 4.120 -0.001 0.000 0.246 670 V C 2.233 178.324 176.094 -0.006 0.000 1.049 670 V CA 1.746 64.041 62.300 -0.007 0.000 1.003 670 V CB -1.249 30.570 31.823 -0.007 0.000 0.634 670 V HN 0.643 nan 8.190 nan 0.000 0.444 671 K N 1.190 121.586 120.400 -0.006 0.000 2.113 671 K HA -0.152 4.167 4.320 -0.001 0.000 0.208 671 K C 2.397 178.993 176.600 -0.008 0.000 1.047 671 K CA 1.706 57.990 56.287 -0.005 0.000 0.928 671 K CB -0.634 31.863 32.500 -0.005 0.000 0.716 671 K HN 0.626 nan 8.250 nan 0.000 0.446 672 A N 1.576 124.390 122.820 -0.010 0.000 1.855 672 A HA -0.102 4.218 4.320 -0.001 0.000 0.215 672 A C 2.422 179.996 177.584 -0.017 0.000 1.191 672 A CA 1.788 53.817 52.037 -0.013 0.000 0.613 672 A CB -0.799 18.193 19.000 -0.013 0.000 0.829 672 A HN 0.327 nan 8.150 nan 0.000 0.442 673 A N -0.603 122.207 122.820 -0.016 0.000 1.978 673 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 673 A C 2.256 179.828 177.584 -0.019 0.000 1.170 673 A CA 1.602 53.626 52.037 -0.021 0.000 0.636 673 A CB -0.463 18.528 19.000 -0.014 0.000 0.810 673 A HN 0.546 nan 8.150 nan 0.000 0.448 674 R N -1.090 119.404 120.500 -0.010 0.000 2.062 674 R HA -0.087 4.252 4.340 -0.001 0.000 0.231 674 R C 2.558 178.851 176.300 -0.010 0.000 1.136 674 R CA 1.465 57.562 56.100 -0.005 0.000 0.948 674 R CB -0.334 29.966 30.300 -0.001 0.000 0.845 674 R HN 0.588 nan 8.270 nan 0.000 0.430 675 R N 0.684 121.178 120.500 -0.011 0.000 2.120 675 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 675 R C 2.250 178.539 176.300 -0.019 0.000 1.123 675 R CA 1.264 57.357 56.100 -0.012 0.000 0.975 675 R CB -0.179 30.115 30.300 -0.010 0.000 0.866 675 R HN 0.156 nan 8.270 nan 0.000 0.446 676 M N 0.766 120.350 119.600 -0.027 0.000 2.202 676 M HA -0.150 4.329 4.480 -0.001 0.000 0.262 676 M C 1.195 177.463 176.300 -0.052 0.000 1.063 676 M CA 1.711 56.987 55.300 -0.041 0.000 1.097 676 M CB -0.126 32.444 32.600 -0.051 0.000 1.382 676 M HN 0.283 nan 8.290 nan 0.000 0.413 677 L N -0.169 121.027 121.223 -0.045 0.000 2.693 677 L HA 0.041 4.381 4.340 -0.001 0.000 0.235 677 L C 2.204 179.064 176.870 -0.017 0.000 1.127 677 L CA 0.036 54.848 54.840 -0.047 0.000 0.914 677 L CB -0.388 41.642 42.059 -0.048 0.000 1.193 677 L HN 0.295 nan 8.230 nan 0.000 0.502 678 E N 1.954 122.147 120.200 -0.011 0.000 2.209 678 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 678 E C 0.411 177.014 176.600 0.005 0.000 0.993 678 E CA 0.872 57.272 56.400 -0.001 0.000 0.819 678 E CB 0.165 29.864 29.700 -0.002 0.000 0.745 678 E HN 0.467 nan 8.360 nan 0.000 0.477 679 R N 0.129 120.631 120.500 0.002 0.000 2.711 679 R HA 0.296 4.635 4.340 -0.001 0.000 0.284 679 R C 1.113 177.424 176.300 0.019 0.000 0.968 679 R CA -0.490 55.617 56.100 0.011 0.000 0.924 679 R CB 1.159 31.464 30.300 0.008 0.000 1.162 679 R HN 0.024 nan 8.270 nan 0.000 0.465 680 Q N 1.053 120.876 119.800 0.038 0.000 2.187 680 Q HA -0.058 4.282 4.340 -0.001 0.000 0.199 680 Q C 1.194 177.236 176.000 0.071 0.000 0.957 680 Q CA 1.215 57.059 55.803 0.068 0.000 0.857 680 Q CB 0.264 29.049 28.738 0.080 0.000 0.929 680 Q HN 0.382 nan 8.270 nan 0.000 0.453 681 R N 0.565 121.094 120.500 0.047 0.000 2.307 681 R HA -0.050 4.290 4.340 -0.001 0.000 0.199 681 R C 0.416 176.734 176.300 0.030 0.000 1.000 681 R CA 0.759 56.886 56.100 0.045 0.000 1.023 681 R CB 0.165 30.484 30.300 0.031 0.000 0.908 681 R HN 0.210 nan 8.270 nan 0.000 0.473 682 D N 0.439 120.846 120.400 0.012 0.000 2.367 682 D HA 0.073 4.713 4.640 -0.001 0.000 0.207 682 D C 0.344 176.617 176.300 -0.045 0.000 1.034 682 D CA 0.226 54.219 54.000 -0.012 0.000 0.861 682 D CB 0.267 41.055 40.800 -0.020 0.000 0.943 682 D HN 0.114 nan 8.370 nan 0.000 0.515 683 I N 2.200 122.734 120.570 -0.059 0.000 2.578 683 I HA -0.029 4.141 4.170 -0.001 0.000 0.286 683 I C 0.469 176.489 176.117 -0.162 0.000 1.126 683 I CA -0.068 61.117 61.300 -0.191 0.000 1.380 683 I CB 0.197 37.991 38.000 -0.343 0.000 1.408 683 I HN -0.296 nan 8.210 nan 0.000 0.532 684 K N 5.561 125.848 120.400 -0.188 0.000 2.355 684 K HA 0.062 4.381 4.320 -0.001 0.000 0.270 684 K C 0.388 176.876 176.600 -0.187 0.000 1.003 684 K CA -0.591 55.623 56.287 -0.122 0.000 0.957 684 K CB 0.694 33.135 32.500 -0.098 0.000 0.939 684 K HN 0.433 nan 8.250 nan 0.000 0.482 685 D N 2.481 122.886 120.400 0.008 0.000 2.311 685 D HA -0.148 4.491 4.640 -0.001 0.000 0.212 685 D C 0.944 177.277 176.300 0.055 0.000 0.972 685 D CA 1.217 55.322 54.000 0.175 0.000 0.887 685 D CB 0.045 40.991 40.800 0.242 0.000 0.915 685 D HN 0.591 nan 8.370 nan 0.000 0.497 686 E N 0.352 120.525 120.200 -0.044 0.000 2.204 686 E HA -0.091 4.259 4.350 -0.001 0.000 0.194 686 E C 2.146 178.687 176.600 -0.098 0.000 0.989 686 E CA 0.451 56.828 56.400 -0.038 0.000 0.824 686 E CB 0.048 29.723 29.700 -0.041 0.000 0.756 686 E HN 0.145 nan 8.360 nan 0.000 0.477 687 V N 0.477 120.226 119.914 -0.276 0.000 2.343 687 V HA -0.232 3.888 4.120 -0.001 0.000 0.247 687 V C 1.845 177.803 176.094 -0.228 0.000 1.051 687 V CA 1.864 63.960 62.300 -0.341 0.000 1.036 687 V CB -0.814 30.646 31.823 -0.606 0.000 0.654 687 V HN 0.404 nan 8.190 nan 0.000 0.451 688 W N 0.363 121.669 121.300 0.010 0.000 2.363 688 W HA -0.155 4.504 4.660 -0.001 0.000 0.296 688 W C 2.268 178.788 176.519 0.002 0.000 1.212 688 W CA 0.980 58.326 57.345 0.001 0.000 1.260 688 W CB -0.567 28.890 29.460 -0.004 0.000 1.131 688 W HN 0.246 nan 8.180 nan 0.000 0.530 689 D N 0.414 120.929 120.400 0.191 0.000 2.117 689 D HA -0.183 4.456 4.640 -0.001 0.000 0.197 689 D C 2.244 178.594 176.300 0.084 0.000 0.987 689 D CA 2.056 56.127 54.000 0.118 0.000 0.829 689 D CB -0.407 40.441 40.800 0.081 0.000 0.961 689 D HN 0.011 nan 8.370 nan 0.000 0.460 690 A N -0.014 122.839 122.820 0.055 0.000 1.858 690 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 690 A C 2.113 179.740 177.584 0.071 0.000 1.190 690 A CA 1.170 53.234 52.037 0.046 0.000 0.617 690 A CB -0.960 18.047 19.000 0.012 0.000 0.827 690 A HN 0.327 nan 8.150 nan 0.000 0.443 691 L N -0.233 121.037 121.223 0.078 0.000 2.017 691 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 691 L C 2.336 179.235 176.870 0.048 0.000 1.073 691 L CA 2.515 57.404 54.840 0.080 0.000 0.745 691 L CB -0.931 41.192 42.059 0.108 0.000 0.894 691 L HN 0.517 nan 8.230 nan 0.000 0.432 692 E N -0.398 119.845 120.200 0.071 0.000 2.219 692 E HA -0.259 4.090 4.350 -0.001 0.000 0.198 692 E C 2.142 178.781 176.600 0.064 0.000 0.998 692 E CA 1.449 57.878 56.400 0.047 0.000 0.818 692 E CB -0.020 29.723 29.700 0.070 0.000 0.741 692 E HN 0.564 nan 8.360 nan 0.000 0.477 693 E N -1.172 119.079 120.200 0.084 0.000 2.086 693 E HA -0.073 4.277 4.350 -0.001 0.000 0.190 693 E C 1.902 178.579 176.600 0.128 0.000 0.975 693 E CA 0.865 57.328 56.400 0.104 0.000 0.813 693 E CB 0.254 29.999 29.700 0.075 0.000 0.768 693 E HN 0.147 nan 8.360 nan 0.000 0.457 694 V N 1.353 121.340 119.914 0.121 0.000 2.407 694 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 694 V C 2.211 178.404 176.094 0.166 0.000 1.055 694 V CA 1.393 63.799 62.300 0.176 0.000 1.049 694 V CB -0.232 31.727 31.823 0.227 0.000 0.662 694 V HN 0.334 nan 8.190 nan 0.000 0.455 695 I N -0.881 119.716 120.570 0.046 0.000 3.812 695 I HA 0.015 4.185 4.170 -0.001 0.000 0.320 695 I C 2.062 178.202 176.117 0.039 0.000 1.276 695 I CA 0.279 61.556 61.300 -0.038 0.000 1.164 695 I CB -0.258 37.534 38.000 -0.347 0.000 1.009 695 I HN 0.417 nan 8.210 nan 0.000 0.431 696 H N 1.386 120.465 119.070 0.016 0.000 2.273 696 H HA -0.292 4.264 4.556 -0.001 0.000 0.284 696 H C 1.685 177.036 175.328 0.038 0.000 1.113 696 H CA 2.513 58.579 56.048 0.029 0.000 1.169 696 H CB -0.361 29.427 29.762 0.044 0.000 1.349 696 H HN 0.342 nan 8.280 nan 0.000 0.484 697 G N -0.292 108.543 108.800 0.059 0.000 3.695 697 G HA2 0.151 4.111 3.960 -0.001 0.000 0.277 697 G HA3 0.151 4.111 3.960 -0.001 0.000 0.277 697 G C -0.275 174.662 174.900 0.061 0.000 1.001 697 G CA -0.475 44.628 45.100 0.005 0.000 0.837 697 G HN 0.146 nan 8.290 nan 0.000 0.492 698 K N 0.829 121.278 120.400 0.083 0.000 2.168 698 K HA 0.508 4.828 4.320 -0.001 0.000 0.258 698 K C -0.019 176.631 176.600 0.083 0.000 1.010 698 K CA -0.209 56.133 56.287 0.092 0.000 0.929 698 K CB 2.190 34.778 32.500 0.146 0.000 0.998 698 K HN 0.182 nan 8.250 nan 0.000 0.479 699 V N -1.784 118.182 119.914 0.085 0.000 2.962 699 V HA 0.684 4.804 4.120 -0.001 0.000 0.313 699 V C -0.256 175.917 176.094 0.131 0.000 1.099 699 V CA -1.060 61.295 62.300 0.091 0.000 0.971 699 V CB 1.646 33.497 31.823 0.047 0.000 1.028 699 V HN 0.550 nan 8.190 nan 0.000 0.430 700 V N 1.003 121.019 119.914 0.169 0.000 3.103 700 V HA 0.848 4.967 4.120 -0.001 0.000 0.318 700 V C -0.749 175.460 176.094 0.191 0.000 1.114 700 V CA -0.909 61.499 62.300 0.180 0.000 1.020 700 V CB 1.723 33.683 31.823 0.228 0.000 1.085 700 V HN 0.830 nan 8.190 nan 0.000 0.446 701 L N 1.676 123.007 121.223 0.180 0.000 2.334 701 L HA 0.731 5.071 4.340 -0.001 0.000 0.272 701 L C -0.474 176.478 176.870 0.137 0.000 1.020 701 L CA -0.437 54.519 54.840 0.194 0.000 0.812 701 L CB 1.332 43.496 42.059 0.175 0.000 1.264 701 L HN 0.611 nan 8.230 nan 0.000 0.439 702 L N 2.127 123.450 121.223 0.167 0.000 2.365 702 L HA 0.502 4.841 4.340 -0.001 0.000 0.273 702 L C -0.263 176.636 176.870 0.049 0.000 1.000 702 L CA -0.095 54.748 54.840 0.006 0.000 0.819 702 L CB 1.711 43.674 42.059 -0.160 0.000 1.284 702 L HN 0.580 nan 8.230 nan 0.000 0.418 703 N N 1.095 119.742 118.700 -0.089 0.000 2.314 703 N HA 0.618 5.358 4.740 -0.001 0.000 0.304 703 N C -0.894 174.551 175.510 -0.109 0.000 1.073 703 N CA -0.790 52.251 53.050 -0.016 0.000 0.822 703 N CB 1.840 40.281 38.487 -0.076 0.000 1.280 703 N HN 0.487 nan 8.380 nan 0.000 0.489 704 R N 2.244 122.765 120.500 0.034 0.000 2.691 704 R HA 0.608 4.947 4.340 -0.001 0.000 0.259 704 R C 0.546 176.848 176.300 0.003 0.000 1.048 704 R CA 0.103 56.197 56.100 -0.010 0.000 1.086 704 R CB 0.491 30.933 30.300 0.237 0.000 1.166 704 R HN 0.620 nan 8.270 nan 0.000 0.526 705 A N 2.095 124.900 122.820 -0.026 0.000 2.021 705 A HA 0.042 4.362 4.320 -0.001 0.000 0.206 705 A C -1.297 176.283 177.584 -0.006 0.000 1.210 705 A CA 1.162 53.184 52.037 -0.026 0.000 0.733 705 A CB -1.829 17.148 19.000 -0.039 0.000 0.839 705 A HN 0.704 nan 8.150 nan 0.000 0.495 706 P HA 0.311 nan 4.420 nan 0.000 0.293 706 P C -1.039 176.264 177.300 0.006 0.000 1.313 706 P CA -0.039 63.055 63.100 -0.010 0.000 0.787 706 P CB 1.101 32.784 31.700 -0.029 0.000 0.910 707 T N 2.969 117.538 114.554 0.024 0.000 3.162 707 T HA 0.141 4.490 4.350 -0.001 0.000 0.264 707 T C 1.256 175.967 174.700 0.018 0.000 0.959 707 T CA -0.096 62.034 62.100 0.050 0.000 1.118 707 T CB -0.425 68.482 68.868 0.065 0.000 0.979 707 T HN 0.223 nan 8.240 nan 0.000 0.679 708 L N 1.566 122.766 121.223 -0.038 0.000 2.145 708 L HA 0.176 4.516 4.340 -0.001 0.000 0.201 708 L C 1.632 178.494 176.870 -0.014 0.000 1.075 708 L CA 0.620 55.410 54.840 -0.082 0.000 0.773 708 L CB -0.171 41.770 42.059 -0.196 0.000 0.936 708 L HN 0.777 nan 8.230 nan 0.000 0.451 709 H N -2.379 116.682 119.070 -0.015 0.000 2.771 709 H HA 0.321 4.876 4.556 -0.001 0.000 0.344 709 H C 0.646 175.956 175.328 -0.029 0.000 1.260 709 H CA -0.917 55.115 56.048 -0.027 0.000 1.276 709 H CB 0.997 30.734 29.762 -0.043 0.000 1.881 709 H HN -0.074 nan 8.280 nan 0.000 0.615 710 R N 0.206 120.758 120.500 0.087 0.000 2.127 710 R HA -0.094 4.246 4.340 -0.001 0.000 0.238 710 R C 1.202 177.466 176.300 -0.059 0.000 1.134 710 R CA 1.593 57.697 56.100 0.007 0.000 0.975 710 R CB -0.531 29.754 30.300 -0.025 0.000 0.865 710 R HN 0.495 nan 8.270 nan 0.000 0.447 711 L N 1.419 122.493 121.223 -0.248 0.000 2.622 711 L HA 0.104 4.443 4.340 -0.001 0.000 0.233 711 L C 2.247 178.948 176.870 -0.282 0.000 1.156 711 L CA 0.876 55.503 54.840 -0.356 0.000 0.866 711 L CB -0.101 41.569 42.059 -0.648 0.000 0.980 711 L HN 0.509 nan 8.230 nan 0.000 0.448 712 G N 0.051 108.901 108.800 0.084 0.000 2.535 712 G HA2 -0.073 3.887 3.960 -0.001 0.000 0.218 712 G HA3 -0.073 3.887 3.960 -0.001 0.000 0.218 712 G C 0.724 175.790 174.900 0.277 0.000 1.122 712 G CA 0.348 45.545 45.100 0.162 0.000 0.769 712 G HN 0.341 nan 8.290 nan 0.000 0.549 713 I N -0.646 120.025 120.570 0.168 0.000 2.533 713 I HA 0.412 4.581 4.170 -0.001 0.000 0.290 713 I C -0.807 175.441 176.117 0.218 0.000 1.056 713 I CA -0.633 60.847 61.300 0.301 0.000 1.057 713 I CB 2.239 40.352 38.000 0.188 0.000 1.240 713 I HN -0.078 nan 8.210 nan 0.000 0.423 714 Q N 3.295 123.345 119.800 0.417 0.000 2.456 714 Q HA 0.759 5.098 4.340 -0.001 0.000 0.284 714 Q C -1.278 174.974 176.000 0.420 0.000 1.061 714 Q CA -1.012 54.995 55.803 0.340 0.000 0.799 714 Q CB 3.372 32.356 28.738 0.410 0.000 1.445 714 Q HN 0.788 nan 8.270 nan 0.000 0.411 715 A N 1.458 124.375 122.820 0.162 0.000 2.304 715 A HA 0.823 5.143 4.320 -0.001 0.000 0.323 715 A C -1.336 176.240 177.584 -0.014 0.000 1.195 715 A CA -0.154 51.978 52.037 0.159 0.000 0.826 715 A CB 0.320 19.343 19.000 0.040 0.000 1.184 715 A HN 0.481 nan 8.150 nan 0.000 0.496 716 F N -0.476 119.476 119.950 0.003 0.000 2.620 716 F HA 0.456 4.982 4.527 -0.001 0.000 0.320 716 F C 0.341 176.065 175.800 -0.127 0.000 1.069 716 F CA -0.577 57.383 58.000 -0.067 0.000 0.953 716 F CB 2.146 41.129 39.000 -0.029 0.000 1.322 716 F HN 0.618 nan 8.300 nan 0.000 0.479 717 Q N 3.466 123.202 119.800 -0.107 0.000 2.344 717 Q HA 0.328 4.668 4.340 -0.001 0.000 0.253 717 Q C -2.577 173.373 176.000 -0.084 0.000 1.050 717 Q CA -1.819 53.870 55.803 -0.190 0.000 0.912 717 Q CB 0.913 29.334 28.738 -0.528 0.000 1.258 717 Q HN 0.125 nan 8.270 nan 0.000 0.443 718 P HA -0.022 nan 4.420 nan 0.000 0.271 718 P C -1.237 176.010 177.300 -0.089 0.000 1.226 718 P CA 0.008 63.069 63.100 -0.065 0.000 0.765 718 P CB 0.794 32.435 31.700 -0.099 0.000 0.835 719 V N 5.647 125.518 119.914 -0.072 0.000 2.250 719 V HA 0.116 4.235 4.120 -0.001 0.000 0.268 719 V C 0.378 176.428 176.094 -0.073 0.000 1.043 719 V CA -0.877 61.384 62.300 -0.065 0.000 0.814 719 V CB 0.503 32.302 31.823 -0.041 0.000 1.072 719 V HN 0.428 nan 8.190 nan 0.000 0.451 720 L N 5.555 126.726 121.223 -0.087 0.000 2.720 720 L HA 0.031 4.370 4.340 -0.001 0.000 0.289 720 L C 0.224 177.039 176.870 -0.091 0.000 1.232 720 L CA 1.232 56.017 54.840 -0.091 0.000 0.915 720 L CB 0.406 42.416 42.059 -0.082 0.000 1.184 720 L HN 0.625 nan 8.230 nan 0.000 0.491 721 V N 0.859 120.713 119.914 -0.100 0.000 3.160 721 V HA 0.680 4.800 4.120 -0.001 0.000 0.310 721 V C -0.414 175.602 176.094 -0.130 0.000 1.181 721 V CA -1.244 60.991 62.300 -0.108 0.000 1.047 721 V CB 1.920 33.688 31.823 -0.092 0.000 1.068 721 V HN 0.560 nan 8.190 nan 0.000 0.441 722 E N 1.155 121.273 120.200 -0.137 0.000 2.373 722 E HA 0.641 4.991 4.350 -0.001 0.000 0.263 722 E C 0.576 177.107 176.600 -0.115 0.000 1.073 722 E CA 0.899 57.209 56.400 -0.150 0.000 0.894 722 E CB 0.959 30.571 29.700 -0.146 0.000 1.008 722 E HN 1.670 nan 8.360 nan 0.000 0.420 723 G N 1.375 110.110 108.800 -0.108 0.000 2.627 723 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.214 723 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.214 723 G C 0.473 175.335 174.900 -0.063 0.000 1.331 723 G CA 0.280 45.332 45.100 -0.080 0.000 0.891 723 G HN 0.577 nan 8.290 nan 0.000 0.539 724 Q N -0.557 119.212 119.800 -0.052 0.000 2.226 724 Q HA 0.303 4.642 4.340 -0.001 0.000 0.199 724 Q C 1.511 177.486 176.000 -0.041 0.000 0.945 724 Q CA 1.349 57.129 55.803 -0.039 0.000 0.861 724 Q CB -0.056 28.662 28.738 -0.032 0.000 0.953 724 Q HN 0.866 nan 8.270 nan 0.000 0.490 725 S N 0.952 116.621 115.700 -0.052 0.000 2.584 725 S HA 0.299 4.769 4.470 -0.001 0.000 0.270 725 S C 0.068 174.633 174.600 -0.059 0.000 1.346 725 S CA -0.382 57.786 58.200 -0.053 0.000 1.018 725 S CB 0.749 63.908 63.200 -0.070 0.000 0.899 725 S HN 0.333 nan 8.310 nan 0.000 0.542 726 I N 1.691 122.229 120.570 -0.053 0.000 2.330 726 I HA 0.216 4.385 4.170 -0.001 0.000 0.289 726 I C -0.039 176.037 176.117 -0.069 0.000 1.001 726 I CA -0.407 60.854 61.300 -0.064 0.000 1.193 726 I CB 1.349 39.307 38.000 -0.069 0.000 1.345 726 I HN 0.566 nan 8.210 nan 0.000 0.461 727 Q N 5.319 125.066 119.800 -0.088 0.000 2.323 727 Q HA 0.374 4.714 4.340 -0.001 0.000 0.257 727 Q C -0.856 175.093 176.000 -0.085 0.000 1.022 727 Q CA -0.197 55.548 55.803 -0.096 0.000 0.919 727 Q CB 1.409 30.089 28.738 -0.097 0.000 1.220 727 Q HN 0.458 nan 8.270 nan 0.000 0.427 728 L N 2.654 123.863 121.223 -0.024 0.000 2.322 728 L HA 0.344 4.683 4.340 -0.001 0.000 0.279 728 L C -0.419 176.523 176.870 0.120 0.000 1.036 728 L CA -0.606 54.228 54.840 -0.009 0.000 0.807 728 L CB 1.047 43.147 42.059 0.069 0.000 1.226 728 L HN 0.609 nan 8.230 nan 0.000 0.433 729 H N 5.781 124.896 119.070 0.075 0.000 2.815 729 H HA 0.155 4.710 4.556 -0.001 0.000 0.350 729 H C -2.003 173.489 175.328 0.274 0.000 1.080 729 H CA -1.174 54.999 56.048 0.209 0.000 1.433 729 H CB 1.604 31.557 29.762 0.318 0.000 1.432 729 H HN 0.523 nan 8.280 nan 0.000 0.592 730 P HA -0.140 nan 4.420 nan 0.000 0.216 730 P C 2.013 179.579 177.300 0.443 0.000 1.153 730 P CA 0.658 63.937 63.100 0.299 0.000 0.844 730 P CB 0.548 32.414 31.700 0.277 0.000 0.787 731 L N 0.293 121.927 121.223 0.685 0.000 2.083 731 L HA -0.102 4.237 4.340 -0.001 0.000 0.209 731 L C 2.349 179.413 176.870 0.324 0.000 1.083 731 L CA 1.587 56.683 54.840 0.427 0.000 0.752 731 L CB -0.494 41.756 42.059 0.318 0.000 0.899 731 L HN -0.094 nan 8.230 nan 0.000 0.433 732 V N -5.515 114.646 119.914 0.412 0.000 3.380 732 V HA -0.137 3.983 4.120 -0.001 0.000 0.268 732 V C 2.149 178.470 176.094 0.378 0.000 1.168 732 V CA 0.644 63.164 62.300 0.367 0.000 1.156 732 V CB -1.253 30.921 31.823 0.584 0.000 0.785 732 V HN 0.418 nan 8.190 nan 0.000 0.487 733 C N 0.345 119.839 119.300 0.325 0.000 2.430 733 C HA -0.021 4.438 4.460 -0.001 0.000 0.288 733 C C 2.615 177.708 174.990 0.171 0.000 1.448 733 C CA 1.022 60.171 59.018 0.218 0.000 1.784 733 C CB -1.235 26.597 27.740 0.152 0.000 1.776 733 C HN 0.645 nan 8.230 nan 0.000 0.547 734 E N 0.550 120.851 120.200 0.168 0.000 2.216 734 E HA 0.060 4.409 4.350 -0.001 0.000 0.192 734 E C 2.303 178.971 176.600 0.114 0.000 0.973 734 E CA 0.923 57.394 56.400 0.117 0.000 0.851 734 E CB -0.134 29.626 29.700 0.100 0.000 0.804 734 E HN 0.581 nan 8.360 nan 0.000 0.477 735 A N 0.965 123.839 122.820 0.089 0.000 1.835 735 A HA -0.090 4.229 4.320 -0.001 0.000 0.215 735 A C 0.751 178.385 177.584 0.085 0.000 1.199 735 A CA 0.835 52.883 52.037 0.017 0.000 0.615 735 A CB -0.702 18.144 19.000 -0.256 0.000 0.838 735 A HN 0.122 nan 8.150 nan 0.000 0.444 736 F N 0.485 120.526 119.950 0.150 0.000 2.445 736 F HA 0.278 4.805 4.527 -0.001 0.000 0.359 736 F C 0.626 176.423 175.800 -0.004 0.000 1.101 736 F CA -0.786 57.255 58.000 0.069 0.000 1.177 736 F CB -0.122 38.889 39.000 0.018 0.000 1.110 736 F HN 0.276 nan 8.300 nan 0.000 0.522 737 N N 2.991 121.766 118.700 0.126 0.000 2.484 737 N HA 0.327 5.066 4.740 -0.001 0.000 0.295 737 N C -1.038 174.473 175.510 0.002 0.000 1.240 737 N CA 0.113 53.184 53.050 0.036 0.000 1.085 737 N CB -0.041 38.433 38.487 -0.022 0.000 1.465 737 N HN 0.718 nan 8.380 nan 0.000 0.496 738 A N 2.932 125.731 122.820 -0.035 0.000 2.402 738 A HA 0.434 4.753 4.320 -0.001 0.000 0.291 738 A C -1.059 176.326 177.584 -0.332 0.000 1.051 738 A CA -0.994 50.936 52.037 -0.178 0.000 0.716 738 A CB 0.905 19.767 19.000 -0.229 0.000 1.223 738 A HN 0.691 nan 8.150 nan 0.000 0.425 739 D N 0.427 120.641 120.400 -0.310 0.000 2.539 739 D HA 0.570 5.209 4.640 -0.001 0.000 0.276 739 D C -0.297 175.704 176.300 -0.500 0.000 1.206 739 D CA -0.380 53.422 54.000 -0.329 0.000 1.081 739 D CB 0.289 41.025 40.800 -0.107 0.000 1.142 739 D HN 0.346 nan 8.370 nan 0.000 0.595 740 F N -0.435 119.499 119.950 -0.027 0.000 2.855 740 F HA 0.182 4.709 4.527 -0.001 0.000 0.317 740 F C 0.417 176.192 175.800 -0.041 0.000 1.169 740 F CA -0.551 57.424 58.000 -0.041 0.000 1.299 740 F CB 0.178 39.149 39.000 -0.049 0.000 0.962 740 F HN 0.150 nan 8.300 nan 0.000 0.506 741 D N -1.107 119.333 120.400 0.067 0.000 2.352 741 D HA 0.190 4.830 4.640 -0.001 0.000 0.232 741 D C 1.754 178.069 176.300 0.025 0.000 1.055 741 D CA 0.804 54.827 54.000 0.039 0.000 0.891 741 D CB 0.145 40.949 40.800 0.007 0.000 0.897 741 D HN 0.334 nan 8.370 nan 0.000 0.529 742 G N -0.196 108.625 108.800 0.035 0.000 2.370 742 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.174 742 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.174 742 G C -0.656 174.237 174.900 -0.012 0.000 1.002 742 G CA -0.545 44.565 45.100 0.017 0.000 0.730 742 G HN 0.241 nan 8.290 nan 0.000 0.497 743 D N 1.290 121.663 120.400 -0.044 0.000 2.506 743 D HA 0.400 5.039 4.640 -0.001 0.000 0.234 743 D C 0.699 176.955 176.300 -0.074 0.000 1.143 743 D CA 0.910 54.861 54.000 -0.082 0.000 0.871 743 D CB 0.534 41.242 40.800 -0.152 0.000 1.190 743 D HN 0.458 nan 8.370 nan 0.000 0.459 744 Q N 1.007 120.761 119.800 -0.077 0.000 2.337 744 Q HA 0.592 4.932 4.340 -0.001 0.000 0.266 744 Q C -0.543 175.391 176.000 -0.111 0.000 1.023 744 Q CA -0.629 55.129 55.803 -0.076 0.000 0.829 744 Q CB 2.190 30.897 28.738 -0.052 0.000 1.306 744 Q HN 0.355 nan 8.270 nan 0.000 0.449 745 M N 1.394 120.913 119.600 -0.135 0.000 2.456 745 M HA 0.621 5.100 4.480 -0.001 0.000 0.324 745 M C -0.616 175.599 176.300 -0.142 0.000 1.124 745 M CA -0.630 54.559 55.300 -0.184 0.000 0.959 745 M CB 2.048 34.462 32.600 -0.310 0.000 1.692 745 M HN 0.725 nan 8.290 nan 0.000 0.444 746 A N 2.130 124.865 122.820 -0.141 0.000 2.257 746 A HA 0.804 5.123 4.320 -0.001 0.000 0.289 746 A C -0.903 176.595 177.584 -0.145 0.000 1.095 746 A CA -0.608 51.352 52.037 -0.128 0.000 0.836 746 A CB 1.083 19.989 19.000 -0.155 0.000 1.111 746 A HN 0.655 nan 8.150 nan 0.000 0.497 747 V N 0.958 120.813 119.914 -0.099 0.000 2.808 747 V HA 0.591 4.711 4.120 -0.001 0.000 0.308 747 V C -1.502 174.664 176.094 0.120 0.000 1.099 747 V CA -0.561 61.726 62.300 -0.023 0.000 0.920 747 V CB 1.921 33.763 31.823 0.032 0.000 1.014 747 V HN 1.055 nan 8.190 nan 0.000 0.425 748 H N 3.089 122.202 119.070 0.072 0.000 2.797 748 H HA 0.823 5.379 4.556 -0.001 0.000 0.362 748 H C -0.994 174.358 175.328 0.040 0.000 1.183 748 H CA -0.717 55.370 56.048 0.065 0.000 1.197 748 H CB 2.318 32.117 29.762 0.062 0.000 1.835 748 H HN 0.462 nan 8.280 nan 0.000 0.567 749 V N 2.611 122.580 119.914 0.092 0.000 2.577 749 V HA 0.307 4.426 4.120 -0.001 0.000 0.303 749 V C -2.375 173.626 176.094 -0.155 0.000 1.042 749 V CA -1.697 60.536 62.300 -0.112 0.000 0.872 749 V CB 1.712 33.300 31.823 -0.391 0.000 0.998 749 V HN 0.616 nan 8.190 nan 0.000 0.423 750 P HA 0.382 nan 4.420 nan 0.000 0.280 750 P C 0.580 177.800 177.300 -0.134 0.000 1.300 750 P CA -0.172 62.878 63.100 -0.083 0.000 0.785 750 P CB 0.868 32.557 31.700 -0.018 0.000 0.874 751 L N 1.313 122.468 121.223 -0.113 0.000 2.102 751 L HA -0.012 4.327 4.340 -0.001 0.000 0.202 751 L C 1.405 178.315 176.870 0.066 0.000 1.076 751 L CA 0.844 55.651 54.840 -0.055 0.000 0.761 751 L CB -0.650 41.319 42.059 -0.149 0.000 0.921 751 L HN 0.375 nan 8.230 nan 0.000 0.444 752 S N -1.276 114.451 115.700 0.046 0.000 2.603 752 S HA 0.013 4.483 4.470 -0.001 0.000 0.268 752 S C 1.264 175.932 174.600 0.113 0.000 1.317 752 S CA -0.016 58.236 58.200 0.087 0.000 1.012 752 S CB 1.573 64.831 63.200 0.097 0.000 0.926 752 S HN 0.125 nan 8.310 nan 0.000 0.539 753 S N 1.410 117.180 115.700 0.117 0.000 2.442 753 S HA -0.063 4.407 4.470 -0.001 0.000 0.236 753 S C 1.237 175.875 174.600 0.062 0.000 1.007 753 S CA 0.974 59.223 58.200 0.082 0.000 0.965 753 S CB -0.823 62.409 63.200 0.053 0.000 0.773 753 S HN 0.704 nan 8.310 nan 0.000 0.504 754 F N 1.698 121.649 119.950 0.002 0.000 2.074 754 F HA 0.049 4.575 4.527 -0.001 0.000 0.293 754 F C 2.490 178.290 175.800 -0.001 0.000 1.116 754 F CA 1.151 59.148 58.000 -0.004 0.000 1.212 754 F CB -0.682 38.309 39.000 -0.014 0.000 0.998 754 F HN 0.256 nan 8.300 nan 0.000 0.471 755 A N -0.512 122.458 122.820 0.249 0.000 1.917 755 A HA -0.339 3.981 4.320 -0.001 0.000 0.219 755 A C 1.983 179.618 177.584 0.084 0.000 1.182 755 A CA 2.190 54.311 52.037 0.141 0.000 0.633 755 A CB -1.008 18.038 19.000 0.077 0.000 0.819 755 A HN 0.490 nan 8.150 nan 0.000 0.448 756 Q N -0.523 119.311 119.800 0.057 0.000 2.119 756 Q HA 0.026 4.365 4.340 -0.001 0.000 0.201 756 Q C 2.103 178.109 176.000 0.010 0.000 0.972 756 Q CA 1.882 57.701 55.803 0.026 0.000 0.847 756 Q CB -0.585 28.165 28.738 0.021 0.000 0.903 756 Q HN 0.587 nan 8.270 nan 0.000 0.433 757 A N 1.348 124.158 122.820 -0.017 0.000 1.842 757 A HA -0.315 4.005 4.320 -0.001 0.000 0.217 757 A C 1.941 179.505 177.584 -0.032 0.000 1.206 757 A CA 2.198 54.192 52.037 -0.072 0.000 0.630 757 A CB -1.143 17.726 19.000 -0.219 0.000 0.839 757 A HN 0.685 nan 8.150 nan 0.000 0.447 758 E N 0.037 120.241 120.200 0.006 0.000 2.097 758 E HA -0.168 4.182 4.350 -0.001 0.000 0.196 758 E C 2.068 178.689 176.600 0.034 0.000 1.000 758 E CA 1.407 57.833 56.400 0.044 0.000 0.804 758 E CB -0.596 29.171 29.700 0.112 0.000 0.740 758 E HN 0.525 nan 8.360 nan 0.000 0.454 759 A N 2.177 125.019 122.820 0.037 0.000 1.978 759 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 759 A C 2.324 179.905 177.584 -0.005 0.000 1.170 759 A CA 1.847 53.902 52.037 0.030 0.000 0.636 759 A CB -0.650 18.375 19.000 0.042 0.000 0.810 759 A HN 0.390 nan 8.150 nan 0.000 0.448 760 R N -1.062 119.427 120.500 -0.017 0.000 2.362 760 R HA 0.354 4.693 4.340 -0.001 0.000 0.227 760 R C 1.038 177.285 176.300 -0.088 0.000 0.905 760 R CA 0.589 56.655 56.100 -0.056 0.000 1.067 760 R CB -0.130 30.155 30.300 -0.025 0.000 1.078 760 R HN 0.468 nan 8.270 nan 0.000 0.516 761 I N 0.538 121.090 120.570 -0.030 0.000 3.445 761 I HA -0.031 4.138 4.170 -0.001 0.000 0.288 761 I C 1.868 178.044 176.117 0.099 0.000 1.198 761 I CA 0.379 61.699 61.300 0.035 0.000 1.417 761 I CB 0.487 38.503 38.000 0.027 0.000 1.205 761 I HN 0.233 nan 8.210 nan 0.000 0.448 762 Q N -0.525 119.305 119.800 0.048 0.000 2.179 762 Q HA 0.241 4.581 4.340 -0.001 0.000 0.244 762 Q C 1.621 177.638 176.000 0.029 0.000 0.808 762 Q CA 0.102 55.941 55.803 0.060 0.000 0.955 762 Q CB 0.544 29.314 28.738 0.054 0.000 1.141 762 Q HN 0.342 nan 8.270 nan 0.000 0.485 763 M N 1.330 120.931 119.600 0.002 0.000 2.308 763 M HA 0.239 4.718 4.480 -0.001 0.000 0.269 763 M C -0.147 176.119 176.300 -0.058 0.000 1.040 763 M CA -0.375 54.921 55.300 -0.006 0.000 1.024 763 M CB 0.805 33.420 32.600 0.026 0.000 1.465 763 M HN 0.315 nan 8.290 nan 0.000 0.517 764 L N -1.264 119.885 121.223 -0.125 0.000 2.492 764 L HA 0.201 4.540 4.340 -0.001 0.000 0.280 764 L C 1.186 177.884 176.870 -0.286 0.000 1.240 764 L CA 0.414 55.106 54.840 -0.246 0.000 0.831 764 L CB -0.001 41.839 42.059 -0.365 0.000 1.100 764 L HN 0.100 nan 8.230 nan 0.000 0.505 765 S N 2.547 117.940 115.700 -0.512 0.000 2.380 765 S HA -0.198 4.272 4.470 -0.001 0.000 0.217 765 S C 1.954 176.409 174.600 -0.242 0.000 1.036 765 S CA 1.699 59.610 58.200 -0.480 0.000 1.050 765 S CB -0.937 61.675 63.200 -0.980 0.000 1.016 765 S HN 1.098 nan 8.310 nan 0.000 0.419 766 A N 0.639 123.325 122.820 -0.224 0.000 2.117 766 A HA -0.227 4.092 4.320 -0.001 0.000 0.224 766 A C 1.826 179.521 177.584 0.184 0.000 1.167 766 A CA 2.391 54.415 52.037 -0.022 0.000 0.664 766 A CB -1.165 17.847 19.000 0.019 0.000 0.811 766 A HN 0.809 nan 8.150 nan 0.000 0.470 767 H N -1.074 117.948 119.070 -0.081 0.000 2.562 767 H HA 0.159 4.715 4.556 -0.001 0.000 0.267 767 H C 0.349 175.655 175.328 -0.037 0.000 0.959 767 H CA 0.161 56.187 56.048 -0.036 0.000 1.204 767 H CB 0.152 29.894 29.762 -0.033 0.000 1.430 767 H HN 0.423 nan 8.280 nan 0.000 0.545 768 N N 1.242 119.965 118.700 0.039 0.000 3.170 768 N HA 0.096 4.836 4.740 -0.001 0.000 0.305 768 N C 0.656 176.111 175.510 -0.092 0.000 1.499 768 N CA 0.033 53.060 53.050 -0.037 0.000 1.110 768 N CB 0.712 39.157 38.487 -0.070 0.000 1.390 768 N HN 0.258 nan 8.380 nan 0.000 0.508 769 L N -0.106 121.050 121.223 -0.112 0.000 2.131 769 L HA 0.143 4.483 4.340 -0.001 0.000 0.206 769 L C 0.828 177.566 176.870 -0.221 0.000 1.087 769 L CA 0.891 55.628 54.840 -0.172 0.000 0.767 769 L CB 0.115 42.038 42.059 -0.227 0.000 0.917 769 L HN 0.225 nan 8.230 nan 0.000 0.441 770 L N -0.787 120.277 121.223 -0.265 0.000 2.379 770 L HA 0.216 4.555 4.340 -0.001 0.000 0.269 770 L C 0.482 177.288 176.870 -0.107 0.000 1.084 770 L CA -0.160 54.560 54.840 -0.201 0.000 0.802 770 L CB 1.470 43.401 42.059 -0.212 0.000 1.175 770 L HN -0.062 nan 8.230 nan 0.000 0.448 771 S N 1.113 116.777 115.700 -0.059 0.000 2.586 771 S HA 0.324 4.793 4.470 -0.001 0.000 0.274 771 S C -1.766 172.849 174.600 0.026 0.000 1.281 771 S CA -1.365 56.806 58.200 -0.048 0.000 1.035 771 S CB 1.315 64.502 63.200 -0.022 0.000 0.962 771 S HN 0.361 nan 8.310 nan 0.000 0.512 772 P HA 0.077 nan 4.420 nan 0.000 0.223 772 P C 0.976 178.379 177.300 0.170 0.000 1.151 772 P CA 0.824 63.984 63.100 0.099 0.000 0.787 772 P CB 0.053 31.774 31.700 0.035 0.000 0.788 773 A N -0.179 122.677 122.820 0.060 0.000 1.832 773 A HA -0.000 4.319 4.320 -0.001 0.000 0.214 773 A C 1.292 179.040 177.584 0.273 0.000 1.200 773 A CA 1.750 53.819 52.037 0.052 0.000 0.610 773 A CB -1.054 17.974 19.000 0.046 0.000 0.842 773 A HN 0.342 nan 8.150 nan 0.000 0.444 774 S N -2.855 112.968 115.700 0.206 0.000 2.600 774 S HA 0.555 5.025 4.470 -0.001 0.000 0.300 774 S C 0.710 175.442 174.600 0.220 0.000 1.087 774 S CA -0.055 58.284 58.200 0.232 0.000 0.965 774 S CB 1.446 64.728 63.200 0.137 0.000 1.089 774 S HN 0.795 nan 8.310 nan 0.000 0.496 775 G N 0.232 109.224 108.800 0.319 0.000 2.990 775 G HA2 0.111 4.071 3.960 -0.001 0.000 0.206 775 G HA3 0.111 4.071 3.960 -0.001 0.000 0.206 775 G C 0.268 175.217 174.900 0.080 0.000 1.169 775 G CA -0.010 45.324 45.100 0.388 0.000 0.819 775 G HN 0.657 nan 8.290 nan 0.000 0.517 776 E N 0.751 120.957 120.200 0.009 0.000 2.349 776 E HA 0.229 4.578 4.350 -0.001 0.000 0.265 776 E C -2.275 174.301 176.600 -0.040 0.000 1.064 776 E CA -1.690 54.677 56.400 -0.055 0.000 0.886 776 E CB 1.346 31.021 29.700 -0.040 0.000 1.036 776 E HN 0.069 nan 8.360 nan 0.000 0.413 777 P HA 0.127 nan 4.420 nan 0.000 0.276 777 P C -0.013 177.263 177.300 -0.040 0.000 1.252 777 P CA -0.388 62.669 63.100 -0.072 0.000 0.802 777 P CB 0.672 32.338 31.700 -0.056 0.000 1.035 778 L N 0.309 121.501 121.223 -0.052 0.000 3.016 778 L HA 0.464 4.803 4.340 -0.001 0.000 0.267 778 L C 0.878 177.746 176.870 -0.003 0.000 1.182 778 L CA 0.202 55.028 54.840 -0.023 0.000 0.997 778 L CB -0.634 41.394 42.059 -0.052 0.000 1.354 778 L HN 0.403 nan 8.230 nan 0.000 0.569 779 A N -0.169 122.646 122.820 -0.009 0.000 2.827 779 A HA 0.350 4.669 4.320 -0.001 0.000 0.300 779 A C 0.262 177.871 177.584 0.040 0.000 1.237 779 A CA -0.523 51.526 52.037 0.020 0.000 0.964 779 A CB -0.521 18.474 19.000 -0.008 0.000 1.143 779 A HN 0.271 nan 8.150 nan 0.000 0.554 780 K N 0.797 121.224 120.400 0.045 0.000 2.185 780 K HA 0.430 4.750 4.320 -0.001 0.000 0.271 780 K C -2.777 173.863 176.600 0.065 0.000 1.013 780 K CA -1.835 54.483 56.287 0.053 0.000 0.943 780 K CB 0.102 32.629 32.500 0.046 0.000 0.998 780 K HN 0.023 nan 8.250 nan 0.000 0.468 781 P HA -0.070 nan 4.420 nan 0.000 0.262 781 P C -0.404 176.938 177.300 0.070 0.000 1.182 781 P CA 0.301 63.433 63.100 0.053 0.000 0.761 781 P CB 0.915 32.640 31.700 0.041 0.000 0.795 782 S N 2.492 118.249 115.700 0.095 0.000 2.590 782 S HA 0.215 4.685 4.470 -0.001 0.000 0.282 782 S C 1.661 176.327 174.600 0.111 0.000 1.136 782 S CA -0.640 57.626 58.200 0.109 0.000 1.030 782 S CB 0.432 63.718 63.200 0.145 0.000 1.195 782 S HN 0.273 nan 8.310 nan 0.000 0.506 783 R N 0.856 121.420 120.500 0.106 0.000 2.134 783 R HA -0.157 4.182 4.340 -0.001 0.000 0.248 783 R C 1.434 177.799 176.300 0.108 0.000 1.143 783 R CA 2.142 58.293 56.100 0.084 0.000 0.957 783 R CB -1.504 28.840 30.300 0.074 0.000 0.867 783 R HN 0.587 nan 8.270 nan 0.000 0.441 784 D N 0.145 120.659 120.400 0.190 0.000 2.110 784 D HA 0.004 4.644 4.640 -0.001 0.000 0.202 784 D C 2.062 178.534 176.300 0.286 0.000 0.975 784 D CA 0.637 54.789 54.000 0.254 0.000 0.839 784 D CB -0.093 40.932 40.800 0.376 0.000 0.996 784 D HN 0.063 nan 8.370 nan 0.000 0.464 785 I N 0.918 121.644 120.570 0.260 0.000 2.163 785 I HA -0.218 3.951 4.170 -0.001 0.000 0.243 785 I C 2.394 178.570 176.117 0.097 0.000 1.085 785 I CA 0.896 62.237 61.300 0.068 0.000 1.347 785 I CB -0.511 37.414 38.000 -0.125 0.000 1.044 785 I HN 0.046 nan 8.210 nan 0.000 0.408 786 I N -0.039 120.585 120.570 0.090 0.000 2.226 786 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 786 I C 2.461 178.648 176.117 0.116 0.000 1.100 786 I CA 1.078 62.429 61.300 0.086 0.000 1.374 786 I CB -0.503 37.533 38.000 0.060 0.000 1.057 786 I HN 0.270 nan 8.210 nan 0.000 0.413 787 L N 1.461 122.741 121.223 0.094 0.000 2.127 787 L HA -0.075 4.264 4.340 -0.001 0.000 0.211 787 L C 2.189 179.167 176.870 0.180 0.000 1.089 787 L CA 2.204 57.091 54.840 0.079 0.000 0.757 787 L CB -1.291 40.789 42.059 0.036 0.000 0.899 787 L HN 0.160 nan 8.230 nan 0.000 0.434 788 G N -0.489 108.439 108.800 0.213 0.000 2.395 788 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.214 788 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.214 788 G C 1.489 176.630 174.900 0.400 0.000 1.177 788 G CA 0.764 46.051 45.100 0.313 0.000 0.794 788 G HN 0.457 nan 8.290 nan 0.000 0.532 789 L N -0.896 120.497 121.223 0.284 0.000 2.376 789 L HA 0.118 4.457 4.340 -0.001 0.000 0.219 789 L C 2.399 179.314 176.870 0.075 0.000 1.133 789 L CA 0.352 55.308 54.840 0.193 0.000 0.816 789 L CB -0.348 41.740 42.059 0.050 0.000 0.933 789 L HN 0.221 nan 8.230 nan 0.000 0.449 790 Y N 0.080 120.395 120.300 0.024 0.000 2.134 790 Y HA -0.303 4.246 4.550 -0.001 0.000 0.283 790 Y C 2.744 178.653 175.900 0.015 0.000 1.108 790 Y CA 1.399 59.472 58.100 -0.045 0.000 1.096 790 Y CB -0.717 37.695 38.460 -0.080 0.000 1.005 790 Y HN 0.090 nan 8.280 nan 0.000 0.487 791 Y N 1.203 121.719 120.300 0.361 0.000 2.096 791 Y HA -0.390 4.159 4.550 -0.001 0.000 0.276 791 Y C 2.435 178.521 175.900 0.310 0.000 1.209 791 Y CA 2.427 60.785 58.100 0.431 0.000 1.137 791 Y CB -0.895 37.765 38.460 0.334 0.000 0.956 791 Y HN 0.406 nan 8.280 nan 0.000 0.506 792 I N -0.220 120.350 120.570 0.000 0.000 2.286 792 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 792 I C 1.885 177.880 176.117 -0.204 0.000 1.115 792 I CA 2.361 63.498 61.300 -0.271 0.000 1.392 792 I CB -0.560 37.216 38.000 -0.372 0.000 1.065 792 I HN 0.529 nan 8.210 nan 0.000 0.418 793 T N -1.542 112.911 114.554 -0.168 0.000 3.122 793 T HA 0.110 4.460 4.350 -0.001 0.000 0.250 793 T C 0.654 175.251 174.700 -0.172 0.000 1.067 793 T CA -0.353 61.644 62.100 -0.173 0.000 0.966 793 T CB -0.142 68.575 68.868 -0.253 0.000 1.002 793 T HN 0.387 nan 8.240 nan 0.000 0.542 794 Q N 1.581 121.319 119.800 -0.103 0.000 2.235 794 Q HA 0.539 4.879 4.340 -0.001 0.000 0.250 794 Q C -0.857 175.237 176.000 0.156 0.000 0.909 794 Q CA -0.638 55.147 55.803 -0.029 0.000 0.910 794 Q CB 1.534 30.198 28.738 -0.123 0.000 1.223 794 Q HN 0.235 nan 8.270 nan 0.000 0.432 795 V N 4.369 124.343 119.914 0.100 0.000 2.644 795 V HA 0.538 4.657 4.120 -0.001 0.000 0.295 795 V C 0.115 176.311 176.094 0.170 0.000 1.053 795 V CA -0.583 61.776 62.300 0.099 0.000 0.987 795 V CB 1.420 33.272 31.823 0.049 0.000 1.006 795 V HN 0.771 nan 8.190 nan 0.000 0.472 796 R N 2.526 123.096 120.500 0.116 0.000 2.604 796 R HA 0.719 5.058 4.340 -0.001 0.000 0.287 796 R C -1.130 175.214 176.300 0.074 0.000 0.970 796 R CA -0.948 55.226 56.100 0.123 0.000 0.946 796 R CB 1.772 32.098 30.300 0.043 0.000 1.127 796 R HN 0.608 nan 8.270 nan 0.000 0.473 797 K N 0.805 121.250 120.400 0.076 0.000 2.378 797 K HA 0.212 4.531 4.320 -0.001 0.000 0.252 797 K C -0.023 176.599 176.600 0.037 0.000 0.931 797 K CA -0.600 55.714 56.287 0.045 0.000 0.794 797 K CB 2.696 35.222 32.500 0.043 0.000 1.181 797 K HN 0.660 nan 8.250 nan 0.000 0.425 798 E N 1.931 122.142 120.200 0.019 0.000 3.596 798 E HA 0.131 4.480 4.350 -0.001 0.000 0.188 798 E C -0.637 175.965 176.600 0.004 0.000 1.232 798 E CA 0.021 56.430 56.400 0.016 0.000 1.460 798 E CB 0.863 30.571 29.700 0.014 0.000 1.513 798 E HN 0.277 nan 8.360 nan 0.000 0.530 799 K N 0.888 121.285 120.400 -0.005 0.000 2.535 799 K HA 0.255 4.575 4.320 -0.001 0.000 0.251 799 K C -1.891 174.695 176.600 -0.024 0.000 0.942 799 K CA -0.552 55.728 56.287 -0.012 0.000 0.798 799 K CB 1.976 34.470 32.500 -0.010 0.000 1.267 799 K HN 0.020 nan 8.250 nan 0.000 0.434 800 K N 2.971 123.355 120.400 -0.027 0.000 2.621 800 K HA 0.371 4.690 4.320 -0.001 0.000 0.233 800 K C -0.304 176.273 176.600 -0.038 0.000 0.972 800 K CA -0.333 55.930 56.287 -0.040 0.000 0.988 800 K CB 1.013 33.490 32.500 -0.038 0.000 1.187 800 K HN 0.780 nan 8.250 nan 0.000 0.471 801 G N 1.960 110.734 108.800 -0.042 0.000 2.768 801 G HA2 0.283 4.243 3.960 -0.001 0.000 0.201 801 G HA3 0.283 4.243 3.960 -0.001 0.000 0.201 801 G C -0.095 174.781 174.900 -0.040 0.000 1.089 801 G CA 0.239 45.319 45.100 -0.033 0.000 0.787 801 G HN 0.604 nan 8.290 nan 0.000 0.547 802 A N 0.286 123.069 122.820 -0.062 0.000 2.320 802 A HA 0.707 5.026 4.320 -0.001 0.000 0.334 802 A C 0.893 178.379 177.584 -0.163 0.000 1.147 802 A CA 0.067 52.056 52.037 -0.078 0.000 0.820 802 A CB 0.438 19.404 19.000 -0.057 0.000 1.218 802 A HN 1.247 nan 8.150 nan 0.000 0.482 803 G N -0.352 108.356 108.800 -0.154 0.000 2.732 803 G HA2 0.138 4.097 3.960 -0.001 0.000 0.251 803 G HA3 0.138 4.097 3.960 -0.001 0.000 0.251 803 G C 0.381 175.075 174.900 -0.343 0.000 0.628 803 G CA 0.848 45.830 45.100 -0.196 0.000 1.066 803 G HN 1.921 nan 8.290 nan 0.000 0.296 804 L N -1.438 119.699 121.223 -0.142 0.000 2.959 804 L HA 0.487 4.827 4.340 -0.001 0.000 0.259 804 L C 0.883 177.767 176.870 0.023 0.000 1.185 804 L CA -0.070 54.721 54.840 -0.082 0.000 0.998 804 L CB 0.437 42.469 42.059 -0.045 0.000 1.337 804 L HN 0.493 nan 8.230 nan 0.000 0.555 805 E N 0.098 120.344 120.200 0.077 0.000 2.368 805 E HA 0.036 4.385 4.350 -0.001 0.000 0.283 805 E C 0.532 177.239 176.600 0.178 0.000 1.476 805 E CA -0.272 56.190 56.400 0.103 0.000 1.786 805 E CB -0.098 29.650 29.700 0.080 0.000 1.518 805 E HN 0.457 nan 8.360 nan 0.000 0.456 806 F N 1.902 121.913 119.950 0.101 0.000 2.546 806 F HA 0.026 4.553 4.527 -0.001 0.000 0.298 806 F C 2.033 177.852 175.800 0.033 0.000 1.120 806 F CA 0.424 58.474 58.000 0.084 0.000 1.456 806 F CB -0.082 38.961 39.000 0.070 0.000 1.088 806 F HN 0.236 nan 8.300 nan 0.000 0.572 807 A N -0.380 122.275 122.820 -0.274 0.000 2.009 807 A HA -0.242 4.077 4.320 -0.001 0.000 0.222 807 A C 2.128 179.453 177.584 -0.432 0.000 1.175 807 A CA 2.652 54.466 52.037 -0.372 0.000 0.651 807 A CB -1.105 17.799 19.000 -0.160 0.000 0.815 807 A HN 0.475 nan 8.150 nan 0.000 0.459 808 T N -1.873 112.498 114.554 -0.306 0.000 3.182 808 T HA 0.199 4.549 4.350 -0.001 0.000 0.244 808 T C -1.699 172.903 174.700 -0.163 0.000 0.981 808 T CA 0.026 62.001 62.100 -0.209 0.000 1.182 808 T CB -0.781 68.027 68.868 -0.100 0.000 1.043 808 T HN 0.270 nan 8.240 nan 0.000 0.424 809 P HA 0.254 nan 4.420 nan 0.000 0.275 809 P C 0.329 177.717 177.300 0.147 0.000 1.228 809 P CA -0.111 63.003 63.100 0.023 0.000 0.786 809 P CB 0.663 32.384 31.700 0.035 0.000 0.927 810 E N 0.741 121.016 120.200 0.124 0.000 2.371 810 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 810 E C 1.116 177.767 176.600 0.085 0.000 1.012 810 E CA 0.539 57.045 56.400 0.178 0.000 0.860 810 E CB -0.103 29.655 29.700 0.096 0.000 0.811 810 E HN 0.398 nan 8.360 nan 0.000 0.502 811 E N 0.686 120.906 120.200 0.032 0.000 2.442 811 E HA 0.095 4.444 4.350 -0.001 0.000 0.195 811 E C 1.704 178.225 176.600 -0.131 0.000 1.030 811 E CA 0.724 57.098 56.400 -0.042 0.000 0.869 811 E CB 0.139 29.817 29.700 -0.038 0.000 0.857 811 E HN 0.382 nan 8.360 nan 0.000 0.505 812 A N 0.138 122.929 122.820 -0.048 0.000 2.021 812 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 812 A C 1.980 179.491 177.584 -0.123 0.000 1.163 812 A CA 0.861 52.806 52.037 -0.152 0.000 0.676 812 A CB -0.408 18.720 19.000 0.214 0.000 0.818 812 A HN 0.367 nan 8.150 nan 0.000 0.453 813 L N -1.387 119.806 121.223 -0.050 0.000 2.023 813 L HA 0.213 4.552 4.340 -0.001 0.000 0.205 813 L C 2.359 179.036 176.870 -0.322 0.000 1.073 813 L CA 2.248 56.769 54.840 -0.533 0.000 0.745 813 L CB -1.208 40.512 42.059 -0.565 0.000 0.900 813 L HN 0.141 nan 8.230 nan 0.000 0.435 814 A N 0.434 123.136 122.820 -0.196 0.000 1.845 814 A HA 0.029 4.348 4.320 -0.001 0.000 0.215 814 A C 2.545 180.044 177.584 -0.141 0.000 1.195 814 A CA 2.214 54.164 52.037 -0.145 0.000 0.616 814 A CB -1.440 17.503 19.000 -0.095 0.000 0.832 814 A HN 0.661 nan 8.150 nan 0.000 0.443 815 A N -0.923 121.787 122.820 -0.184 0.000 1.883 815 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 815 A C 1.948 179.491 177.584 -0.067 0.000 1.186 815 A CA 1.835 53.774 52.037 -0.163 0.000 0.624 815 A CB -0.945 17.902 19.000 -0.256 0.000 0.822 815 A HN 0.653 nan 8.150 nan 0.000 0.444 816 H N -1.011 118.029 119.070 -0.050 0.000 2.551 816 H HA 0.076 4.632 4.556 -0.001 0.000 0.266 816 H C 1.744 177.014 175.328 -0.096 0.000 0.977 816 H CA 1.116 57.130 56.048 -0.057 0.000 1.163 816 H CB -0.065 29.677 29.762 -0.034 0.000 1.381 816 H HN 0.841 nan 8.280 nan 0.000 0.581 817 E N 1.222 121.395 120.200 -0.045 0.000 2.250 817 E HA -0.039 4.310 4.350 -0.001 0.000 0.192 817 E C 1.655 178.217 176.600 -0.062 0.000 0.986 817 E CA 0.203 56.546 56.400 -0.094 0.000 0.849 817 E CB 0.350 29.960 29.700 -0.150 0.000 0.797 817 E HN 0.294 nan 8.360 nan 0.000 0.482 818 R N -0.325 120.151 120.500 -0.041 0.000 2.100 818 R HA 0.139 4.479 4.340 -0.001 0.000 0.220 818 R C 2.448 178.745 176.300 -0.005 0.000 1.091 818 R CA 0.942 57.027 56.100 -0.025 0.000 0.986 818 R CB -0.255 30.031 30.300 -0.024 0.000 0.888 818 R HN 0.159 nan 8.270 nan 0.000 0.444 819 G N 1.512 110.323 108.800 0.019 0.000 2.422 819 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 819 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 819 G C 1.337 176.243 174.900 0.009 0.000 1.140 819 G CA 0.503 45.622 45.100 0.032 0.000 0.775 819 G HN 0.286 nan 8.290 nan 0.000 0.545 820 E N 1.055 121.253 120.200 -0.003 0.000 2.028 820 E HA -0.107 4.243 4.350 -0.001 0.000 0.191 820 E C 2.644 179.229 176.600 -0.025 0.000 0.988 820 E CA 1.319 57.703 56.400 -0.025 0.000 0.799 820 E CB -0.593 29.075 29.700 -0.053 0.000 0.755 820 E HN 0.221 nan 8.360 nan 0.000 0.447 821 V N 2.174 122.071 119.914 -0.028 0.000 2.370 821 V HA -0.257 3.863 4.120 -0.001 0.000 0.252 821 V C 2.170 178.260 176.094 -0.006 0.000 1.068 821 V CA 1.614 63.904 62.300 -0.018 0.000 1.061 821 V CB -1.235 30.578 31.823 -0.016 0.000 0.656 821 V HN 0.431 nan 8.190 nan 0.000 0.455 822 A N -0.544 122.274 122.820 -0.005 0.000 2.662 822 A HA 0.308 4.628 4.320 -0.001 0.000 0.234 822 A C 1.347 178.931 177.584 -0.000 0.000 1.851 822 A CA 0.671 52.708 52.037 0.000 0.000 0.877 822 A CB -0.117 18.885 19.000 0.003 0.000 1.697 822 A HN 0.283 nan 8.150 nan 0.000 0.700 823 L N -1.143 120.080 121.223 0.001 0.000 2.701 823 L HA 0.125 4.464 4.340 -0.001 0.000 0.238 823 L C 2.079 178.947 176.870 -0.003 0.000 1.106 823 L CA 0.356 55.195 54.840 -0.000 0.000 0.898 823 L CB -0.218 41.842 42.059 0.002 0.000 1.188 823 L HN 0.858 nan 8.230 nan 0.000 0.508 824 N N 0.666 119.364 118.700 -0.003 0.000 2.080 824 N HA -0.059 4.681 4.740 -0.001 0.000 0.189 824 N C 0.782 176.280 175.510 -0.020 0.000 1.036 824 N CA 0.875 53.920 53.050 -0.008 0.000 0.846 824 N CB 0.234 38.721 38.487 0.000 0.000 1.015 824 N HN 0.216 nan 8.380 nan 0.000 0.423 825 A N 1.028 123.835 122.820 -0.021 0.000 2.288 825 A HA 0.546 4.865 4.320 -0.001 0.000 0.320 825 A C -2.496 175.069 177.584 -0.032 0.000 1.217 825 A CA -1.414 50.601 52.037 -0.036 0.000 0.840 825 A CB 1.288 20.263 19.000 -0.042 0.000 1.179 825 A HN 0.167 nan 8.150 nan 0.000 0.504 826 P HA 0.268 nan 4.420 nan 0.000 0.275 826 P C 0.765 178.042 177.300 -0.037 0.000 1.266 826 P CA -0.451 62.633 63.100 -0.026 0.000 0.793 826 P CB 0.580 32.270 31.700 -0.016 0.000 1.074 827 I N -0.212 120.337 120.570 -0.035 0.000 2.830 827 I HA -0.118 4.051 4.170 -0.001 0.000 0.263 827 I C 0.803 176.898 176.117 -0.037 0.000 1.230 827 I CA 1.215 62.485 61.300 -0.051 0.000 1.480 827 I CB -0.464 37.517 38.000 -0.033 0.000 1.095 827 I HN 0.291 nan 8.210 nan 0.000 0.455 828 K N 1.215 121.603 120.400 -0.020 0.000 2.687 828 K HA 0.538 4.857 4.320 -0.001 0.000 0.197 828 K C -1.187 175.409 176.600 -0.007 0.000 1.049 828 K CA -0.382 55.900 56.287 -0.008 0.000 1.030 828 K CB 1.160 33.663 32.500 0.006 0.000 1.261 828 K HN -0.183 nan 8.250 nan 0.000 0.565 829 V N 1.032 120.938 119.914 -0.014 0.000 2.581 829 V HA 0.453 4.572 4.120 -0.001 0.000 0.303 829 V C 0.496 176.585 176.094 -0.009 0.000 1.041 829 V CA -1.094 61.196 62.300 -0.017 0.000 0.907 829 V CB 1.703 33.505 31.823 -0.035 0.000 0.994 829 V HN 0.743 nan 8.190 nan 0.000 0.442 830 A N 3.097 125.911 122.820 -0.009 0.000 2.898 830 A HA 0.504 4.824 4.320 -0.001 0.000 0.288 830 A C 0.790 178.371 177.584 -0.004 0.000 1.771 830 A CA 0.557 52.592 52.037 -0.004 0.000 1.383 830 A CB -0.964 18.033 19.000 -0.005 0.000 1.028 830 A HN 1.203 nan 8.150 nan 0.000 0.595 831 G N 1.748 110.553 108.800 0.009 0.000 3.164 831 G HA2 0.409 4.368 3.960 -0.001 0.000 0.312 831 G HA3 0.409 4.368 3.960 -0.001 0.000 0.312 831 G C 0.671 175.595 174.900 0.041 0.000 1.530 831 G CA -0.524 44.593 45.100 0.029 0.000 1.079 831 G HN 0.591 nan 8.290 nan 0.000 0.527 832 R N 1.783 122.298 120.500 0.025 0.000 2.487 832 R HA -0.286 4.053 4.340 -0.001 0.000 0.192 832 R C 2.134 178.448 176.300 0.024 0.000 0.995 832 R CA 2.476 58.586 56.100 0.016 0.000 0.645 832 R CB -0.795 29.505 30.300 0.001 0.000 0.840 832 R HN 0.485 nan 8.270 nan 0.000 0.351 833 E N -0.746 119.465 120.200 0.019 0.000 2.026 833 E HA -0.093 4.257 4.350 -0.001 0.000 0.206 833 E C 0.377 177.018 176.600 0.069 0.000 1.028 833 E CA 2.228 58.643 56.400 0.025 0.000 0.845 833 E CB -0.360 29.330 29.700 -0.018 0.000 0.772 833 E HN 0.743 nan 8.360 nan 0.000 0.462 834 T N -2.244 112.392 114.554 0.138 0.000 3.143 834 T HA 0.537 4.886 4.350 -0.001 0.000 0.312 834 T C -0.337 174.429 174.700 0.109 0.000 0.986 834 T CA -0.857 61.317 62.100 0.122 0.000 1.024 834 T CB 1.504 70.463 68.868 0.152 0.000 1.030 834 T HN -0.060 nan 8.240 nan 0.000 0.448 835 S N 1.933 117.658 115.700 0.042 0.000 2.576 835 S HA 0.142 4.611 4.470 -0.001 0.000 0.272 835 S C 1.741 176.320 174.600 -0.035 0.000 1.352 835 S CA -0.526 57.680 58.200 0.011 0.000 1.021 835 S CB 1.328 64.523 63.200 -0.007 0.000 0.887 835 S HN 0.797 nan 8.310 nan 0.000 0.542 836 V N 2.693 122.571 119.914 -0.061 0.000 2.794 836 V HA -0.150 3.969 4.120 -0.001 0.000 0.260 836 V C 2.034 178.020 176.094 -0.180 0.000 1.103 836 V CA 2.382 64.605 62.300 -0.129 0.000 1.125 836 V CB -1.262 30.495 31.823 -0.109 0.000 0.702 836 V HN 1.052 nan 8.190 nan 0.000 0.494 837 G N -0.345 108.370 108.800 -0.141 0.000 2.448 837 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.219 837 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.219 837 G C 1.660 176.445 174.900 -0.192 0.000 1.127 837 G CA 0.770 45.767 45.100 -0.172 0.000 0.766 837 G HN 0.568 nan 8.290 nan 0.000 0.552 838 R N -1.096 119.318 120.500 -0.144 0.000 2.156 838 R HA 0.282 4.622 4.340 -0.001 0.000 0.207 838 R C 2.253 178.454 176.300 -0.165 0.000 1.040 838 R CA -0.119 55.899 56.100 -0.138 0.000 1.013 838 R CB -0.328 29.929 30.300 -0.071 0.000 0.931 838 R HN 0.246 nan 8.270 nan 0.000 0.465 839 L N 1.827 122.940 121.223 -0.182 0.000 2.017 839 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 839 L C 2.004 178.735 176.870 -0.232 0.000 1.073 839 L CA 1.847 56.554 54.840 -0.223 0.000 0.745 839 L CB -0.140 41.733 42.059 -0.309 0.000 0.894 839 L HN 0.007 nan 8.230 nan 0.000 0.432 840 K N -1.671 118.533 120.400 -0.327 0.000 2.057 840 K HA -0.084 4.236 4.320 -0.001 0.000 0.206 840 K C -0.164 176.267 176.600 -0.281 0.000 1.050 840 K CA 1.090 57.112 56.287 -0.443 0.000 0.935 840 K CB -0.073 31.909 32.500 -0.863 0.000 0.715 840 K HN 0.251 nan 8.250 nan 0.000 0.439 841 Y N 0.261 120.468 120.300 -0.154 0.000 2.409 841 Y HA 0.353 4.903 4.550 -0.001 0.000 0.343 841 Y C -0.456 175.149 175.900 -0.493 0.000 0.973 841 Y CA -1.493 56.456 58.100 -0.251 0.000 1.064 841 Y CB 2.042 40.372 38.460 -0.216 0.000 1.207 841 Y HN -0.276 nan 8.280 nan 0.000 0.452 842 V N 0.381 120.150 119.914 -0.241 0.000 2.525 842 V HA 0.578 4.697 4.120 -0.001 0.000 0.299 842 V C -1.299 174.733 176.094 -0.103 0.000 1.034 842 V CA -1.137 60.997 62.300 -0.277 0.000 0.863 842 V CB 1.031 32.806 31.823 -0.080 0.000 0.999 842 V HN 0.650 nan 8.190 nan 0.000 0.423 843 F N 3.310 123.282 119.950 0.037 0.000 2.402 843 F HA 0.797 5.324 4.527 -0.001 0.000 0.355 843 F C 1.384 177.189 175.800 0.009 0.000 1.123 843 F CA -0.502 57.504 58.000 0.010 0.000 1.021 843 F CB 2.073 41.075 39.000 0.003 0.000 1.160 843 F HN 0.775 nan 8.300 nan 0.000 0.451 844 A N 3.218 126.149 122.820 0.186 0.000 1.881 844 A HA -0.147 4.172 4.320 -0.001 0.000 0.208 844 A C 0.973 178.608 177.584 0.084 0.000 1.264 844 A CA 1.023 53.117 52.037 0.095 0.000 0.629 844 A CB -0.639 18.396 19.000 0.058 0.000 0.906 844 A HN 0.720 nan 8.150 nan 0.000 0.476 845 N N -0.244 118.488 118.700 0.054 0.000 2.371 845 N HA 0.192 4.931 4.740 -0.001 0.000 0.243 845 N C -2.008 173.539 175.510 0.062 0.000 1.287 845 N CA -1.094 51.977 53.050 0.035 0.000 0.911 845 N CB 0.534 39.026 38.487 0.010 0.000 1.142 845 N HN -0.055 nan 8.380 nan 0.000 0.451 846 P HA -0.036 nan 4.420 nan 0.000 0.214 846 P C 0.165 177.488 177.300 0.039 0.000 1.162 846 P CA 1.352 64.505 63.100 0.088 0.000 0.879 846 P CB 0.136 31.903 31.700 0.112 0.000 0.786 847 D N -0.497 119.912 120.400 0.015 0.000 2.133 847 D HA -0.200 4.440 4.640 -0.001 0.000 0.195 847 D C 1.851 178.096 176.300 -0.091 0.000 0.997 847 D CA 1.034 55.022 54.000 -0.020 0.000 0.840 847 D CB -0.483 40.310 40.800 -0.012 0.000 0.947 847 D HN 0.266 nan 8.370 nan 0.000 0.452 848 E N 0.278 120.419 120.200 -0.099 0.000 2.208 848 E HA -0.298 4.052 4.350 -0.001 0.000 0.202 848 E C 2.123 178.449 176.600 -0.457 0.000 1.014 848 E CA 1.139 57.422 56.400 -0.195 0.000 0.819 848 E CB -0.206 29.447 29.700 -0.079 0.000 0.735 848 E HN 0.371 nan 8.360 nan 0.000 0.469 849 A N 0.899 123.479 122.820 -0.400 0.000 1.873 849 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 849 A C 2.224 179.502 177.584 -0.509 0.000 1.186 849 A CA 1.171 52.800 52.037 -0.681 0.000 0.616 849 A CB -0.443 18.541 19.000 -0.027 0.000 0.823 849 A HN 0.119 nan 8.150 nan 0.000 0.442 850 L N -0.091 120.987 121.223 -0.243 0.000 2.179 850 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 850 L C 2.300 179.069 176.870 -0.168 0.000 1.096 850 L CA 0.772 55.526 54.840 -0.142 0.000 0.779 850 L CB -0.707 41.332 42.059 -0.034 0.000 0.922 850 L HN 0.342 nan 8.230 nan 0.000 0.443 851 L N -0.173 120.909 121.223 -0.236 0.000 2.042 851 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 851 L C 2.822 179.442 176.870 -0.417 0.000 1.076 851 L CA 1.238 55.906 54.840 -0.287 0.000 0.749 851 L CB -1.215 40.631 42.059 -0.356 0.000 0.893 851 L HN 0.275 nan 8.230 nan 0.000 0.432 852 A N 0.134 122.669 122.820 -0.475 0.000 2.019 852 A HA -0.083 4.236 4.320 -0.001 0.000 0.219 852 A C 2.362 179.817 177.584 -0.215 0.000 1.164 852 A CA 1.645 53.422 52.037 -0.433 0.000 0.644 852 A CB -0.702 17.914 19.000 -0.640 0.000 0.805 852 A HN 0.224 nan 8.150 nan 0.000 0.449 853 V N -0.260 119.551 119.914 -0.171 0.000 2.270 853 V HA -0.198 3.922 4.120 -0.001 0.000 0.245 853 V C 3.028 179.133 176.094 0.017 0.000 1.043 853 V CA 1.807 64.073 62.300 -0.057 0.000 1.014 853 V CB -1.341 30.453 31.823 -0.047 0.000 0.645 853 V HN 0.572 nan 8.190 nan 0.000 0.447 854 A N -0.534 122.325 122.820 0.065 0.000 1.978 854 A HA -0.248 4.071 4.320 -0.001 0.000 0.220 854 A C 1.927 179.602 177.584 0.150 0.000 1.170 854 A CA 2.021 54.133 52.037 0.125 0.000 0.636 854 A CB -0.753 18.353 19.000 0.177 0.000 0.810 854 A HN 0.703 nan 8.150 nan 0.000 0.448 855 H N -1.327 117.707 119.070 -0.061 0.000 2.547 855 H HA 0.332 4.887 4.556 -0.001 0.000 0.266 855 H C 1.555 176.856 175.328 -0.046 0.000 0.988 855 H CA 0.201 56.215 56.048 -0.055 0.000 1.147 855 H CB -0.087 29.629 29.762 -0.076 0.000 1.365 855 H HN 0.621 nan 8.280 nan 0.000 0.589 856 G N 0.335 109.175 108.800 0.066 0.000 2.132 856 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.228 856 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.228 856 G C 0.835 175.753 174.900 0.031 0.000 1.000 856 G CA 0.485 45.606 45.100 0.035 0.000 0.693 856 G HN 0.297 nan 8.290 nan 0.000 0.515 857 I N -0.283 120.288 120.570 0.002 0.000 2.628 857 I HA 0.180 4.350 4.170 -0.001 0.000 0.255 857 I C 1.397 177.548 176.117 0.057 0.000 1.119 857 I CA 1.573 62.859 61.300 -0.024 0.000 1.448 857 I CB -0.434 37.441 38.000 -0.208 0.000 1.133 857 I HN 0.477 nan 8.210 nan 0.000 0.438 858 V N -1.278 118.659 119.914 0.038 0.000 2.709 858 V HA 0.529 4.648 4.120 -0.001 0.000 0.308 858 V C -0.614 175.511 176.094 0.051 0.000 1.062 858 V CA -1.102 61.266 62.300 0.112 0.000 0.901 858 V CB 2.305 34.253 31.823 0.208 0.000 1.003 858 V HN 0.021 nan 8.190 nan 0.000 0.425 859 D N 2.777 123.202 120.400 0.041 0.000 2.360 859 D HA 0.296 4.936 4.640 -0.001 0.000 0.242 859 D C 1.092 177.372 176.300 -0.033 0.000 1.184 859 D CA -0.149 53.842 54.000 -0.015 0.000 0.930 859 D CB 2.313 43.083 40.800 -0.050 0.000 1.161 859 D HN 0.537 nan 8.370 nan 0.000 0.447 860 L N 0.576 121.745 121.223 -0.091 0.000 2.217 860 L HA -0.185 4.155 4.340 -0.001 0.000 0.211 860 L C 1.819 178.617 176.870 -0.119 0.000 1.107 860 L CA 1.212 55.986 54.840 -0.111 0.000 0.783 860 L CB -0.348 41.597 42.059 -0.189 0.000 0.919 860 L HN 0.204 nan 8.230 nan 0.000 0.442 861 Q N -0.790 118.908 119.800 -0.169 0.000 2.280 861 Q HA 0.119 4.459 4.340 -0.001 0.000 0.202 861 Q C -0.412 175.560 176.000 -0.047 0.000 0.903 861 Q CA 0.178 55.905 55.803 -0.126 0.000 0.948 861 Q CB -0.120 28.468 28.738 -0.250 0.000 1.058 861 Q HN 0.226 nan 8.270 nan 0.000 0.493 862 D N -0.072 120.318 120.400 -0.018 0.000 2.225 862 D HA 0.165 4.805 4.640 -0.001 0.000 0.249 862 D C -0.507 175.820 176.300 0.045 0.000 1.052 862 D CA -0.542 53.472 54.000 0.024 0.000 0.909 862 D CB 1.543 42.379 40.800 0.060 0.000 1.186 862 D HN -0.122 nan 8.370 nan 0.000 0.431 863 V N 1.740 121.673 119.914 0.033 0.000 2.387 863 V HA 0.337 4.456 4.120 -0.001 0.000 0.260 863 V C 0.479 176.580 176.094 0.012 0.000 1.054 863 V CA -0.477 61.837 62.300 0.023 0.000 0.967 863 V CB 0.156 31.985 31.823 0.010 0.000 1.036 863 V HN 0.200 nan 8.190 nan 0.000 0.481 864 V N 2.965 122.888 119.914 0.015 0.000 3.158 864 V HA 0.719 4.838 4.120 -0.001 0.000 0.315 864 V C 0.354 176.381 176.094 -0.112 0.000 1.148 864 V CA -0.654 61.604 62.300 -0.070 0.000 1.042 864 V CB 2.335 34.111 31.823 -0.078 0.000 1.101 864 V HN 0.853 nan 8.190 nan 0.000 0.448 865 T N -0.583 113.827 114.554 -0.240 0.000 2.829 865 T HA 0.832 5.182 4.350 -0.001 0.000 0.282 865 T C -0.711 173.889 174.700 -0.167 0.000 0.990 865 T CA -0.630 61.372 62.100 -0.164 0.000 1.028 865 T CB 1.521 70.304 68.868 -0.141 0.000 0.951 865 T HN 0.530 nan 8.240 nan 0.000 0.460 866 V N 1.973 121.874 119.914 -0.023 0.000 2.888 866 V HA 0.587 4.706 4.120 -0.001 0.000 0.309 866 V C -0.397 175.740 176.094 0.072 0.000 1.114 866 V CA -1.154 61.190 62.300 0.074 0.000 0.940 866 V CB 2.301 34.220 31.823 0.160 0.000 1.021 866 V HN 0.925 nan 8.190 nan 0.000 0.426 867 R N 2.783 123.335 120.500 0.088 0.000 2.202 867 R HA 0.342 4.681 4.340 -0.001 0.000 0.334 867 R C -1.452 174.906 176.300 0.096 0.000 1.036 867 R CA -0.098 56.041 56.100 0.064 0.000 0.878 867 R CB 0.579 30.900 30.300 0.035 0.000 1.067 867 R HN 0.805 nan 8.270 nan 0.000 0.457 868 Y N 3.651 123.917 120.300 -0.056 0.000 2.545 868 Y HA 0.110 4.659 4.550 -0.001 0.000 0.324 868 Y C 1.775 177.615 175.900 -0.100 0.000 1.220 868 Y CA -0.619 57.428 58.100 -0.089 0.000 1.290 868 Y CB 1.095 39.464 38.460 -0.152 0.000 1.355 868 Y HN 0.597 nan 8.280 nan 0.000 0.516 869 M N 1.087 119.909 119.600 -1.297 0.000 2.177 869 M HA -0.303 4.176 4.480 -0.001 0.000 0.248 869 M C 1.090 177.175 176.300 -0.360 0.000 1.091 869 M CA 2.603 57.401 55.300 -0.836 0.000 1.065 869 M CB -0.688 31.282 32.600 -1.050 0.000 1.345 869 M HN 0.893 nan 8.290 nan 0.000 0.397 870 G N -1.044 107.622 108.800 -0.224 0.000 4.250 870 G HA2 0.232 4.192 3.960 -0.001 0.000 0.242 870 G HA3 0.232 4.192 3.960 -0.001 0.000 0.242 870 G C -0.246 174.624 174.900 -0.050 0.000 1.075 870 G CA -0.428 44.609 45.100 -0.105 0.000 0.846 870 G HN 0.209 nan 8.290 nan 0.000 0.445 871 K N 0.777 121.162 120.400 -0.025 0.000 2.469 871 K HA 0.480 4.800 4.320 -0.001 0.000 0.254 871 K C -0.365 176.243 176.600 0.013 0.000 0.939 871 K CA -0.927 55.356 56.287 -0.005 0.000 0.812 871 K CB 1.698 34.187 32.500 -0.019 0.000 1.301 871 K HN 0.083 nan 8.250 nan 0.000 0.433 872 R N 3.930 124.433 120.500 0.004 0.000 2.419 872 R HA 0.248 4.588 4.340 -0.001 0.000 0.305 872 R C -0.480 175.822 176.300 0.004 0.000 1.242 872 R CA -0.359 55.746 56.100 0.007 0.000 1.105 872 R CB -0.302 29.999 30.300 0.002 0.000 1.116 872 R HN 0.263 nan 8.270 nan 0.000 0.523 873 L N 2.503 123.731 121.223 0.009 0.000 2.289 873 L HA 0.190 4.529 4.340 -0.001 0.000 0.285 873 L C 0.517 177.385 176.870 -0.005 0.000 1.049 873 L CA -0.308 54.528 54.840 -0.006 0.000 0.804 873 L CB 1.480 43.522 42.059 -0.028 0.000 1.195 873 L HN 0.458 nan 8.230 nan 0.000 0.428 874 E N 3.185 123.381 120.200 -0.007 0.000 1.964 874 E HA 0.196 4.546 4.350 -0.001 0.000 0.264 874 E C -0.955 175.645 176.600 -0.000 0.000 1.120 874 E CA -0.156 56.239 56.400 -0.008 0.000 1.061 874 E CB 0.438 30.135 29.700 -0.004 0.000 1.190 874 E HN 0.483 nan 8.360 nan 0.000 0.459 875 T N 0.654 115.212 114.554 0.007 0.000 2.881 875 T HA 0.212 4.562 4.350 -0.001 0.000 0.290 875 T C 0.154 174.877 174.700 0.038 0.000 1.000 875 T CA -0.739 61.371 62.100 0.016 0.000 0.978 875 T CB 1.742 70.614 68.868 0.007 0.000 0.997 875 T HN 0.094 nan 8.240 nan 0.000 0.443 876 S N 4.003 119.725 115.700 0.036 0.000 2.560 876 S HA 0.050 4.520 4.470 -0.001 0.000 0.276 876 S C -1.295 173.345 174.600 0.067 0.000 1.350 876 S CA -0.770 57.459 58.200 0.050 0.000 1.024 876 S CB 0.311 63.523 63.200 0.021 0.000 0.864 876 S HN 0.507 nan 8.310 nan 0.000 0.536 877 P HA -0.112 nan 4.420 nan 0.000 0.214 877 P C 1.715 179.036 177.300 0.035 0.000 1.163 877 P CA 1.432 64.577 63.100 0.075 0.000 0.889 877 P CB -0.272 31.462 31.700 0.057 0.000 0.790 878 G N 0.621 109.410 108.800 -0.017 0.000 2.491 878 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 878 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 878 G C 1.495 176.420 174.900 0.042 0.000 1.180 878 G CA 0.916 45.988 45.100 -0.047 0.000 0.774 878 G HN 0.229 nan 8.290 nan 0.000 0.562 879 R N -0.064 120.461 120.500 0.041 0.000 2.127 879 R HA -0.012 4.328 4.340 -0.001 0.000 0.238 879 R C 2.280 178.655 176.300 0.125 0.000 1.134 879 R CA 0.872 57.029 56.100 0.095 0.000 0.975 879 R CB -0.692 29.638 30.300 0.050 0.000 0.865 879 R HN 0.355 nan 8.270 nan 0.000 0.447 880 I N 1.314 121.934 120.570 0.083 0.000 2.439 880 I HA -0.149 4.020 4.170 -0.001 0.000 0.251 880 I C 2.006 178.175 176.117 0.086 0.000 1.139 880 I CA 0.738 62.076 61.300 0.064 0.000 1.438 880 I CB -0.388 37.656 38.000 0.073 0.000 1.085 880 I HN 0.096 nan 8.210 nan 0.000 0.427 881 L N 0.434 121.731 121.223 0.123 0.000 2.056 881 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 881 L C 2.302 179.308 176.870 0.227 0.000 1.078 881 L CA 1.772 56.716 54.840 0.174 0.000 0.749 881 L CB -1.294 40.876 42.059 0.185 0.000 0.901 881 L HN 0.210 nan 8.230 nan 0.000 0.433 882 F N 0.694 120.695 119.950 0.085 0.000 2.134 882 F HA -0.155 4.372 4.527 -0.001 0.000 0.299 882 F C 2.312 178.128 175.800 0.027 0.000 1.097 882 F CA 1.395 59.439 58.000 0.075 0.000 1.264 882 F CB -0.933 38.100 39.000 0.054 0.000 1.001 882 F HN 0.152 nan 8.300 nan 0.000 0.479 883 A N 1.026 123.780 122.820 -0.109 0.000 1.892 883 A HA -0.268 4.051 4.320 -0.001 0.000 0.218 883 A C 2.524 179.989 177.584 -0.200 0.000 1.188 883 A CA 2.021 53.917 52.037 -0.234 0.000 0.631 883 A CB -0.997 17.935 19.000 -0.113 0.000 0.822 883 A HN 0.479 nan 8.150 nan 0.000 0.447 884 R N -0.225 120.227 120.500 -0.081 0.000 2.070 884 R HA -0.127 4.212 4.340 -0.001 0.000 0.232 884 R C 2.097 178.332 176.300 -0.110 0.000 1.138 884 R CA 1.941 58.016 56.100 -0.040 0.000 0.936 884 R CB -0.567 29.756 30.300 0.039 0.000 0.839 884 R HN 0.573 nan 8.270 nan 0.000 0.429 885 I N 0.802 121.277 120.570 -0.158 0.000 2.143 885 I HA -0.356 3.813 4.170 -0.001 0.000 0.245 885 I C 2.407 178.348 176.117 -0.293 0.000 1.068 885 I CA 1.561 62.664 61.300 -0.328 0.000 1.326 885 I CB -0.487 37.245 38.000 -0.448 0.000 1.028 885 I HN 0.060 nan 8.210 nan 0.000 0.412 886 V N 1.050 120.753 119.914 -0.351 0.000 2.270 886 V HA -0.255 3.865 4.120 -0.001 0.000 0.245 886 V C 2.792 178.781 176.094 -0.175 0.000 1.043 886 V CA 1.942 64.058 62.300 -0.307 0.000 1.014 886 V CB -1.194 30.340 31.823 -0.481 0.000 0.645 886 V HN 0.524 nan 8.190 nan 0.000 0.447 887 A N -0.336 122.396 122.820 -0.147 0.000 2.032 887 A HA -0.305 4.014 4.320 -0.001 0.000 0.221 887 A C 2.199 179.759 177.584 -0.040 0.000 1.165 887 A CA 2.354 54.357 52.037 -0.058 0.000 0.645 887 A CB -0.460 18.532 19.000 -0.013 0.000 0.807 887 A HN 0.648 nan 8.150 nan 0.000 0.453 888 E N -0.513 119.650 120.200 -0.061 0.000 2.033 888 E HA 0.113 4.462 4.350 -0.001 0.000 0.189 888 E C 2.209 178.787 176.600 -0.037 0.000 0.979 888 E CA 1.010 57.389 56.400 -0.036 0.000 0.802 888 E CB -0.365 29.313 29.700 -0.037 0.000 0.763 888 E HN 0.451 nan 8.360 nan 0.000 0.449 889 A N 0.418 123.199 122.820 -0.065 0.000 1.896 889 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 889 A C 1.016 178.583 177.584 -0.029 0.000 1.206 889 A CA 1.661 53.672 52.037 -0.044 0.000 0.647 889 A CB -0.474 18.491 19.000 -0.059 0.000 0.828 889 A HN 0.157 nan 8.150 nan 0.000 0.455 890 V N 0.327 120.219 119.914 -0.037 0.000 2.326 890 V HA 0.232 4.352 4.120 -0.001 0.000 0.281 890 V C 0.929 177.011 176.094 -0.020 0.000 1.015 890 V CA 0.152 62.435 62.300 -0.028 0.000 0.823 890 V CB 1.220 33.023 31.823 -0.034 0.000 1.009 890 V HN 0.664 nan 8.190 nan 0.000 0.436 891 E N 3.424 123.617 120.200 -0.011 0.000 2.187 891 E HA -0.256 4.093 4.350 -0.001 0.000 0.199 891 E C 1.165 177.769 176.600 0.007 0.000 1.004 891 E CA 1.526 57.926 56.400 -0.001 0.000 0.813 891 E CB -0.013 29.687 29.700 -0.001 0.000 0.736 891 E HN 0.716 nan 8.360 nan 0.000 0.468 892 D N 0.892 121.292 120.400 0.001 0.000 2.541 892 D HA -0.065 4.575 4.640 -0.001 0.000 0.231 892 D C 0.683 177.003 176.300 0.032 0.000 1.163 892 D CA 0.159 54.166 54.000 0.013 0.000 1.077 892 D CB -0.021 40.777 40.800 -0.003 0.000 1.110 892 D HN 0.391 nan 8.370 nan 0.000 0.499 893 E N 2.572 122.807 120.200 0.058 0.000 2.086 893 E HA -0.246 4.103 4.350 -0.001 0.000 0.200 893 E C 1.269 177.983 176.600 0.191 0.000 1.012 893 E CA 1.061 57.523 56.400 0.103 0.000 0.812 893 E CB 0.379 30.148 29.700 0.116 0.000 0.743 893 E HN 0.308 nan 8.360 nan 0.000 0.453 894 K N 0.159 120.688 120.400 0.214 0.000 2.057 894 K HA -0.092 4.227 4.320 -0.001 0.000 0.207 894 K C 2.176 178.862 176.600 0.144 0.000 1.049 894 K CA 0.838 57.332 56.287 0.345 0.000 0.931 894 K CB -0.432 32.224 32.500 0.261 0.000 0.714 894 K HN 0.130 nan 8.250 nan 0.000 0.440 895 V N 1.434 121.371 119.914 0.038 0.000 3.078 895 V HA -0.163 3.956 4.120 -0.001 0.000 0.265 895 V C 2.200 178.251 176.094 -0.071 0.000 1.122 895 V CA 1.523 63.789 62.300 -0.056 0.000 1.141 895 V CB -0.575 31.220 31.823 -0.046 0.000 0.735 895 V HN 0.264 nan 8.190 nan 0.000 0.498 896 A N 0.254 123.073 122.820 -0.002 0.000 1.935 896 A HA -0.117 4.202 4.320 -0.001 0.000 0.214 896 A C 2.065 179.654 177.584 0.009 0.000 1.178 896 A CA 1.082 53.108 52.037 -0.017 0.000 0.640 896 A CB -0.450 18.544 19.000 -0.009 0.000 0.825 896 A HN 0.835 nan 8.150 nan 0.000 0.447 897 W N 0.567 121.825 121.300 -0.069 0.000 2.658 897 W HA 0.101 4.761 4.660 -0.001 0.000 0.263 897 W C 0.919 177.410 176.519 -0.047 0.000 1.274 897 W CA 0.841 58.133 57.345 -0.087 0.000 1.343 897 W CB -0.379 29.013 29.460 -0.114 0.000 1.106 897 W HN 0.426 nan 8.180 nan 0.000 0.615 898 E N 1.522 121.283 120.200 -0.732 0.000 2.110 898 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 898 E C 1.842 178.196 176.600 -0.411 0.000 0.988 898 E CA 1.977 57.880 56.400 -0.828 0.000 0.804 898 E CB -0.198 29.155 29.700 -0.578 0.000 0.745 898 E HN 0.340 nan 8.360 nan 0.000 0.458 899 L N -1.083 120.000 121.223 -0.233 0.000 2.728 899 L HA 0.323 4.663 4.340 -0.001 0.000 0.238 899 L C 0.278 177.120 176.870 -0.046 0.000 1.143 899 L CA -0.307 54.458 54.840 -0.125 0.000 0.937 899 L CB -0.253 41.743 42.059 -0.105 0.000 1.225 899 L HN -0.059 nan 8.230 nan 0.000 0.507 900 I N -1.420 119.135 120.570 -0.026 0.000 2.603 900 I HA 0.654 4.823 4.170 -0.001 0.000 0.300 900 I C -0.497 175.685 176.117 0.108 0.000 1.017 900 I CA -0.856 60.482 61.300 0.063 0.000 1.098 900 I CB 1.838 39.855 38.000 0.029 0.000 1.279 900 I HN 0.240 nan 8.210 nan 0.000 0.437 901 Q N 5.537 125.425 119.800 0.147 0.000 2.381 901 Q HA 0.470 4.809 4.340 -0.001 0.000 0.263 901 Q C -0.734 175.358 176.000 0.152 0.000 1.030 901 Q CA -0.799 55.081 55.803 0.129 0.000 0.772 901 Q CB 1.763 30.552 28.738 0.085 0.000 1.232 901 Q HN 0.838 nan 8.270 nan 0.000 0.476 902 L N -1.135 120.172 121.223 0.140 0.000 2.728 902 L HA 0.427 4.767 4.340 -0.001 0.000 0.235 902 L C -0.021 176.884 176.870 0.058 0.000 1.197 902 L CA 0.256 55.170 54.840 0.124 0.000 0.992 902 L CB -0.031 42.094 42.059 0.110 0.000 1.263 902 L HN 0.374 nan 8.230 nan 0.000 0.484 903 D N 0.281 120.709 120.400 0.048 0.000 2.340 903 D HA 0.268 4.907 4.640 -0.001 0.000 0.217 903 D C 0.162 176.460 176.300 -0.003 0.000 1.081 903 D CA 0.586 54.601 54.000 0.025 0.000 0.842 903 D CB 0.901 41.724 40.800 0.038 0.000 0.934 903 D HN 0.319 nan 8.370 nan 0.000 0.511 904 V N -3.957 115.940 119.914 -0.028 0.000 3.204 904 V HA 0.547 4.667 4.120 -0.001 0.000 0.298 904 V C -2.968 173.026 176.094 -0.168 0.000 1.328 904 V CA -2.417 59.837 62.300 -0.077 0.000 1.035 904 V CB 1.804 33.593 31.823 -0.056 0.000 1.095 904 V HN -0.358 nan 8.190 nan 0.000 0.442 905 P HA 0.249 nan 4.420 nan 0.000 0.271 905 P C -0.952 176.065 177.300 -0.472 0.000 1.216 905 P CA 0.084 62.854 63.100 -0.550 0.000 0.776 905 P CB 0.289 31.398 31.700 -0.985 0.000 0.881 906 Q N 2.449 121.956 119.800 -0.489 0.000 2.324 906 Q HA 0.074 4.413 4.340 -0.001 0.000 0.257 906 Q C 0.366 176.273 176.000 -0.156 0.000 1.080 906 Q CA 0.383 55.984 55.803 -0.337 0.000 0.907 906 Q CB 0.142 28.553 28.738 -0.545 0.000 1.274 906 Q HN 0.515 nan 8.270 nan 0.000 0.434 907 E N 2.072 122.239 120.200 -0.054 0.000 2.280 907 E HA 0.074 4.423 4.350 -0.001 0.000 0.261 907 E C 0.632 177.253 176.600 0.035 0.000 1.088 907 E CA -0.452 55.982 56.400 0.057 0.000 0.915 907 E CB 0.834 30.568 29.700 0.056 0.000 1.141 907 E HN 0.472 nan 8.360 nan 0.000 0.433 908 K N 1.822 122.249 120.400 0.044 0.000 2.280 908 K HA -0.188 4.132 4.320 -0.001 0.000 0.202 908 K C 1.404 178.027 176.600 0.038 0.000 1.047 908 K CA 1.436 57.746 56.287 0.039 0.000 0.942 908 K CB -0.019 32.502 32.500 0.035 0.000 0.739 908 K HN 0.334 nan 8.250 nan 0.000 0.457 909 N N 0.941 119.662 118.700 0.034 0.000 2.173 909 N HA -0.082 4.657 4.740 -0.001 0.000 0.184 909 N C 1.541 177.077 175.510 0.043 0.000 1.025 909 N CA 1.670 54.739 53.050 0.033 0.000 0.852 909 N CB -0.149 38.353 38.487 0.025 0.000 0.998 909 N HN 0.385 nan 8.380 nan 0.000 0.427 910 S N 0.798 116.519 115.700 0.035 0.000 2.374 910 S HA -0.136 4.333 4.470 -0.001 0.000 0.227 910 S C 2.128 176.773 174.600 0.075 0.000 1.037 910 S CA 0.921 59.148 58.200 0.044 0.000 1.024 910 S CB -0.445 62.761 63.200 0.009 0.000 0.861 910 S HN 0.167 nan 8.310 nan 0.000 0.456 911 L N 1.924 123.185 121.223 0.063 0.000 2.072 911 L HA 0.058 4.397 4.340 -0.001 0.000 0.205 911 L C 2.578 179.509 176.870 0.102 0.000 1.079 911 L CA 1.441 56.339 54.840 0.097 0.000 0.752 911 L CB -0.604 41.497 42.059 0.070 0.000 0.906 911 L HN 0.259 nan 8.230 nan 0.000 0.436 912 K N 0.161 120.609 120.400 0.080 0.000 2.034 912 K HA -0.273 4.047 4.320 -0.001 0.000 0.214 912 K C 1.573 178.248 176.600 0.124 0.000 1.051 912 K CA 2.298 58.633 56.287 0.080 0.000 0.931 912 K CB -0.317 32.213 32.500 0.051 0.000 0.715 912 K HN 0.315 nan 8.250 nan 0.000 0.446 913 D N 1.045 121.523 120.400 0.130 0.000 2.117 913 D HA -0.167 4.472 4.640 -0.001 0.000 0.197 913 D C 2.131 178.547 176.300 0.195 0.000 0.987 913 D CA 0.818 54.936 54.000 0.195 0.000 0.829 913 D CB -0.304 40.582 40.800 0.143 0.000 0.961 913 D HN 0.258 nan 8.370 nan 0.000 0.460 914 L N 0.714 122.024 121.223 0.145 0.000 2.046 914 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 914 L C 2.390 179.324 176.870 0.107 0.000 1.077 914 L CA 0.748 55.659 54.840 0.120 0.000 0.747 914 L CB -0.067 42.087 42.059 0.158 0.000 0.896 914 L HN -0.052 nan 8.230 nan 0.000 0.432 915 V N -1.127 118.866 119.914 0.132 0.000 2.237 915 V HA -0.368 3.751 4.120 -0.001 0.000 0.245 915 V C 2.173 178.369 176.094 0.171 0.000 1.046 915 V CA 2.127 64.504 62.300 0.128 0.000 1.007 915 V CB -1.228 30.660 31.823 0.107 0.000 0.638 915 V HN 0.456 nan 8.190 nan 0.000 0.445 916 Y N 1.550 121.897 120.300 0.079 0.000 2.040 916 Y HA -0.365 4.184 4.550 -0.001 0.000 0.275 916 Y C 2.709 178.708 175.900 0.165 0.000 1.171 916 Y CA 2.456 60.623 58.100 0.111 0.000 1.123 916 Y CB -0.937 37.562 38.460 0.064 0.000 0.963 916 Y HN 0.233 nan 8.280 nan 0.000 0.493 917 Q N 0.442 120.067 119.800 -0.292 0.000 2.045 917 Q HA -0.178 4.161 4.340 -0.001 0.000 0.206 917 Q C 2.535 178.424 176.000 -0.186 0.000 0.991 917 Q CA 2.445 58.024 55.803 -0.373 0.000 0.851 917 Q CB -1.096 27.544 28.738 -0.164 0.000 0.911 917 Q HN 0.621 nan 8.270 nan 0.000 0.418 918 A N -0.446 122.342 122.820 -0.053 0.000 1.948 918 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 918 A C 2.013 179.605 177.584 0.012 0.000 1.177 918 A CA 1.688 53.716 52.037 -0.015 0.000 0.636 918 A CB -1.046 17.972 19.000 0.031 0.000 0.815 918 A HN 0.520 nan 8.150 nan 0.000 0.449 919 F N -0.146 119.747 119.950 -0.095 0.000 2.046 919 F HA -0.139 4.388 4.527 -0.001 0.000 0.297 919 F C 1.980 177.717 175.800 -0.104 0.000 1.123 919 F CA 1.912 59.869 58.000 -0.071 0.000 1.199 919 F CB -0.563 38.433 39.000 -0.007 0.000 0.972 919 F HN 0.193 nan 8.300 nan 0.000 0.474 920 L N 0.033 121.143 121.223 -0.188 0.000 2.056 920 L HA -0.171 4.169 4.340 -0.001 0.000 0.207 920 L C 2.593 179.326 176.870 -0.229 0.000 1.078 920 L CA 1.236 55.922 54.840 -0.257 0.000 0.749 920 L CB -0.454 41.474 42.059 -0.219 0.000 0.901 920 L HN -0.017 nan 8.230 nan 0.000 0.433 921 R N -0.410 119.975 120.500 -0.191 0.000 2.055 921 R HA 0.024 4.364 4.340 -0.001 0.000 0.226 921 R C 2.088 178.306 176.300 -0.137 0.000 1.135 921 R CA 1.447 57.458 56.100 -0.148 0.000 0.959 921 R CB -0.844 29.377 30.300 -0.132 0.000 0.854 921 R HN 0.376 nan 8.270 nan 0.000 0.431 922 L N -0.939 120.204 121.223 -0.133 0.000 2.470 922 L HA 0.307 4.647 4.340 -0.001 0.000 0.219 922 L C 0.749 177.537 176.870 -0.135 0.000 1.071 922 L CA 0.401 55.175 54.840 -0.111 0.000 0.850 922 L CB 0.247 42.259 42.059 -0.078 0.000 1.040 922 L HN 0.383 nan 8.230 nan 0.000 0.475 923 G N -1.161 107.522 108.800 -0.194 0.000 2.375 923 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.663 923 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.663 923 G C -0.191 174.590 174.900 -0.199 0.000 1.391 923 G CA -0.143 44.819 45.100 -0.230 0.000 0.949 923 G HN -0.146 nan 8.290 nan 0.000 0.646 924 M N 0.468 119.936 119.600 -0.221 0.000 2.139 924 M HA -0.072 4.407 4.480 -0.001 0.000 0.260 924 M C 2.804 179.126 176.300 0.036 0.000 1.078 924 M CA 2.648 57.937 55.300 -0.018 0.000 1.106 924 M CB -0.497 32.093 32.600 -0.016 0.000 1.275 924 M HN 0.884 nan 8.290 nan 0.000 0.425 925 E N 0.344 120.531 120.200 -0.021 0.000 2.097 925 E HA -0.279 4.070 4.350 -0.001 0.000 0.196 925 E C 1.685 178.287 176.600 0.004 0.000 1.000 925 E CA 1.541 57.941 56.400 -0.001 0.000 0.804 925 E CB -0.749 28.939 29.700 -0.021 0.000 0.740 925 E HN 0.575 nan 8.360 nan 0.000 0.454 926 K N 0.307 120.697 120.400 -0.016 0.000 2.152 926 K HA -0.084 4.236 4.320 -0.001 0.000 0.206 926 K C 2.295 178.900 176.600 0.009 0.000 1.048 926 K CA 1.818 58.097 56.287 -0.013 0.000 0.933 926 K CB -0.246 32.234 32.500 -0.034 0.000 0.721 926 K HN 0.250 nan 8.250 nan 0.000 0.447 927 T N 1.206 115.782 114.554 0.036 0.000 2.777 927 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 927 T C 2.047 176.787 174.700 0.066 0.000 1.040 927 T CA 1.280 63.424 62.100 0.074 0.000 1.141 927 T CB -0.237 68.736 68.868 0.176 0.000 0.868 927 T HN 0.307 nan 8.240 nan 0.000 0.444 928 A N 2.503 125.361 122.820 0.064 0.000 1.948 928 A HA -0.217 4.103 4.320 -0.001 0.000 0.220 928 A C 2.391 179.999 177.584 0.040 0.000 1.177 928 A CA 1.537 53.603 52.037 0.047 0.000 0.636 928 A CB -0.530 18.496 19.000 0.044 0.000 0.815 928 A HN 0.494 nan 8.150 nan 0.000 0.449 929 R N -0.691 119.827 120.500 0.031 0.000 2.073 929 R HA -0.142 4.197 4.340 -0.001 0.000 0.234 929 R C 2.210 178.529 176.300 0.032 0.000 1.134 929 R CA 1.514 57.631 56.100 0.028 0.000 0.952 929 R CB -1.034 29.274 30.300 0.013 0.000 0.850 929 R HN 0.577 nan 8.270 nan 0.000 0.433 930 L N 1.526 122.764 121.223 0.025 0.000 2.043 930 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 930 L C 2.127 179.023 176.870 0.043 0.000 1.075 930 L CA 1.642 56.494 54.840 0.020 0.000 0.752 930 L CB -0.486 41.585 42.059 0.020 0.000 0.891 930 L HN 0.077 nan 8.230 nan 0.000 0.432 931 L N -0.026 121.229 121.223 0.054 0.000 1.990 931 L HA -0.257 4.082 4.340 -0.001 0.000 0.213 931 L C 2.380 179.296 176.870 0.077 0.000 1.072 931 L CA 1.772 56.650 54.840 0.063 0.000 0.755 931 L CB -1.094 40.997 42.059 0.054 0.000 0.889 931 L HN 0.331 nan 8.230 nan 0.000 0.432 932 D N 0.155 120.611 120.400 0.095 0.000 2.123 932 D HA -0.189 4.451 4.640 -0.001 0.000 0.196 932 D C 2.221 178.607 176.300 0.142 0.000 0.992 932 D CA 1.486 55.569 54.000 0.137 0.000 0.833 932 D CB -0.379 40.501 40.800 0.134 0.000 0.954 932 D HN 0.363 nan 8.370 nan 0.000 0.455 933 A N 0.902 123.788 122.820 0.110 0.000 1.865 933 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 933 A C 2.359 180.015 177.584 0.120 0.000 1.191 933 A CA 1.139 53.245 52.037 0.115 0.000 0.623 933 A CB -0.982 18.010 19.000 -0.013 0.000 0.826 933 A HN 0.219 nan 8.150 nan 0.000 0.444 934 L N -0.491 120.773 121.223 0.068 0.000 1.989 934 L HA -0.256 4.083 4.340 -0.001 0.000 0.211 934 L C 2.745 179.615 176.870 -0.000 0.000 1.071 934 L CA 2.169 57.054 54.840 0.075 0.000 0.749 934 L CB -0.442 41.668 42.059 0.085 0.000 0.890 934 L HN 0.561 nan 8.230 nan 0.000 0.431 935 K N -0.469 119.889 120.400 -0.070 0.000 2.059 935 K HA -0.306 4.014 4.320 -0.001 0.000 0.212 935 K C 2.202 178.578 176.600 -0.374 0.000 1.050 935 K CA 2.247 58.318 56.287 -0.359 0.000 0.927 935 K CB -0.463 31.953 32.500 -0.141 0.000 0.714 935 K HN 0.291 nan 8.250 nan 0.000 0.447 936 Y N -0.234 120.018 120.300 -0.079 0.000 2.109 936 Y HA -0.278 4.272 4.550 -0.001 0.000 0.285 936 Y C 2.108 178.017 175.900 0.014 0.000 1.131 936 Y CA 1.722 59.851 58.100 0.048 0.000 1.121 936 Y CB -0.218 38.325 38.460 0.137 0.000 0.987 936 Y HN 0.073 nan 8.280 nan 0.000 0.495 937 Y N 0.063 120.187 120.300 -0.292 0.000 2.181 937 Y HA -0.113 4.436 4.550 -0.001 0.000 0.288 937 Y C 2.648 178.242 175.900 -0.510 0.000 1.146 937 Y CA 1.196 58.911 58.100 -0.642 0.000 1.164 937 Y CB -1.238 36.917 38.460 -0.509 0.000 0.982 937 Y HN 0.229 nan 8.280 nan 0.000 0.515 938 G N -1.091 107.689 108.800 -0.032 0.000 2.432 938 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.219 938 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.219 938 G C 1.708 176.700 174.900 0.154 0.000 1.135 938 G CA 0.590 45.739 45.100 0.082 0.000 0.767 938 G HN 0.423 nan 8.290 nan 0.000 0.550 939 F N 1.429 121.349 119.950 -0.050 0.000 2.163 939 F HA -0.104 4.423 4.527 -0.001 0.000 0.297 939 F C 3.230 178.941 175.800 -0.149 0.000 1.094 939 F CA 1.189 59.144 58.000 -0.075 0.000 1.290 939 F CB -0.204 38.757 39.000 -0.066 0.000 1.017 939 F HN 0.187 nan 8.300 nan 0.000 0.483 940 T N -1.103 113.374 114.554 -0.129 0.000 2.668 940 T HA -0.207 4.143 4.350 -0.001 0.000 0.262 940 T C 1.752 176.438 174.700 -0.024 0.000 1.045 940 T CA 1.119 63.067 62.100 -0.253 0.000 1.152 940 T CB -1.293 67.185 68.868 -0.650 0.000 0.864 940 T HN 0.193 nan 8.240 nan 0.000 0.419 941 F N 2.464 122.408 119.950 -0.010 0.000 2.154 941 F HA -0.211 4.315 4.527 -0.001 0.000 0.301 941 F C 3.241 179.057 175.800 0.026 0.000 1.087 941 F CA 0.947 58.991 58.000 0.073 0.000 1.274 941 F CB -0.490 38.619 39.000 0.180 0.000 1.009 941 F HN 0.345 nan 8.300 nan 0.000 0.485 942 S N 0.212 116.048 115.700 0.226 0.000 2.359 942 S HA -0.274 4.195 4.470 -0.001 0.000 0.224 942 S C 2.141 176.734 174.600 -0.012 0.000 1.035 942 S CA 2.038 60.290 58.200 0.087 0.000 1.018 942 S CB -1.296 61.978 63.200 0.124 0.000 0.876 942 S HN 0.536 nan 8.310 nan 0.000 0.448 943 T N -0.023 114.533 114.554 0.003 0.000 2.652 943 T HA -0.154 4.196 4.350 -0.001 0.000 0.267 943 T C 1.982 176.655 174.700 -0.045 0.000 1.039 943 T CA 2.227 64.307 62.100 -0.033 0.000 1.153 943 T CB -1.837 67.009 68.868 -0.037 0.000 0.863 943 T HN 0.505 nan 8.240 nan 0.000 0.428 944 T N 1.731 116.280 114.554 -0.009 0.000 2.788 944 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 944 T C 2.273 176.913 174.700 -0.099 0.000 1.044 944 T CA 1.450 63.548 62.100 -0.003 0.000 1.139 944 T CB -0.848 68.075 68.868 0.093 0.000 0.867 944 T HN 0.550 nan 8.240 nan 0.000 0.454 945 S N 0.590 116.117 115.700 -0.288 0.000 2.420 945 S HA -0.034 4.436 4.470 -0.001 0.000 0.237 945 S C 1.795 176.118 174.600 -0.461 0.000 1.023 945 S CA 1.490 59.163 58.200 -0.879 0.000 0.991 945 S CB -1.102 61.266 63.200 -1.386 0.000 0.792 945 S HN 0.901 nan 8.310 nan 0.000 0.488 946 G N 0.551 109.208 108.800 -0.238 0.000 2.249 946 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.273 946 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.273 946 G C -0.194 174.636 174.900 -0.117 0.000 1.036 946 G CA 0.320 45.340 45.100 -0.133 0.000 0.824 946 G HN 0.724 nan 8.290 nan 0.000 0.504 947 I N 1.040 121.525 120.570 -0.143 0.000 2.396 947 I HA 0.646 4.815 4.170 -0.001 0.000 0.289 947 I C 0.627 176.707 176.117 -0.063 0.000 1.056 947 I CA -0.477 60.771 61.300 -0.086 0.000 1.365 947 I CB 0.971 38.919 38.000 -0.085 0.000 1.407 947 I HN 0.361 nan 8.210 nan 0.000 0.509 948 T N 3.691 118.218 114.554 -0.045 0.000 2.923 948 T HA 0.594 4.944 4.350 -0.001 0.000 0.311 948 T C -0.375 174.307 174.700 -0.031 0.000 1.183 948 T CA -0.812 61.264 62.100 -0.039 0.000 1.020 948 T CB 1.404 70.250 68.868 -0.037 0.000 1.165 948 T HN 0.320 nan 8.240 nan 0.000 0.482 949 I N 2.352 122.905 120.570 -0.027 0.000 2.471 949 I HA 0.457 4.626 4.170 -0.001 0.000 0.286 949 I C 1.107 177.216 176.117 -0.013 0.000 1.079 949 I CA 0.319 61.609 61.300 -0.017 0.000 1.398 949 I CB 0.554 38.547 38.000 -0.011 0.000 1.403 949 I HN 1.018 nan 8.210 nan 0.000 0.530 950 G N 6.053 114.849 108.800 -0.008 0.000 2.452 950 G HA2 0.371 4.330 3.960 -0.001 0.000 0.324 950 G HA3 0.371 4.330 3.960 -0.001 0.000 0.324 950 G C 0.956 175.859 174.900 0.005 0.000 1.214 950 G CA -0.462 44.634 45.100 -0.007 0.000 0.947 950 G HN 0.562 nan 8.290 nan 0.000 0.478 951 I N 1.050 121.624 120.570 0.006 0.000 2.236 951 I HA -0.199 3.970 4.170 -0.001 0.000 0.249 951 I C 1.835 177.967 176.117 0.025 0.000 1.102 951 I CA 2.001 63.311 61.300 0.017 0.000 1.365 951 I CB -0.493 37.515 38.000 0.013 0.000 1.051 951 I HN 0.597 nan 8.210 nan 0.000 0.420 952 D N 0.477 120.883 120.400 0.010 0.000 2.117 952 D HA -0.205 4.434 4.640 -0.001 0.000 0.197 952 D C 1.763 178.069 176.300 0.010 0.000 0.987 952 D CA 1.192 55.192 54.000 0.001 0.000 0.829 952 D CB -0.556 40.232 40.800 -0.020 0.000 0.961 952 D HN 0.290 nan 8.370 nan 0.000 0.460 953 D N 0.771 121.178 120.400 0.011 0.000 2.149 953 D HA -0.093 4.547 4.640 -0.001 0.000 0.194 953 D C 0.630 177.009 176.300 0.131 0.000 1.001 953 D CA 1.300 55.320 54.000 0.032 0.000 0.849 953 D CB -0.498 40.308 40.800 0.010 0.000 0.939 953 D HN 0.269 nan 8.370 nan 0.000 0.449 954 A N 0.693 123.589 122.820 0.127 0.000 2.496 954 A HA 0.252 4.571 4.320 -0.001 0.000 0.278 954 A C -0.054 177.638 177.584 0.179 0.000 1.137 954 A CA -0.039 52.122 52.037 0.207 0.000 0.805 954 A CB 0.178 19.267 19.000 0.148 0.000 1.077 954 A HN -0.007 nan 8.150 nan 0.000 0.513 955 V N 5.897 125.959 119.914 0.248 0.000 2.350 955 V HA 0.201 4.320 4.120 -0.001 0.000 0.276 955 V C 0.407 176.456 176.094 -0.075 0.000 1.028 955 V CA -0.277 62.042 62.300 0.031 0.000 0.860 955 V CB 1.088 32.899 31.823 -0.021 0.000 0.990 955 V HN 0.747 nan 8.190 nan 0.000 0.453 956 I N 7.545 128.096 120.570 -0.031 0.000 2.529 956 I HA 0.231 4.401 4.170 -0.001 0.000 0.284 956 I C -2.042 174.030 176.117 -0.075 0.000 1.082 956 I CA -1.380 59.892 61.300 -0.046 0.000 1.406 956 I CB 1.361 39.350 38.000 -0.018 0.000 1.405 956 I HN 0.401 nan 8.210 nan 0.000 0.548 957 P HA 0.113 nan 4.420 nan 0.000 0.278 957 P C 0.069 177.335 177.300 -0.057 0.000 1.238 957 P CA -0.266 62.770 63.100 -0.107 0.000 0.794 957 P CB 0.890 32.505 31.700 -0.142 0.000 0.955 958 E N 1.282 121.457 120.200 -0.042 0.000 2.347 958 E HA -0.151 4.198 4.350 -0.001 0.000 0.196 958 E C 1.201 177.811 176.600 0.017 0.000 1.008 958 E CA 1.002 57.397 56.400 -0.008 0.000 0.852 958 E CB -0.050 29.647 29.700 -0.005 0.000 0.783 958 E HN 0.418 nan 8.360 nan 0.000 0.505 959 E N 0.141 120.345 120.200 0.006 0.000 2.358 959 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 959 E C 1.752 178.414 176.600 0.104 0.000 1.010 959 E CA 0.616 57.065 56.400 0.082 0.000 0.856 959 E CB -0.193 29.516 29.700 0.014 0.000 0.795 959 E HN 0.289 nan 8.360 nan 0.000 0.504 960 K N 3.029 123.433 120.400 0.007 0.000 2.074 960 K HA -0.240 4.079 4.320 -0.001 0.000 0.209 960 K C 2.173 178.826 176.600 0.089 0.000 1.048 960 K CA 2.159 58.458 56.287 0.019 0.000 0.926 960 K CB -0.199 32.292 32.500 -0.016 0.000 0.713 960 K HN 0.132 nan 8.250 nan 0.000 0.444 961 K N -0.097 120.348 120.400 0.075 0.000 2.097 961 K HA -0.155 4.164 4.320 -0.001 0.000 0.205 961 K C 2.081 178.742 176.600 0.102 0.000 1.050 961 K CA 1.329 57.660 56.287 0.074 0.000 0.938 961 K CB -0.128 32.400 32.500 0.047 0.000 0.718 961 K HN 0.142 nan 8.250 nan 0.000 0.442 962 Q N 0.602 120.484 119.800 0.137 0.000 1.941 962 Q HA -0.096 4.243 4.340 -0.001 0.000 0.201 962 Q C 1.966 178.043 176.000 0.128 0.000 0.982 962 Q CA 1.968 57.842 55.803 0.119 0.000 0.839 962 Q CB -0.632 28.187 28.738 0.134 0.000 0.904 962 Q HN 0.342 nan 8.270 nan 0.000 0.427 963 Y N 0.412 120.726 120.300 0.024 0.000 2.181 963 Y HA -0.255 4.294 4.550 -0.001 0.000 0.284 963 Y C 2.029 177.975 175.900 0.078 0.000 1.179 963 Y CA 1.107 59.227 58.100 0.034 0.000 1.179 963 Y CB -0.421 38.062 38.460 0.038 0.000 0.973 963 Y HN 0.116 nan 8.280 nan 0.000 0.519 964 L N -0.407 120.978 121.223 0.270 0.000 2.005 964 L HA -0.217 4.122 4.340 -0.001 0.000 0.207 964 L C 2.605 179.600 176.870 0.208 0.000 1.072 964 L CA 1.836 56.839 54.840 0.271 0.000 0.744 964 L CB -0.400 41.770 42.059 0.186 0.000 0.895 964 L HN 0.207 nan 8.230 nan 0.000 0.433 965 E N 0.572 120.847 120.200 0.125 0.000 2.077 965 E HA -0.289 4.060 4.350 -0.001 0.000 0.193 965 E C 1.853 178.470 176.600 0.028 0.000 0.989 965 E CA 1.826 58.271 56.400 0.074 0.000 0.800 965 E CB -0.188 29.539 29.700 0.046 0.000 0.746 965 E HN 0.393 nan 8.360 nan 0.000 0.452 966 E N -0.227 119.966 120.200 -0.012 0.000 2.118 966 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 966 E C 1.935 178.473 176.600 -0.103 0.000 0.992 966 E CA 1.546 57.898 56.400 -0.081 0.000 0.804 966 E CB -0.265 29.336 29.700 -0.164 0.000 0.741 966 E HN 0.471 nan 8.360 nan 0.000 0.458 967 A N 0.562 123.322 122.820 -0.100 0.000 2.021 967 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 967 A C 1.482 178.941 177.584 -0.208 0.000 1.163 967 A CA 1.163 53.037 52.037 -0.272 0.000 0.676 967 A CB -0.112 18.619 19.000 -0.448 0.000 0.818 967 A HN 0.089 nan 8.150 nan 0.000 0.453 968 D N 0.201 120.620 120.400 0.032 0.000 2.078 968 D HA -0.197 4.442 4.640 -0.001 0.000 0.193 968 D C 2.301 178.621 176.300 0.034 0.000 0.990 968 D CA 1.844 55.918 54.000 0.122 0.000 0.827 968 D CB -0.330 40.553 40.800 0.137 0.000 0.975 968 D HN 0.644 nan 8.370 nan 0.000 0.451 969 R N 1.107 121.607 120.500 -0.000 0.000 2.091 969 R HA -0.180 4.160 4.340 -0.001 0.000 0.238 969 R C 2.030 178.302 176.300 -0.046 0.000 1.136 969 R CA 1.835 57.924 56.100 -0.019 0.000 0.959 969 R CB -0.375 29.908 30.300 -0.029 0.000 0.856 969 R HN 0.042 nan 8.270 nan 0.000 0.437 970 K N 1.248 121.595 120.400 -0.087 0.000 2.152 970 K HA -0.143 4.176 4.320 -0.001 0.000 0.206 970 K C 2.207 178.744 176.600 -0.105 0.000 1.048 970 K CA 1.475 57.694 56.287 -0.113 0.000 0.933 970 K CB -0.286 32.112 32.500 -0.170 0.000 0.721 970 K HN 0.386 nan 8.250 nan 0.000 0.447 971 L N 0.448 121.612 121.223 -0.099 0.000 2.083 971 L HA -0.074 4.266 4.340 -0.001 0.000 0.209 971 L C 1.962 178.835 176.870 0.005 0.000 1.083 971 L CA 1.695 56.509 54.840 -0.044 0.000 0.752 971 L CB -0.705 41.381 42.059 0.046 0.000 0.899 971 L HN 0.339 nan 8.230 nan 0.000 0.433 972 L N -0.547 120.678 121.223 0.005 0.000 2.046 972 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 972 L C 2.494 179.362 176.870 -0.004 0.000 1.077 972 L CA 1.738 56.585 54.840 0.011 0.000 0.747 972 L CB -0.531 41.531 42.059 0.005 0.000 0.896 972 L HN 0.419 nan 8.230 nan 0.000 0.432 973 Q N 0.593 120.377 119.800 -0.026 0.000 2.096 973 Q HA -0.185 4.154 4.340 -0.001 0.000 0.204 973 Q C 2.248 178.233 176.000 -0.026 0.000 0.982 973 Q CA 2.373 58.153 55.803 -0.039 0.000 0.850 973 Q CB -0.368 28.337 28.738 -0.054 0.000 0.901 973 Q HN 0.637 nan 8.270 nan 0.000 0.422 974 I N 0.586 121.147 120.570 -0.014 0.000 2.286 974 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 974 I C 2.373 178.535 176.117 0.074 0.000 1.115 974 I CA 0.911 62.221 61.300 0.016 0.000 1.392 974 I CB -0.332 37.667 38.000 -0.000 0.000 1.065 974 I HN 0.246 nan 8.210 nan 0.000 0.418 975 E N 0.860 121.104 120.200 0.073 0.000 2.047 975 E HA -0.217 4.132 4.350 -0.001 0.000 0.191 975 E C 2.211 178.863 176.600 0.086 0.000 0.987 975 E CA 1.250 57.722 56.400 0.120 0.000 0.799 975 E CB -0.087 29.668 29.700 0.092 0.000 0.752 975 E HN 0.578 nan 8.360 nan 0.000 0.449 976 Q N -0.263 119.549 119.800 0.019 0.000 2.170 976 Q HA -0.087 4.253 4.340 -0.001 0.000 0.203 976 Q C 2.028 177.986 176.000 -0.069 0.000 0.976 976 Q CA 1.121 56.903 55.803 -0.035 0.000 0.858 976 Q CB -0.072 28.630 28.738 -0.060 0.000 0.907 976 Q HN 0.170 nan 8.270 nan 0.000 0.433 977 A N -0.036 122.759 122.820 -0.042 0.000 2.067 977 A HA -0.178 4.141 4.320 -0.001 0.000 0.219 977 A C 1.733 179.368 177.584 0.085 0.000 1.158 977 A CA 1.015 53.014 52.037 -0.063 0.000 0.661 977 A CB -0.386 18.604 19.000 -0.017 0.000 0.801 977 A HN 0.493 nan 8.150 nan 0.000 0.452 978 Y N 0.456 120.767 120.300 0.017 0.000 2.389 978 Y HA 0.120 4.669 4.550 -0.001 0.000 0.292 978 Y C 1.815 177.748 175.900 0.056 0.000 1.117 978 Y CA 1.213 59.348 58.100 0.059 0.000 1.195 978 Y CB -0.260 38.231 38.460 0.053 0.000 1.076 978 Y HN 0.413 nan 8.280 nan 0.000 0.548 979 E N -0.080 119.951 120.200 -0.281 0.000 2.396 979 E HA -0.177 4.173 4.350 -0.001 0.000 0.200 979 E C 1.793 178.258 176.600 -0.224 0.000 1.023 979 E CA 1.138 57.341 56.400 -0.329 0.000 0.857 979 E CB -0.109 29.509 29.700 -0.137 0.000 0.775 979 E HN 0.566 nan 8.360 nan 0.000 0.525 980 M N -1.706 117.818 119.600 -0.128 0.000 2.545 980 M HA 0.125 4.604 4.480 -0.001 0.000 0.264 980 M C 1.403 177.776 176.300 0.122 0.000 1.155 980 M CA 0.967 56.268 55.300 0.002 0.000 1.162 980 M CB 0.888 33.470 32.600 -0.030 0.000 1.330 980 M HN 0.283 nan 8.290 nan 0.000 0.479 981 G N -0.493 108.382 108.800 0.125 0.000 2.175 981 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.182 981 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.182 981 G C 0.402 175.447 174.900 0.242 0.000 1.003 981 G CA -0.388 44.794 45.100 0.137 0.000 0.666 981 G HN 0.258 nan 8.290 nan 0.000 0.506 982 F N 0.830 120.804 119.950 0.040 0.000 2.128 982 F HA 0.348 4.874 4.527 -0.001 0.000 0.295 982 F C 1.809 177.660 175.800 0.084 0.000 1.100 982 F CA 0.948 58.979 58.000 0.051 0.000 1.260 982 F CB -0.192 38.831 39.000 0.038 0.000 1.009 982 F HN 0.144 nan 8.300 nan 0.000 0.476 983 L N 0.363 121.792 121.223 0.343 0.000 2.265 983 L HA 0.343 4.682 4.340 -0.001 0.000 0.288 983 L C 0.384 177.395 176.870 0.234 0.000 1.058 983 L CA -0.601 54.383 54.840 0.241 0.000 0.809 983 L CB 0.591 42.777 42.059 0.212 0.000 1.179 983 L HN -0.179 nan 8.230 nan 0.000 0.429 984 T N 0.878 115.511 114.554 0.130 0.000 2.903 984 T HA -0.074 4.275 4.350 -0.001 0.000 0.314 984 T C 1.143 175.850 174.700 0.010 0.000 1.078 984 T CA -0.220 61.936 62.100 0.094 0.000 1.114 984 T CB 0.626 69.525 68.868 0.052 0.000 0.987 984 T HN 0.633 nan 8.240 nan 0.000 0.548 985 D N 0.792 121.173 120.400 -0.031 0.000 2.191 985 D HA -0.161 4.478 4.640 -0.001 0.000 0.195 985 D C 2.201 178.427 176.300 -0.123 0.000 1.003 985 D CA 1.418 55.313 54.000 -0.175 0.000 0.867 985 D CB 0.123 40.867 40.800 -0.095 0.000 0.926 985 D HN 0.332 nan 8.370 nan 0.000 0.450 986 R N 1.181 121.659 120.500 -0.037 0.000 2.055 986 R HA -0.074 4.266 4.340 -0.001 0.000 0.228 986 R C 2.105 178.438 176.300 0.056 0.000 1.143 986 R CA 1.714 57.828 56.100 0.023 0.000 0.945 986 R CB -0.680 29.636 30.300 0.026 0.000 0.841 986 R HN 0.034 nan 8.270 nan 0.000 0.429 987 E N 0.125 120.344 120.200 0.032 0.000 2.136 987 E HA -0.309 4.041 4.350 -0.001 0.000 0.202 987 E C 1.999 178.613 176.600 0.023 0.000 1.019 987 E CA 1.738 58.158 56.400 0.032 0.000 0.819 987 E CB -0.155 29.570 29.700 0.042 0.000 0.739 987 E HN 0.196 nan 8.360 nan 0.000 0.458 988 R N -0.128 120.370 120.500 -0.003 0.000 2.082 988 R HA -0.225 4.114 4.340 -0.001 0.000 0.234 988 R C 2.274 178.588 176.300 0.024 0.000 1.136 988 R CA 2.009 58.094 56.100 -0.023 0.000 0.935 988 R CB -0.974 29.215 30.300 -0.185 0.000 0.842 988 R HN 0.350 nan 8.270 nan 0.000 0.430 989 Y N 2.137 122.387 120.300 -0.084 0.000 2.070 989 Y HA -0.241 4.309 4.550 -0.001 0.000 0.280 989 Y C 1.816 177.706 175.900 -0.018 0.000 1.148 989 Y CA 2.422 60.494 58.100 -0.046 0.000 1.125 989 Y CB -0.700 37.724 38.460 -0.061 0.000 0.975 989 Y HN 0.228 nan 8.280 nan 0.000 0.492 990 D N -0.418 119.938 120.400 -0.075 0.000 2.221 990 D HA -0.184 4.455 4.640 -0.001 0.000 0.204 990 D C 2.090 178.308 176.300 -0.137 0.000 0.982 990 D CA 1.281 55.188 54.000 -0.154 0.000 0.857 990 D CB -0.179 40.606 40.800 -0.025 0.000 0.934 990 D HN 0.463 nan 8.370 nan 0.000 0.475 991 Q N -0.309 119.438 119.800 -0.089 0.000 2.096 991 Q HA -0.005 4.335 4.340 -0.001 0.000 0.197 991 Q C 2.349 178.279 176.000 -0.116 0.000 0.964 991 Q CA 0.554 56.309 55.803 -0.081 0.000 0.838 991 Q CB 0.105 28.818 28.738 -0.042 0.000 0.906 991 Q HN 0.405 nan 8.270 nan 0.000 0.444 992 I N 0.889 121.393 120.570 -0.111 0.000 2.179 992 I HA -0.312 3.857 4.170 -0.001 0.000 0.242 992 I C 2.295 178.350 176.117 -0.104 0.000 1.088 992 I CA 0.980 62.219 61.300 -0.101 0.000 1.357 992 I CB -0.489 37.518 38.000 0.012 0.000 1.051 992 I HN 0.121 nan 8.210 nan 0.000 0.409 993 L N 0.125 121.257 121.223 -0.151 0.000 2.013 993 L HA -0.268 4.072 4.340 -0.001 0.000 0.212 993 L C 2.729 179.565 176.870 -0.056 0.000 1.073 993 L CA 1.509 56.285 54.840 -0.105 0.000 0.753 993 L CB -0.994 40.893 42.059 -0.286 0.000 0.890 993 L HN 0.269 nan 8.230 nan 0.000 0.432 994 Q N 0.751 120.488 119.800 -0.106 0.000 2.077 994 Q HA -0.240 4.100 4.340 -0.001 0.000 0.206 994 Q C 2.119 178.054 176.000 -0.108 0.000 0.989 994 Q CA 1.891 57.643 55.803 -0.086 0.000 0.853 994 Q CB -0.501 28.184 28.738 -0.088 0.000 0.907 994 Q HN 0.311 nan 8.270 nan 0.000 0.418 995 L N -0.849 120.251 121.223 -0.205 0.000 1.990 995 L HA -0.183 4.156 4.340 -0.001 0.000 0.213 995 L C 2.077 178.725 176.870 -0.369 0.000 1.072 995 L CA 2.175 56.793 54.840 -0.371 0.000 0.755 995 L CB -0.759 40.935 42.059 -0.608 0.000 0.889 995 L HN 0.424 nan 8.230 nan 0.000 0.432 996 W N -1.363 119.919 121.300 -0.029 0.000 2.409 996 W HA -0.152 4.508 4.660 -0.001 0.000 0.299 996 W C 2.543 179.050 176.519 -0.019 0.000 1.203 996 W CA 1.023 58.357 57.345 -0.019 0.000 1.298 996 W CB -0.760 28.686 29.460 -0.023 0.000 1.127 996 W HN -0.024 nan 8.180 nan 0.000 0.528 997 T N 0.770 115.434 114.554 0.184 0.000 2.737 997 T HA -0.254 4.096 4.350 -0.001 0.000 0.269 997 T C 1.175 175.916 174.700 0.068 0.000 1.040 997 T CA 2.042 64.199 62.100 0.096 0.000 1.142 997 T CB -0.251 68.640 68.868 0.038 0.000 0.861 997 T HN 0.295 nan 8.240 nan 0.000 0.456 998 E N 0.167 120.393 120.200 0.044 0.000 2.060 998 E HA -0.010 4.339 4.350 -0.001 0.000 0.189 998 E C 2.534 179.179 176.600 0.075 0.000 0.974 998 E CA 1.053 57.473 56.400 0.032 0.000 0.808 998 E CB -0.299 29.395 29.700 -0.009 0.000 0.768 998 E HN 0.263 nan 8.360 nan 0.000 0.453 999 T N 0.446 115.058 114.554 0.097 0.000 2.720 999 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 999 T C 2.088 176.912 174.700 0.206 0.000 1.037 999 T CA 1.848 64.058 62.100 0.184 0.000 1.144 999 T CB -0.466 68.523 68.868 0.203 0.000 0.864 999 T HN 0.216 nan 8.240 nan 0.000 0.444 1000 T N 0.985 115.660 114.554 0.202 0.000 2.746 1000 T HA -0.123 4.227 4.350 -0.001 0.000 0.267 1000 T C 1.939 176.664 174.700 0.042 0.000 1.039 1000 T CA 1.403 63.572 62.100 0.116 0.000 1.142 1000 T CB -0.287 68.639 68.868 0.096 0.000 0.866 1000 T HN 0.441 nan 8.240 nan 0.000 0.444 1001 E N 0.116 120.340 120.200 0.040 0.000 2.204 1001 E HA -0.136 4.213 4.350 -0.001 0.000 0.194 1001 E C 2.142 178.735 176.600 -0.012 0.000 0.989 1001 E CA 0.948 57.349 56.400 0.003 0.000 0.824 1001 E CB 0.001 29.706 29.700 0.009 0.000 0.756 1001 E HN 0.491 nan 8.360 nan 0.000 0.477 1002 K N -0.091 120.321 120.400 0.021 0.000 2.025 1002 K HA -0.083 4.236 4.320 -0.001 0.000 0.207 1002 K C 2.191 178.663 176.600 -0.212 0.000 1.049 1002 K CA 1.216 57.496 56.287 -0.013 0.000 0.933 1002 K CB 0.001 32.626 32.500 0.207 0.000 0.714 1002 K HN -0.019 nan 8.250 nan 0.000 0.438 1003 V N 1.462 121.266 119.914 -0.184 0.000 2.392 1003 V HA -0.297 3.822 4.120 -0.001 0.000 0.249 1003 V C 2.057 178.063 176.094 -0.147 0.000 1.059 1003 V CA 2.107 64.276 62.300 -0.219 0.000 1.051 1003 V CB -0.768 30.994 31.823 -0.101 0.000 0.658 1003 V HN 0.444 nan 8.190 nan 0.000 0.455 1004 T N -0.554 113.940 114.554 -0.100 0.000 2.516 1004 T HA -0.377 3.973 4.350 -0.001 0.000 0.261 1004 T C 1.917 176.560 174.700 -0.095 0.000 1.130 1004 T CA 2.274 64.314 62.100 -0.099 0.000 1.193 1004 T CB -0.372 68.431 68.868 -0.109 0.000 0.864 1004 T HN 0.416 nan 8.240 nan 0.000 0.410 1005 Q N 0.564 120.311 119.800 -0.089 0.000 2.297 1005 Q HA -0.020 4.319 4.340 -0.001 0.000 0.208 1005 Q C 2.143 178.140 176.000 -0.004 0.000 0.981 1005 Q CA 1.346 57.131 55.803 -0.031 0.000 0.876 1005 Q CB -0.509 28.217 28.738 -0.020 0.000 0.921 1005 Q HN 0.570 nan 8.270 nan 0.000 0.446 1006 A N -0.896 121.867 122.820 -0.096 0.000 1.841 1006 A HA -0.153 4.166 4.320 -0.001 0.000 0.214 1006 A C 2.175 179.710 177.584 -0.081 0.000 1.195 1006 A CA 1.558 53.509 52.037 -0.144 0.000 0.611 1006 A CB -1.010 17.797 19.000 -0.323 0.000 0.835 1006 A HN 0.246 nan 8.150 nan 0.000 0.443 1007 V N -0.978 118.907 119.914 -0.049 0.000 2.250 1007 V HA -0.340 3.780 4.120 -0.001 0.000 0.250 1007 V C 2.364 178.493 176.094 0.058 0.000 1.060 1007 V CA 2.473 64.752 62.300 -0.035 0.000 1.030 1007 V CB -1.011 30.872 31.823 0.099 0.000 0.643 1007 V HN 0.601 nan 8.190 nan 0.000 0.445 1008 F N -0.045 119.910 119.950 0.009 0.000 2.134 1008 F HA -0.235 4.292 4.527 -0.001 0.000 0.299 1008 F C 2.534 178.337 175.800 0.005 0.000 1.097 1008 F CA 1.843 59.918 58.000 0.124 0.000 1.264 1008 F CB -0.155 38.938 39.000 0.155 0.000 1.001 1008 F HN 0.046 nan 8.300 nan 0.000 0.479 1009 K N 0.804 121.285 120.400 0.136 0.000 2.152 1009 K HA -0.210 4.109 4.320 -0.001 0.000 0.206 1009 K C 1.731 178.272 176.600 -0.099 0.000 1.048 1009 K CA 1.223 57.520 56.287 0.018 0.000 0.933 1009 K CB -0.434 32.064 32.500 -0.002 0.000 0.721 1009 K HN 0.121 nan 8.250 nan 0.000 0.447 1010 N N -0.685 117.907 118.700 -0.179 0.000 2.062 1010 N HA -0.121 4.618 4.740 -0.001 0.000 0.191 1010 N C 1.599 176.877 175.510 -0.386 0.000 1.042 1010 N CA 1.365 54.223 53.050 -0.319 0.000 0.845 1010 N CB -0.155 38.090 38.487 -0.402 0.000 1.024 1010 N HN 0.080 nan 8.380 nan 0.000 0.424 1011 F N 2.277 122.009 119.950 -0.363 0.000 2.095 1011 F HA -0.112 4.415 4.527 -0.001 0.000 0.298 1011 F C 2.653 178.004 175.800 -0.749 0.000 1.104 1011 F CA 0.897 58.503 58.000 -0.656 0.000 1.232 1011 F CB -0.895 37.387 39.000 -1.198 0.000 0.987 1011 F HN 0.131 nan 8.300 nan 0.000 0.475 1012 E N 0.245 120.219 120.200 -0.377 0.000 2.097 1012 E HA -0.258 4.091 4.350 -0.001 0.000 0.196 1012 E C 2.019 178.557 176.600 -0.103 0.000 1.000 1012 E CA 1.707 58.004 56.400 -0.172 0.000 0.804 1012 E CB -0.010 29.682 29.700 -0.013 0.000 0.740 1012 E HN 0.409 nan 8.360 nan 0.000 0.454 1013 E N -0.291 119.826 120.200 -0.140 0.000 2.127 1013 E HA 0.030 4.380 4.350 -0.001 0.000 0.191 1013 E C 1.716 178.214 176.600 -0.170 0.000 0.964 1013 E CA 0.753 57.082 56.400 -0.119 0.000 0.832 1013 E CB 0.143 29.774 29.700 -0.115 0.000 0.790 1013 E HN 0.143 nan 8.360 nan 0.000 0.465 1014 N N -0.947 117.551 118.700 -0.336 0.000 2.436 1014 N HA -0.019 4.720 4.740 -0.001 0.000 0.178 1014 N C -0.365 174.901 175.510 -0.406 0.000 1.026 1014 N CA 0.573 53.314 53.050 -0.515 0.000 0.880 1014 N CB 0.389 38.273 38.487 -1.006 0.000 1.061 1014 N HN 0.120 nan 8.380 nan 0.000 0.434 1015 Y N 0.223 120.547 120.300 0.040 0.000 2.747 1015 Y HA 0.417 4.967 4.550 -0.001 0.000 0.362 1015 Y C -1.871 174.056 175.900 0.045 0.000 1.026 1015 Y CA -2.730 55.444 58.100 0.122 0.000 1.135 1015 Y CB 1.045 39.668 38.460 0.272 0.000 1.175 1015 Y HN -0.004 nan 8.280 nan 0.000 0.643 1016 P HA -0.131 nan 4.420 nan 0.000 0.219 1016 P C 0.080 177.537 177.300 0.263 0.000 1.146 1016 P CA 1.514 64.756 63.100 0.236 0.000 0.808 1016 P CB 0.096 31.947 31.700 0.252 0.000 0.779 1017 F N -0.374 119.732 119.950 0.260 0.000 2.701 1017 F HA 0.228 4.755 4.527 -0.001 0.000 0.315 1017 F C 0.763 176.648 175.800 0.141 0.000 1.277 1017 F CA -0.895 57.234 58.000 0.215 0.000 1.180 1017 F CB -0.462 38.670 39.000 0.219 0.000 1.273 1017 F HN -0.145 nan 8.300 nan 0.000 0.532 1018 N N 1.768 120.593 118.700 0.208 0.000 2.426 1018 N HA 0.179 4.919 4.740 -0.001 0.000 0.275 1018 N C -2.070 173.381 175.510 -0.098 0.000 1.019 1018 N CA -1.689 51.363 53.050 0.004 0.000 0.941 1018 N CB 2.043 40.340 38.487 -0.317 0.000 1.123 1018 N HN 0.015 nan 8.380 nan 0.000 0.486 1019 P HA -0.193 nan 4.420 nan 0.000 0.216 1019 P C 1.619 178.824 177.300 -0.157 0.000 1.167 1019 P CA 1.093 64.138 63.100 -0.091 0.000 0.914 1019 P CB 0.261 31.928 31.700 -0.054 0.000 0.793 1020 L N -2.228 118.898 121.223 -0.162 0.000 2.017 1020 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 1020 L C 2.533 179.246 176.870 -0.261 0.000 1.073 1020 L CA 1.690 56.439 54.840 -0.151 0.000 0.745 1020 L CB -1.336 40.691 42.059 -0.054 0.000 0.894 1020 L HN -0.046 nan 8.230 nan 0.000 0.432 1021 Y N -1.021 118.870 120.300 -0.682 0.000 2.070 1021 Y HA -0.272 4.277 4.550 -0.001 0.000 0.280 1021 Y C 2.317 177.859 175.900 -0.596 0.000 1.148 1021 Y CA 2.248 59.837 58.100 -0.852 0.000 1.125 1021 Y CB -0.576 36.942 38.460 -1.570 0.000 0.975 1021 Y HN -0.038 nan 8.280 nan 0.000 0.492 1022 V N 1.401 120.831 119.914 -0.806 0.000 2.380 1022 V HA -0.416 3.703 4.120 -0.001 0.000 0.251 1022 V C 2.395 178.066 176.094 -0.704 0.000 1.063 1022 V CA 2.478 64.220 62.300 -0.929 0.000 1.055 1022 V CB -0.678 30.806 31.823 -0.565 0.000 0.657 1022 V HN 0.584 nan 8.190 nan 0.000 0.455 1023 M N -0.678 118.667 119.600 -0.425 0.000 2.229 1023 M HA -0.111 4.368 4.480 -0.001 0.000 0.264 1023 M C 2.289 178.448 176.300 -0.235 0.000 1.063 1023 M CA 1.928 57.070 55.300 -0.263 0.000 1.114 1023 M CB -0.485 32.023 32.600 -0.153 0.000 1.387 1023 M HN 0.412 nan 8.290 nan 0.000 0.420 1024 A N -0.444 122.216 122.820 -0.267 0.000 1.930 1024 A HA -0.098 4.221 4.320 -0.001 0.000 0.215 1024 A C 2.147 179.624 177.584 -0.179 0.000 1.176 1024 A CA 0.960 52.921 52.037 -0.127 0.000 0.632 1024 A CB -0.305 18.715 19.000 0.033 0.000 0.819 1024 A HN 0.381 nan 8.150 nan 0.000 0.445 1025 Q N 0.697 120.215 119.800 -0.470 0.000 2.062 1025 Q HA 0.017 4.357 4.340 -0.001 0.000 0.196 1025 Q C 0.750 176.591 176.000 -0.266 0.000 0.967 1025 Q CA 0.834 56.392 55.803 -0.407 0.000 0.832 1025 Q CB -0.484 27.798 28.738 -0.761 0.000 0.899 1025 Q HN 0.574 nan 8.270 nan 0.000 0.442 1026 S N 0.255 115.702 115.700 -0.421 0.000 2.568 1026 S HA 0.156 4.625 4.470 -0.001 0.000 0.282 1026 S C 1.154 175.704 174.600 -0.084 0.000 1.338 1026 S CA 0.117 58.219 58.200 -0.163 0.000 1.045 1026 S CB 0.952 64.023 63.200 -0.215 0.000 0.873 1026 S HN 0.480 nan 8.310 nan 0.000 0.516 1027 G N 0.906 109.702 108.800 -0.007 0.000 2.740 1027 G HA2 0.122 4.081 3.960 -0.001 0.000 0.208 1027 G HA3 0.122 4.081 3.960 -0.001 0.000 0.208 1027 G C 1.015 175.915 174.900 0.001 0.000 1.148 1027 G CA 0.453 45.554 45.100 0.003 0.000 0.795 1027 G HN 0.811 nan 8.290 nan 0.000 0.526 1028 A N 0.301 123.108 122.820 -0.021 0.000 2.279 1028 A HA 0.274 4.594 4.320 -0.001 0.000 0.190 1028 A C 1.441 179.022 177.584 -0.005 0.000 1.210 1028 A CA 0.859 52.891 52.037 -0.008 0.000 0.768 1028 A CB 0.008 18.985 19.000 -0.039 0.000 0.887 1028 A HN 0.255 nan 8.150 nan 0.000 0.530 1029 R N -1.517 118.967 120.500 -0.026 0.000 2.725 1029 R HA 0.550 4.889 4.340 -0.001 0.000 0.277 1029 R C -0.576 175.717 176.300 -0.012 0.000 0.987 1029 R CA 0.453 56.547 56.100 -0.009 0.000 0.901 1029 R CB 1.373 31.671 30.300 -0.003 0.000 1.207 1029 R HN 1.709 nan 8.270 nan 0.000 0.463 1030 G N 1.981 110.790 108.800 0.015 0.000 2.528 1030 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.681 1030 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.681 1030 G C -1.637 173.303 174.900 0.066 0.000 1.340 1030 G CA -0.872 44.254 45.100 0.044 0.000 0.855 1030 G HN 0.514 nan 8.290 nan 0.000 0.649 1031 N N 1.587 120.337 118.700 0.082 0.000 2.229 1031 N HA 0.607 5.347 4.740 -0.001 0.000 0.298 1031 N C -1.764 173.785 175.510 0.065 0.000 1.114 1031 N CA -1.835 51.254 53.050 0.064 0.000 0.776 1031 N CB 2.868 41.375 38.487 0.033 0.000 1.501 1031 N HN 0.064 nan 8.380 nan 0.000 0.474 1032 P HA -0.106 nan 4.420 nan 0.000 0.216 1032 P C 0.898 178.136 177.300 -0.103 0.000 1.153 1032 P CA 1.493 64.468 63.100 -0.208 0.000 0.858 1032 P CB 0.468 31.953 31.700 -0.357 0.000 0.789 1033 Q N -0.889 118.880 119.800 -0.051 0.000 2.167 1033 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 1033 Q C 2.201 178.217 176.000 0.027 0.000 0.970 1033 Q CA 1.535 57.327 55.803 -0.019 0.000 0.855 1033 Q CB -0.477 28.257 28.738 -0.007 0.000 0.911 1033 Q HN 0.367 nan 8.270 nan 0.000 0.438 1034 Q N -0.596 119.238 119.800 0.057 0.000 2.020 1034 Q HA -0.099 4.241 4.340 -0.001 0.000 0.198 1034 Q C 1.873 177.953 176.000 0.135 0.000 0.974 1034 Q CA 1.025 56.889 55.803 0.103 0.000 0.829 1034 Q CB -0.093 28.704 28.738 0.098 0.000 0.894 1034 Q HN 0.354 nan 8.270 nan 0.000 0.433 1035 I N 1.199 121.867 120.570 0.163 0.000 2.185 1035 I HA -0.340 3.830 4.170 -0.001 0.000 0.246 1035 I C 2.387 178.609 176.117 0.175 0.000 1.088 1035 I CA 1.597 63.036 61.300 0.232 0.000 1.347 1035 I CB -1.137 37.110 38.000 0.412 0.000 1.041 1035 I HN 0.310 nan 8.210 nan 0.000 0.415 1036 R N 0.861 121.423 120.500 0.103 0.000 2.117 1036 R HA -0.204 4.136 4.340 -0.001 0.000 0.243 1036 R C 2.074 178.365 176.300 -0.015 0.000 1.143 1036 R CA 1.484 57.603 56.100 0.031 0.000 0.968 1036 R CB -0.030 30.262 30.300 -0.013 0.000 0.863 1036 R HN 0.548 nan 8.270 nan 0.000 0.444 1037 Q N -0.382 119.413 119.800 -0.008 0.000 2.432 1037 Q HA -0.052 4.288 4.340 -0.001 0.000 0.205 1037 Q C 1.592 177.519 176.000 -0.123 0.000 0.945 1037 Q CA 0.573 56.286 55.803 -0.150 0.000 0.924 1037 Q CB 0.343 29.034 28.738 -0.079 0.000 1.016 1037 Q HN 0.300 nan 8.270 nan 0.000 0.503 1038 L N -1.751 119.526 121.223 0.089 0.000 2.269 1038 L HA 0.005 4.344 4.340 -0.001 0.000 0.200 1038 L C 2.012 178.930 176.870 0.079 0.000 1.069 1038 L CA 0.807 55.742 54.840 0.159 0.000 0.804 1038 L CB -0.197 41.990 42.059 0.214 0.000 0.987 1038 L HN 0.137 nan 8.230 nan 0.000 0.468 1039 C N -0.788 118.558 119.300 0.077 0.000 2.520 1039 C HA 0.384 4.844 4.460 -0.001 0.000 0.291 1039 C C 2.171 177.155 174.990 -0.010 0.000 1.364 1039 C CA 0.042 59.086 59.018 0.043 0.000 1.781 1039 C CB -0.942 26.838 27.740 0.068 0.000 2.171 1039 C HN 0.558 nan 8.230 nan 0.000 0.516 1040 G N 0.608 109.399 108.800 -0.015 0.000 3.048 1040 G HA2 0.456 4.415 3.960 -0.001 0.000 0.151 1040 G HA3 0.456 4.415 3.960 -0.001 0.000 0.151 1040 G C -0.299 174.552 174.900 -0.081 0.000 1.803 1040 G CA 0.536 45.607 45.100 -0.048 0.000 1.047 1040 G HN 0.658 nan 8.290 nan 0.000 0.513 1041 L N -2.034 119.127 121.223 -0.103 0.000 2.513 1041 L HA 0.699 5.039 4.340 -0.001 0.000 0.261 1041 L C -1.056 175.704 176.870 -0.183 0.000 0.945 1041 L CA -1.356 53.384 54.840 -0.167 0.000 0.848 1041 L CB 2.305 44.275 42.059 -0.149 0.000 1.334 1041 L HN 0.550 nan 8.230 nan 0.000 0.407 1042 R N 2.010 122.349 120.500 -0.269 0.000 2.272 1042 R HA 0.474 4.813 4.340 -0.001 0.000 0.334 1042 R C 0.736 176.915 176.300 -0.201 0.000 1.117 1042 R CA 0.204 56.172 56.100 -0.220 0.000 0.966 1042 R CB 0.685 30.817 30.300 -0.280 0.000 1.049 1042 R HN 0.828 nan 8.270 nan 0.000 0.477 1043 G N 3.328 112.027 108.800 -0.167 0.000 2.441 1043 G HA2 0.072 4.031 3.960 -0.001 0.000 0.212 1043 G HA3 0.072 4.031 3.960 -0.001 0.000 0.212 1043 G C 0.209 174.981 174.900 -0.214 0.000 1.164 1043 G CA -0.102 44.855 45.100 -0.237 0.000 0.811 1043 G HN 0.424 nan 8.290 nan 0.000 0.535 1044 L N 1.359 122.521 121.223 -0.102 0.000 2.381 1044 L HA 0.567 4.906 4.340 -0.001 0.000 0.274 1044 L C -1.034 175.843 176.870 0.011 0.000 0.988 1044 L CA -0.649 54.161 54.840 -0.049 0.000 0.824 1044 L CB 2.287 44.348 42.059 0.003 0.000 1.263 1044 L HN 0.032 nan 8.230 nan 0.000 0.410 1045 M N 3.255 122.888 119.600 0.055 0.000 2.067 1045 M HA 0.353 4.832 4.480 -0.001 0.000 0.286 1045 M C -0.468 175.950 176.300 0.197 0.000 0.922 1045 M CA -0.580 54.783 55.300 0.105 0.000 0.937 1045 M CB 1.597 34.255 32.600 0.096 0.000 1.550 1045 M HN 0.591 nan 8.290 nan 0.000 0.433 1046 Q N 1.817 121.707 119.800 0.150 0.000 2.450 1046 Q HA 0.066 4.406 4.340 -0.001 0.000 0.294 1046 Q C 0.205 176.292 176.000 0.146 0.000 1.129 1046 Q CA 0.729 56.607 55.803 0.125 0.000 0.970 1046 Q CB 1.154 29.925 28.738 0.055 0.000 1.294 1046 Q HN 0.452 nan 8.270 nan 0.000 0.453 1047 K N 1.650 122.024 120.400 -0.043 0.000 2.273 1047 K HA 0.050 4.370 4.320 -0.001 0.000 0.240 1047 K C -1.637 174.916 176.600 -0.077 0.000 1.056 1047 K CA -1.304 54.857 56.287 -0.210 0.000 0.910 1047 K CB -0.288 31.871 32.500 -0.568 0.000 1.196 1047 K HN 0.335 nan 8.250 nan 0.000 0.509 1048 P HA -0.232 nan 4.420 nan 0.000 0.214 1048 P C 1.429 178.748 177.300 0.031 0.000 1.163 1048 P CA 1.733 64.896 63.100 0.106 0.000 0.883 1048 P CB 0.036 31.833 31.700 0.161 0.000 0.788 1049 S N -1.812 113.873 115.700 -0.024 0.000 2.363 1049 S HA -0.034 4.436 4.470 -0.001 0.000 0.218 1049 S C 1.905 176.484 174.600 -0.035 0.000 1.035 1049 S CA 1.739 59.921 58.200 -0.031 0.000 1.043 1049 S CB -1.325 61.839 63.200 -0.060 0.000 0.986 1049 S HN 0.299 nan 8.310 nan 0.000 0.423 1050 G N 0.405 109.173 108.800 -0.053 0.000 4.142 1050 G HA2 0.066 4.025 3.960 -0.001 0.000 0.200 1050 G HA3 0.066 4.025 3.960 -0.001 0.000 0.200 1050 G C -0.685 174.201 174.900 -0.023 0.000 0.811 1050 G CA -0.328 44.749 45.100 -0.039 0.000 0.855 1050 G HN 0.519 nan 8.290 nan 0.000 0.455 1051 E N 2.360 122.529 120.200 -0.052 0.000 2.406 1051 E HA 0.349 4.699 4.350 -0.001 0.000 0.258 1051 E C 0.351 176.966 176.600 0.024 0.000 1.043 1051 E CA 0.248 56.642 56.400 -0.010 0.000 0.929 1051 E CB 0.867 30.454 29.700 -0.188 0.000 0.969 1051 E HN 0.103 nan 8.360 nan 0.000 0.462 1052 T N 3.099 117.763 114.554 0.184 0.000 2.932 1052 T HA 0.032 4.382 4.350 -0.001 0.000 0.312 1052 T C -0.091 174.724 174.700 0.192 0.000 1.071 1052 T CA -0.410 61.779 62.100 0.148 0.000 1.128 1052 T CB 0.133 69.066 68.868 0.109 0.000 0.984 1052 T HN 0.280 nan 8.240 nan 0.000 0.549 1053 F N 2.722 122.733 119.950 0.102 0.000 2.545 1053 F HA 0.177 4.703 4.527 -0.001 0.000 0.348 1053 F C 1.700 177.583 175.800 0.138 0.000 1.163 1053 F CA -0.003 58.051 58.000 0.091 0.000 1.331 1053 F CB 0.662 39.671 39.000 0.016 0.000 1.138 1053 F HN 0.747 nan 8.300 nan 0.000 0.602 1054 E N 0.605 121.044 120.200 0.400 0.000 2.285 1054 E HA 0.006 4.356 4.350 -0.001 0.000 0.194 1054 E C -0.228 176.515 176.600 0.239 0.000 0.997 1054 E CA 0.420 57.007 56.400 0.312 0.000 0.845 1054 E CB 0.124 29.989 29.700 0.275 0.000 0.782 1054 E HN 0.182 nan 8.360 nan 0.000 0.491 1055 V N 2.801 122.836 119.914 0.202 0.000 2.407 1055 V HA 0.251 4.370 4.120 -0.001 0.000 0.278 1055 V C -2.100 173.924 176.094 -0.116 0.000 1.037 1055 V CA -1.703 60.617 62.300 0.033 0.000 0.900 1055 V CB 1.180 32.999 31.823 -0.007 0.000 0.983 1055 V HN 0.032 nan 8.190 nan 0.000 0.459 1056 P HA 0.333 nan 4.420 nan 0.000 0.282 1056 P C -0.773 176.319 177.300 -0.347 0.000 1.287 1056 P CA -0.481 62.327 63.100 -0.487 0.000 0.792 1056 P CB 0.716 31.753 31.700 -1.106 0.000 1.163 1057 V N 2.121 121.845 119.914 -0.318 0.000 2.217 1057 V HA 0.189 4.308 4.120 -0.001 0.000 0.264 1057 V C 1.561 177.500 176.094 -0.258 0.000 1.107 1057 V CA -0.052 62.103 62.300 -0.241 0.000 0.913 1057 V CB -0.210 31.498 31.823 -0.192 0.000 1.153 1057 V HN 0.480 nan 8.190 nan 0.000 0.469 1058 R N 0.994 121.349 120.500 -0.243 0.000 2.185 1058 R HA -0.112 4.228 4.340 -0.001 0.000 0.247 1058 R C 1.377 177.584 176.300 -0.155 0.000 1.159 1058 R CA 1.096 57.078 56.100 -0.197 0.000 0.988 1058 R CB 0.055 30.272 30.300 -0.137 0.000 0.871 1058 R HN 0.577 nan 8.270 nan 0.000 0.458 1059 S N -0.285 115.317 115.700 -0.163 0.000 2.672 1059 S HA 0.287 4.756 4.470 -0.001 0.000 0.276 1059 S C 0.067 174.528 174.600 -0.231 0.000 1.207 1059 S CA -0.834 57.273 58.200 -0.155 0.000 1.002 1059 S CB 1.173 64.296 63.200 -0.127 0.000 0.998 1059 S HN 0.269 nan 8.310 nan 0.000 0.542 1060 S N 1.642 117.222 115.700 -0.200 0.000 2.767 1060 S HA 0.578 5.048 4.470 -0.001 0.000 0.300 1060 S C 0.143 174.606 174.600 -0.229 0.000 1.123 1060 S CA -0.579 57.470 58.200 -0.251 0.000 0.992 1060 S CB 0.252 63.384 63.200 -0.113 0.000 1.138 1060 S HN 0.594 nan 8.310 nan 0.000 0.550 1061 F N 0.303 120.224 119.950 -0.048 0.000 2.664 1061 F HA 0.358 4.885 4.527 -0.001 0.000 0.296 1061 F C 2.561 178.336 175.800 -0.042 0.000 1.125 1061 F CA -0.244 57.719 58.000 -0.061 0.000 1.444 1061 F CB -0.455 38.513 39.000 -0.054 0.000 1.114 1061 F HN 0.506 nan 8.300 nan 0.000 0.576 1062 R N 1.080 121.663 120.500 0.138 0.000 2.070 1062 R HA -0.111 4.229 4.340 -0.001 0.000 0.233 1062 R C 0.747 177.078 176.300 0.052 0.000 1.137 1062 R CA 1.125 57.274 56.100 0.082 0.000 0.945 1062 R CB -0.317 30.015 30.300 0.054 0.000 0.845 1062 R HN 0.308 nan 8.270 nan 0.000 0.430 1063 E N -1.356 118.861 120.200 0.029 0.000 2.250 1063 E HA 0.279 4.629 4.350 -0.001 0.000 0.265 1063 E C -0.701 175.908 176.600 0.016 0.000 1.033 1063 E CA -0.424 55.985 56.400 0.014 0.000 0.888 1063 E CB 1.018 30.716 29.700 -0.004 0.000 1.151 1063 E HN 0.328 nan 8.360 nan 0.000 0.412 1064 G N 2.389 111.195 108.800 0.010 0.000 2.209 1064 G HA2 0.027 3.986 3.960 -0.001 0.000 0.271 1064 G HA3 0.027 3.986 3.960 -0.001 0.000 0.271 1064 G C -0.226 174.669 174.900 -0.008 0.000 1.111 1064 G CA -0.039 45.067 45.100 0.010 0.000 1.092 1064 G HN 0.306 nan 8.290 nan 0.000 0.416 1065 L N 4.220 125.438 121.223 -0.008 0.000 2.565 1065 L HA 0.223 4.562 4.340 -0.001 0.000 0.275 1065 L C 1.289 178.146 176.870 -0.020 0.000 1.137 1065 L CA 0.093 54.902 54.840 -0.052 0.000 0.915 1065 L CB -0.072 41.940 42.059 -0.079 0.000 1.232 1065 L HN 0.489 nan 8.230 nan 0.000 0.473 1066 T N 2.982 117.533 114.554 -0.005 0.000 2.649 1066 T HA 0.013 4.363 4.350 -0.001 0.000 0.337 1066 T C 1.612 176.367 174.700 0.091 0.000 1.070 1066 T CA 0.228 62.346 62.100 0.029 0.000 1.052 1066 T CB 0.580 69.452 68.868 0.007 0.000 0.994 1066 T HN 0.454 nan 8.240 nan 0.000 0.544 1067 V N 2.999 122.970 119.914 0.095 0.000 2.233 1067 V HA -0.129 3.990 4.120 -0.001 0.000 0.247 1067 V C 2.566 178.755 176.094 0.159 0.000 1.050 1067 V CA 2.289 64.670 62.300 0.135 0.000 1.010 1067 V CB -1.009 30.861 31.823 0.079 0.000 0.637 1067 V HN 0.788 nan 8.190 nan 0.000 0.444 1068 L N -0.361 120.912 121.223 0.084 0.000 2.131 1068 L HA -0.059 4.280 4.340 -0.001 0.000 0.206 1068 L C 2.529 179.456 176.870 0.095 0.000 1.087 1068 L CA 1.492 56.372 54.840 0.067 0.000 0.767 1068 L CB -0.392 41.649 42.059 -0.030 0.000 0.917 1068 L HN 0.310 nan 8.230 nan 0.000 0.441 1069 E N -1.220 119.012 120.200 0.052 0.000 2.267 1069 E HA -0.281 4.068 4.350 -0.001 0.000 0.197 1069 E C 1.738 178.429 176.600 0.151 0.000 0.998 1069 E CA 1.321 57.737 56.400 0.027 0.000 0.830 1069 E CB -0.181 29.496 29.700 -0.038 0.000 0.751 1069 E HN 0.653 nan 8.360 nan 0.000 0.491 1070 Y N -0.375 119.968 120.300 0.071 0.000 2.153 1070 Y HA -0.256 4.293 4.550 -0.001 0.000 0.289 1070 Y C 2.178 178.149 175.900 0.119 0.000 1.127 1070 Y CA 0.563 58.721 58.100 0.096 0.000 1.131 1070 Y CB -0.035 38.482 38.460 0.095 0.000 0.995 1070 Y HN 0.015 nan 8.280 nan 0.000 0.505 1071 F N 0.907 120.950 119.950 0.153 0.000 2.091 1071 F HA -0.341 4.185 4.527 -0.001 0.000 0.299 1071 F C 2.041 177.944 175.800 0.172 0.000 1.103 1071 F CA 1.417 59.450 58.000 0.055 0.000 1.228 1071 F CB -0.533 38.489 39.000 0.036 0.000 0.984 1071 F HN 0.032 nan 8.300 nan 0.000 0.477 1072 I N -0.417 120.409 120.570 0.427 0.000 2.361 1072 I HA -0.240 3.929 4.170 -0.001 0.000 0.251 1072 I C 2.668 178.979 176.117 0.324 0.000 1.133 1072 I CA 1.710 63.189 61.300 0.299 0.000 1.413 1072 I CB -1.763 36.139 38.000 -0.164 0.000 1.073 1072 I HN 0.286 nan 8.210 nan 0.000 0.424 1073 S N 0.387 116.234 115.700 0.246 0.000 2.461 1073 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 1073 S C 2.297 177.010 174.600 0.188 0.000 1.005 1073 S CA 1.309 59.638 58.200 0.215 0.000 0.942 1073 S CB -0.220 63.118 63.200 0.231 0.000 0.776 1073 S HN 0.575 nan 8.310 nan 0.000 0.514 1074 S N 1.335 117.093 115.700 0.097 0.000 2.382 1074 S HA -0.202 4.267 4.470 -0.001 0.000 0.228 1074 S C 1.811 176.342 174.600 -0.116 0.000 1.027 1074 S CA 1.155 59.285 58.200 -0.116 0.000 0.991 1074 S CB -1.204 61.728 63.200 -0.447 0.000 0.823 1074 S HN 0.787 nan 8.310 nan 0.000 0.469 1075 H N 1.258 120.311 119.070 -0.028 0.000 2.289 1075 H HA -0.076 4.479 4.556 -0.001 0.000 0.296 1075 H C 2.600 177.942 175.328 0.024 0.000 1.091 1075 H CA 1.587 57.644 56.048 0.014 0.000 1.274 1075 H CB -1.072 28.750 29.762 0.100 0.000 1.364 1075 H HN 0.618 nan 8.280 nan 0.000 0.490 1076 G N 0.470 109.381 108.800 0.185 0.000 2.422 1076 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.218 1076 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.218 1076 G C 2.000 176.947 174.900 0.078 0.000 1.146 1076 G CA 1.019 46.186 45.100 0.112 0.000 0.769 1076 G HN 0.504 nan 8.290 nan 0.000 0.547 1077 A N 0.690 123.552 122.820 0.071 0.000 1.898 1077 A HA 0.048 4.368 4.320 -0.001 0.000 0.216 1077 A C 2.328 179.926 177.584 0.023 0.000 1.181 1077 A CA 2.021 54.090 52.037 0.054 0.000 0.620 1077 A CB -0.353 18.675 19.000 0.047 0.000 0.819 1077 A HN 0.317 nan 8.150 nan 0.000 0.442 1078 R N 0.219 120.712 120.500 -0.012 0.000 2.066 1078 R HA -0.041 4.299 4.340 -0.001 0.000 0.232 1078 R C 2.100 178.404 176.300 0.006 0.000 1.131 1078 R CA 2.042 58.126 56.100 -0.027 0.000 0.955 1078 R CB -0.450 29.805 30.300 -0.075 0.000 0.851 1078 R HN 0.481 nan 8.270 nan 0.000 0.432 1079 K N -0.838 119.573 120.400 0.019 0.000 2.026 1079 K HA -0.080 4.239 4.320 -0.001 0.000 0.208 1079 K C 1.932 178.551 176.600 0.031 0.000 1.048 1079 K CA 1.599 57.897 56.287 0.018 0.000 0.929 1079 K CB -0.533 31.967 32.500 -0.000 0.000 0.713 1079 K HN 0.413 nan 8.250 nan 0.000 0.439 1080 G N 0.360 109.193 108.800 0.056 0.000 2.459 1080 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 1080 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 1080 G C 1.565 176.551 174.900 0.143 0.000 1.183 1080 G CA 1.177 46.376 45.100 0.163 0.000 0.776 1080 G HN 0.471 nan 8.290 nan 0.000 0.552 1081 G N 1.034 109.880 108.800 0.076 0.000 2.469 1081 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.219 1081 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.219 1081 G C 2.008 176.935 174.900 0.045 0.000 1.150 1081 G CA 1.717 46.845 45.100 0.047 0.000 0.763 1081 G HN 0.727 nan 8.290 nan 0.000 0.561 1082 A N 0.278 123.125 122.820 0.045 0.000 1.898 1082 A HA 0.069 4.388 4.320 -0.001 0.000 0.214 1082 A C 2.119 179.742 177.584 0.064 0.000 1.183 1082 A CA 1.830 53.889 52.037 0.037 0.000 0.622 1082 A CB -0.225 18.792 19.000 0.028 0.000 0.824 1082 A HN 0.245 nan 8.150 nan 0.000 0.444 1083 D N -0.129 120.346 120.400 0.125 0.000 2.103 1083 D HA -0.114 4.525 4.640 -0.001 0.000 0.199 1083 D C 2.425 178.849 176.300 0.207 0.000 0.978 1083 D CA 2.232 56.364 54.000 0.219 0.000 0.829 1083 D CB -0.563 40.462 40.800 0.376 0.000 0.981 1083 D HN 0.560 nan 8.370 nan 0.000 0.464 1084 T N -0.434 114.252 114.554 0.220 0.000 2.699 1084 T HA -0.154 4.195 4.350 -0.001 0.000 0.268 1084 T C 2.046 176.765 174.700 0.031 0.000 1.036 1084 T CA 1.788 63.953 62.100 0.109 0.000 1.147 1084 T CB -0.432 68.483 68.868 0.078 0.000 0.862 1084 T HN 0.079 nan 8.240 nan 0.000 0.446 1085 A N 0.521 123.355 122.820 0.023 0.000 2.066 1085 A HA 0.377 4.696 4.320 -0.001 0.000 0.218 1085 A C 2.285 179.849 177.584 -0.033 0.000 1.157 1085 A CA 0.634 52.665 52.037 -0.011 0.000 0.670 1085 A CB -0.694 18.299 19.000 -0.011 0.000 0.804 1085 A HN 0.515 nan 8.150 nan 0.000 0.453 1086 L N -1.460 119.740 121.223 -0.040 0.000 2.270 1086 L HA -0.002 4.338 4.340 -0.001 0.000 0.210 1086 L C 2.541 179.340 176.870 -0.118 0.000 1.104 1086 L CA 0.659 55.447 54.840 -0.087 0.000 0.804 1086 L CB -0.053 41.934 42.059 -0.119 0.000 0.937 1086 L HN 0.156 nan 8.230 nan 0.000 0.450 1087 R N -1.102 119.335 120.500 -0.105 0.000 2.092 1087 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 1087 R C 2.289 178.541 176.300 -0.081 0.000 1.119 1087 R CA 1.401 57.435 56.100 -0.109 0.000 0.970 1087 R CB -1.196 29.062 30.300 -0.069 0.000 0.864 1087 R HN 0.147 nan 8.270 nan 0.000 0.440 1088 T N -0.012 114.503 114.554 -0.064 0.000 2.684 1088 T HA -0.141 4.208 4.350 -0.001 0.000 0.267 1088 T C 1.694 176.360 174.700 -0.056 0.000 1.036 1088 T CA 1.699 63.765 62.100 -0.058 0.000 1.148 1088 T CB -0.230 68.608 68.868 -0.049 0.000 0.863 1088 T HN 0.372 nan 8.240 nan 0.000 0.436 1089 A N 0.437 123.220 122.820 -0.062 0.000 1.970 1089 A HA 0.002 4.322 4.320 -0.001 0.000 0.216 1089 A C 2.088 179.646 177.584 -0.044 0.000 1.170 1089 A CA 1.573 53.569 52.037 -0.068 0.000 0.645 1089 A CB -0.475 18.471 19.000 -0.090 0.000 0.816 1089 A HN 0.408 nan 8.150 nan 0.000 0.447 1090 D N -0.903 119.472 120.400 -0.041 0.000 2.224 1090 D HA -0.062 4.577 4.640 -0.001 0.000 0.205 1090 D C 2.208 178.512 176.300 0.007 0.000 0.965 1090 D CA 1.329 55.328 54.000 -0.002 0.000 0.852 1090 D CB 0.085 40.844 40.800 -0.067 0.000 0.947 1090 D HN 0.398 nan 8.370 nan 0.000 0.494 1091 S N -0.984 114.699 115.700 -0.029 0.000 2.371 1091 S HA 0.004 4.474 4.470 -0.001 0.000 0.221 1091 S C 2.120 176.711 174.600 -0.015 0.000 1.036 1091 S CA 1.403 59.578 58.200 -0.042 0.000 0.965 1091 S CB -0.352 62.812 63.200 -0.060 0.000 0.845 1091 S HN 0.251 nan 8.310 nan 0.000 0.475 1092 G N -0.326 108.472 108.800 -0.003 0.000 2.422 1092 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 1092 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 1092 G C 1.357 176.303 174.900 0.076 0.000 1.146 1092 G CA 0.860 45.967 45.100 0.012 0.000 0.769 1092 G HN 0.649 nan 8.290 nan 0.000 0.547 1093 Y N -0.007 120.233 120.300 -0.101 0.000 2.145 1093 Y HA -0.169 4.381 4.550 -0.001 0.000 0.286 1093 Y C 2.630 178.470 175.900 -0.100 0.000 1.145 1093 Y CA 0.846 58.870 58.100 -0.126 0.000 1.148 1093 Y CB -0.017 38.363 38.460 -0.133 0.000 0.981 1093 Y HN 0.185 nan 8.280 nan 0.000 0.507 1094 L N 0.277 121.501 121.223 0.000 0.000 2.079 1094 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 1094 L C 2.164 178.982 176.870 -0.086 0.000 1.081 1094 L CA 2.344 57.101 54.840 -0.137 0.000 0.752 1094 L CB -1.013 40.946 42.059 -0.167 0.000 0.896 1094 L HN 0.170 nan 8.230 nan 0.000 0.433 1095 T N -1.155 113.383 114.554 -0.026 0.000 2.951 1095 T HA -0.134 4.216 4.350 -0.001 0.000 0.268 1095 T C 1.973 176.691 174.700 0.031 0.000 1.073 1095 T CA 1.202 63.305 62.100 0.005 0.000 1.134 1095 T CB -0.142 68.733 68.868 0.011 0.000 0.884 1095 T HN 0.339 nan 8.240 nan 0.000 0.479 1096 R N 1.179 121.702 120.500 0.037 0.000 2.073 1096 R HA 0.041 4.381 4.340 -0.001 0.000 0.229 1096 R C 2.191 178.521 176.300 0.050 0.000 1.120 1096 R CA 1.202 57.334 56.100 0.053 0.000 0.967 1096 R CB 0.040 30.396 30.300 0.093 0.000 0.862 1096 R HN 0.236 nan 8.270 nan 0.000 0.436 1097 K N -0.102 120.277 120.400 -0.035 0.000 2.155 1097 K HA -0.087 4.233 4.320 -0.001 0.000 0.203 1097 K C 1.905 178.560 176.600 0.093 0.000 1.052 1097 K CA 0.839 57.144 56.287 0.030 0.000 0.948 1097 K CB -0.004 32.427 32.500 -0.115 0.000 0.728 1097 K HN 0.082 nan 8.250 nan 0.000 0.448 1098 L N 0.389 121.660 121.223 0.080 0.000 2.093 1098 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 1098 L C 2.080 179.025 176.870 0.125 0.000 1.085 1098 L CA 1.270 56.191 54.840 0.134 0.000 0.755 1098 L CB -0.234 41.895 42.059 0.118 0.000 0.904 1098 L HN -0.067 nan 8.230 nan 0.000 0.435 1099 V N -1.155 118.830 119.914 0.117 0.000 2.488 1099 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 1099 V C 1.986 178.216 176.094 0.227 0.000 1.046 1099 V CA 1.358 63.745 62.300 0.145 0.000 1.053 1099 V CB -0.458 31.433 31.823 0.115 0.000 0.679 1099 V HN 0.344 nan 8.190 nan 0.000 0.458 1100 D N 0.283 120.813 120.400 0.217 0.000 2.190 1100 D HA -0.165 4.475 4.640 -0.001 0.000 0.200 1100 D C 1.933 178.347 176.300 0.192 0.000 0.992 1100 D CA 1.853 56.019 54.000 0.275 0.000 0.854 1100 D CB 0.028 40.985 40.800 0.262 0.000 0.936 1100 D HN 0.512 nan 8.370 nan 0.000 0.462 1101 V N -4.356 115.608 119.914 0.083 0.000 3.048 1101 V HA 0.144 4.263 4.120 -0.001 0.000 0.241 1101 V C 1.654 177.692 176.094 -0.094 0.000 1.129 1101 V CA 0.793 63.080 62.300 -0.022 0.000 1.128 1101 V CB 0.099 31.929 31.823 0.012 0.000 0.849 1101 V HN -0.083 nan 8.190 nan 0.000 0.475 1102 T N 1.460 116.001 114.554 -0.022 0.000 3.122 1102 T HA 0.156 4.506 4.350 -0.001 0.000 0.250 1102 T C 1.513 176.205 174.700 -0.013 0.000 1.067 1102 T CA 0.675 62.764 62.100 -0.018 0.000 0.966 1102 T CB -0.596 68.301 68.868 0.050 0.000 1.002 1102 T HN 0.866 nan 8.240 nan 0.000 0.542 1103 H N 2.178 121.275 119.070 0.045 0.000 2.387 1103 H HA -0.103 4.453 4.556 -0.001 0.000 0.299 1103 H C 1.952 177.295 175.328 0.024 0.000 1.090 1103 H CA 1.691 57.756 56.048 0.029 0.000 1.332 1103 H CB -0.241 29.531 29.762 0.016 0.000 1.386 1103 H HN 0.615 nan 8.280 nan 0.000 0.516 1104 E N 1.539 121.636 120.200 -0.170 0.000 2.204 1104 E HA -0.070 4.279 4.350 -0.001 0.000 0.195 1104 E C 0.573 177.190 176.600 0.028 0.000 0.990 1104 E CA 0.104 56.499 56.400 -0.008 0.000 0.821 1104 E CB -0.042 29.608 29.700 -0.082 0.000 0.750 1104 E HN 0.250 nan 8.360 nan 0.000 0.477 1105 I N 2.853 123.424 120.570 0.003 0.000 2.664 1105 I HA 0.027 4.197 4.170 -0.001 0.000 0.284 1105 I C -0.185 175.936 176.117 0.006 0.000 1.154 1105 I CA 0.215 61.522 61.300 0.011 0.000 1.402 1105 I CB 0.439 38.439 38.000 0.000 0.000 1.395 1105 I HN -0.007 nan 8.210 nan 0.000 0.545 1106 V N 7.163 127.078 119.914 0.003 0.000 3.012 1106 V HA 0.286 4.405 4.120 -0.001 0.000 0.307 1106 V C -0.181 175.895 176.094 -0.031 0.000 1.166 1106 V CA -0.886 61.405 62.300 -0.016 0.000 0.974 1106 V CB 2.657 34.484 31.823 0.007 0.000 1.040 1106 V HN 0.302 nan 8.190 nan 0.000 0.428 1107 V N 5.171 125.048 119.914 -0.062 0.000 2.397 1107 V HA 0.366 4.485 4.120 -0.001 0.000 0.262 1107 V C 0.294 176.353 176.094 -0.059 0.000 1.047 1107 V CA -0.044 62.216 62.300 -0.067 0.000 1.003 1107 V CB 0.084 31.849 31.823 -0.096 0.000 1.037 1107 V HN 0.922 nan 8.190 nan 0.000 0.480 1108 R N 3.834 124.298 120.500 -0.060 0.000 2.539 1108 R HA 0.745 5.084 4.340 -0.001 0.000 0.295 1108 R C -0.757 175.483 176.300 -0.099 0.000 1.138 1108 R CA -0.815 55.238 56.100 -0.078 0.000 0.936 1108 R CB 1.755 32.042 30.300 -0.021 0.000 1.182 1108 R HN 0.735 nan 8.270 nan 0.000 0.459 1109 E N 2.131 122.223 120.200 -0.180 0.000 2.377 1109 E HA 0.780 5.129 4.350 -0.001 0.000 0.266 1109 E C -1.716 174.779 176.600 -0.175 0.000 1.111 1109 E CA -1.010 55.310 56.400 -0.133 0.000 0.889 1109 E CB 0.923 30.572 29.700 -0.084 0.000 1.644 1109 E HN 0.575 nan 8.360 nan 0.000 0.464 1110 A N 0.578 123.341 122.820 -0.095 0.000 2.486 1110 A HA 0.489 4.808 4.320 -0.001 0.000 0.300 1110 A C -1.402 176.162 177.584 -0.033 0.000 1.048 1110 A CA -0.743 51.259 52.037 -0.059 0.000 0.696 1110 A CB 0.917 19.898 19.000 -0.033 0.000 1.278 1110 A HN 0.626 nan 8.150 nan 0.000 0.405 1111 D N 2.128 122.518 120.400 -0.017 0.000 2.659 1111 D HA 0.030 4.669 4.640 -0.001 0.000 0.264 1111 D C 1.104 177.397 176.300 -0.011 0.000 1.329 1111 D CA 0.602 54.597 54.000 -0.008 0.000 0.963 1111 D CB -0.448 40.351 40.800 -0.001 0.000 1.136 1111 D HN 0.771 nan 8.370 nan 0.000 0.554 1112 C N 1.402 120.693 119.300 -0.014 0.000 2.523 1112 C HA 0.265 4.725 4.460 -0.001 0.000 0.406 1112 C C 1.919 176.905 174.990 -0.007 0.000 1.449 1112 C CA -0.252 58.759 59.018 -0.012 0.000 1.588 1112 C CB -0.162 27.570 27.740 -0.014 0.000 2.514 1112 C HN 0.659 nan 8.230 nan 0.000 0.606 1113 G N 2.924 111.722 108.800 -0.004 0.000 2.744 1113 G HA2 0.102 4.061 3.960 -0.001 0.000 0.211 1113 G HA3 0.102 4.061 3.960 -0.001 0.000 0.211 1113 G C 0.795 175.700 174.900 0.007 0.000 1.143 1113 G CA 0.577 45.678 45.100 0.001 0.000 0.788 1113 G HN 0.880 nan 8.290 nan 0.000 0.534 1114 T N 2.101 116.658 114.554 0.006 0.000 2.855 1114 T HA 0.345 4.695 4.350 -0.001 0.000 0.290 1114 T C 0.148 174.866 174.700 0.030 0.000 0.941 1114 T CA -0.129 61.979 62.100 0.014 0.000 1.030 1114 T CB -0.198 68.672 68.868 0.004 0.000 0.935 1114 T HN 0.020 nan 8.240 nan 0.000 0.564 1115 T N 6.383 120.964 114.554 0.046 0.000 3.162 1115 T HA 0.287 4.636 4.350 -0.001 0.000 0.316 1115 T C 0.044 174.822 174.700 0.129 0.000 1.182 1115 T CA -0.767 61.388 62.100 0.091 0.000 1.015 1115 T CB -0.301 68.615 68.868 0.080 0.000 1.089 1115 T HN 0.464 nan 8.240 nan 0.000 0.646 1116 N N 3.505 122.262 118.700 0.094 0.000 2.682 1116 N HA 0.231 4.971 4.740 -0.001 0.000 0.252 1116 N C -0.747 174.748 175.510 -0.024 0.000 1.081 1116 N CA -0.597 52.452 53.050 -0.002 0.000 0.844 1116 N CB 1.310 39.778 38.487 -0.032 0.000 1.167 1116 N HN 0.642 nan 8.380 nan 0.000 0.523 1117 Y N -0.281 120.007 120.300 -0.020 0.000 2.545 1117 Y HA 0.678 5.227 4.550 -0.001 0.000 0.324 1117 Y C -0.061 175.826 175.900 -0.022 0.000 1.220 1117 Y CA -1.249 56.834 58.100 -0.029 0.000 1.290 1117 Y CB 0.964 39.401 38.460 -0.038 0.000 1.355 1117 Y HN 0.081 nan 8.280 nan 0.000 0.516 1118 I N 2.276 122.881 120.570 0.059 0.000 2.385 1118 I HA 0.203 4.372 4.170 -0.001 0.000 0.294 1118 I C -0.374 175.844 176.117 0.169 0.000 0.988 1118 I CA -0.622 60.682 61.300 0.008 0.000 1.265 1118 I CB 1.448 39.456 38.000 0.013 0.000 1.388 1118 I HN 0.814 nan 8.210 nan 0.000 0.480 1119 S N 5.799 121.551 115.700 0.087 0.000 2.410 1119 S HA 0.469 4.938 4.470 -0.001 0.000 0.304 1119 S C -0.259 174.392 174.600 0.085 0.000 1.095 1119 S CA -0.777 57.519 58.200 0.159 0.000 1.089 1119 S CB 0.899 64.179 63.200 0.135 0.000 0.968 1119 S HN 0.294 nan 8.310 nan 0.000 0.480 1120 V N 5.612 125.573 119.914 0.077 0.000 2.470 1120 V HA 0.265 4.384 4.120 -0.001 0.000 0.276 1120 V C -2.136 173.993 176.094 0.058 0.000 1.040 1120 V CA -1.517 60.810 62.300 0.045 0.000 1.008 1120 V CB 0.398 32.235 31.823 0.023 0.000 0.990 1120 V HN 0.690 nan 8.190 nan 0.000 0.477 1121 P HA 0.261 nan 4.420 nan 0.000 0.280 1121 P C 0.367 177.719 177.300 0.086 0.000 1.244 1121 P CA -0.262 62.892 63.100 0.090 0.000 0.784 1121 P CB 1.126 32.874 31.700 0.081 0.000 0.913 1122 L N 1.791 123.111 121.223 0.161 0.000 2.556 1122 L HA 0.374 4.713 4.340 -0.001 0.000 0.226 1122 L C -0.267 176.521 176.870 -0.137 0.000 1.089 1122 L CA 0.403 55.260 54.840 0.028 0.000 0.864 1122 L CB 0.186 42.273 42.059 0.047 0.000 1.067 1122 L HN 0.219 nan 8.230 nan 0.000 0.477 1123 F N 0.173 120.126 119.950 0.005 0.000 2.508 1123 F HA 0.381 4.908 4.527 -0.001 0.000 0.325 1123 F C -0.112 175.693 175.800 0.008 0.000 1.090 1123 F CA -0.799 57.204 58.000 0.006 0.000 0.945 1123 F CB 1.559 40.562 39.000 0.006 0.000 1.156 1123 F HN -0.087 nan 8.300 nan 0.000 0.463 1124 Q N 3.937 123.832 119.800 0.158 0.000 2.316 1124 Q HA 0.472 4.812 4.340 -0.001 0.000 0.264 1124 Q C -2.668 173.394 176.000 0.104 0.000 0.987 1124 Q CA -1.919 53.946 55.803 0.103 0.000 0.852 1124 Q CB 2.419 31.187 28.738 0.051 0.000 1.287 1124 Q HN 0.307 nan 8.270 nan 0.000 0.448 1125 P HA -0.140 nan 4.420 nan 0.000 0.205 1125 P C -0.283 177.051 177.300 0.056 0.000 1.181 1125 P CA 1.163 64.303 63.100 0.067 0.000 0.933 1125 P CB 0.202 31.938 31.700 0.060 0.000 0.775 1126 D N -0.872 119.558 120.400 0.050 0.000 2.462 1126 D HA 0.063 4.702 4.640 -0.001 0.000 0.249 1126 D C 0.525 176.848 176.300 0.038 0.000 1.117 1126 D CA -0.116 53.909 54.000 0.042 0.000 0.900 1126 D CB 0.364 41.187 40.800 0.039 0.000 1.039 1126 D HN -0.033 nan 8.370 nan 0.000 0.516 1127 E N 1.441 121.662 120.200 0.035 0.000 2.110 1127 E HA 0.095 4.444 4.350 -0.001 0.000 0.193 1127 E C 0.086 176.701 176.600 0.025 0.000 0.950 1127 E CA 0.535 56.952 56.400 0.029 0.000 0.840 1127 E CB 0.884 30.600 29.700 0.026 0.000 0.809 1127 E HN 0.216 nan 8.360 nan 0.000 0.465 1128 V N 1.528 121.457 119.914 0.025 0.000 2.435 1128 V HA 0.049 4.169 4.120 -0.001 0.000 0.290 1128 V C 1.402 177.511 176.094 0.025 0.000 1.030 1128 V CA 0.219 62.532 62.300 0.023 0.000 0.881 1128 V CB 1.387 33.222 31.823 0.021 0.000 0.983 1128 V HN 0.346 nan 8.190 nan 0.000 0.445 1129 T N 4.338 118.906 114.554 0.022 0.000 1.881 1129 T HA -0.317 4.033 4.350 -0.001 0.000 0.144 1129 T C 0.818 175.534 174.700 0.027 0.000 1.872 1129 T CA 2.192 64.305 62.100 0.023 0.000 0.930 1129 T CB -0.077 68.803 68.868 0.020 0.000 0.811 1129 T HN 0.579 nan 8.240 nan 0.000 0.402 1130 R N 0.851 121.366 120.500 0.026 0.000 2.467 1130 R HA 0.621 4.961 4.340 -0.001 0.000 0.299 1130 R C -1.494 174.822 176.300 0.028 0.000 1.120 1130 R CA -0.101 56.016 56.100 0.028 0.000 0.940 1130 R CB 1.853 32.169 30.300 0.025 0.000 1.161 1130 R HN 0.414 nan 8.270 nan 0.000 0.506 1131 S N 2.704 118.426 115.700 0.036 0.000 2.720 1131 S HA 0.301 4.771 4.470 -0.001 0.000 0.278 1131 S C -1.299 173.339 174.600 0.062 0.000 1.172 1131 S CA -0.720 57.505 58.200 0.041 0.000 1.019 1131 S CB 1.499 64.722 63.200 0.038 0.000 1.049 1131 S HN 0.354 nan 8.310 nan 0.000 0.483 1132 L N 4.188 125.452 121.223 0.068 0.000 2.410 1132 L HA 0.436 4.775 4.340 -0.001 0.000 0.273 1132 L C 0.136 177.126 176.870 0.200 0.000 1.152 1132 L CA 0.956 55.870 54.840 0.123 0.000 0.855 1132 L CB 0.051 42.146 42.059 0.060 0.000 1.129 1132 L HN 0.645 nan 8.230 nan 0.000 0.463 1133 R N 4.027 124.686 120.500 0.265 0.000 2.771 1133 R HA 0.476 4.815 4.340 -0.001 0.000 0.274 1133 R C -1.366 174.965 176.300 0.052 0.000 0.987 1133 R CA -1.241 54.964 56.100 0.174 0.000 0.908 1133 R CB 1.346 31.686 30.300 0.066 0.000 1.213 1133 R HN 0.368 nan 8.270 nan 0.000 0.468 1134 L N 2.601 123.714 121.223 -0.184 0.000 2.418 1134 L HA 0.197 4.536 4.340 -0.001 0.000 0.274 1134 L C 1.022 177.700 176.870 -0.319 0.000 1.135 1134 L CA 0.398 54.897 54.840 -0.568 0.000 0.870 1134 L CB 0.208 42.021 42.059 -0.409 0.000 1.154 1134 L HN 0.351 nan 8.230 nan 0.000 0.462 1135 R N 3.158 123.461 120.500 -0.329 0.000 2.861 1135 R HA 0.059 4.399 4.340 -0.001 0.000 0.268 1135 R C 0.030 176.245 176.300 -0.141 0.000 1.027 1135 R CA -0.219 55.782 56.100 -0.164 0.000 1.163 1135 R CB 0.478 30.704 30.300 -0.123 0.000 1.060 1135 R HN 0.513 nan 8.270 nan 0.000 0.483 1136 K N 1.530 121.876 120.400 -0.089 0.000 2.380 1136 K HA -0.084 4.235 4.320 -0.001 0.000 0.267 1136 K C 1.215 177.765 176.600 -0.082 0.000 0.990 1136 K CA 0.172 56.413 56.287 -0.076 0.000 0.946 1136 K CB 0.476 32.946 32.500 -0.050 0.000 0.937 1136 K HN 0.497 nan 8.250 nan 0.000 0.491 1137 R N 1.929 122.381 120.500 -0.079 0.000 2.127 1137 R HA -0.214 4.126 4.340 -0.001 0.000 0.238 1137 R C 1.810 178.072 176.300 -0.063 0.000 1.134 1137 R CA 1.802 57.856 56.100 -0.077 0.000 0.975 1137 R CB -0.134 30.114 30.300 -0.087 0.000 0.865 1137 R HN 0.782 nan 8.270 nan 0.000 0.447 1138 A N 1.166 123.950 122.820 -0.059 0.000 1.840 1138 A HA -0.147 4.173 4.320 -0.001 0.000 0.214 1138 A C 1.649 179.197 177.584 -0.060 0.000 1.198 1138 A CA 1.664 53.668 52.037 -0.056 0.000 0.608 1138 A CB -0.542 18.433 19.000 -0.042 0.000 0.839 1138 A HN 0.373 nan 8.150 nan 0.000 0.443 1139 D N 0.347 120.715 120.400 -0.054 0.000 2.104 1139 D HA -0.158 4.482 4.640 -0.001 0.000 0.194 1139 D C 1.871 178.127 176.300 -0.072 0.000 0.994 1139 D CA 1.482 55.448 54.000 -0.057 0.000 0.830 1139 D CB -0.481 40.292 40.800 -0.046 0.000 0.959 1139 D HN 0.539 nan 8.370 nan 0.000 0.452 1140 I N 1.063 121.592 120.570 -0.069 0.000 2.226 1140 I HA -0.220 3.949 4.170 -0.001 0.000 0.245 1140 I C 2.337 178.418 176.117 -0.060 0.000 1.100 1140 I CA 1.099 62.361 61.300 -0.064 0.000 1.374 1140 I CB -0.276 37.683 38.000 -0.068 0.000 1.057 1140 I HN -0.035 nan 8.210 nan 0.000 0.413 1141 E N 0.964 121.130 120.200 -0.056 0.000 2.110 1141 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 1141 E C 2.389 178.922 176.600 -0.111 0.000 0.988 1141 E CA 1.181 57.550 56.400 -0.052 0.000 0.804 1141 E CB -0.151 29.513 29.700 -0.060 0.000 0.745 1141 E HN 0.522 nan 8.360 nan 0.000 0.458 1142 A N 0.952 123.675 122.820 -0.162 0.000 1.940 1142 A HA -0.134 4.185 4.320 -0.001 0.000 0.219 1142 A C 2.347 179.610 177.584 -0.535 0.000 1.176 1142 A CA 1.835 53.688 52.037 -0.307 0.000 0.631 1142 A CB -0.888 18.007 19.000 -0.174 0.000 0.814 1142 A HN 0.372 nan 8.150 nan 0.000 0.446 1143 G N -1.186 107.456 108.800 -0.265 0.000 2.426 1143 G HA2 0.091 4.051 3.960 -0.001 0.000 0.214 1143 G HA3 0.091 4.051 3.960 -0.001 0.000 0.214 1143 G C 1.370 176.206 174.900 -0.106 0.000 1.156 1143 G CA 0.761 45.751 45.100 -0.184 0.000 0.802 1143 G HN 0.403 nan 8.290 nan 0.000 0.534 1144 L N -0.783 120.404 121.223 -0.060 0.000 2.664 1144 L HA 0.336 4.676 4.340 -0.001 0.000 0.233 1144 L C 0.687 177.600 176.870 0.072 0.000 1.113 1144 L CA -0.608 54.231 54.840 -0.001 0.000 0.896 1144 L CB 0.181 42.238 42.059 -0.003 0.000 1.163 1144 L HN 0.293 nan 8.230 nan 0.000 0.497 1145 Y N 1.244 121.516 120.300 -0.047 0.000 2.712 1145 Y HA 0.096 4.646 4.550 -0.001 0.000 0.333 1145 Y C 1.453 177.427 175.900 0.123 0.000 1.225 1145 Y CA 0.337 58.459 58.100 0.036 0.000 1.499 1145 Y CB 0.669 39.168 38.460 0.065 0.000 1.288 1145 Y HN 0.248 nan 8.280 nan 0.000 0.575 1146 G N 5.600 114.193 108.800 -0.345 0.000 2.422 1146 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.301 1146 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.301 1146 G C 0.180 174.868 174.900 -0.353 0.000 0.981 1146 G CA 0.137 44.867 45.100 -0.616 0.000 0.994 1146 G HN 0.597 nan 8.290 nan 0.000 0.514 1147 R N -1.617 118.722 120.500 -0.269 0.000 2.705 1147 R HA 0.691 5.030 4.340 -0.001 0.000 0.246 1147 R C -0.126 175.945 176.300 -0.381 0.000 1.142 1147 R CA -0.861 55.081 56.100 -0.263 0.000 1.114 1147 R CB 1.347 31.558 30.300 -0.150 0.000 1.256 1147 R HN 0.118 nan 8.270 nan 0.000 0.536 1148 V N 2.186 121.856 119.914 -0.405 0.000 2.409 1148 V HA 0.272 4.391 4.120 -0.001 0.000 0.291 1148 V C 0.346 176.255 176.094 -0.309 0.000 1.020 1148 V CA -0.719 61.269 62.300 -0.521 0.000 0.848 1148 V CB 1.676 33.083 31.823 -0.693 0.000 0.990 1148 V HN 0.484 nan 8.190 nan 0.000 0.430 1149 L N 4.171 125.234 121.223 -0.266 0.000 2.584 1149 L HA 0.083 4.423 4.340 -0.001 0.000 0.272 1149 L C 1.643 178.386 176.870 -0.212 0.000 1.195 1149 L CA 0.335 55.051 54.840 -0.207 0.000 0.920 1149 L CB 1.092 43.048 42.059 -0.172 0.000 1.173 1149 L HN 0.874 nan 8.230 nan 0.000 0.489 1150 A N 6.110 128.785 122.820 -0.241 0.000 2.014 1150 A HA 0.036 4.356 4.320 -0.001 0.000 0.218 1150 A C 0.828 178.245 177.584 -0.278 0.000 1.163 1150 A CA 0.846 52.736 52.037 -0.244 0.000 0.652 1150 A CB 0.027 18.854 19.000 -0.288 0.000 0.808 1150 A HN 0.756 nan 8.150 nan 0.000 0.449 1151 R N -0.733 119.569 120.500 -0.329 0.000 2.799 1151 R HA 0.455 4.794 4.340 -0.001 0.000 0.270 1151 R C -0.980 175.212 176.300 -0.180 0.000 1.010 1151 R CA -0.857 55.096 56.100 -0.246 0.000 0.916 1151 R CB 1.018 31.138 30.300 -0.299 0.000 1.228 1151 R HN 0.235 nan 8.270 nan 0.000 0.469 1152 E N 1.418 121.544 120.200 -0.122 0.000 2.373 1152 E HA 0.229 4.578 4.350 -0.001 0.000 0.267 1152 E C -1.128 175.422 176.600 -0.082 0.000 1.032 1152 E CA -0.165 56.181 56.400 -0.089 0.000 0.889 1152 E CB 1.289 30.952 29.700 -0.061 0.000 0.984 1152 E HN 0.252 nan 8.360 nan 0.000 0.425 1153 V N 5.009 124.882 119.914 -0.068 0.000 2.569 1153 V HA 0.173 4.293 4.120 -0.001 0.000 0.301 1153 V C -0.711 175.363 176.094 -0.034 0.000 1.044 1153 V CA -0.648 61.620 62.300 -0.053 0.000 0.874 1153 V CB 1.901 33.688 31.823 -0.060 0.000 1.002 1153 V HN 0.661 nan 8.190 nan 0.000 0.424 1154 E N 3.385 123.571 120.200 -0.024 0.000 2.109 1154 E HA 0.463 4.813 4.350 -0.001 0.000 0.278 1154 E C -0.349 176.246 176.600 -0.008 0.000 0.954 1154 E CA -0.192 56.199 56.400 -0.015 0.000 0.779 1154 E CB 2.183 31.875 29.700 -0.013 0.000 1.093 1154 E HN 0.518 nan 8.360 nan 0.000 0.401 1155 V N 3.377 123.290 119.914 -0.002 0.000 4.262 1155 V HA 0.036 4.155 4.120 -0.001 0.000 0.188 1155 V C 1.684 177.784 176.094 0.010 0.000 1.073 1155 V CA -0.284 62.020 62.300 0.006 0.000 1.445 1155 V CB -0.457 31.373 31.823 0.012 0.000 1.904 1155 V HN 0.590 nan 8.190 nan 0.000 0.449 1156 L N 0.054 121.285 121.223 0.013 0.000 2.395 1156 L HA 0.296 4.635 4.340 -0.001 0.000 0.218 1156 L C 1.512 178.388 176.870 0.011 0.000 1.130 1156 L CA 1.419 56.268 54.840 0.015 0.000 0.826 1156 L CB 0.515 42.585 42.059 0.019 0.000 0.941 1156 L HN 0.816 nan 8.230 nan 0.000 0.451 1157 G N -1.974 106.831 108.800 0.007 0.000 3.847 1157 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.189 1157 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.189 1157 G C 0.046 174.948 174.900 0.003 0.000 0.907 1157 G CA 0.007 45.110 45.100 0.005 0.000 0.893 1157 G HN -0.054 nan 8.290 nan 0.000 0.379 1158 V N 1.870 121.786 119.914 0.004 0.000 3.133 1158 V HA 0.514 4.634 4.120 -0.001 0.000 0.305 1158 V C 0.727 176.819 176.094 -0.004 0.000 1.084 1158 V CA -0.446 61.854 62.300 0.001 0.000 1.089 1158 V CB 1.488 33.313 31.823 0.003 0.000 1.073 1158 V HN 0.326 nan 8.190 nan 0.000 0.477 1159 R N 2.668 123.164 120.500 -0.006 0.000 2.278 1159 R HA 0.363 4.702 4.340 -0.001 0.000 0.322 1159 R C -1.026 175.264 176.300 -0.016 0.000 1.058 1159 R CA -0.490 55.603 56.100 -0.011 0.000 0.991 1159 R CB 0.224 30.517 30.300 -0.011 0.000 1.140 1159 R HN 0.731 nan 8.270 nan 0.000 0.518 1160 L N 6.074 127.284 121.223 -0.022 0.000 2.485 1160 L HA 0.090 4.429 4.340 -0.001 0.000 0.279 1160 L C 1.284 178.130 176.870 -0.040 0.000 1.124 1160 L CA -0.069 54.752 54.840 -0.031 0.000 0.888 1160 L CB 0.052 42.088 42.059 -0.037 0.000 1.217 1160 L HN 0.535 nan 8.230 nan 0.000 0.464 1161 E N 3.995 124.175 120.200 -0.035 0.000 2.392 1161 E HA 0.061 4.411 4.350 -0.001 0.000 0.256 1161 E C -0.297 176.268 176.600 -0.059 0.000 1.145 1161 E CA -0.549 55.828 56.400 -0.038 0.000 0.929 1161 E CB 1.202 30.889 29.700 -0.021 0.000 0.998 1161 E HN 0.625 nan 8.360 nan 0.000 0.442 1162 E N -0.255 119.908 120.200 -0.062 0.000 2.390 1162 E HA 0.216 4.565 4.350 -0.001 0.000 0.261 1162 E C 0.736 177.286 176.600 -0.083 0.000 1.076 1162 E CA 0.497 56.845 56.400 -0.087 0.000 0.905 1162 E CB 0.130 29.784 29.700 -0.078 0.000 0.984 1162 E HN 0.752 nan 8.360 nan 0.000 0.427 1163 G N 3.438 112.162 108.800 -0.128 0.000 2.270 1163 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.268 1163 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.268 1163 G C 0.511 175.302 174.900 -0.181 0.000 0.982 1163 G CA 0.720 45.727 45.100 -0.155 0.000 0.628 1163 G HN 0.637 nan 8.290 nan 0.000 0.544 1164 R N 0.310 120.752 120.500 -0.098 0.000 2.522 1164 R HA 0.236 4.576 4.340 -0.001 0.000 0.284 1164 R C -0.513 175.710 176.300 -0.128 0.000 1.032 1164 R CA -0.260 55.831 56.100 -0.014 0.000 1.049 1164 R CB -0.035 30.256 30.300 -0.016 0.000 0.956 1164 R HN 0.206 nan 8.270 nan 0.000 0.422 1165 Y N 5.295 125.489 120.300 -0.175 0.000 2.486 1165 Y HA 0.141 4.691 4.550 -0.001 0.000 0.348 1165 Y C 0.358 176.016 175.900 -0.404 0.000 1.000 1165 Y CA -0.357 57.544 58.100 -0.332 0.000 1.253 1165 Y CB 0.543 38.752 38.460 -0.417 0.000 1.140 1165 Y HN 0.266 nan 8.280 nan 0.000 0.526 1166 L N 3.154 124.227 121.223 -0.250 0.000 2.410 1166 L HA 0.191 4.530 4.340 -0.001 0.000 0.273 1166 L C 0.849 177.593 176.870 -0.210 0.000 1.144 1166 L CA -0.171 54.563 54.840 -0.176 0.000 0.863 1166 L CB 0.585 42.578 42.059 -0.109 0.000 1.140 1166 L HN 0.577 nan 8.230 nan 0.000 0.463 1167 S N 2.350 117.999 115.700 -0.085 0.000 2.624 1167 S HA 0.144 4.613 4.470 -0.001 0.000 0.263 1167 S C 1.053 175.745 174.600 0.152 0.000 1.287 1167 S CA -0.575 57.695 58.200 0.116 0.000 0.990 1167 S CB 1.000 64.308 63.200 0.179 0.000 0.950 1167 S HN 0.675 nan 8.310 nan 0.000 0.561 1168 M N 1.637 121.400 119.600 0.272 0.000 2.202 1168 M HA -0.080 4.400 4.480 -0.001 0.000 0.262 1168 M C 1.254 177.159 176.300 -0.658 0.000 1.063 1168 M CA 1.723 56.932 55.300 -0.152 0.000 1.097 1168 M CB -0.582 31.920 32.600 -0.163 0.000 1.382 1168 M HN 0.680 nan 8.290 nan 0.000 0.413 1169 D N -0.203 120.029 120.400 -0.280 0.000 2.224 1169 D HA -0.128 4.511 4.640 -0.001 0.000 0.205 1169 D C 1.462 177.700 176.300 -0.102 0.000 0.965 1169 D CA 0.931 54.807 54.000 -0.206 0.000 0.852 1169 D CB -0.138 40.666 40.800 0.007 0.000 0.947 1169 D HN 0.414 nan 8.370 nan 0.000 0.494 1170 D N -0.146 120.208 120.400 -0.077 0.000 2.137 1170 D HA -0.070 4.570 4.640 -0.001 0.000 0.202 1170 D C 2.199 178.488 176.300 -0.018 0.000 0.970 1170 D CA 0.415 54.399 54.000 -0.027 0.000 0.837 1170 D CB 0.127 40.911 40.800 -0.028 0.000 0.981 1170 D HN 0.067 nan 8.370 nan 0.000 0.475 1171 V N 1.471 121.353 119.914 -0.054 0.000 2.867 1171 V HA -0.191 3.929 4.120 -0.001 0.000 0.260 1171 V C 1.889 178.051 176.094 0.114 0.000 1.099 1171 V CA 1.351 63.653 62.300 0.003 0.000 1.122 1171 V CB -0.683 31.142 31.823 0.003 0.000 0.708 1171 V HN 0.208 nan 8.190 nan 0.000 0.490 1172 H N -0.875 118.207 119.070 0.019 0.000 2.448 1172 H HA 0.096 4.651 4.556 -0.001 0.000 0.292 1172 H C 1.940 177.272 175.328 0.007 0.000 1.035 1172 H CA 1.055 57.107 56.048 0.007 0.000 1.349 1172 H CB -0.123 29.650 29.762 0.019 0.000 1.425 1172 H HN 0.392 nan 8.280 nan 0.000 0.539 1173 L N 0.292 121.593 121.223 0.130 0.000 2.005 1173 L HA -0.074 4.265 4.340 -0.001 0.000 0.207 1173 L C 2.175 179.078 176.870 0.055 0.000 1.072 1173 L CA 1.270 56.154 54.840 0.074 0.000 0.744 1173 L CB -0.794 41.293 42.059 0.047 0.000 0.895 1173 L HN 0.135 nan 8.230 nan 0.000 0.433 1174 L N -0.760 120.492 121.223 0.048 0.000 2.042 1174 L HA -0.277 4.063 4.340 -0.001 0.000 0.210 1174 L C 2.469 179.365 176.870 0.044 0.000 1.076 1174 L CA 1.726 56.591 54.840 0.041 0.000 0.749 1174 L CB -0.363 41.714 42.059 0.030 0.000 0.893 1174 L HN 0.330 nan 8.230 nan 0.000 0.432 1175 I N -0.725 119.868 120.570 0.039 0.000 2.127 1175 I HA -0.332 3.837 4.170 -0.001 0.000 0.241 1175 I C 2.653 178.779 176.117 0.014 0.000 1.075 1175 I CA 1.188 62.491 61.300 0.006 0.000 1.334 1175 I CB -0.538 37.458 38.000 -0.007 0.000 1.040 1175 I HN 0.245 nan 8.210 nan 0.000 0.405 1176 K N 1.588 122.003 120.400 0.026 0.000 2.113 1176 K HA -0.205 4.115 4.320 -0.001 0.000 0.208 1176 K C 2.056 178.680 176.600 0.040 0.000 1.047 1176 K CA 1.882 58.185 56.287 0.026 0.000 0.928 1176 K CB -0.215 32.303 32.500 0.030 0.000 0.716 1176 K HN 0.361 nan 8.250 nan 0.000 0.446 1177 A N 0.705 123.553 122.820 0.047 0.000 1.898 1177 A HA -0.013 4.306 4.320 -0.001 0.000 0.216 1177 A C 2.370 180.004 177.584 0.083 0.000 1.181 1177 A CA 1.840 53.910 52.037 0.054 0.000 0.620 1177 A CB -0.651 18.378 19.000 0.048 0.000 0.819 1177 A HN 0.383 nan 8.150 nan 0.000 0.442 1178 A N -0.185 122.702 122.820 0.110 0.000 1.978 1178 A HA -0.203 4.116 4.320 -0.001 0.000 0.220 1178 A C 2.008 179.740 177.584 0.247 0.000 1.170 1178 A CA 1.834 54.004 52.037 0.222 0.000 0.636 1178 A CB -0.547 18.583 19.000 0.217 0.000 0.810 1178 A HN 0.705 nan 8.150 nan 0.000 0.448 1179 E N 0.047 120.321 120.200 0.123 0.000 2.038 1179 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 1179 E C 2.083 178.742 176.600 0.098 0.000 1.000 1179 E CA 1.272 57.729 56.400 0.096 0.000 0.803 1179 E CB -0.287 29.437 29.700 0.040 0.000 0.750 1179 E HN 0.528 nan 8.360 nan 0.000 0.448 1180 A N 0.189 123.054 122.820 0.075 0.000 2.015 1180 A HA 0.090 4.409 4.320 -0.001 0.000 0.219 1180 A C 1.555 179.173 177.584 0.057 0.000 1.163 1180 A CA 1.314 53.384 52.037 0.055 0.000 0.646 1180 A CB -0.506 18.519 19.000 0.041 0.000 0.806 1180 A HN 0.567 nan 8.150 nan 0.000 0.448 1181 G N -1.018 107.831 108.800 0.082 0.000 2.600 1181 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.251 1181 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.251 1181 G C 0.025 174.941 174.900 0.027 0.000 1.142 1181 G CA 0.426 45.559 45.100 0.054 0.000 0.994 1181 G HN 0.486 nan 8.290 nan 0.000 0.511 1182 E N -1.148 119.079 120.200 0.045 0.000 2.514 1182 E HA 0.373 4.723 4.350 -0.001 0.000 0.215 1182 E C 0.520 177.136 176.600 0.026 0.000 0.946 1182 E CA 0.515 56.930 56.400 0.025 0.000 1.038 1182 E CB 0.478 30.194 29.700 0.026 0.000 1.069 1182 E HN 0.830 nan 8.360 nan 0.000 0.503 1183 I N -1.594 119.008 120.570 0.054 0.000 2.649 1183 I HA 0.315 4.484 4.170 -0.001 0.000 0.289 1183 I C -0.101 176.080 176.117 0.107 0.000 1.222 1183 I CA -0.654 60.682 61.300 0.059 0.000 1.046 1183 I CB 1.916 39.952 38.000 0.060 0.000 1.272 1183 I HN -0.338 nan 8.210 nan 0.000 0.425 1184 Q N 2.303 122.133 119.800 0.050 0.000 2.392 1184 Q HA 0.394 4.733 4.340 -0.001 0.000 0.219 1184 Q C -0.177 175.898 176.000 0.125 0.000 0.895 1184 Q CA 1.002 56.835 55.803 0.050 0.000 0.929 1184 Q CB 0.673 29.358 28.738 -0.089 0.000 1.077 1184 Q HN 0.825 nan 8.270 nan 0.000 0.532 1185 E N -1.744 118.511 120.200 0.092 0.000 2.446 1185 E HA 0.658 5.008 4.350 -0.001 0.000 0.267 1185 E C -1.483 175.164 176.600 0.077 0.000 0.955 1185 E CA -0.968 55.488 56.400 0.093 0.000 0.842 1185 E CB 2.643 32.395 29.700 0.087 0.000 1.504 1185 E HN -0.278 nan 8.360 nan 0.000 0.438 1186 V N 2.148 122.109 119.914 0.078 0.000 2.610 1186 V HA 0.304 4.423 4.120 -0.001 0.000 0.298 1186 V C -2.561 173.564 176.094 0.051 0.000 1.067 1186 V CA -1.563 60.761 62.300 0.040 0.000 0.894 1186 V CB 1.848 33.683 31.823 0.020 0.000 1.015 1186 V HN 0.531 nan 8.190 nan 0.000 0.432 1187 P HA 0.237 nan 4.420 nan 0.000 0.270 1187 P C -0.832 176.369 177.300 -0.165 0.000 1.242 1187 P CA 0.300 63.239 63.100 -0.268 0.000 0.768 1187 P CB 1.929 33.165 31.700 -0.774 0.000 0.820 1188 V N 5.190 125.131 119.914 0.047 0.000 2.851 1188 V HA 0.326 4.446 4.120 -0.001 0.000 0.307 1188 V C -0.298 175.822 176.094 0.043 0.000 1.129 1188 V CA -1.086 61.203 62.300 -0.018 0.000 0.932 1188 V CB 2.501 34.309 31.823 -0.026 0.000 1.024 1188 V HN 0.393 nan 8.190 nan 0.000 0.426 1189 R N 3.538 124.016 120.500 -0.038 0.000 2.484 1189 R HA 0.433 4.772 4.340 -0.001 0.000 0.293 1189 R C -0.015 176.264 176.300 -0.034 0.000 1.023 1189 R CA 0.444 56.532 56.100 -0.021 0.000 1.037 1189 R CB 0.990 31.243 30.300 -0.079 0.000 0.951 1189 R HN 0.831 nan 8.270 nan 0.000 0.418 1190 S N 2.782 118.480 115.700 -0.005 0.000 2.569 1190 S HA 0.405 4.874 4.470 -0.001 0.000 0.280 1190 S C -2.314 172.282 174.600 -0.008 0.000 1.111 1190 S CA -1.633 56.556 58.200 -0.018 0.000 0.887 1190 S CB 2.293 65.489 63.200 -0.007 0.000 1.095 1190 S HN 0.207 nan 8.310 nan 0.000 0.476 1191 P HA 0.076 nan 4.420 nan 0.000 0.225 1191 P C 1.114 178.409 177.300 -0.008 0.000 1.148 1191 P CA 0.701 63.807 63.100 0.010 0.000 0.779 1191 P CB -0.027 31.694 31.700 0.036 0.000 0.780 1192 L N -1.307 119.908 121.223 -0.013 0.000 2.456 1192 L HA -0.036 4.303 4.340 -0.001 0.000 0.224 1192 L C 0.873 177.729 176.870 -0.023 0.000 1.148 1192 L CA 1.525 56.353 54.840 -0.020 0.000 0.825 1192 L CB -1.024 41.021 42.059 -0.024 0.000 0.937 1192 L HN 0.152 nan 8.230 nan 0.000 0.450 1193 T N -5.416 109.126 114.554 -0.020 0.000 3.604 1193 T HA 0.170 4.519 4.350 -0.001 0.000 0.305 1193 T C -0.073 174.617 174.700 -0.016 0.000 0.978 1193 T CA -0.541 61.545 62.100 -0.022 0.000 0.999 1193 T CB -0.689 68.158 68.868 -0.034 0.000 1.204 1193 T HN 0.055 nan 8.240 nan 0.000 0.476 1194 C N 2.412 121.700 119.300 -0.020 0.000 2.520 1194 C HA 0.451 4.910 4.460 -0.001 0.000 0.376 1194 C C 2.111 177.079 174.990 -0.037 0.000 1.268 1194 C CA -0.012 58.993 59.018 -0.022 0.000 2.414 1194 C CB 1.215 28.942 27.740 -0.021 0.000 2.521 1194 C HN 0.869 nan 8.230 nan 0.000 0.618 1195 Q N 1.403 121.182 119.800 -0.035 0.000 2.349 1195 Q HA 0.042 4.381 4.340 -0.001 0.000 0.209 1195 Q C 0.530 176.491 176.000 -0.066 0.000 0.920 1195 Q CA 0.658 56.433 55.803 -0.046 0.000 0.901 1195 Q CB -0.412 28.308 28.738 -0.030 0.000 1.021 1195 Q HN 0.731 nan 8.270 nan 0.000 0.519 1196 T N 3.732 118.254 114.554 -0.054 0.000 2.695 1196 T HA -0.027 4.323 4.350 -0.001 0.000 0.264 1196 T C 0.857 175.493 174.700 -0.106 0.000 0.993 1196 T CA 0.349 62.416 62.100 -0.055 0.000 1.248 1196 T CB 0.410 69.258 68.868 -0.032 0.000 0.946 1196 T HN 0.442 nan 8.240 nan 0.000 0.526 1197 R N 3.251 123.658 120.500 -0.155 0.000 2.154 1197 R HA -0.179 4.161 4.340 -0.001 0.000 0.236 1197 R C -0.006 175.982 176.300 -0.520 0.000 1.121 1197 R CA 1.536 57.412 56.100 -0.375 0.000 0.915 1197 R CB -0.529 29.535 30.300 -0.393 0.000 0.856 1197 R HN 0.537 nan 8.270 nan 0.000 0.431 1198 Y N 1.298 121.552 120.300 -0.076 0.000 2.593 1198 Y HA 0.570 5.119 4.550 -0.001 0.000 0.331 1198 Y C 0.634 176.502 175.900 -0.054 0.000 0.986 1198 Y CA 0.231 58.289 58.100 -0.070 0.000 1.262 1198 Y CB 1.616 40.031 38.460 -0.074 0.000 1.098 1198 Y HN 0.696 nan 8.280 nan 0.000 0.506 1199 G N 0.448 109.271 108.800 0.038 0.000 2.357 1199 G HA2 0.237 4.196 3.960 -0.001 0.000 0.643 1199 G HA3 0.237 4.196 3.960 -0.001 0.000 0.643 1199 G C -2.001 172.891 174.900 -0.014 0.000 1.358 1199 G CA -1.002 44.107 45.100 0.016 0.000 0.986 1199 G HN 0.458 nan 8.290 nan 0.000 0.620 1200 V N -0.762 119.143 119.914 -0.015 0.000 3.040 1200 V HA 0.748 4.868 4.120 -0.001 0.000 0.312 1200 V C 1.142 177.233 176.094 -0.006 0.000 1.115 1200 V CA -0.304 61.992 62.300 -0.006 0.000 0.998 1200 V CB 1.367 33.201 31.823 0.018 0.000 1.042 1200 V HN 1.922 nan 8.190 nan 0.000 0.433 1201 C N 0.949 120.252 119.300 0.006 0.000 2.328 1201 C HA 0.476 4.935 4.460 -0.001 0.000 0.378 1201 C C 1.659 176.675 174.990 0.044 0.000 1.249 1201 C CA -0.269 58.750 59.018 0.001 0.000 2.204 1201 C CB 1.111 28.846 27.740 -0.009 0.000 2.218 1201 C HN 1.023 nan 8.230 nan 0.000 0.564 1202 Q N 0.474 120.299 119.800 0.043 0.000 2.050 1202 Q HA -0.148 4.192 4.340 -0.001 0.000 0.202 1202 Q C 2.139 178.221 176.000 0.136 0.000 0.980 1202 Q CA 1.768 57.641 55.803 0.117 0.000 0.840 1202 Q CB -0.088 28.712 28.738 0.103 0.000 0.898 1202 Q HN 0.783 nan 8.270 nan 0.000 0.424 1203 K N -0.691 119.733 120.400 0.039 0.000 2.155 1203 K HA -0.062 4.257 4.320 -0.001 0.000 0.203 1203 K C 2.071 178.600 176.600 -0.117 0.000 1.052 1203 K CA 0.915 57.142 56.287 -0.101 0.000 0.948 1203 K CB 0.093 32.532 32.500 -0.102 0.000 0.728 1203 K HN 0.295 nan 8.250 nan 0.000 0.448 1204 C N -0.306 118.975 119.300 -0.032 0.000 2.492 1204 C HA -0.029 4.431 4.460 -0.001 0.000 0.279 1204 C C 2.387 177.369 174.990 -0.013 0.000 1.335 1204 C CA -0.149 58.852 59.018 -0.030 0.000 1.734 1204 C CB -0.626 27.115 27.740 0.002 0.000 2.027 1204 C HN 0.465 nan 8.230 nan 0.000 0.496 1205 Y N 1.867 122.128 120.300 -0.066 0.000 2.084 1205 Y HA 0.319 4.868 4.550 -0.001 0.000 0.279 1205 Y C 1.587 177.430 175.900 -0.095 0.000 1.119 1205 Y CA 2.215 60.268 58.100 -0.079 0.000 1.101 1205 Y CB -0.630 37.796 38.460 -0.055 0.000 0.989 1205 Y HN 0.374 nan 8.280 nan 0.000 0.484 1206 G N -2.299 106.464 108.800 -0.062 0.000 2.286 1206 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.118 1206 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.118 1206 G C 0.221 175.275 174.900 0.257 0.000 1.267 1206 G CA -0.040 44.975 45.100 -0.142 0.000 1.171 1206 G HN 0.350 nan 8.290 nan 0.000 0.465 1207 Y N 0.776 121.030 120.300 -0.076 0.000 2.254 1207 Y HA 0.260 4.809 4.550 -0.001 0.000 0.274 1207 Y C 1.408 177.322 175.900 0.023 0.000 1.093 1207 Y CA 0.562 58.654 58.100 -0.014 0.000 1.105 1207 Y CB 0.135 38.460 38.460 -0.225 0.000 1.041 1207 Y HN 0.455 nan 8.280 nan 0.000 0.489 1208 D N 2.244 122.709 120.400 0.108 0.000 2.659 1208 D HA -0.054 4.586 4.640 -0.001 0.000 0.275 1208 D C -0.341 176.113 176.300 0.256 0.000 1.407 1208 D CA 0.306 54.371 54.000 0.107 0.000 1.033 1208 D CB -0.235 40.602 40.800 0.060 0.000 1.139 1208 D HN 0.164 nan 8.370 nan 0.000 0.565 1209 L N 2.776 124.072 121.223 0.123 0.000 2.578 1209 L HA 0.334 4.673 4.340 -0.001 0.000 0.259 1209 L C 1.409 178.313 176.870 0.058 0.000 1.082 1209 L CA -0.591 54.296 54.840 0.078 0.000 0.843 1209 L CB 0.990 43.070 42.059 0.036 0.000 1.535 1209 L HN 0.176 nan 8.230 nan 0.000 0.510 1210 S N 0.008 115.729 115.700 0.034 0.000 2.442 1210 S HA -0.011 4.458 4.470 -0.001 0.000 0.236 1210 S C 0.705 175.324 174.600 0.032 0.000 1.007 1210 S CA 0.830 59.040 58.200 0.016 0.000 0.965 1210 S CB -0.361 62.836 63.200 -0.005 0.000 0.773 1210 S HN 0.473 nan 8.310 nan 0.000 0.504 1211 M N 0.100 119.736 119.600 0.059 0.000 2.359 1211 M HA 0.418 4.897 4.480 -0.001 0.000 0.322 1211 M C 0.757 177.084 176.300 0.044 0.000 1.166 1211 M CA -0.281 55.093 55.300 0.124 0.000 1.067 1211 M CB 1.096 33.723 32.600 0.045 0.000 1.523 1211 M HN 0.069 nan 8.290 nan 0.000 0.467 1212 A N 3.010 125.881 122.820 0.085 0.000 2.238 1212 A HA 0.077 4.397 4.320 -0.001 0.000 0.208 1212 A C 0.678 177.758 177.584 -0.841 0.000 1.177 1212 A CA 0.194 52.089 52.037 -0.237 0.000 0.804 1212 A CB -0.409 18.617 19.000 0.043 0.000 0.823 1212 A HN 0.860 nan 8.150 nan 0.000 0.482 1213 R N -0.788 119.425 120.500 -0.478 0.000 2.606 1213 R HA 0.553 4.892 4.340 -0.001 0.000 0.249 1213 R C -2.916 173.258 176.300 -0.210 0.000 1.127 1213 R CA -1.863 53.994 56.100 -0.405 0.000 1.133 1213 R CB -0.572 29.602 30.300 -0.209 0.000 1.243 1213 R HN -0.141 nan 8.270 nan 0.000 0.558 1214 P HA -0.172 nan 4.420 nan 0.000 0.267 1214 P C -0.437 176.895 177.300 0.054 0.000 1.195 1214 P CA -0.044 63.008 63.100 -0.079 0.000 0.773 1214 P CB 0.360 31.740 31.700 -0.534 0.000 0.837 1215 V N 3.482 123.515 119.914 0.199 0.000 2.599 1215 V HA 0.005 4.124 4.120 -0.001 0.000 0.300 1215 V C -0.014 176.118 176.094 0.064 0.000 1.034 1215 V CA 0.485 62.876 62.300 0.152 0.000 1.115 1215 V CB -0.045 31.921 31.823 0.239 0.000 0.934 1215 V HN 0.481 nan 8.190 nan 0.000 0.485 1216 S N 8.142 123.858 115.700 0.026 0.000 2.474 1216 S HA 0.443 4.912 4.470 -0.001 0.000 0.276 1216 S C 0.029 174.633 174.600 0.005 0.000 1.227 1216 S CA -0.423 57.789 58.200 0.021 0.000 1.050 1216 S CB 0.320 63.538 63.200 0.031 0.000 0.939 1216 S HN 0.664 nan 8.310 nan 0.000 0.490 1217 I N 2.235 122.793 120.570 -0.020 0.000 2.826 1217 I HA 0.210 4.380 4.170 -0.001 0.000 0.295 1217 I C 1.423 177.547 176.117 0.012 0.000 1.213 1217 I CA 0.506 61.760 61.300 -0.076 0.000 1.436 1217 I CB -0.447 37.374 38.000 -0.298 0.000 1.348 1217 I HN 0.924 nan 8.210 nan 0.000 0.570 1218 G N 3.720 112.520 108.800 -0.000 0.000 2.163 1218 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.213 1218 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.213 1218 G C -0.041 174.870 174.900 0.019 0.000 0.991 1218 G CA -0.201 44.927 45.100 0.046 0.000 0.653 1218 G HN 0.747 nan 8.290 nan 0.000 0.518 1219 E N 0.791 120.975 120.200 -0.026 0.000 2.167 1219 E HA 0.637 4.987 4.350 -0.001 0.000 0.284 1219 E C 0.889 177.443 176.600 -0.077 0.000 1.016 1219 E CA -0.108 56.261 56.400 -0.050 0.000 0.817 1219 E CB 0.787 30.434 29.700 -0.089 0.000 1.080 1219 E HN 0.680 nan 8.360 nan 0.000 0.397 1220 A N 4.985 127.781 122.820 -0.040 0.000 3.017 1220 A HA 0.034 4.354 4.320 -0.001 0.000 0.283 1220 A C 1.032 178.580 177.584 -0.060 0.000 1.892 1220 A CA -0.076 51.943 52.037 -0.029 0.000 1.469 1220 A CB -0.469 18.534 19.000 0.005 0.000 0.999 1220 A HN 0.606 nan 8.150 nan 0.000 0.605 1221 V N 2.529 122.365 119.914 -0.131 0.000 2.515 1221 V HA -0.182 3.938 4.120 -0.001 0.000 0.250 1221 V C 2.745 178.814 176.094 -0.042 0.000 1.058 1221 V CA 2.191 64.371 62.300 -0.200 0.000 1.064 1221 V CB -1.059 30.507 31.823 -0.428 0.000 0.675 1221 V HN 0.818 nan 8.190 nan 0.000 0.461 1222 G N 0.546 109.340 108.800 -0.010 0.000 2.459 1222 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.217 1222 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.217 1222 G C 1.474 176.418 174.900 0.073 0.000 1.183 1222 G CA 1.371 46.496 45.100 0.042 0.000 0.776 1222 G HN 0.456 nan 8.290 nan 0.000 0.552 1223 I N 0.377 120.984 120.570 0.063 0.000 2.163 1223 I HA -0.104 4.065 4.170 -0.001 0.000 0.240 1223 I C 2.883 179.037 176.117 0.062 0.000 1.081 1223 I CA 0.500 61.841 61.300 0.068 0.000 1.353 1223 I CB -0.788 37.247 38.000 0.059 0.000 1.054 1223 I HN 0.023 nan 8.210 nan 0.000 0.407 1224 V N 1.048 120.992 119.914 0.050 0.000 2.311 1224 V HA -0.420 3.699 4.120 -0.001 0.000 0.256 1224 V C 2.611 178.752 176.094 0.079 0.000 1.077 1224 V CA 2.251 64.586 62.300 0.059 0.000 1.067 1224 V CB -1.335 30.519 31.823 0.052 0.000 0.659 1224 V HN 0.561 nan 8.190 nan 0.000 0.451 1225 A N -0.423 122.519 122.820 0.203 0.000 1.832 1225 A HA -0.028 4.292 4.320 -0.001 0.000 0.214 1225 A C 2.476 180.111 177.584 0.085 0.000 1.204 1225 A CA 1.962 54.215 52.037 0.359 0.000 0.606 1225 A CB -1.116 18.126 19.000 0.404 0.000 0.849 1225 A HN 0.648 nan 8.150 nan 0.000 0.445 1226 A N -0.635 122.250 122.820 0.109 0.000 1.971 1226 A HA -0.300 4.020 4.320 -0.001 0.000 0.222 1226 A C 2.134 179.744 177.584 0.045 0.000 1.182 1226 A CA 2.042 54.134 52.037 0.091 0.000 0.649 1226 A CB -0.651 18.406 19.000 0.095 0.000 0.818 1226 A HN 0.705 nan 8.150 nan 0.000 0.458 1227 Q N -0.346 119.465 119.800 0.018 0.000 2.033 1227 Q HA -0.102 4.237 4.340 -0.001 0.000 0.196 1227 Q C 2.392 178.384 176.000 -0.014 0.000 0.970 1227 Q CA 1.611 57.423 55.803 0.017 0.000 0.828 1227 Q CB -0.417 28.345 28.738 0.040 0.000 0.895 1227 Q HN 0.813 nan 8.270 nan 0.000 0.440 1228 S N 0.882 116.505 115.700 -0.127 0.000 2.462 1228 S HA -0.121 4.349 4.470 -0.001 0.000 0.243 1228 S C 1.797 176.363 174.600 -0.056 0.000 1.003 1228 S CA 1.015 59.106 58.200 -0.182 0.000 0.970 1228 S CB -0.323 62.486 63.200 -0.651 0.000 0.762 1228 S HN 0.281 nan 8.310 nan 0.000 0.510 1229 I N 0.888 121.451 120.570 -0.012 0.000 3.265 1229 I HA 0.164 4.334 4.170 -0.001 0.000 0.282 1229 I C 2.498 178.689 176.117 0.123 0.000 1.207 1229 I CA 0.617 61.963 61.300 0.076 0.000 1.449 1229 I CB -0.303 37.741 38.000 0.074 0.000 1.121 1229 I HN 0.418 nan 8.210 nan 0.000 0.442 1230 G N 0.237 109.068 108.800 0.052 0.000 2.603 1230 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.214 1230 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.214 1230 G C 1.479 176.379 174.900 -0.000 0.000 1.140 1230 G CA 0.097 45.208 45.100 0.018 0.000 0.800 1230 G HN 0.306 nan 8.290 nan 0.000 0.533 1231 E N 1.420 121.623 120.200 0.004 0.000 2.016 1231 E HA -0.037 4.312 4.350 -0.001 0.000 0.190 1231 E C -0.294 176.287 176.600 -0.032 0.000 0.985 1231 E CA 0.733 57.106 56.400 -0.045 0.000 0.802 1231 E CB -0.654 29.005 29.700 -0.067 0.000 0.762 1231 E HN 0.229 nan 8.360 nan 0.000 0.448 1232 P HA -0.104 nan 4.420 nan 0.000 0.217 1232 P C 1.325 178.526 177.300 -0.165 0.000 1.148 1232 P CA 1.995 65.090 63.100 -0.008 0.000 0.828 1232 P CB -0.446 31.350 31.700 0.161 0.000 0.783 1233 G N -0.490 108.228 108.800 -0.136 0.000 2.480 1233 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.216 1233 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.216 1233 G C 1.425 176.221 174.900 -0.173 0.000 1.200 1233 G CA 1.791 46.755 45.100 -0.227 0.000 0.782 1233 G HN 0.176 nan 8.290 nan 0.000 0.554 1234 T N 0.279 114.764 114.554 -0.115 0.000 2.760 1234 T HA -0.255 4.095 4.350 -0.001 0.000 0.269 1234 T C 2.219 176.854 174.700 -0.108 0.000 1.047 1234 T CA 1.907 63.947 62.100 -0.100 0.000 1.139 1234 T CB -0.207 68.610 68.868 -0.086 0.000 0.855 1234 T HN 0.565 nan 8.240 nan 0.000 0.471 1235 Q N 0.709 120.438 119.800 -0.119 0.000 2.165 1235 Q HA 0.029 4.369 4.340 -0.001 0.000 0.197 1235 Q C 2.051 177.967 176.000 -0.140 0.000 0.952 1235 Q CA 0.722 56.458 55.803 -0.111 0.000 0.848 1235 Q CB -0.031 28.654 28.738 -0.089 0.000 0.931 1235 Q HN 0.623 nan 8.270 nan 0.000 0.470 1236 L N -2.809 118.296 121.223 -0.196 0.000 2.590 1236 L HA 0.390 4.729 4.340 -0.001 0.000 0.227 1236 L C 1.837 178.583 176.870 -0.208 0.000 1.099 1236 L CA 0.619 55.331 54.840 -0.213 0.000 0.872 1236 L CB -0.457 41.430 42.059 -0.286 0.000 1.088 1236 L HN -0.099 nan 8.230 nan 0.000 0.479 1237 T N -0.424 114.005 114.554 -0.208 0.000 3.035 1237 T HA 0.050 4.399 4.350 -0.001 0.000 0.268 1237 T C 1.630 176.293 174.700 -0.062 0.000 1.109 1237 T CA 1.403 63.423 62.100 -0.135 0.000 1.119 1237 T CB -0.220 68.565 68.868 -0.138 0.000 0.900 1237 T HN 0.327 nan 8.240 nan 0.000 0.503 1238 M N -0.472 119.051 119.600 -0.128 0.000 2.287 1238 M HA 0.149 4.628 4.480 -0.001 0.000 0.266 1238 M C 2.327 178.361 176.300 -0.444 0.000 1.079 1238 M CA 1.257 56.425 55.300 -0.219 0.000 1.146 1238 M CB 0.149 32.603 32.600 -0.244 0.000 1.374 1238 M HN -0.022 nan 8.290 nan 0.000 0.435 1239 R N -1.141 119.197 120.500 -0.270 0.000 2.080 1239 R HA -0.009 4.331 4.340 -0.001 0.000 0.222 1239 R C 1.909 178.186 176.300 -0.038 0.000 1.107 1239 R CA 1.719 57.701 56.100 -0.196 0.000 0.980 1239 R CB -0.245 29.984 30.300 -0.118 0.000 0.879 1239 R HN 0.289 nan 8.270 nan 0.000 0.439 1240 T N 0.703 115.242 114.554 -0.024 0.000 2.759 1240 T HA -0.190 4.159 4.350 -0.001 0.000 0.269 1240 T C 1.319 176.081 174.700 0.102 0.000 1.042 1240 T CA 1.377 63.490 62.100 0.023 0.000 1.140 1240 T CB -0.314 68.549 68.868 -0.008 0.000 0.864 1240 T HN 0.228 nan 8.240 nan 0.000 0.455 1241 F N 1.600 121.574 119.950 0.041 0.000 2.325 1241 F HA 0.001 4.527 4.527 -0.001 0.000 0.299 1241 F C 1.993 177.911 175.800 0.197 0.000 1.090 1241 F CA 0.861 58.929 58.000 0.113 0.000 1.392 1241 F CB -0.359 38.722 39.000 0.135 0.000 1.053 1241 F HN 0.152 nan 8.300 nan 0.000 0.521 1242 H N -0.129 118.804 119.070 -0.229 0.000 2.495 1242 H HA 0.134 4.689 4.556 -0.001 0.000 0.287 1242 H C 0.877 176.063 175.328 -0.238 0.000 1.033 1242 H CA 1.109 56.980 56.048 -0.295 0.000 1.307 1242 H CB -0.544 29.170 29.762 -0.080 0.000 1.401 1242 H HN 0.292 nan 8.280 nan 0.000 0.555 1252 I N 1.437 122.010 120.570 0.006 0.000 2.644 1252 I HA -0.325 3.844 4.170 -0.001 0.000 0.243 1252 I C 0.263 176.389 176.117 0.015 0.000 0.895 1252 I CA 1.965 63.271 61.300 0.010 0.000 1.293 1252 I CB -1.674 36.330 38.000 0.007 0.000 0.986 1252 I HN 0.197 nan 8.210 nan 0.000 0.422 1253 T N 0.055 114.616 114.554 0.012 0.000 3.105 1253 T HA 0.525 4.875 4.350 -0.001 0.000 0.321 1253 T C -0.750 173.966 174.700 0.027 0.000 1.135 1253 T CA -0.850 61.264 62.100 0.022 0.000 1.053 1253 T CB 2.115 70.995 68.868 0.019 0.000 1.133 1253 T HN 0.158 nan 8.240 nan 0.000 0.463 1254 Q N 1.094 120.921 119.800 0.044 0.000 2.256 1254 Q HA 0.664 5.003 4.340 -0.001 0.000 0.254 1254 Q C 0.682 176.737 176.000 0.091 0.000 0.916 1254 Q CA -0.822 55.020 55.803 0.066 0.000 0.932 1254 Q CB 1.776 30.558 28.738 0.073 0.000 1.207 1254 Q HN 0.890 nan 8.270 nan 0.000 0.426 1255 G N 0.905 109.785 108.800 0.133 0.000 3.306 1255 G HA2 0.086 4.046 3.960 -0.001 0.000 0.202 1255 G HA3 0.086 4.046 3.960 -0.001 0.000 0.202 1255 G C 0.492 175.452 174.900 0.101 0.000 1.673 1255 G CA -0.400 44.763 45.100 0.105 0.000 0.776 1255 G HN 0.522 nan 8.290 nan 0.000 0.740 1256 L N 1.974 123.237 121.223 0.065 0.000 2.064 1256 L HA -0.053 4.286 4.340 -0.001 0.000 0.216 1256 L C -0.030 176.854 176.870 0.024 0.000 1.077 1256 L CA 2.486 57.328 54.840 0.003 0.000 0.766 1256 L CB -1.014 41.011 42.059 -0.056 0.000 0.890 1256 L HN 0.209 nan 8.230 nan 0.000 0.435 1257 P HA -0.189 nan 4.420 nan 0.000 0.215 1257 P C 1.568 178.922 177.300 0.090 0.000 1.153 1257 P CA 1.482 64.631 63.100 0.082 0.000 0.853 1257 P CB -0.032 31.773 31.700 0.175 0.000 0.788 1258 R N -0.009 120.557 120.500 0.110 0.000 2.073 1258 R HA -0.061 4.278 4.340 -0.001 0.000 0.229 1258 R C 1.780 178.153 176.300 0.121 0.000 1.120 1258 R CA 1.354 57.522 56.100 0.113 0.000 0.967 1258 R CB -1.453 28.917 30.300 0.116 0.000 0.862 1258 R HN -0.031 nan 8.270 nan 0.000 0.436 1259 V N 1.087 121.060 119.914 0.099 0.000 2.688 1259 V HA -0.198 3.922 4.120 -0.001 0.000 0.256 1259 V C 2.050 178.161 176.094 0.028 0.000 1.084 1259 V CA 1.208 63.554 62.300 0.076 0.000 1.103 1259 V CB -0.604 31.209 31.823 -0.016 0.000 0.688 1259 V HN 0.265 nan 8.190 nan 0.000 0.480 1260 I N 0.189 120.776 120.570 0.029 0.000 2.480 1260 I HA -0.083 4.086 4.170 -0.001 0.000 0.251 1260 I C 2.466 178.644 176.117 0.101 0.000 1.124 1260 I CA 1.254 62.575 61.300 0.035 0.000 1.444 1260 I CB -0.917 37.092 38.000 0.014 0.000 1.098 1260 I HN 0.466 nan 8.210 nan 0.000 0.428 1261 E N 0.750 121.014 120.200 0.106 0.000 2.274 1261 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 1261 E C 2.068 178.744 176.600 0.127 0.000 0.996 1261 E CA 0.695 57.158 56.400 0.105 0.000 0.840 1261 E CB 0.286 30.043 29.700 0.096 0.000 0.772 1261 E HN 0.220 nan 8.360 nan 0.000 0.491 1262 L N -0.443 120.897 121.223 0.195 0.000 2.121 1262 L HA 0.022 4.362 4.340 -0.001 0.000 0.200 1262 L C 1.862 178.870 176.870 0.229 0.000 1.077 1262 L CA 1.248 56.222 54.840 0.223 0.000 0.766 1262 L CB -0.704 41.542 42.059 0.312 0.000 0.931 1262 L HN 0.158 nan 8.230 nan 0.000 0.452 1263 F N -0.046 119.906 119.950 0.003 0.000 2.234 1263 F HA -0.061 4.465 4.527 -0.001 0.000 0.299 1263 F C 1.174 176.967 175.800 -0.013 0.000 1.087 1263 F CA 0.314 58.310 58.000 -0.007 0.000 1.340 1263 F CB -0.451 38.545 39.000 -0.007 0.000 1.031 1263 F HN 0.060 nan 8.300 nan 0.000 0.500 1264 E N 0.502 120.815 120.200 0.188 0.000 2.046 1264 E HA 0.478 4.828 4.350 -0.001 0.000 0.279 1264 E C -0.284 176.352 176.600 0.061 0.000 0.989 1264 E CA -0.373 56.083 56.400 0.095 0.000 0.798 1264 E CB 0.622 30.371 29.700 0.082 0.000 1.086 1264 E HN 0.149 nan 8.360 nan 0.000 0.399 1265 A N 5.296 128.129 122.820 0.021 0.000 2.522 1265 A HA 0.381 4.701 4.320 -0.001 0.000 0.256 1265 A C -0.277 177.311 177.584 0.007 0.000 1.086 1265 A CA 0.215 52.223 52.037 -0.049 0.000 0.763 1265 A CB -0.042 18.889 19.000 -0.116 0.000 1.024 1265 A HN 0.731 nan 8.150 nan 0.000 0.502 1266 R N 1.134 121.623 120.500 -0.018 0.000 2.741 1266 R HA 0.457 4.797 4.340 -0.001 0.000 0.276 1266 R C -0.579 175.741 176.300 0.032 0.000 1.028 1266 R CA -1.037 55.093 56.100 0.050 0.000 0.865 1266 R CB 0.848 31.188 30.300 0.068 0.000 1.268 1266 R HN 0.617 nan 8.270 nan 0.000 0.475 1267 R N 1.925 122.462 120.500 0.061 0.000 2.351 1267 R HA 0.224 4.564 4.340 -0.001 0.000 0.321 1267 R C -1.966 174.360 176.300 0.043 0.000 1.182 1267 R CA -1.139 54.991 56.100 0.050 0.000 1.011 1267 R CB -0.056 30.281 30.300 0.061 0.000 1.048 1267 R HN 0.397 nan 8.270 nan 0.000 0.490 1268 P HA -0.052 nan 4.420 nan 0.000 0.271 1268 P C 0.264 177.587 177.300 0.039 0.000 1.238 1268 P CA -0.326 62.801 63.100 0.045 0.000 0.794 1268 P CB 0.721 32.449 31.700 0.046 0.000 0.959 1269 K N 0.764 121.190 120.400 0.044 0.000 1.968 1269 K HA -0.052 4.268 4.320 -0.001 0.000 0.222 1269 K C 0.466 177.083 176.600 0.027 0.000 1.043 1269 K CA 1.343 57.652 56.287 0.038 0.000 0.991 1269 K CB -0.742 31.783 32.500 0.043 0.000 0.744 1269 K HN 0.516 nan 8.250 nan 0.000 0.445 1270 A N 2.267 125.102 122.820 0.025 0.000 2.437 1270 A HA 0.143 4.462 4.320 -0.001 0.000 0.303 1270 A C -0.450 177.138 177.584 0.007 0.000 1.324 1270 A CA -0.183 51.863 52.037 0.015 0.000 0.983 1270 A CB 0.100 19.110 19.000 0.015 0.000 1.142 1270 A HN 0.404 nan 8.150 nan 0.000 0.541 1271 K N 2.108 122.506 120.400 -0.003 0.000 2.154 1271 K HA 0.602 4.921 4.320 -0.001 0.000 0.264 1271 K C -0.315 176.260 176.600 -0.042 0.000 1.008 1271 K CA -0.187 56.087 56.287 -0.021 0.000 0.937 1271 K CB 0.914 33.402 32.500 -0.020 0.000 1.002 1271 K HN 0.668 nan 8.250 nan 0.000 0.469 1272 A N 3.317 126.094 122.820 -0.072 0.000 2.310 1272 A HA 0.279 4.599 4.320 -0.001 0.000 0.304 1272 A C -0.576 176.905 177.584 -0.172 0.000 1.231 1272 A CA -0.851 51.126 52.037 -0.101 0.000 0.799 1272 A CB 0.769 19.715 19.000 -0.090 0.000 1.162 1272 A HN 0.636 nan 8.150 nan 0.000 0.486 1273 V N 2.988 122.771 119.914 -0.218 0.000 2.452 1273 V HA 0.337 4.457 4.120 -0.001 0.000 0.286 1273 V C 0.317 176.087 176.094 -0.539 0.000 0.995 1273 V CA 0.125 62.172 62.300 -0.421 0.000 1.116 1273 V CB -1.396 30.142 31.823 -0.475 0.000 0.954 1273 V HN 0.768 nan 8.190 nan 0.000 0.473 1274 I N 3.254 123.515 120.570 -0.516 0.000 2.886 1274 I HA 0.617 4.787 4.170 -0.001 0.000 0.299 1274 I C 0.738 176.538 176.117 -0.528 0.000 1.044 1274 I CA -0.137 60.921 61.300 -0.404 0.000 1.310 1274 I CB 1.449 39.300 38.000 -0.249 0.000 1.441 1274 I HN 0.754 nan 8.210 nan 0.000 0.578 1275 S N 2.812 118.359 115.700 -0.256 0.000 2.409 1275 S HA 0.252 4.722 4.470 -0.001 0.000 0.308 1275 S C 0.647 175.250 174.600 0.005 0.000 1.080 1275 S CA -0.496 57.663 58.200 -0.068 0.000 1.081 1275 S CB 0.303 63.463 63.200 -0.068 0.000 1.009 1275 S HN 0.822 nan 8.310 nan 0.000 0.502 1276 E N 2.931 123.212 120.200 0.134 0.000 2.209 1276 E HA -0.036 4.313 4.350 -0.001 0.000 0.196 1276 E C 0.170 176.780 176.600 0.017 0.000 0.993 1276 E CA 0.912 57.358 56.400 0.077 0.000 0.819 1276 E CB 0.022 29.793 29.700 0.119 0.000 0.745 1276 E HN 0.742 nan 8.360 nan 0.000 0.477 1277 I N 1.766 122.303 120.570 -0.055 0.000 2.498 1277 I HA 0.090 4.260 4.170 -0.001 0.000 0.301 1277 I C -0.910 175.132 176.117 -0.125 0.000 0.984 1277 I CA -0.936 60.292 61.300 -0.120 0.000 1.204 1277 I CB 1.438 39.191 38.000 -0.412 0.000 1.362 1277 I HN -0.136 nan 8.210 nan 0.000 0.471 1278 D N 4.169 124.508 120.400 -0.103 0.000 2.460 1278 D HA 0.539 5.178 4.640 -0.001 0.000 0.232 1278 D C 0.221 176.326 176.300 -0.325 0.000 1.079 1278 D CA -0.539 53.323 54.000 -0.230 0.000 0.864 1278 D CB 1.687 42.445 40.800 -0.070 0.000 1.048 1278 D HN 0.676 nan 8.370 nan 0.000 0.523 1279 G N 0.561 109.068 108.800 -0.489 0.000 2.691 1279 G HA2 0.489 4.449 3.960 -0.001 0.000 0.169 1279 G HA3 0.489 4.449 3.960 -0.001 0.000 0.169 1279 G C -0.716 173.900 174.900 -0.474 0.000 1.638 1279 G CA -0.140 44.745 45.100 -0.360 0.000 0.822 1279 G HN 0.407 nan 8.290 nan 0.000 0.768 1280 V N -0.626 119.139 119.914 -0.247 0.000 3.232 1280 V HA 0.660 4.779 4.120 -0.001 0.000 0.303 1280 V C -0.859 175.186 176.094 -0.082 0.000 1.311 1280 V CA -0.601 61.616 62.300 -0.139 0.000 1.061 1280 V CB 2.247 34.057 31.823 -0.022 0.000 1.085 1280 V HN 0.323 nan 8.190 nan 0.000 0.447 1281 V N 1.663 121.558 119.914 -0.031 0.000 2.975 1281 V HA 0.840 4.960 4.120 -0.001 0.000 0.318 1281 V C -0.232 175.879 176.094 0.027 0.000 1.077 1281 V CA -0.498 61.807 62.300 0.010 0.000 1.000 1281 V CB 2.143 33.975 31.823 0.015 0.000 1.066 1281 V HN 0.916 nan 8.190 nan 0.000 0.452 1282 R N 1.102 121.634 120.500 0.053 0.000 2.747 1282 R HA 0.771 5.110 4.340 -0.001 0.000 0.272 1282 R C -1.843 174.488 176.300 0.051 0.000 1.032 1282 R CA -0.475 55.644 56.100 0.032 0.000 0.896 1282 R CB 1.715 32.017 30.300 0.003 0.000 1.253 1282 R HN 0.716 nan 8.270 nan 0.000 0.461 1283 I N -2.238 118.341 120.570 0.015 0.000 3.006 1283 I HA 0.633 4.803 4.170 -0.001 0.000 0.306 1283 I C -0.745 175.357 176.117 -0.025 0.000 1.250 1283 I CA -1.077 60.238 61.300 0.025 0.000 0.996 1283 I CB 2.375 40.396 38.000 0.036 0.000 1.261 1283 I HN 0.271 nan 8.210 nan 0.000 0.442 1284 E N 1.826 122.013 120.200 -0.023 0.000 2.339 1284 E HA 0.295 4.644 4.350 -0.001 0.000 0.262 1284 E C -0.181 176.408 176.600 -0.017 0.000 0.934 1284 E CA -0.334 56.038 56.400 -0.048 0.000 0.802 1284 E CB 2.346 31.994 29.700 -0.086 0.000 1.275 1284 E HN 0.845 nan 8.360 nan 0.000 0.427 1285 E N -0.336 119.849 120.200 -0.024 0.000 2.251 1285 E HA 0.089 4.438 4.350 -0.001 0.000 0.194 1285 E C 0.184 176.779 176.600 -0.009 0.000 0.964 1285 E CA 0.100 56.492 56.400 -0.013 0.000 0.868 1285 E CB -0.238 29.452 29.700 -0.017 0.000 0.828 1285 E HN 0.192 nan 8.360 nan 0.000 0.481 1286 T N 2.318 116.865 114.554 -0.013 0.000 2.897 1286 T HA -0.115 4.235 4.350 -0.001 0.000 0.304 1286 T C 0.807 175.507 174.700 0.001 0.000 1.051 1286 T CA 0.666 62.761 62.100 -0.007 0.000 1.132 1286 T CB 0.736 69.599 68.868 -0.009 0.000 1.066 1286 T HN 0.231 nan 8.240 nan 0.000 0.518 1287 E N 1.810 122.011 120.200 0.001 0.000 2.041 1287 E HA -0.262 4.087 4.350 -0.001 0.000 0.227 1287 E C 2.002 178.607 176.600 0.008 0.000 1.039 1287 E CA 2.103 58.506 56.400 0.004 0.000 0.904 1287 E CB -0.100 29.602 29.700 0.002 0.000 0.808 1287 E HN 0.758 nan 8.360 nan 0.000 0.510 1288 E N 0.587 120.793 120.200 0.010 0.000 1.995 1288 E HA -0.161 4.188 4.350 -0.001 0.000 0.207 1288 E C -0.034 176.578 176.600 0.019 0.000 1.016 1288 E CA 1.330 57.738 56.400 0.014 0.000 0.865 1288 E CB 0.101 29.810 29.700 0.014 0.000 0.797 1288 E HN 0.052 nan 8.360 nan 0.000 0.491 1289 K N 0.576 120.992 120.400 0.026 0.000 2.221 1289 K HA 0.361 4.681 4.320 -0.001 0.000 0.258 1289 K C -0.413 176.215 176.600 0.046 0.000 0.944 1289 K CA -0.503 55.805 56.287 0.036 0.000 0.823 1289 K CB 1.956 34.481 32.500 0.042 0.000 1.113 1289 K HN 0.088 nan 8.250 nan 0.000 0.431 1290 L N 0.861 122.114 121.223 0.050 0.000 2.470 1290 L HA 0.250 4.589 4.340 -0.001 0.000 0.243 1290 L C 0.007 176.941 176.870 0.107 0.000 1.227 1290 L CA 0.044 54.921 54.840 0.061 0.000 0.824 1290 L CB 0.755 42.845 42.059 0.051 0.000 1.175 1290 L HN 0.636 nan 8.230 nan 0.000 0.503 1291 S N -0.529 115.258 115.700 0.145 0.000 2.605 1291 S HA 0.326 4.795 4.470 -0.001 0.000 0.279 1291 S C -1.015 173.799 174.600 0.356 0.000 1.166 1291 S CA -0.784 57.587 58.200 0.284 0.000 0.975 1291 S CB 1.682 65.151 63.200 0.448 0.000 1.111 1291 S HN 0.345 nan 8.310 nan 0.000 0.465 1292 V N 1.123 121.227 119.914 0.316 0.000 2.370 1292 V HA 0.760 4.879 4.120 -0.001 0.000 0.279 1292 V C -1.022 175.280 176.094 0.346 0.000 1.029 1292 V CA -0.473 62.001 62.300 0.290 0.000 0.870 1292 V CB 0.014 31.922 31.823 0.142 0.000 0.984 1292 V HN 0.636 nan 8.190 nan 0.000 0.451 1293 F N 3.159 123.125 119.950 0.026 0.000 2.482 1293 F HA 0.654 5.180 4.527 -0.000 0.000 0.331 1293 F C 0.154 175.928 175.800 -0.044 0.000 1.115 1293 F CA -1.181 56.803 58.000 -0.027 0.000 0.955 1293 F CB 2.340 41.291 39.000 -0.081 0.000 1.136 1293 F HN 0.406 nan 8.300 nan 0.000 0.452 1294 V N 3.535 123.463 119.914 0.023 0.000 2.353 1294 V HA 0.442 4.561 4.120 -0.001 0.000 0.264 1294 V C -0.137 175.867 176.094 -0.151 0.000 1.049 1294 V CA -0.450 61.812 62.300 -0.063 0.000 0.896 1294 V CB 0.257 32.037 31.823 -0.071 0.000 1.025 1294 V HN 0.716 nan 8.190 nan 0.000 0.475 1295 E N 3.800 123.942 120.200 -0.097 0.000 2.410 1295 E HA 0.749 5.098 4.350 -0.001 0.000 0.269 1295 E C -1.131 175.426 176.600 -0.070 0.000 0.937 1295 E CA -0.816 55.523 56.400 -0.102 0.000 0.793 1295 E CB 2.455 32.152 29.700 -0.005 0.000 1.314 1295 E HN 0.441 nan 8.360 nan 0.000 0.447 1296 S N 0.148 115.837 115.700 -0.018 0.000 2.651 1296 S HA 0.289 4.758 4.470 -0.001 0.000 0.279 1296 S C 0.202 174.847 174.600 0.075 0.000 1.148 1296 S CA -0.789 57.442 58.200 0.051 0.000 0.837 1296 S CB 1.450 64.722 63.200 0.121 0.000 1.138 1296 S HN 0.577 nan 8.310 nan 0.000 0.478 1297 E N 0.444 120.686 120.200 0.069 0.000 2.515 1297 E HA 0.015 4.364 4.350 -0.001 0.000 0.201 1297 E C 1.458 178.107 176.600 0.081 0.000 1.071 1297 E CA 0.485 56.920 56.400 0.059 0.000 0.880 1297 E CB -0.134 29.591 29.700 0.042 0.000 0.828 1297 E HN 0.741 nan 8.360 nan 0.000 0.540 1298 G N 0.799 109.679 108.800 0.132 0.000 2.662 1298 G HA2 0.153 4.113 3.960 -0.001 0.000 0.207 1298 G HA3 0.153 4.113 3.960 -0.001 0.000 0.207 1298 G C 0.312 175.374 174.900 0.270 0.000 1.154 1298 G CA -0.003 45.190 45.100 0.154 0.000 0.837 1298 G HN 0.277 nan 8.290 nan 0.000 0.580 1299 F N -0.673 119.276 119.950 -0.001 0.000 2.678 1299 F HA 0.746 5.273 4.527 -0.001 0.000 0.308 1299 F C -1.306 174.497 175.800 0.005 0.000 1.118 1299 F CA -1.257 56.743 58.000 -0.001 0.000 0.959 1299 F CB 1.488 40.478 39.000 -0.017 0.000 1.305 1299 F HN -0.098 nan 8.300 nan 0.000 0.443 1300 S N 1.579 117.170 115.700 -0.181 0.000 2.503 1300 S HA 0.479 4.948 4.470 -0.001 0.000 0.301 1300 S C -1.076 173.245 174.600 -0.465 0.000 1.087 1300 S CA -0.844 57.184 58.200 -0.286 0.000 1.042 1300 S CB 1.765 65.058 63.200 0.156 0.000 1.043 1300 S HN 0.561 nan 8.310 nan 0.000 0.489 1301 K N 2.833 122.852 120.400 -0.635 0.000 2.257 1301 K HA 0.136 4.455 4.320 -0.001 0.000 0.270 1301 K C 0.017 175.827 176.600 -1.316 0.000 1.098 1301 K CA -0.359 55.433 56.287 -0.824 0.000 0.943 1301 K CB 0.178 32.241 32.500 -0.728 0.000 1.316 1301 K HN 0.605 nan 8.250 nan 0.000 0.447 1302 E N 3.604 123.069 120.200 -1.225 0.000 2.558 1302 E HA -0.141 4.208 4.350 -0.001 0.000 0.255 1302 E C -1.056 174.744 176.600 -1.334 0.000 0.968 1302 E CA 0.647 56.051 56.400 -1.661 0.000 0.939 1302 E CB 0.322 29.620 29.700 -0.669 0.000 0.921 1302 E HN 0.503 nan 8.360 nan 0.000 0.477 1303 Y N 3.984 123.792 120.300 -0.820 0.000 2.426 1303 Y HA 0.228 4.777 4.550 -0.001 0.000 0.325 1303 Y C 0.059 175.863 175.900 -0.160 0.000 0.989 1303 Y CA -1.055 56.836 58.100 -0.348 0.000 1.284 1303 Y CB 1.371 39.668 38.460 -0.272 0.000 1.104 1303 Y HN 0.274 nan 8.280 nan 0.000 0.481 1304 K N 4.720 125.156 120.400 0.059 0.000 2.382 1304 K HA 0.212 4.532 4.320 -0.001 0.000 0.286 1304 K C -0.645 175.997 176.600 0.070 0.000 1.062 1304 K CA 0.234 56.563 56.287 0.069 0.000 1.000 1304 K CB 0.483 33.010 32.500 0.045 0.000 0.954 1304 K HN 0.586 nan 8.250 nan 0.000 0.470 1305 L N 6.823 128.090 121.223 0.074 0.000 2.387 1305 L HA 0.278 4.618 4.340 -0.001 0.000 0.259 1305 L C -2.186 174.710 176.870 0.043 0.000 1.050 1305 L CA -2.147 52.724 54.840 0.051 0.000 0.922 1305 L CB 1.118 43.209 42.059 0.054 0.000 1.280 1305 L HN 0.339 nan 8.230 nan 0.000 0.449 1306 P HA -0.019 nan 4.420 nan 0.000 0.273 1306 P C 0.618 177.933 177.300 0.023 0.000 1.252 1306 P CA 0.013 63.129 63.100 0.028 0.000 0.809 1306 P CB 0.685 32.398 31.700 0.022 0.000 1.017 1307 K N 0.401 120.813 120.400 0.020 0.000 2.059 1307 K HA -0.246 4.073 4.320 -0.001 0.000 0.212 1307 K C 1.662 178.271 176.600 0.015 0.000 1.050 1307 K CA 2.021 58.318 56.287 0.017 0.000 0.927 1307 K CB -0.427 32.081 32.500 0.014 0.000 0.714 1307 K HN 0.443 nan 8.250 nan 0.000 0.447 1308 E N 0.554 120.762 120.200 0.013 0.000 2.268 1308 E HA -0.022 4.328 4.350 -0.001 0.000 0.195 1308 E C 0.296 176.902 176.600 0.011 0.000 0.995 1308 E CA 0.578 56.985 56.400 0.011 0.000 0.836 1308 E CB 0.070 29.777 29.700 0.011 0.000 0.763 1308 E HN 0.321 nan 8.360 nan 0.000 0.491 1309 A N 1.697 124.523 122.820 0.011 0.000 2.316 1309 A HA 0.455 4.774 4.320 -0.001 0.000 0.284 1309 A C -0.066 177.523 177.584 0.010 0.000 1.115 1309 A CA -0.575 51.467 52.037 0.008 0.000 0.812 1309 A CB 0.347 19.350 19.000 0.005 0.000 1.064 1309 A HN 0.195 nan 8.150 nan 0.000 0.489 1310 R N 1.425 121.929 120.500 0.007 0.000 2.387 1310 R HA 0.617 4.956 4.340 -0.001 0.000 0.314 1310 R C -1.554 174.749 176.300 0.005 0.000 0.958 1310 R CA -0.668 55.436 56.100 0.008 0.000 0.846 1310 R CB 0.647 30.951 30.300 0.008 0.000 1.147 1310 R HN 0.471 nan 8.270 nan 0.000 0.447 1311 L N 1.705 122.934 121.223 0.009 0.000 2.307 1311 L HA 0.429 4.769 4.340 -0.001 0.000 0.284 1311 L C 0.236 177.111 176.870 0.009 0.000 1.023 1311 L CA -0.608 54.237 54.840 0.008 0.000 0.810 1311 L CB 1.329 43.399 42.059 0.019 0.000 1.231 1311 L HN 0.740 nan 8.230 nan 0.000 0.423 1312 L N 1.755 122.982 121.223 0.006 0.000 2.609 1312 L HA 0.325 4.664 4.340 -0.001 0.000 0.230 1312 L C 0.660 177.537 176.870 0.012 0.000 1.087 1312 L CA -0.058 54.788 54.840 0.010 0.000 0.874 1312 L CB 1.132 43.197 42.059 0.009 0.000 1.114 1312 L HN 0.607 nan 8.230 nan 0.000 0.488 1313 V N 2.502 122.422 119.914 0.011 0.000 2.585 1313 V HA 0.022 4.141 4.120 -0.001 0.000 0.296 1313 V C 0.174 176.280 176.094 0.020 0.000 1.035 1313 V CA -0.113 62.196 62.300 0.015 0.000 1.084 1313 V CB 0.856 32.684 31.823 0.008 0.000 0.953 1313 V HN 0.341 nan 8.190 nan 0.000 0.483 1314 K N 3.670 124.083 120.400 0.022 0.000 2.211 1314 K HA 0.550 4.869 4.320 -0.001 0.000 0.237 1314 K C -0.644 175.968 176.600 0.020 0.000 1.002 1314 K CA -0.827 55.472 56.287 0.020 0.000 0.885 1314 K CB 1.014 33.525 32.500 0.018 0.000 1.136 1314 K HN 0.545 nan 8.250 nan 0.000 0.448 1315 D N 0.710 121.120 120.400 0.015 0.000 2.422 1315 D HA 0.174 4.813 4.640 -0.001 0.000 0.283 1315 D C 0.714 177.021 176.300 0.013 0.000 1.428 1315 D CA 1.203 55.209 54.000 0.010 0.000 1.117 1315 D CB 0.214 41.016 40.800 0.003 0.000 1.120 1315 D HN 0.880 nan 8.370 nan 0.000 0.543 1316 G N 1.843 110.653 108.800 0.018 0.000 4.332 1316 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.198 1316 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.198 1316 G C -0.214 174.708 174.900 0.037 0.000 1.460 1316 G CA -0.470 44.644 45.100 0.023 0.000 0.900 1316 G HN 0.471 nan 8.290 nan 0.000 0.325 1317 D N -0.659 119.770 120.400 0.047 0.000 2.449 1317 D HA 0.537 5.177 4.640 -0.001 0.000 0.250 1317 D C -0.495 175.860 176.300 0.092 0.000 1.050 1317 D CA -0.629 53.421 54.000 0.083 0.000 1.024 1317 D CB 1.710 42.564 40.800 0.090 0.000 1.218 1317 D HN 0.042 nan 8.370 nan 0.000 0.566 1318 Y N 0.549 120.855 120.300 0.009 0.000 2.890 1318 Y HA 0.111 4.660 4.550 -0.001 0.000 0.341 1318 Y C -0.073 175.831 175.900 0.007 0.000 1.269 1318 Y CA 0.585 58.690 58.100 0.009 0.000 1.517 1318 Y CB 0.298 38.762 38.460 0.007 0.000 1.314 1318 Y HN 0.024 nan 8.280 nan 0.000 0.622 1319 V N 3.828 123.497 119.914 -0.409 0.000 2.555 1319 V HA 0.341 4.461 4.120 -0.001 0.000 0.283 1319 V C -0.537 175.327 176.094 -0.382 0.000 1.020 1319 V CA -1.255 60.915 62.300 -0.217 0.000 0.883 1319 V CB 0.941 32.677 31.823 -0.145 0.000 1.030 1319 V HN 0.818 nan 8.190 nan 0.000 0.448 1320 E N 3.053 123.240 120.200 -0.022 0.000 2.428 1320 E HA 0.572 4.921 4.350 -0.001 0.000 0.257 1320 E C 0.843 177.436 176.600 -0.013 0.000 1.197 1320 E CA 0.332 56.794 56.400 0.104 0.000 0.974 1320 E CB 0.992 30.860 29.700 0.280 0.000 0.976 1320 E HN 1.184 nan 8.360 nan 0.000 0.463 1321 A N 1.391 124.216 122.820 0.009 0.000 2.520 1321 A HA 0.391 4.710 4.320 -0.001 0.000 0.245 1321 A C 1.067 178.635 177.584 -0.027 0.000 1.072 1321 A CA 0.558 52.587 52.037 -0.014 0.000 0.761 1321 A CB -0.609 18.396 19.000 0.009 0.000 1.004 1321 A HN 0.952 nan 8.150 nan 0.000 0.499 1322 G N 0.969 109.734 108.800 -0.059 0.000 2.153 1322 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.252 1322 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.252 1322 G C 0.250 175.087 174.900 -0.104 0.000 0.994 1322 G CA 0.754 45.799 45.100 -0.092 0.000 0.698 1322 G HN 1.151 nan 8.290 nan 0.000 0.521 1323 Q N 0.451 120.201 119.800 -0.082 0.000 2.354 1323 Q HA 0.532 4.871 4.340 -0.001 0.000 0.244 1323 Q C -2.244 173.698 176.000 -0.096 0.000 0.969 1323 Q CA -1.625 54.139 55.803 -0.065 0.000 0.885 1323 Q CB 0.874 29.594 28.738 -0.029 0.000 1.241 1323 Q HN 0.188 nan 8.270 nan 0.000 0.461 1324 P HA -0.022 nan 4.420 nan 0.000 0.265 1324 P C -0.704 176.547 177.300 -0.081 0.000 1.222 1324 P CA 0.304 63.353 63.100 -0.085 0.000 0.767 1324 P CB 0.636 32.307 31.700 -0.049 0.000 0.801 1325 L N 2.721 123.871 121.223 -0.121 0.000 2.575 1325 L HA 0.191 4.530 4.340 -0.001 0.000 0.228 1325 L C 0.815 177.642 176.870 -0.072 0.000 1.075 1325 L CA 1.366 56.146 54.840 -0.100 0.000 0.867 1325 L CB 0.237 42.198 42.059 -0.165 0.000 1.097 1325 L HN 0.291 nan 8.230 nan 0.000 0.485 1326 T N -1.263 113.237 114.554 -0.090 0.000 2.905 1326 T HA 0.471 4.820 4.350 -0.001 0.000 0.283 1326 T C -0.507 174.167 174.700 -0.042 0.000 1.031 1326 T CA -0.584 61.481 62.100 -0.059 0.000 1.002 1326 T CB 1.960 70.784 68.868 -0.074 0.000 1.200 1326 T HN -0.128 nan 8.240 nan 0.000 0.560 1327 R N -0.497 119.989 120.500 -0.024 0.000 2.445 1327 R HA 0.638 4.977 4.340 -0.001 0.000 0.308 1327 R C 0.441 176.736 176.300 -0.007 0.000 0.961 1327 R CA 0.508 56.600 56.100 -0.012 0.000 0.862 1327 R CB 1.133 31.432 30.300 -0.001 0.000 1.144 1327 R HN 0.993 nan 8.270 nan 0.000 0.447 1328 G N 1.629 110.429 108.800 0.000 0.000 2.254 1328 G HA2 0.076 4.035 3.960 -0.001 0.000 0.193 1328 G HA3 0.076 4.035 3.960 -0.001 0.000 0.193 1328 G C -1.293 173.620 174.900 0.021 0.000 1.233 1328 G CA -0.344 44.763 45.100 0.013 0.000 1.290 1328 G HN 0.781 nan 8.290 nan 0.000 0.517 1329 A N -0.204 122.629 122.820 0.021 0.000 2.293 1329 A HA 0.834 5.153 4.320 -0.001 0.000 0.302 1329 A C -0.104 177.467 177.584 -0.022 0.000 1.119 1329 A CA -0.133 51.925 52.037 0.035 0.000 0.823 1329 A CB 0.426 19.456 19.000 0.051 0.000 1.097 1329 A HN 1.071 nan 8.150 nan 0.000 0.491 1330 I N 0.521 121.058 120.570 -0.056 0.000 2.646 1330 I HA 0.260 4.430 4.170 -0.001 0.000 0.299 1330 I C -0.674 175.357 176.117 -0.144 0.000 1.036 1330 I CA -0.692 60.511 61.300 -0.162 0.000 1.074 1330 I CB 2.102 39.898 38.000 -0.341 0.000 1.258 1330 I HN 0.608 nan 8.210 nan 0.000 0.430 1331 D N 6.237 126.557 120.400 -0.133 0.000 2.280 1331 D HA 0.230 4.870 4.640 -0.001 0.000 0.243 1331 D C -1.917 174.294 176.300 -0.148 0.000 1.129 1331 D CA -1.895 52.044 54.000 -0.102 0.000 0.848 1331 D CB 2.134 42.910 40.800 -0.040 0.000 1.107 1331 D HN 0.147 nan 8.370 nan 0.000 0.471 1332 P HA -0.201 nan 4.420 nan 0.000 0.214 1332 P C 1.225 178.442 177.300 -0.139 0.000 1.169 1332 P CA 1.343 64.329 63.100 -0.191 0.000 0.908 1332 P CB 0.097 31.656 31.700 -0.235 0.000 0.791 1333 H N -0.544 118.515 119.070 -0.020 0.000 2.321 1333 H HA -0.189 4.366 4.556 -0.001 0.000 0.295 1333 H C 2.099 177.410 175.328 -0.029 0.000 1.102 1333 H CA 1.649 57.687 56.048 -0.016 0.000 1.266 1333 H CB -0.937 28.820 29.762 -0.009 0.000 1.363 1333 H HN 0.326 nan 8.280 nan 0.000 0.492 1334 Q N -0.018 119.827 119.800 0.075 0.000 2.046 1334 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 1334 Q C 2.628 178.610 176.000 -0.031 0.000 0.975 1334 Q CA 0.970 56.780 55.803 0.011 0.000 0.836 1334 Q CB -0.130 28.591 28.738 -0.029 0.000 0.896 1334 Q HN 0.279 nan 8.270 nan 0.000 0.428 1335 L N 0.539 121.715 121.223 -0.077 0.000 2.083 1335 L HA -0.187 4.152 4.340 -0.001 0.000 0.209 1335 L C 2.202 179.042 176.870 -0.050 0.000 1.083 1335 L CA 1.028 55.810 54.840 -0.098 0.000 0.752 1335 L CB -0.212 41.740 42.059 -0.178 0.000 0.899 1335 L HN 0.266 nan 8.230 nan 0.000 0.433 1336 L N -0.470 120.738 121.223 -0.024 0.000 2.017 1336 L HA -0.255 4.084 4.340 -0.001 0.000 0.208 1336 L C 2.485 179.356 176.870 0.000 0.000 1.073 1336 L CA 2.068 56.908 54.840 -0.000 0.000 0.745 1336 L CB -0.386 41.691 42.059 0.030 0.000 0.894 1336 L HN 0.411 nan 8.230 nan 0.000 0.432 1337 E N -0.515 119.690 120.200 0.009 0.000 2.051 1337 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 1337 E C 2.000 178.601 176.600 0.000 0.000 0.991 1337 E CA 1.294 57.697 56.400 0.006 0.000 0.799 1337 E CB -0.147 29.564 29.700 0.017 0.000 0.748 1337 E HN 0.663 nan 8.360 nan 0.000 0.449 1338 A N 0.764 123.582 122.820 -0.004 0.000 1.843 1338 A HA -0.076 4.243 4.320 -0.001 0.000 0.213 1338 A C 2.061 179.642 177.584 -0.005 0.000 1.202 1338 A CA 1.444 53.479 52.037 -0.002 0.000 0.607 1338 A CB -0.221 18.769 19.000 -0.016 0.000 0.847 1338 A HN 0.106 nan 8.150 nan 0.000 0.445 1339 K N -1.422 118.968 120.400 -0.016 0.000 2.374 1339 K HA 0.352 4.671 4.320 -0.001 0.000 0.196 1339 K C 0.452 177.047 176.600 -0.010 0.000 1.023 1339 K CA 0.646 56.928 56.287 -0.010 0.000 1.103 1339 K CB 0.125 32.615 32.500 -0.016 0.000 0.848 1339 K HN 0.819 nan 8.250 nan 0.000 0.528 1340 G N 0.268 109.060 108.800 -0.013 0.000 2.661 1340 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.685 1340 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.685 1340 G C -2.517 172.378 174.900 -0.007 0.000 1.298 1340 G CA -0.637 44.454 45.100 -0.015 0.000 0.855 1340 G HN -0.072 nan 8.290 nan 0.000 0.560 1341 P HA 0.039 nan 4.420 nan 0.000 0.214 1341 P C 1.626 178.930 177.300 0.006 0.000 1.162 1341 P CA 1.825 64.930 63.100 0.008 0.000 0.874 1341 P CB 0.006 31.716 31.700 0.016 0.000 0.784 1342 E N 0.212 120.409 120.200 -0.004 0.000 2.136 1342 E HA -0.245 4.104 4.350 -0.001 0.000 0.202 1342 E C 2.026 178.628 176.600 0.002 0.000 1.019 1342 E CA 2.050 58.444 56.400 -0.011 0.000 0.819 1342 E CB -1.571 28.113 29.700 -0.025 0.000 0.739 1342 E HN 0.224 nan 8.360 nan 0.000 0.458 1343 A N 0.526 123.352 122.820 0.010 0.000 1.854 1343 A HA -0.111 4.209 4.320 -0.001 0.000 0.214 1343 A C 2.528 180.148 177.584 0.061 0.000 1.192 1343 A CA 1.460 53.514 52.037 0.027 0.000 0.611 1343 A CB -0.793 18.214 19.000 0.011 0.000 0.832 1343 A HN 0.130 nan 8.150 nan 0.000 0.442 1344 V N 0.112 120.053 119.914 0.045 0.000 2.219 1344 V HA -0.353 3.766 4.120 -0.001 0.000 0.248 1344 V C 2.492 178.643 176.094 0.095 0.000 1.053 1344 V CA 2.640 64.987 62.300 0.077 0.000 1.009 1344 V CB -1.086 30.756 31.823 0.032 0.000 0.636 1344 V HN 0.738 nan 8.190 nan 0.000 0.445 1345 E N 0.021 120.242 120.200 0.034 0.000 2.068 1345 E HA -0.323 4.027 4.350 -0.001 0.000 0.207 1345 E C 2.324 178.922 176.600 -0.003 0.000 1.032 1345 E CA 2.115 58.514 56.400 -0.002 0.000 0.839 1345 E CB -0.216 29.477 29.700 -0.013 0.000 0.758 1345 E HN 0.317 nan 8.360 nan 0.000 0.457 1346 R N -0.875 119.636 120.500 0.018 0.000 2.103 1346 R HA -0.179 4.160 4.340 -0.001 0.000 0.242 1346 R C 2.237 178.553 176.300 0.028 0.000 1.142 1346 R CA 1.796 57.906 56.100 0.017 0.000 0.960 1346 R CB -0.935 29.383 30.300 0.031 0.000 0.858 1346 R HN 0.433 nan 8.270 nan 0.000 0.439 1347 Y N 0.133 120.416 120.300 -0.029 0.000 2.133 1347 Y HA -0.181 4.369 4.550 -0.001 0.000 0.287 1347 Y C 1.662 177.544 175.900 -0.029 0.000 1.134 1347 Y CA 1.385 59.471 58.100 -0.024 0.000 1.133 1347 Y CB -0.316 38.128 38.460 -0.027 0.000 0.987 1347 Y HN -0.073 nan 8.280 nan 0.000 0.502 1348 L N -0.282 120.823 121.223 -0.196 0.000 1.971 1348 L HA -0.251 4.089 4.340 -0.001 0.000 0.215 1348 L C 2.542 179.234 176.870 -0.297 0.000 1.072 1348 L CA 1.931 56.594 54.840 -0.295 0.000 0.758 1348 L CB -1.759 40.214 42.059 -0.143 0.000 0.889 1348 L HN 0.253 nan 8.230 nan 0.000 0.433 1349 V N 0.093 119.891 119.914 -0.193 0.000 2.220 1349 V HA -0.375 3.745 4.120 -0.001 0.000 0.250 1349 V C 2.500 178.503 176.094 -0.153 0.000 1.053 1349 V CA 2.297 64.508 62.300 -0.148 0.000 1.019 1349 V CB -0.775 30.992 31.823 -0.094 0.000 0.646 1349 V HN 0.421 nan 8.190 nan 0.000 0.455 1350 E N -0.540 119.569 120.200 -0.151 0.000 2.085 1350 E HA -0.282 4.067 4.350 -0.001 0.000 0.194 1350 E C 2.214 178.710 176.600 -0.174 0.000 0.994 1350 E CA 1.462 57.786 56.400 -0.127 0.000 0.801 1350 E CB -0.179 29.471 29.700 -0.084 0.000 0.743 1350 E HN 0.651 nan 8.360 nan 0.000 0.453 1351 E N 0.532 120.518 120.200 -0.357 0.000 2.204 1351 E HA -0.145 4.204 4.350 -0.001 0.000 0.195 1351 E C 1.608 178.116 176.600 -0.154 0.000 0.990 1351 E CA 0.883 57.066 56.400 -0.362 0.000 0.821 1351 E CB -0.066 29.121 29.700 -0.855 0.000 0.750 1351 E HN 0.313 nan 8.360 nan 0.000 0.477 1352 I N 0.083 120.578 120.570 -0.124 0.000 2.277 1352 I HA -0.199 3.971 4.170 -0.001 0.000 0.243 1352 I C 2.451 178.578 176.117 0.016 0.000 1.094 1352 I CA 0.828 62.133 61.300 0.008 0.000 1.393 1352 I CB -0.261 37.751 38.000 0.021 0.000 1.078 1352 I HN 0.139 nan 8.210 nan 0.000 0.417 1353 Q N 0.792 120.564 119.800 -0.047 0.000 2.170 1353 Q HA -0.189 4.151 4.340 -0.001 0.000 0.203 1353 Q C 2.138 178.183 176.000 0.075 0.000 0.976 1353 Q CA 0.997 56.792 55.803 -0.014 0.000 0.858 1353 Q CB -0.041 28.675 28.738 -0.037 0.000 0.907 1353 Q HN 0.376 nan 8.270 nan 0.000 0.433 1354 K N 0.221 120.647 120.400 0.043 0.000 2.059 1354 K HA -0.163 4.156 4.320 -0.001 0.000 0.212 1354 K C 2.127 178.785 176.600 0.097 0.000 1.050 1354 K CA 1.089 57.407 56.287 0.053 0.000 0.927 1354 K CB -0.757 31.759 32.500 0.027 0.000 0.714 1354 K HN 0.108 nan 8.250 nan 0.000 0.447 1355 V N 0.465 120.470 119.914 0.152 0.000 2.261 1355 V HA -0.254 3.866 4.120 -0.001 0.000 0.246 1355 V C 2.229 178.421 176.094 0.164 0.000 1.047 1355 V CA 1.725 64.121 62.300 0.161 0.000 1.015 1355 V CB -0.611 31.340 31.823 0.215 0.000 0.642 1355 V HN 0.152 nan 8.190 nan 0.000 0.446 1356 Y N 0.684 120.993 120.300 0.014 0.000 2.200 1356 Y HA -0.162 4.387 4.550 -0.001 0.000 0.290 1356 Y C 2.636 178.540 175.900 0.007 0.000 1.137 1356 Y CA 1.413 59.520 58.100 0.012 0.000 1.163 1356 Y CB -0.598 37.876 38.460 0.023 0.000 0.988 1356 Y HN 0.166 nan 8.280 nan 0.000 0.518 1357 R N -0.093 120.512 120.500 0.176 0.000 2.070 1357 R HA -0.113 4.227 4.340 -0.001 0.000 0.233 1357 R C 2.375 178.705 176.300 0.051 0.000 1.137 1357 R CA 1.318 57.471 56.100 0.088 0.000 0.945 1357 R CB -0.809 29.525 30.300 0.057 0.000 0.845 1357 R HN 0.237 nan 8.270 nan 0.000 0.430 1358 A N 0.312 123.159 122.820 0.046 0.000 2.259 1358 A HA -0.118 4.201 4.320 -0.001 0.000 0.212 1358 A C 1.599 179.186 177.584 0.005 0.000 1.178 1358 A CA 1.020 53.070 52.037 0.022 0.000 0.734 1358 A CB 0.021 19.036 19.000 0.025 0.000 0.774 1358 A HN 0.163 nan 8.150 nan 0.000 0.481 1359 Q N -2.056 117.743 119.800 -0.002 0.000 2.093 1359 Q HA 0.267 4.606 4.340 -0.001 0.000 0.217 1359 Q C 0.956 176.940 176.000 -0.026 0.000 0.785 1359 Q CA 0.729 56.513 55.803 -0.032 0.000 1.038 1359 Q CB 0.500 29.192 28.738 -0.078 0.000 1.190 1359 Q HN 0.897 nan 8.270 nan 0.000 0.468 1360 G N -0.033 108.767 108.800 -0.000 0.000 2.284 1360 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.230 1360 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.230 1360 G C 0.158 175.073 174.900 0.025 0.000 1.021 1360 G CA 0.203 45.306 45.100 0.006 0.000 0.619 1360 G HN 0.206 nan 8.290 nan 0.000 0.510 1361 V N 1.746 121.684 119.914 0.040 0.000 2.614 1361 V HA 0.403 4.522 4.120 -0.001 0.000 0.291 1361 V C 0.732 176.899 176.094 0.122 0.000 1.049 1361 V CA 0.400 62.753 62.300 0.089 0.000 1.038 1361 V CB 1.550 33.452 31.823 0.131 0.000 0.980 1361 V HN 0.272 nan 8.190 nan 0.000 0.481 1362 K N 5.070 125.529 120.400 0.099 0.000 2.533 1362 K HA 0.374 4.693 4.320 -0.001 0.000 0.207 1362 K C -1.064 175.600 176.600 0.105 0.000 1.052 1362 K CA -0.600 55.734 56.287 0.079 0.000 1.030 1362 K CB 0.640 33.161 32.500 0.034 0.000 1.522 1362 K HN 0.537 nan 8.250 nan 0.000 0.543 1363 L N -0.825 120.476 121.223 0.130 0.000 2.325 1363 L HA 0.439 4.778 4.340 -0.001 0.000 0.279 1363 L C 0.227 177.207 176.870 0.183 0.000 1.054 1363 L CA -0.593 54.345 54.840 0.164 0.000 0.804 1363 L CB 0.380 42.518 42.059 0.131 0.000 1.200 1363 L HN 0.265 nan 8.230 nan 0.000 0.436 1364 H N 1.645 120.838 119.070 0.205 0.000 2.848 1364 H HA 0.043 4.598 4.556 -0.001 0.000 0.341 1364 H C -0.018 175.355 175.328 0.074 0.000 1.060 1364 H CA 0.436 56.565 56.048 0.135 0.000 1.444 1364 H CB 1.044 30.873 29.762 0.111 0.000 1.446 1364 H HN 0.830 nan 8.280 nan 0.000 0.583 1365 D N 4.430 124.894 120.400 0.106 0.000 2.158 1365 D HA -0.168 4.471 4.640 -0.001 0.000 0.197 1365 D C 1.884 178.271 176.300 0.145 0.000 0.995 1365 D CA 1.301 55.355 54.000 0.090 0.000 0.846 1365 D CB 0.157 40.953 40.800 -0.008 0.000 0.941 1365 D HN 0.565 nan 8.370 nan 0.000 0.456 1366 K N -0.237 120.318 120.400 0.259 0.000 2.066 1366 K HA -0.265 4.054 4.320 -0.001 0.000 0.221 1366 K C 2.089 178.647 176.600 -0.070 0.000 1.056 1366 K CA 1.747 57.964 56.287 -0.117 0.000 0.950 1366 K CB -0.302 31.802 32.500 -0.660 0.000 0.726 1366 K HN 0.402 nan 8.250 nan 0.000 0.456 1367 H N 0.323 119.470 119.070 0.128 0.000 2.289 1367 H HA -0.135 4.420 4.556 -0.001 0.000 0.296 1367 H C 2.292 177.664 175.328 0.073 0.000 1.091 1367 H CA 1.814 57.932 56.048 0.116 0.000 1.274 1367 H CB -0.540 29.291 29.762 0.116 0.000 1.364 1367 H HN 0.253 nan 8.280 nan 0.000 0.490 1368 I N 1.007 121.673 120.570 0.161 0.000 2.335 1368 I HA -0.231 3.939 4.170 -0.001 0.000 0.251 1368 I C 2.304 178.407 176.117 -0.022 0.000 1.129 1368 I CA 1.224 62.553 61.300 0.048 0.000 1.402 1368 I CB -0.358 37.629 38.000 -0.022 0.000 1.069 1368 I HN 0.282 nan 8.210 nan 0.000 0.424 1369 E N 1.131 121.332 120.200 0.002 0.000 2.047 1369 E HA -0.184 4.165 4.350 -0.001 0.000 0.191 1369 E C 2.352 178.947 176.600 -0.009 0.000 0.987 1369 E CA 1.152 57.540 56.400 -0.019 0.000 0.799 1369 E CB -0.065 29.630 29.700 -0.009 0.000 0.752 1369 E HN 0.372 nan 8.360 nan 0.000 0.449 1370 I N 1.362 121.952 120.570 0.033 0.000 2.113 1370 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 1370 I C 2.554 178.681 176.117 0.017 0.000 1.064 1370 I CA 1.332 62.658 61.300 0.044 0.000 1.320 1370 I CB -1.587 36.470 38.000 0.096 0.000 1.028 1370 I HN -0.003 nan 8.210 nan 0.000 0.406 1371 V N 0.532 120.456 119.914 0.017 0.000 2.229 1371 V HA -0.214 3.905 4.120 -0.001 0.000 0.243 1371 V C 2.644 178.682 176.094 -0.094 0.000 1.042 1371 V CA 1.701 63.991 62.300 -0.016 0.000 1.000 1371 V CB -1.018 30.810 31.823 0.008 0.000 0.637 1371 V HN 0.324 nan 8.190 nan 0.000 0.446 1372 V N 0.841 120.651 119.914 -0.173 0.000 2.363 1372 V HA -0.392 3.727 4.120 -0.001 0.000 0.254 1372 V C 2.718 178.757 176.094 -0.092 0.000 1.074 1372 V CA 2.939 65.127 62.300 -0.188 0.000 1.069 1372 V CB -0.632 31.076 31.823 -0.191 0.000 0.659 1372 V HN 0.629 nan 8.190 nan 0.000 0.455 1373 R N -0.748 119.717 120.500 -0.058 0.000 2.094 1373 R HA -0.232 4.108 4.340 -0.001 0.000 0.239 1373 R C 2.333 178.625 176.300 -0.012 0.000 1.137 1373 R CA 2.328 58.410 56.100 -0.031 0.000 0.943 1373 R CB -0.434 29.850 30.300 -0.027 0.000 0.850 1373 R HN 0.573 nan 8.270 nan 0.000 0.433 1374 Q N 0.078 119.871 119.800 -0.012 0.000 2.297 1374 Q HA -0.157 4.182 4.340 -0.001 0.000 0.208 1374 Q C 2.014 178.033 176.000 0.032 0.000 0.981 1374 Q CA 1.455 57.272 55.803 0.023 0.000 0.876 1374 Q CB -0.144 28.601 28.738 0.012 0.000 0.921 1374 Q HN 0.558 nan 8.270 nan 0.000 0.446 1375 M N -1.145 118.444 119.600 -0.020 0.000 2.460 1375 M HA -0.055 4.425 4.480 -0.001 0.000 0.263 1375 M C 1.029 177.338 176.300 0.016 0.000 1.071 1375 M CA 1.068 56.347 55.300 -0.035 0.000 1.096 1375 M CB 0.047 32.595 32.600 -0.085 0.000 1.408 1375 M HN 0.070 nan 8.290 nan 0.000 0.463 1376 M N -1.143 118.488 119.600 0.052 0.000 2.705 1376 M HA 0.129 4.608 4.480 -0.001 0.000 0.387 1376 M C 1.129 177.510 176.300 0.135 0.000 1.204 1376 M CA -0.009 55.347 55.300 0.095 0.000 0.905 1376 M CB 0.533 33.168 32.600 0.058 0.000 1.394 1376 M HN -0.037 nan 8.290 nan 0.000 0.515 1377 K N 0.190 120.711 120.400 0.202 0.000 2.555 1377 K HA 0.014 4.333 4.320 -0.001 0.000 0.193 1377 K C -0.815 175.850 176.600 0.107 0.000 1.032 1377 K CA 0.828 57.198 56.287 0.137 0.000 1.004 1377 K CB 0.428 33.018 32.500 0.150 0.000 0.804 1377 K HN 0.174 nan 8.250 nan 0.000 0.496 1378 Y N -0.722 119.586 120.300 0.014 0.000 2.598 1378 Y HA 0.432 4.981 4.550 -0.001 0.000 0.340 1378 Y C -0.170 175.809 175.900 0.131 0.000 1.038 1378 Y CA -1.426 56.705 58.100 0.050 0.000 1.100 1378 Y CB 2.059 40.543 38.460 0.040 0.000 1.281 1378 Y HN -0.158 nan 8.280 nan 0.000 0.488 1379 V N -1.578 118.539 119.914 0.338 0.000 3.204 1379 V HA 0.698 4.818 4.120 -0.001 0.000 0.298 1379 V C -1.086 175.223 176.094 0.359 0.000 1.328 1379 V CA -1.100 61.422 62.300 0.371 0.000 1.035 1379 V CB 1.839 33.997 31.823 0.559 0.000 1.095 1379 V HN 0.630 nan 8.190 nan 0.000 0.442 1380 E N 1.134 121.502 120.200 0.279 0.000 2.250 1380 E HA 0.762 5.111 4.350 -0.001 0.000 0.265 1380 E C -1.098 175.603 176.600 0.169 0.000 1.033 1380 E CA -0.561 55.958 56.400 0.198 0.000 0.888 1380 E CB 1.935 31.707 29.700 0.121 0.000 1.151 1380 E HN 0.819 nan 8.360 nan 0.000 0.412 1381 V N 1.991 121.949 119.914 0.074 0.000 2.680 1381 V HA 0.438 4.557 4.120 -0.001 0.000 0.309 1381 V C 0.441 176.525 176.094 -0.017 0.000 1.052 1381 V CA -0.010 62.277 62.300 -0.020 0.000 0.908 1381 V CB 1.697 33.410 31.823 -0.184 0.000 1.001 1381 V HN 0.954 nan 8.190 nan 0.000 0.431 1382 T N -2.261 112.279 114.554 -0.024 0.000 3.087 1382 T HA 0.245 4.595 4.350 -0.001 0.000 0.283 1382 T C -0.161 174.519 174.700 -0.034 0.000 0.956 1382 T CA 0.048 62.133 62.100 -0.025 0.000 0.894 1382 T CB 0.190 69.044 68.868 -0.024 0.000 1.160 1382 T HN 0.545 nan 8.240 nan 0.000 0.532 1383 D N 2.209 122.581 120.400 -0.046 0.000 2.381 1383 D HA 0.423 5.063 4.640 -0.001 0.000 0.245 1383 D C -3.042 173.211 176.300 -0.078 0.000 1.297 1383 D CA -1.687 52.286 54.000 -0.046 0.000 0.931 1383 D CB 1.822 42.607 40.800 -0.025 0.000 1.334 1383 D HN 0.036 nan 8.370 nan 0.000 0.535 1384 P HA 0.420 nan 4.420 nan 0.000 0.274 1384 P C 0.420 177.677 177.300 -0.072 0.000 1.260 1384 P CA -0.074 62.967 63.100 -0.099 0.000 0.793 1384 P CB 1.365 33.029 31.700 -0.060 0.000 1.048 1385 G N -1.080 107.677 108.800 -0.071 0.000 3.128 1385 G HA2 -0.040 3.919 3.960 -0.001 0.000 0.158 1385 G HA3 -0.040 3.919 3.960 -0.001 0.000 0.158 1385 G C 0.810 175.702 174.900 -0.013 0.000 1.289 1385 G CA 0.272 45.350 45.100 -0.038 0.000 0.829 1385 G HN 0.464 nan 8.290 nan 0.000 0.618 1386 D N 0.256 120.653 120.400 -0.006 0.000 2.149 1386 D HA 0.161 4.800 4.640 -0.001 0.000 0.206 1386 D C 0.413 176.739 176.300 0.042 0.000 0.967 1386 D CA 0.955 54.977 54.000 0.036 0.000 0.848 1386 D CB 0.586 41.435 40.800 0.082 0.000 0.998 1386 D HN 0.163 nan 8.370 nan 0.000 0.474 1387 S N -0.640 115.081 115.700 0.035 0.000 2.542 1387 S HA 0.508 4.978 4.470 -0.001 0.000 0.293 1387 S C -0.679 173.928 174.600 0.013 0.000 1.089 1387 S CA -0.667 57.563 58.200 0.051 0.000 0.961 1387 S CB 1.453 64.723 63.200 0.116 0.000 1.062 1387 S HN -0.054 nan 8.310 nan 0.000 0.483 1388 R N 1.874 122.391 120.500 0.028 0.000 2.705 1388 R HA 0.018 4.358 4.340 -0.001 0.000 0.264 1388 R C 1.228 177.532 176.300 0.005 0.000 0.988 1388 R CA 0.304 56.415 56.100 0.019 0.000 1.103 1388 R CB -0.429 29.892 30.300 0.036 0.000 0.950 1388 R HN 0.610 nan 8.270 nan 0.000 0.427 1389 L N 1.855 123.075 121.223 -0.004 0.000 1.908 1389 L HA -0.134 4.205 4.340 -0.001 0.000 0.227 1389 L C 1.070 177.944 176.870 0.008 0.000 1.087 1389 L CA 1.293 56.124 54.840 -0.015 0.000 0.797 1389 L CB -0.999 41.055 42.059 -0.008 0.000 0.893 1389 L HN 0.433 nan 8.230 nan 0.000 0.432 1390 L N 1.586 122.824 121.223 0.025 0.000 2.791 1390 L HA 0.010 4.349 4.340 -0.001 0.000 0.276 1390 L C 0.112 177.021 176.870 0.065 0.000 1.136 1390 L CA 0.569 55.434 54.840 0.041 0.000 1.008 1390 L CB -0.465 41.617 42.059 0.039 0.000 1.348 1390 L HN 0.462 nan 8.230 nan 0.000 0.476 1391 E N 2.665 122.919 120.200 0.088 0.000 2.378 1391 E HA 0.332 4.681 4.350 -0.001 0.000 0.283 1391 E C -0.997 175.718 176.600 0.192 0.000 0.979 1391 E CA -0.529 55.954 56.400 0.138 0.000 0.795 1391 E CB 2.189 31.987 29.700 0.164 0.000 1.221 1391 E HN 0.477 nan 8.360 nan 0.000 0.428 1392 G N 2.904 111.828 108.800 0.206 0.000 2.468 1392 G HA2 0.425 4.385 3.960 -0.001 0.000 0.320 1392 G HA3 0.425 4.385 3.960 -0.001 0.000 0.320 1392 G C -0.491 174.588 174.900 0.298 0.000 1.137 1392 G CA -0.164 45.088 45.100 0.253 0.000 0.984 1392 G HN 0.194 nan 8.290 nan 0.000 0.462 1393 Q N 1.493 121.520 119.800 0.380 0.000 2.484 1393 Q HA 0.362 4.702 4.340 -0.001 0.000 0.285 1393 Q C -0.288 175.601 176.000 -0.185 0.000 1.097 1393 Q CA -0.791 55.085 55.803 0.121 0.000 0.802 1393 Q CB 2.909 31.700 28.738 0.088 0.000 1.444 1393 Q HN 0.303 nan 8.270 nan 0.000 0.429 1394 V N 4.104 123.669 119.914 -0.581 0.000 2.583 1394 V HA -0.189 3.930 4.120 -0.001 0.000 0.302 1394 V C 1.889 177.607 176.094 -0.627 0.000 1.033 1394 V CA 0.790 62.659 62.300 -0.718 0.000 1.194 1394 V CB -0.584 30.860 31.823 -0.632 0.000 0.879 1394 V HN 0.755 nan 8.190 nan 0.000 0.482 1395 L N 3.480 124.487 121.223 -0.359 0.000 1.971 1395 L HA -0.121 4.218 4.340 -0.001 0.000 0.215 1395 L C 2.060 178.756 176.870 -0.291 0.000 1.072 1395 L CA 2.035 56.759 54.840 -0.194 0.000 0.758 1395 L CB -0.839 41.179 42.059 -0.068 0.000 0.889 1395 L HN 0.621 nan 8.230 nan 0.000 0.433 1396 E N 0.561 120.567 120.200 -0.324 0.000 2.153 1396 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 1396 E C 2.159 178.584 176.600 -0.293 0.000 0.988 1396 E CA 1.255 57.484 56.400 -0.284 0.000 0.811 1396 E CB -0.082 29.431 29.700 -0.311 0.000 0.746 1396 E HN 0.638 nan 8.360 nan 0.000 0.466 1397 K N -1.007 119.134 120.400 -0.431 0.000 2.360 1397 K HA -0.139 4.180 4.320 -0.001 0.000 0.201 1397 K C 1.740 178.074 176.600 -0.442 0.000 1.046 1397 K CA 0.911 56.911 56.287 -0.479 0.000 0.945 1397 K CB -0.093 32.004 32.500 -0.672 0.000 0.750 1397 K HN 0.284 nan 8.250 nan 0.000 0.464 1398 W N 0.251 121.407 121.300 -0.241 0.000 2.704 1398 W HA -0.019 4.641 4.660 -0.001 0.000 0.266 1398 W C 1.601 177.919 176.519 -0.334 0.000 1.266 1398 W CA -0.567 56.597 57.345 -0.301 0.000 1.377 1398 W CB 0.311 29.505 29.460 -0.444 0.000 1.082 1398 W HN 0.008 nan 8.180 nan 0.000 0.608 1399 D N 0.479 120.816 120.400 -0.106 0.000 2.264 1399 D HA -0.130 4.509 4.640 -0.001 0.000 0.208 1399 D C 2.054 178.314 176.300 -0.067 0.000 0.966 1399 D CA 1.108 55.025 54.000 -0.139 0.000 0.864 1399 D CB 0.219 40.930 40.800 -0.147 0.000 0.933 1399 D HN 0.045 nan 8.370 nan 0.000 0.499 1400 V N 1.029 120.914 119.914 -0.048 0.000 2.255 1400 V HA -0.146 3.973 4.120 -0.001 0.000 0.243 1400 V C 2.502 178.608 176.094 0.020 0.000 1.038 1400 V CA 1.201 63.487 62.300 -0.023 0.000 1.008 1400 V CB -0.313 31.485 31.823 -0.042 0.000 0.645 1400 V HN 0.045 nan 8.190 nan 0.000 0.449 1401 E N 0.639 120.890 120.200 0.085 0.000 2.033 1401 E HA -0.249 4.101 4.350 -0.001 0.000 0.199 1401 E C 2.365 178.996 176.600 0.051 0.000 1.011 1401 E CA 1.885 58.356 56.400 0.117 0.000 0.815 1401 E CB -0.633 29.233 29.700 0.277 0.000 0.755 1401 E HN 0.482 nan 8.360 nan 0.000 0.451 1402 A N 1.070 123.904 122.820 0.023 0.000 1.917 1402 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 1402 A C 2.515 180.096 177.584 -0.005 0.000 1.182 1402 A CA 1.528 53.556 52.037 -0.016 0.000 0.633 1402 A CB -0.852 18.103 19.000 -0.075 0.000 0.819 1402 A HN 0.291 nan 8.150 nan 0.000 0.448 1403 L N -0.900 120.318 121.223 -0.009 0.000 2.046 1403 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 1403 L C 2.039 178.911 176.870 0.004 0.000 1.077 1403 L CA 1.567 56.405 54.840 -0.004 0.000 0.747 1403 L CB -0.271 41.781 42.059 -0.012 0.000 0.896 1403 L HN 0.369 nan 8.230 nan 0.000 0.432 1404 N N -1.007 117.698 118.700 0.008 0.000 2.373 1404 N HA -0.105 4.634 4.740 -0.001 0.000 0.181 1404 N C 1.424 176.943 175.510 0.014 0.000 1.082 1404 N CA 0.399 53.456 53.050 0.011 0.000 0.885 1404 N CB 0.292 38.787 38.487 0.013 0.000 0.977 1404 N HN 0.270 nan 8.380 nan 0.000 0.462 1405 E N -0.116 120.093 120.200 0.015 0.000 2.442 1405 E HA 0.038 4.388 4.350 -0.001 0.000 0.195 1405 E C 1.748 178.355 176.600 0.012 0.000 1.030 1405 E CA 0.238 56.646 56.400 0.014 0.000 0.869 1405 E CB 0.432 30.140 29.700 0.014 0.000 0.857 1405 E HN 0.176 nan 8.360 nan 0.000 0.505 1406 R N -0.566 119.941 120.500 0.012 0.000 2.225 1406 R HA 0.043 4.382 4.340 -0.001 0.000 0.194 1406 R C 1.363 177.670 176.300 0.011 0.000 0.949 1406 R CA 0.141 56.249 56.100 0.012 0.000 1.088 1406 R CB 0.234 30.543 30.300 0.016 0.000 1.106 1406 R HN 0.078 nan 8.270 nan 0.000 0.566 1407 L N 0.718 121.947 121.223 0.010 0.000 2.187 1407 L HA 0.173 4.512 4.340 -0.001 0.000 0.197 1407 L C 2.227 179.103 176.870 0.009 0.000 1.090 1407 L CA 1.275 56.120 54.840 0.009 0.000 0.781 1407 L CB -0.524 41.540 42.059 0.008 0.000 0.956 1407 L HN 0.083 nan 8.230 nan 0.000 0.463 1408 I N -0.624 119.951 120.570 0.009 0.000 2.185 1408 I HA -0.062 4.108 4.170 -0.001 0.000 0.235 1408 I C 1.108 177.231 176.117 0.009 0.000 1.069 1408 I CA 0.578 61.883 61.300 0.008 0.000 1.354 1408 I CB -0.371 37.634 38.000 0.008 0.000 1.093 1408 I HN 0.116 nan 8.210 nan 0.000 0.411 1409 A N 1.302 124.128 122.820 0.011 0.000 2.301 1409 A HA 0.329 4.648 4.320 -0.001 0.000 0.298 1409 A C -0.099 177.491 177.584 0.010 0.000 1.185 1409 A CA -0.430 51.613 52.037 0.011 0.000 0.830 1409 A CB 0.121 19.128 19.000 0.013 0.000 1.112 1409 A HN 0.312 nan 8.150 nan 0.000 0.508 1410 E N 0.967 121.173 120.200 0.009 0.000 2.620 1410 E HA 0.501 4.850 4.350 -0.001 0.000 0.255 1410 E C 0.520 177.126 176.600 0.009 0.000 1.346 1410 E CA 0.350 56.756 56.400 0.009 0.000 1.013 1410 E CB 0.311 30.016 29.700 0.008 0.000 1.131 1410 E HN 1.504 nan 8.360 nan 0.000 0.608 1411 G N 1.153 109.958 108.800 0.008 0.000 2.929 1411 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.335 1411 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.335 1411 G C -0.504 174.400 174.900 0.008 0.000 1.054 1411 G CA -0.173 44.931 45.100 0.007 0.000 1.067 1411 G HN 0.340 nan 8.290 nan 0.000 0.472 1412 K N 2.007 122.411 120.400 0.008 0.000 2.167 1412 K HA 0.345 4.665 4.320 -0.001 0.000 0.275 1412 K C 0.365 176.969 176.600 0.007 0.000 1.103 1412 K CA -0.043 56.249 56.287 0.009 0.000 0.963 1412 K CB -0.098 32.409 32.500 0.012 0.000 1.243 1412 K HN 0.257 nan 8.250 nan 0.000 0.407 1413 T N 7.270 121.826 114.554 0.004 0.000 3.316 1413 T HA 0.190 4.539 4.350 -0.001 0.000 0.341 1413 T C -2.503 172.194 174.700 -0.004 0.000 1.397 1413 T CA -1.523 60.576 62.100 -0.002 0.000 1.085 1413 T CB 0.445 69.309 68.868 -0.007 0.000 1.160 1413 T HN 0.452 nan 8.240 nan 0.000 0.694 1414 P HA 0.029 nan 4.420 nan 0.000 0.260 1414 P C 0.136 177.444 177.300 0.013 0.000 1.185 1414 P CA -0.213 62.904 63.100 0.028 0.000 0.763 1414 P CB 0.141 31.865 31.700 0.040 0.000 0.776 1415 V N 0.961 120.878 119.914 0.005 0.000 2.222 1415 V HA 0.553 4.672 4.120 -0.001 0.000 0.253 1415 V C 0.547 176.707 176.094 0.109 0.000 1.210 1415 V CA -1.209 61.053 62.300 -0.063 0.000 1.079 1415 V CB -0.436 31.251 31.823 -0.225 0.000 1.265 1415 V HN 0.559 nan 8.190 nan 0.000 0.494 1416 A N 6.505 129.397 122.820 0.120 0.000 2.484 1416 A HA 0.533 4.852 4.320 -0.001 0.000 0.268 1416 A C -0.076 177.634 177.584 0.209 0.000 1.114 1416 A CA -0.314 51.835 52.037 0.186 0.000 0.780 1416 A CB -0.311 18.709 19.000 0.032 0.000 1.061 1416 A HN 1.269 nan 8.150 nan 0.000 0.505 1417 W N 2.121 123.358 121.300 -0.105 0.000 2.869 1417 W HA 0.808 5.467 4.660 -0.001 0.000 0.345 1417 W C -0.840 175.662 176.519 -0.029 0.000 1.191 1417 W CA -1.122 56.171 57.345 -0.088 0.000 1.104 1417 W CB 1.288 30.702 29.460 -0.077 0.000 1.471 1417 W HN 0.421 nan 8.180 nan 0.000 0.612 1418 K N 1.400 121.814 120.400 0.024 0.000 2.541 1418 K HA 0.319 4.639 4.320 -0.001 0.000 0.250 1418 K C -2.743 173.884 176.600 0.044 0.000 0.950 1418 K CA -1.858 54.369 56.287 -0.100 0.000 0.805 1418 K CB 2.128 34.611 32.500 -0.030 0.000 1.166 1418 K HN 0.029 nan 8.250 nan 0.000 0.430 1419 P HA 0.011 nan 4.420 nan 0.000 0.263 1419 P C -0.942 176.426 177.300 0.113 0.000 1.195 1419 P CA 0.203 63.368 63.100 0.108 0.000 0.762 1419 P CB 0.482 32.210 31.700 0.047 0.000 0.799 1420 L N 3.942 125.262 121.223 0.162 0.000 2.341 1420 L HA 0.436 4.776 4.340 -0.001 0.000 0.278 1420 L C -0.174 176.777 176.870 0.136 0.000 1.005 1420 L CA -1.077 53.848 54.840 0.141 0.000 0.818 1420 L CB 1.653 43.808 42.059 0.161 0.000 1.259 1420 L HN 0.232 nan 8.230 nan 0.000 0.418 1421 L N 6.317 127.622 121.223 0.136 0.000 2.255 1421 L HA 0.514 4.853 4.340 -0.001 0.000 0.289 1421 L C -0.164 176.781 176.870 0.124 0.000 1.046 1421 L CA 0.067 54.981 54.840 0.123 0.000 0.816 1421 L CB 0.725 42.865 42.059 0.135 0.000 1.197 1421 L HN 0.614 nan 8.230 nan 0.000 0.427 1422 M N 3.910 123.537 119.600 0.044 0.000 2.465 1422 M HA 0.715 5.195 4.480 -0.001 0.000 0.316 1422 M C -0.022 176.256 176.300 -0.037 0.000 1.121 1422 M CA -0.588 54.708 55.300 -0.005 0.000 0.934 1422 M CB 1.668 34.195 32.600 -0.121 0.000 1.692 1422 M HN 0.595 nan 8.290 nan 0.000 0.444 1423 G N 1.653 110.440 108.800 -0.022 0.000 2.442 1423 G HA2 0.322 4.281 3.960 -0.001 0.000 0.249 1423 G HA3 0.322 4.281 3.960 -0.001 0.000 0.249 1423 G C 0.727 175.601 174.900 -0.043 0.000 1.263 1423 G CA -0.293 44.796 45.100 -0.018 0.000 0.846 1423 G HN 0.915 nan 8.290 nan 0.000 0.555 1424 V N 2.722 122.631 119.914 -0.008 0.000 2.277 1424 V HA -0.283 3.836 4.120 -0.001 0.000 0.255 1424 V C 2.737 178.820 176.094 -0.020 0.000 1.074 1424 V CA 3.377 65.683 62.300 0.009 0.000 1.058 1424 V CB -0.823 31.072 31.823 0.119 0.000 0.656 1424 V HN 0.839 nan 8.190 nan 0.000 0.449 1425 T N -0.208 114.340 114.554 -0.011 0.000 2.652 1425 T HA -0.235 4.115 4.350 -0.001 0.000 0.267 1425 T C 1.909 176.497 174.700 -0.187 0.000 1.039 1425 T CA 2.034 64.094 62.100 -0.066 0.000 1.153 1425 T CB -0.374 68.481 68.868 -0.021 0.000 0.863 1425 T HN 0.595 nan 8.240 nan 0.000 0.428 1426 K N 0.633 120.940 120.400 -0.155 0.000 2.063 1426 K HA -0.103 4.216 4.320 -0.001 0.000 0.208 1426 K C 2.686 179.121 176.600 -0.275 0.000 1.048 1426 K CA 1.423 57.593 56.287 -0.196 0.000 0.928 1426 K CB -0.318 32.096 32.500 -0.144 0.000 0.713 1426 K HN 0.201 nan 8.250 nan 0.000 0.442 1427 S N -0.208 115.313 115.700 -0.298 0.000 2.368 1427 S HA -0.108 4.362 4.470 -0.001 0.000 0.225 1427 S C 1.869 176.317 174.600 -0.252 0.000 1.030 1427 S CA 1.236 59.171 58.200 -0.441 0.000 0.999 1427 S CB -0.191 62.819 63.200 -0.316 0.000 0.844 1427 S HN 0.490 nan 8.310 nan 0.000 0.459 1428 A N 1.087 123.810 122.820 -0.162 0.000 1.897 1428 A HA 0.082 4.402 4.320 -0.001 0.000 0.215 1428 A C 1.995 179.486 177.584 -0.155 0.000 1.181 1428 A CA 1.121 53.100 52.037 -0.096 0.000 0.620 1428 A CB -0.728 18.250 19.000 -0.036 0.000 0.821 1428 A HN 0.469 nan 8.150 nan 0.000 0.443 1429 L N 0.611 121.671 121.223 -0.272 0.000 1.971 1429 L HA -0.115 4.224 4.340 -0.001 0.000 0.215 1429 L C 1.845 178.600 176.870 -0.191 0.000 1.072 1429 L CA 2.265 56.926 54.840 -0.298 0.000 0.758 1429 L CB -0.836 41.025 42.059 -0.331 0.000 0.889 1429 L HN 0.508 nan 8.230 nan 0.000 0.433 1430 S N -1.684 113.907 115.700 -0.181 0.000 2.512 1430 S HA 0.486 4.956 4.470 -0.001 0.000 0.291 1430 S C -0.022 174.580 174.600 0.003 0.000 1.151 1430 S CA -0.527 57.613 58.200 -0.100 0.000 1.120 1430 S CB 0.942 64.074 63.200 -0.113 0.000 1.029 1430 S HN 0.253 nan 8.310 nan 0.000 0.485 1431 T N 1.689 116.297 114.554 0.090 0.000 2.858 1431 T HA 0.473 4.822 4.350 -0.001 0.000 0.285 1431 T C 0.861 175.648 174.700 0.144 0.000 1.052 1431 T CA -0.703 61.528 62.100 0.218 0.000 1.009 1431 T CB 1.174 70.126 68.868 0.140 0.000 1.241 1431 T HN 0.367 nan 8.240 nan 0.000 0.542 1432 K N 1.152 121.612 120.400 0.100 0.000 1.965 1432 K HA 0.067 4.386 4.320 -0.001 0.000 0.214 1432 K C 1.333 177.965 176.600 0.053 0.000 1.042 1432 K CA 1.028 57.343 56.287 0.046 0.000 0.950 1432 K CB -0.999 31.491 32.500 -0.017 0.000 0.733 1432 K HN 0.805 nan 8.250 nan 0.000 0.441 1433 S N 0.396 116.089 115.700 -0.012 0.000 2.560 1433 S HA -0.071 4.398 4.470 -0.001 0.000 0.276 1433 S C 1.026 175.615 174.600 -0.018 0.000 1.350 1433 S CA 0.290 58.445 58.200 -0.074 0.000 1.024 1433 S CB 0.045 63.120 63.200 -0.209 0.000 0.864 1433 S HN 0.542 nan 8.310 nan 0.000 0.536 1434 W N 2.036 123.333 121.300 -0.005 0.000 2.735 1434 W HA 0.331 4.990 4.660 -0.001 0.000 0.264 1434 W C 1.340 177.834 176.519 -0.042 0.000 1.233 1434 W CA -0.250 57.088 57.345 -0.012 0.000 1.408 1434 W CB -0.715 28.755 29.460 0.017 0.000 1.038 1434 W HN 0.526 nan 8.180 nan 0.000 0.603 1435 L N 1.809 122.114 121.223 -1.529 0.000 2.021 1435 L HA -0.256 4.083 4.340 -0.001 0.000 0.215 1435 L C 2.409 178.978 176.870 -0.501 0.000 1.074 1435 L CA 2.675 56.892 54.840 -1.037 0.000 0.760 1435 L CB -1.183 40.318 42.059 -0.930 0.000 0.889 1435 L HN 0.131 nan 8.230 nan 0.000 0.433 1436 S N -1.025 114.466 115.700 -0.349 0.000 2.402 1436 S HA -0.044 4.425 4.470 -0.001 0.000 0.229 1436 S C 1.981 176.524 174.600 -0.095 0.000 1.021 1436 S CA 0.877 58.975 58.200 -0.171 0.000 0.974 1436 S CB -0.352 62.857 63.200 0.015 0.000 0.800 1436 S HN 0.646 nan 8.310 nan 0.000 0.484 1437 A N 1.161 123.934 122.820 -0.078 0.000 2.016 1437 A HA 0.338 4.657 4.320 -0.001 0.000 0.217 1437 A C 2.183 179.750 177.584 -0.028 0.000 1.162 1437 A CA 1.180 53.196 52.037 -0.035 0.000 0.662 1437 A CB -0.678 18.322 19.000 -0.001 0.000 0.812 1437 A HN 0.472 nan 8.150 nan 0.000 0.450 1438 A N -0.186 122.595 122.820 -0.065 0.000 2.172 1438 A HA 0.037 4.357 4.320 -0.001 0.000 0.216 1438 A C 2.231 179.655 177.584 -0.267 0.000 1.154 1438 A CA 1.691 53.658 52.037 -0.117 0.000 0.701 1438 A CB -0.490 18.335 19.000 -0.291 0.000 0.789 1438 A HN 0.461 nan 8.150 nan 0.000 0.465 1439 S N -1.342 114.235 115.700 -0.205 0.000 2.371 1439 S HA 0.084 4.554 4.470 -0.001 0.000 0.221 1439 S C 1.584 176.263 174.600 0.131 0.000 1.036 1439 S CA 1.024 59.166 58.200 -0.098 0.000 0.965 1439 S CB -0.369 62.779 63.200 -0.086 0.000 0.845 1439 S HN 0.728 nan 8.310 nan 0.000 0.475 1440 F N 1.283 121.224 119.950 -0.015 0.000 2.414 1440 F HA 0.211 4.737 4.527 -0.001 0.000 0.255 1440 F C 2.277 178.104 175.800 0.045 0.000 1.032 1440 F CA -0.244 57.781 58.000 0.043 0.000 1.049 1440 F CB -0.511 38.525 39.000 0.059 0.000 1.140 1440 F HN 0.077 nan 8.300 nan 0.000 0.643 1441 Q N 1.461 121.314 119.800 0.089 0.000 0.616 1441 Q HA -0.244 4.096 4.340 -0.001 0.000 0.886 1441 Q C -0.372 175.670 176.000 0.071 0.000 0.865 1441 Q CA 1.103 56.863 55.803 -0.072 0.000 0.880 1441 Q CB -0.726 27.808 28.738 -0.341 0.000 0.933 1441 Q HN 0.336 nan 8.270 nan 0.000 0.172 1442 N N 0.437 119.126 118.700 -0.018 0.000 2.501 1442 N HA 0.065 4.804 4.740 -0.001 0.000 0.245 1442 N C 0.408 175.883 175.510 -0.058 0.000 0.974 1442 N CA 0.555 53.589 53.050 -0.027 0.000 0.941 1442 N CB 1.119 39.578 38.487 -0.046 0.000 1.122 1442 N HN 0.522 nan 8.380 nan 0.000 0.507 1443 T N 0.020 114.575 114.554 0.002 0.000 2.778 1443 T HA -0.174 4.175 4.350 -0.001 0.000 0.269 1443 T C 1.532 176.047 174.700 -0.308 0.000 1.050 1443 T CA 1.850 63.993 62.100 0.071 0.000 1.137 1443 T CB -0.372 68.694 68.868 0.330 0.000 0.860 1443 T HN 0.375 nan 8.240 nan 0.000 0.468 1444 T N 0.494 114.633 114.554 -0.692 0.000 2.652 1444 T HA -0.123 4.226 4.350 -0.001 0.000 0.267 1444 T C 1.621 175.719 174.700 -1.004 0.000 1.039 1444 T CA 1.870 62.999 62.100 -1.617 0.000 1.153 1444 T CB -0.574 67.616 68.868 -1.129 0.000 0.863 1444 T HN 0.759 nan 8.240 nan 0.000 0.428 1445 H N -0.124 118.614 119.070 -0.553 0.000 2.268 1445 H HA -0.022 4.533 4.556 -0.001 0.000 0.304 1445 H C 2.370 177.570 175.328 -0.213 0.000 1.064 1445 H CA 1.108 56.960 56.048 -0.326 0.000 1.316 1445 H CB -0.222 29.416 29.762 -0.205 0.000 1.386 1445 H HN 0.007 nan 8.280 nan 0.000 0.496 1446 V N 0.748 120.658 119.914 -0.008 0.000 2.265 1446 V HA -0.369 3.750 4.120 -0.001 0.000 0.259 1446 V C 2.487 178.621 176.094 0.068 0.000 1.084 1446 V CA 2.157 64.468 62.300 0.017 0.000 1.076 1446 V CB -0.616 31.251 31.823 0.074 0.000 0.680 1446 V HN 0.341 nan 8.190 nan 0.000 0.452 1447 L N -1.077 120.182 121.223 0.059 0.000 2.072 1447 L HA -0.079 4.260 4.340 -0.001 0.000 0.205 1447 L C 2.524 179.398 176.870 0.006 0.000 1.079 1447 L CA 2.189 57.061 54.840 0.053 0.000 0.752 1447 L CB -1.317 40.924 42.059 0.304 0.000 0.906 1447 L HN 0.300 nan 8.230 nan 0.000 0.436 1448 T N -0.655 113.856 114.554 -0.071 0.000 2.597 1448 T HA -0.302 4.048 4.350 -0.001 0.000 0.267 1448 T C 1.884 176.634 174.700 0.083 0.000 1.053 1448 T CA 2.080 64.034 62.100 -0.242 0.000 1.165 1448 T CB -0.095 68.475 68.868 -0.496 0.000 0.863 1448 T HN 0.322 nan 8.240 nan 0.000 0.427 1449 E N 0.164 120.412 120.200 0.080 0.000 2.031 1449 E HA -0.029 4.320 4.350 -0.001 0.000 0.193 1449 E C 2.382 178.983 176.600 0.001 0.000 0.994 1449 E CA 0.974 57.413 56.400 0.065 0.000 0.800 1449 E CB -0.296 29.452 29.700 0.081 0.000 0.752 1449 E HN 0.454 nan 8.360 nan 0.000 0.447 1450 A N 0.742 123.553 122.820 -0.016 0.000 2.032 1450 A HA -0.207 4.113 4.320 -0.001 0.000 0.221 1450 A C 2.187 179.674 177.584 -0.161 0.000 1.165 1450 A CA 1.910 53.893 52.037 -0.089 0.000 0.645 1450 A CB -0.649 18.230 19.000 -0.202 0.000 0.807 1450 A HN 0.362 nan 8.150 nan 0.000 0.453 1451 A N -0.034 122.735 122.820 -0.086 0.000 1.835 1451 A HA 0.076 4.396 4.320 -0.001 0.000 0.213 1451 A C 2.005 179.606 177.584 0.029 0.000 1.210 1451 A CA 1.074 53.112 52.037 0.001 0.000 0.605 1451 A CB -0.720 18.382 19.000 0.169 0.000 0.860 1451 A HN 0.403 nan 8.150 nan 0.000 0.447 1452 I N 0.278 120.847 120.570 -0.002 0.000 2.141 1452 I HA -0.343 3.826 4.170 -0.001 0.000 0.243 1452 I C 1.629 177.542 176.117 -0.342 0.000 1.035 1452 I CA 1.409 62.458 61.300 -0.418 0.000 1.302 1452 I CB -0.285 37.247 38.000 -0.779 0.000 1.006 1452 I HN 0.333 nan 8.210 nan 0.000 0.413 1453 A N 1.300 123.997 122.820 -0.206 0.000 2.478 1453 A HA 0.494 4.813 4.320 -0.001 0.000 0.327 1453 A C 0.724 178.298 177.584 -0.018 0.000 1.431 1453 A CA -0.077 51.910 52.037 -0.084 0.000 1.014 1453 A CB -0.419 18.546 19.000 -0.058 0.000 1.143 1453 A HN 0.420 nan 8.150 nan 0.000 0.532 1454 G N 2.732 111.547 108.800 0.026 0.000 2.279 1454 G HA2 0.037 3.997 3.960 -0.001 0.000 0.285 1454 G HA3 0.037 3.997 3.960 -0.001 0.000 0.285 1454 G C 0.125 175.050 174.900 0.042 0.000 0.910 1454 G CA 0.195 45.318 45.100 0.038 0.000 1.477 1454 G HN 0.688 nan 8.290 nan 0.000 0.385 1455 K N 2.337 122.749 120.400 0.020 0.000 2.234 1455 K HA 0.151 4.470 4.320 -0.001 0.000 0.277 1455 K C 0.127 176.864 176.600 0.228 0.000 1.038 1455 K CA -0.422 55.934 56.287 0.115 0.000 0.888 1455 K CB 1.414 34.011 32.500 0.162 0.000 1.091 1455 K HN 0.372 nan 8.250 nan 0.000 0.467 1456 K N 2.569 123.089 120.400 0.201 0.000 2.219 1456 K HA 0.028 4.348 4.320 -0.001 0.000 0.280 1456 K C -0.298 176.425 176.600 0.204 0.000 1.104 1456 K CA -0.366 56.044 56.287 0.204 0.000 0.925 1456 K CB 0.446 33.012 32.500 0.110 0.000 1.261 1456 K HN 0.400 nan 8.250 nan 0.000 0.445 1457 D N 4.427 125.003 120.400 0.294 0.000 2.429 1457 D HA -0.071 4.568 4.640 -0.001 0.000 0.253 1457 D C -0.375 175.894 176.300 -0.053 0.000 1.294 1457 D CA 0.215 54.218 54.000 0.004 0.000 1.063 1457 D CB 0.395 40.933 40.800 -0.436 0.000 1.096 1457 D HN 0.356 nan 8.370 nan 0.000 0.516 1458 E N 3.057 123.223 120.200 -0.057 0.000 2.417 1458 E HA 0.027 4.376 4.350 -0.001 0.000 0.261 1458 E C 0.144 176.671 176.600 -0.121 0.000 1.000 1458 E CA -0.033 56.320 56.400 -0.079 0.000 0.919 1458 E CB 1.064 30.706 29.700 -0.096 0.000 0.955 1458 E HN 0.493 nan 8.360 nan 0.000 0.455 1459 L N 5.758 126.922 121.223 -0.099 0.000 2.312 1459 L HA 0.324 4.663 4.340 -0.001 0.000 0.287 1459 L C 0.327 177.138 176.870 -0.097 0.000 1.091 1459 L CA -0.189 54.587 54.840 -0.107 0.000 0.846 1459 L CB -0.394 41.615 42.059 -0.083 0.000 1.219 1459 L HN 0.374 nan 8.230 nan 0.000 0.439 1460 I N 0.336 120.836 120.570 -0.117 0.000 2.656 1460 I HA 0.996 5.165 4.170 -0.001 0.000 0.292 1460 I C 0.003 176.081 176.117 -0.064 0.000 1.144 1460 I CA -0.616 60.622 61.300 -0.103 0.000 1.038 1460 I CB 2.234 40.130 38.000 -0.174 0.000 1.244 1460 I HN 0.541 nan 8.210 nan 0.000 0.420 1461 G N 3.870 112.669 108.800 -0.002 0.000 2.712 1461 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.686 1461 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.686 1461 G C -0.258 174.685 174.900 0.070 0.000 1.181 1461 G CA -0.365 44.796 45.100 0.103 0.000 0.762 1461 G HN 0.900 nan 8.290 nan 0.000 0.641 1462 L N 0.830 122.114 121.223 0.101 0.000 2.162 1462 L HA 0.157 4.496 4.340 -0.001 0.000 0.205 1462 L C 2.852 179.628 176.870 -0.157 0.000 1.086 1462 L CA 1.280 56.108 54.840 -0.020 0.000 0.778 1462 L CB -0.550 41.515 42.059 0.009 0.000 0.928 1462 L HN 0.711 nan 8.230 nan 0.000 0.446 1463 K N 1.397 121.547 120.400 -0.416 0.000 1.980 1463 K HA -0.257 4.063 4.320 -0.001 0.000 0.223 1463 K C 2.120 178.532 176.600 -0.313 0.000 1.052 1463 K CA 2.511 58.478 56.287 -0.532 0.000 0.974 1463 K CB -0.149 31.703 32.500 -1.080 0.000 0.734 1463 K HN 0.495 nan 8.250 nan 0.000 0.447 1464 E N 0.118 120.142 120.200 -0.294 0.000 2.049 1464 E HA -0.292 4.057 4.350 -0.001 0.000 0.198 1464 E C 1.789 178.282 176.600 -0.178 0.000 1.007 1464 E CA 1.819 58.068 56.400 -0.251 0.000 0.809 1464 E CB -0.687 28.856 29.700 -0.263 0.000 0.749 1464 E HN 0.453 nan 8.360 nan 0.000 0.450 1465 N N 0.231 118.850 118.700 -0.135 0.000 2.520 1465 N HA -0.096 4.643 4.740 -0.001 0.000 0.185 1465 N C 1.569 177.034 175.510 -0.075 0.000 1.068 1465 N CA 0.334 53.330 53.050 -0.091 0.000 0.911 1465 N CB 0.255 38.703 38.487 -0.065 0.000 0.961 1465 N HN 0.057 nan 8.380 nan 0.000 0.446 1466 V N 0.531 120.391 119.914 -0.090 0.000 2.535 1466 V HA -0.104 4.016 4.120 -0.001 0.000 0.246 1466 V C 1.953 178.016 176.094 -0.053 0.000 1.045 1466 V CA 0.859 63.120 62.300 -0.066 0.000 1.058 1466 V CB -0.110 31.669 31.823 -0.073 0.000 0.689 1466 V HN 0.234 nan 8.190 nan 0.000 0.461 1467 I N -0.078 120.451 120.570 -0.068 0.000 2.248 1467 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 1467 I C 2.269 178.379 176.117 -0.011 0.000 1.107 1467 I CA 1.711 62.990 61.300 -0.034 0.000 1.373 1467 I CB -0.379 37.592 38.000 -0.049 0.000 1.055 1467 I HN 0.248 nan 8.210 nan 0.000 0.418 1468 L N 0.329 121.536 121.223 -0.027 0.000 2.201 1468 L HA -0.038 4.302 4.340 -0.001 0.000 0.212 1468 L C 1.614 178.476 176.870 -0.014 0.000 1.105 1468 L CA 1.131 55.962 54.840 -0.015 0.000 0.775 1468 L CB -0.362 41.682 42.059 -0.025 0.000 0.913 1468 L HN 0.509 nan 8.230 nan 0.000 0.440 1469 G N 0.271 109.060 108.800 -0.019 0.000 2.136 1469 G HA2 -0.317 3.643 3.960 -0.001 0.000 0.242 1469 G HA3 -0.317 3.643 3.960 -0.001 0.000 0.242 1469 G C 0.394 175.281 174.900 -0.022 0.000 0.989 1469 G CA 0.384 45.474 45.100 -0.017 0.000 0.682 1469 G HN 0.465 nan 8.290 nan 0.000 0.522 1470 R N -0.542 119.943 120.500 -0.026 0.000 2.549 1470 R HA 0.674 5.013 4.340 -0.001 0.000 0.267 1470 R C 0.781 177.062 176.300 -0.031 0.000 1.045 1470 R CA -0.910 55.174 56.100 -0.027 0.000 1.115 1470 R CB 0.414 30.699 30.300 -0.025 0.000 1.121 1470 R HN 0.224 nan 8.270 nan 0.000 0.543 1471 L N 2.549 123.752 121.223 -0.034 0.000 2.499 1471 L HA 0.030 4.370 4.340 -0.001 0.000 0.281 1471 L C -0.257 176.599 176.870 -0.023 0.000 1.234 1471 L CA 0.536 55.354 54.840 -0.038 0.000 0.839 1471 L CB 0.347 42.377 42.059 -0.048 0.000 1.104 1471 L HN 0.439 nan 8.230 nan 0.000 0.500 1472 I N 5.397 125.957 120.570 -0.016 0.000 2.529 1472 I HA 0.130 4.299 4.170 -0.001 0.000 0.284 1472 I C -1.408 174.714 176.117 0.007 0.000 1.082 1472 I CA -2.008 59.289 61.300 -0.005 0.000 1.406 1472 I CB 0.405 38.407 38.000 0.003 0.000 1.405 1472 I HN 0.542 nan 8.210 nan 0.000 0.548 1473 P HA -0.047 nan 4.420 nan 0.000 0.225 1473 P C -0.067 177.252 177.300 0.031 0.000 1.148 1473 P CA 0.930 64.038 63.100 0.014 0.000 0.779 1473 P CB 0.433 32.133 31.700 -0.000 0.000 0.780 1474 A N -1.728 121.111 122.820 0.032 0.000 2.413 1474 A HA 0.739 5.059 4.320 -0.001 0.000 0.307 1474 A C 0.677 178.290 177.584 0.047 0.000 1.087 1474 A CA -0.066 51.996 52.037 0.041 0.000 0.750 1474 A CB 1.202 20.221 19.000 0.031 0.000 1.296 1474 A HN 0.256 nan 8.150 nan 0.000 0.423 1475 G N 0.230 109.067 108.800 0.061 0.000 3.050 1475 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.234 1475 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.234 1475 G C 0.971 175.929 174.900 0.097 0.000 1.521 1475 G CA 1.058 46.200 45.100 0.070 0.000 1.090 1475 G HN 1.698 nan 8.290 nan 0.000 0.556 1476 T N 0.454 115.065 114.554 0.096 0.000 3.031 1476 T HA 0.347 4.697 4.350 -0.001 0.000 0.254 1476 T C 2.389 177.141 174.700 0.086 0.000 1.060 1476 T CA 1.704 63.876 62.100 0.120 0.000 1.135 1476 T CB -0.085 68.884 68.868 0.170 0.000 0.896 1476 T HN 1.569 nan 8.240 nan 0.000 0.472 1477 G N 1.605 110.436 108.800 0.052 0.000 2.625 1477 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.214 1477 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.214 1477 G C 0.755 175.704 174.900 0.082 0.000 1.132 1477 G CA 0.235 45.362 45.100 0.046 0.000 0.782 1477 G HN 0.564 nan 8.290 nan 0.000 0.538 1478 S N 0.759 116.519 115.700 0.100 0.000 2.670 1478 S HA 0.012 4.481 4.470 -0.001 0.000 0.308 1478 S C 1.218 175.916 174.600 0.164 0.000 1.232 1478 S CA 0.104 58.381 58.200 0.128 0.000 1.126 1478 S CB 0.042 63.336 63.200 0.157 0.000 0.897 1478 S HN 0.365 nan 8.310 nan 0.000 0.508 1479 D N 4.071 124.555 120.400 0.141 0.000 2.280 1479 D HA -0.156 4.483 4.640 -0.001 0.000 0.206 1479 D C 1.027 177.439 176.300 0.187 0.000 0.988 1479 D CA 1.213 55.293 54.000 0.132 0.000 0.886 1479 D CB -0.192 40.657 40.800 0.082 0.000 0.914 1479 D HN 0.695 nan 8.370 nan 0.000 0.473 1480 F N 0.309 120.291 119.950 0.054 0.000 2.206 1480 F HA -0.042 4.485 4.527 -0.001 0.000 0.298 1480 F C 1.656 177.508 175.800 0.088 0.000 1.090 1480 F CA 0.855 58.888 58.000 0.056 0.000 1.323 1480 F CB 0.301 39.326 39.000 0.042 0.000 1.028 1480 F HN -0.134 nan 8.300 nan 0.000 0.492 1481 V N -0.291 119.681 119.914 0.096 0.000 3.380 1481 V HA 0.140 4.260 4.120 -0.001 0.000 0.307 1481 V C 1.772 177.929 176.094 0.105 0.000 1.434 1481 V CA -0.046 62.259 62.300 0.008 0.000 1.075 1481 V CB -0.137 31.721 31.823 0.059 0.000 0.954 1481 V HN 0.104 nan 8.190 nan 0.000 0.444 1482 R N 0.452 121.067 120.500 0.191 0.000 2.139 1482 R HA -0.070 4.269 4.340 -0.001 0.000 0.243 1482 R C -0.040 176.335 176.300 0.125 0.000 1.145 1482 R CA 1.391 57.622 56.100 0.218 0.000 0.976 1482 R CB -0.077 30.467 30.300 0.408 0.000 0.866 1482 R HN 0.400 nan 8.270 nan 0.000 0.449 1483 F N 0.206 120.144 119.950 -0.020 0.000 2.403 1483 F HA 0.320 4.846 4.527 -0.001 0.000 0.355 1483 F C -0.361 175.404 175.800 -0.059 0.000 1.119 1483 F CA -0.356 57.629 58.000 -0.026 0.000 1.007 1483 F CB 2.099 41.081 39.000 -0.030 0.000 1.194 1483 F HN -0.298 nan 8.300 nan 0.000 0.443 1484 T N 3.559 118.138 114.554 0.042 0.000 3.578 1484 T HA 0.266 4.616 4.350 -0.001 0.000 0.343 1484 T C -1.025 173.668 174.700 -0.012 0.000 1.126 1484 T CA -1.037 61.064 62.100 0.000 0.000 1.092 1484 T CB 1.589 70.439 68.868 -0.029 0.000 1.160 1484 T HN 0.506 nan 8.240 nan 0.000 0.469 1485 Q N 1.747 121.543 119.800 -0.007 0.000 2.248 1485 Q HA 0.861 5.201 4.340 -0.001 0.000 0.263 1485 Q C -0.952 175.039 176.000 -0.016 0.000 1.007 1485 Q CA -1.008 54.788 55.803 -0.011 0.000 0.877 1485 Q CB 1.927 30.666 28.738 0.001 0.000 1.315 1485 Q HN 0.381 nan 8.270 nan 0.000 0.454 1486 V N 1.004 120.907 119.914 -0.018 0.000 2.715 1486 V HA 0.625 4.744 4.120 -0.001 0.000 0.310 1486 V C -0.259 175.827 176.094 -0.014 0.000 1.054 1486 V CA -0.725 61.563 62.300 -0.020 0.000 0.928 1486 V CB 1.833 33.639 31.823 -0.028 0.000 1.007 1486 V HN 0.696 nan 8.190 nan 0.000 0.437 1487 V N 1.732 121.638 119.914 -0.013 0.000 3.078 1487 V HA 0.574 4.694 4.120 -0.001 0.000 0.311 1487 V C -1.382 174.707 176.094 -0.010 0.000 1.138 1487 V CA -0.835 61.460 62.300 -0.009 0.000 1.007 1487 V CB 2.555 34.374 31.823 -0.006 0.000 1.045 1487 V HN 0.936 nan 8.190 nan 0.000 0.432 1488 D N 2.043 122.438 120.400 -0.008 0.000 2.391 1488 D HA 0.266 4.906 4.640 -0.001 0.000 0.245 1488 D C 0.408 176.705 176.300 -0.005 0.000 1.069 1488 D CA -0.639 53.356 54.000 -0.007 0.000 0.831 1488 D CB 2.228 43.023 40.800 -0.007 0.000 1.204 1488 D HN 0.361 nan 8.370 nan 0.000 0.503 1489 Q N 1.266 121.063 119.800 -0.005 0.000 2.325 1489 Q HA -0.197 4.143 4.340 -0.001 0.000 0.211 1489 Q C 1.329 177.327 176.000 -0.003 0.000 0.988 1489 Q CA 1.388 57.189 55.803 -0.004 0.000 0.887 1489 Q CB -0.054 28.682 28.738 -0.004 0.000 0.915 1489 Q HN 0.532 nan 8.270 nan 0.000 0.440 1490 K N -0.547 119.851 120.400 -0.003 0.000 2.103 1490 K HA -0.026 4.293 4.320 -0.001 0.000 0.204 1490 K C 1.941 178.540 176.600 -0.002 0.000 1.052 1490 K CA 1.407 57.692 56.287 -0.003 0.000 0.945 1490 K CB 0.032 32.531 32.500 -0.003 0.000 0.722 1490 K HN 0.092 nan 8.250 nan 0.000 0.443 1491 T N 1.696 116.248 114.554 -0.003 0.000 3.067 1491 T HA 0.044 4.393 4.350 -0.001 0.000 0.257 1491 T C 1.457 176.156 174.700 -0.001 0.000 1.105 1491 T CA 0.232 62.331 62.100 -0.002 0.000 1.104 1491 T CB 0.131 68.997 68.868 -0.003 0.000 0.925 1491 T HN 0.060 nan 8.240 nan 0.000 0.498 1492 L N 0.977 122.199 121.223 -0.001 0.000 2.179 1492 L HA 0.085 4.424 4.340 -0.001 0.000 0.208 1492 L C 1.884 178.754 176.870 0.000 0.000 1.096 1492 L CA 1.635 56.475 54.840 -0.000 0.000 0.779 1492 L CB -0.371 41.687 42.059 -0.001 0.000 0.922 1492 L HN 0.081 nan 8.230 nan 0.000 0.443 1493 K N -0.143 120.257 120.400 -0.000 0.000 2.186 1493 K HA 0.108 4.428 4.320 -0.001 0.000 0.202 1493 K C 2.011 178.611 176.600 0.001 0.000 1.052 1493 K CA 1.014 57.301 56.287 0.000 0.000 0.965 1493 K CB -0.282 32.218 32.500 -0.000 0.000 0.746 1493 K HN 0.243 nan 8.250 nan 0.000 0.457 1494 A N 1.193 124.013 122.820 0.000 0.000 1.969 1494 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 1494 A C 2.154 179.739 177.584 0.002 0.000 1.169 1494 A CA 1.078 53.116 52.037 0.001 0.000 0.635 1494 A CB -0.376 18.625 19.000 0.000 0.000 0.810 1494 A HN 0.106 nan 8.150 nan 0.000 0.445 1495 I N -0.024 120.547 120.570 0.002 0.000 2.286 1495 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 1495 I C 2.350 178.469 176.117 0.003 0.000 1.104 1495 I CA 1.800 63.102 61.300 0.003 0.000 1.397 1495 I CB -0.294 37.708 38.000 0.003 0.000 1.072 1495 I HN 0.564 nan 8.210 nan 0.000 0.417 1496 E N 0.664 120.865 120.200 0.003 0.000 2.153 1496 E HA -0.225 4.125 4.350 -0.001 0.000 0.194 1496 E C 1.856 178.457 176.600 0.002 0.000 0.988 1496 E CA 1.383 57.785 56.400 0.003 0.000 0.811 1496 E CB -0.204 29.497 29.700 0.002 0.000 0.746 1496 E HN 0.329 nan 8.360 nan 0.000 0.466 1497 E N 0.213 120.414 120.200 0.002 0.000 2.204 1497 E HA -0.084 4.266 4.350 -0.001 0.000 0.194 1497 E C 1.867 178.469 176.600 0.002 0.000 0.989 1497 E CA 1.102 57.503 56.400 0.002 0.000 0.824 1497 E CB -0.299 29.402 29.700 0.001 0.000 0.756 1497 E HN 0.471 nan 8.360 nan 0.000 0.477 1498 A N 1.119 123.941 122.820 0.003 0.000 2.016 1498 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 1498 A C 2.070 179.657 177.584 0.004 0.000 1.162 1498 A CA 0.652 52.691 52.037 0.003 0.000 0.662 1498 A CB -0.169 18.833 19.000 0.004 0.000 0.812 1498 A HN 0.118 nan 8.150 nan 0.000 0.450 1499 R N -0.045 120.458 120.500 0.004 0.000 2.119 1499 R HA 0.031 4.370 4.340 -0.001 0.000 0.222 1499 R C 1.897 178.199 176.300 0.003 0.000 1.088 1499 R CA 1.239 57.341 56.100 0.004 0.000 0.984 1499 R CB -0.243 30.060 30.300 0.004 0.000 0.884 1499 R HN 0.381 nan 8.270 nan 0.000 0.447 1500 K N 1.089 121.491 120.400 0.003 0.000 2.097 1500 K HA -0.121 4.198 4.320 -0.001 0.000 0.205 1500 K C 1.963 178.565 176.600 0.003 0.000 1.050 1500 K CA 0.916 57.204 56.287 0.003 0.000 0.938 1500 K CB 0.052 32.553 32.500 0.002 0.000 0.718 1500 K HN 0.161 nan 8.250 nan 0.000 0.442 1501 E N 0.639 120.841 120.200 0.003 0.000 2.409 1501 E HA -0.121 4.229 4.350 -0.001 0.000 0.198 1501 E C 1.498 178.100 176.600 0.003 0.000 1.024 1501 E CA 0.444 56.845 56.400 0.003 0.000 0.861 1501 E CB 0.104 29.806 29.700 0.003 0.000 0.788 1501 E HN 0.299 nan 8.360 nan 0.000 0.521 1502 A N 0.516 123.338 122.820 0.003 0.000 2.067 1502 A HA -0.028 4.291 4.320 -0.001 0.000 0.219 1502 A C 1.233 178.819 177.584 0.003 0.000 1.158 1502 A CA 0.284 52.323 52.037 0.003 0.000 0.661 1502 A CB -0.025 18.977 19.000 0.004 0.000 0.801 1502 A HN 0.076 nan 8.150 nan 0.000 0.452 1503 V N 2.671 122.587 119.914 0.003 0.000 2.403 1503 V HA 0.058 4.178 4.120 -0.001 0.000 0.265 1503 V C -0.153 175.943 176.094 0.003 0.000 1.034 1503 V CA -0.231 62.071 62.300 0.003 0.000 1.036 1503 V CB 0.036 31.860 31.823 0.003 0.000 1.032 1503 V HN 0.361 nan 8.190 nan 0.000 0.478 1504 E N 4.024 124.226 120.200 0.003 0.000 2.313 1504 E HA 0.597 4.946 4.350 -0.001 0.000 0.276 1504 E C 0.689 177.291 176.600 0.002 0.000 1.031 1504 E CA 0.695 57.096 56.400 0.003 0.000 0.857 1504 E CB 1.261 30.963 29.700 0.003 0.000 1.040 1504 E HN 0.974 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 4.319 4.320 -0.001 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