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 1iw7_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 VALYRFPRRV RVEYVKKERA GLRLPLAAWV EKEAYKPGEI LAELPEPYLF DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXGDKIVAAI DPEEEVIAEA EGVVHLHEPA SILVVKARVY DATA SEQUENCE PFEDDVEVST GDRVAPGDVL ADGGKVKSDV YGRVEVDLVR NVVRVVESYD DATA SEQUENCE IDARMGAEAI QQLLKELDLE ALEKELLEEM KHPSRARRAK ARKRLEVVRA DATA SEQUENCE FLDSGNRPEW MILEAVPVLP PDLRPMVQVD GGRFATSDLN DLYRRLINRN DATA SEQUENCE NRLKKLLAQG APEIIIRNEK RMLQEAVDAL LDNGRRGAPV TNPGSDRPLR DATA SEQUENCE SLTDILSGKQ GRFRQNLLGK RVDYSGRSVI VVGPQLKLHQ CGLPKRMALE DATA SEQUENCE LFKPFLLKKM EEKGIAPNVK AARRMLERQR DIKDEVWDAL EEVIHGKVVL DATA SEQUENCE LNRAPTLHRL GIQAFQPVLV EGQSIQLHPL VCEAFNADFD GDQMAVHVPL DATA SEQUENCE SSFAQAEARI QMLSAHNLLS PASGEPLAKP SRDIILGLYY ITQVRKEKKG DATA SEQUENCE AGLEFATPEE ALAAHERGEV ALNAPIKVAG RETSVGRLKY VFANPDEALL DATA SEQUENCE AVAHGIVDLQ DVVTVRYMGK RLETSPGRIL FARIVAEAVE DEKVAWELIQ DATA SEQUENCE LDVPQEKNSL KDLVYQAFLR LGMEKTARLL DALKYYGFTF STTSGITIGI DATA SEQUENCE DDAVIPEEKK QYLEEADRKL LQIEQAYEMG FLTDRERYDQ ILQLWTETTE DATA SEQUENCE KVTQAVFKNF EENYPFNPLY VMAQSGARGN PQQIRQLCGL RGLMQKPSGE DATA SEQUENCE TFEVPVRSSF REGLTVLEYF ISSHGARKGG ADTALRTADS GYLTRKLVDV DATA SEQUENCE THEIVVREAD CGTTNYISVP LFQPDEVTRS LRLRKRADIE AGLYGRVLAR DATA SEQUENCE EVEVLGVRLE EGRYLSMDDV HLLIKAAEAG EIQEVPVRSP LTCQTRYGVC DATA SEQUENCE QKCYGYDLSM ARPVSIGEAV GIVAAQSIGE PGTQLTMRTF HTGGVAGAAD DATA SEQUENCE ITQGLPRVIE LFEARRPKAK AVISEIDGVV RIEETEEKLS VFVESEGFSK DATA SEQUENCE EYKLPKEARL LVKDGDYVEA GQPLTRGAID PHQLLEAKGP EAVERYLVEE DATA SEQUENCE IQKVYRAQGV KLHDKHIEIV VRQMMKYVEV TDPGDSRLLE GQVLEKWDVE DATA SEQUENCE ALNERLIAEG KTPVAWKPLL MGVTKSALST KSWLSAASFQ NTTHVLTEAA DATA SEQUENCE IAGKKDELIG LKENVILGRL IPAGTGSDFV RFTQVVDQKT LKAIEEARKE DATA SEQUENCE AVEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.608 176.600 0.013 0.000 0.988 2 K CA 0.000 56.294 56.287 0.011 0.000 0.838 2 K CB 0.000 32.509 32.500 0.014 0.000 1.064 3 K N 2.083 122.492 120.400 0.014 0.000 2.270 3 K HA 0.180 4.482 4.320 -0.030 0.000 0.276 3 K C -0.531 176.078 176.600 0.015 0.000 1.023 3 K CA -0.249 56.050 56.287 0.019 0.000 0.955 3 K CB 1.063 33.575 32.500 0.020 0.000 0.975 3 K HN 0.207 nan 8.250 nan 0.000 0.471 4 E N 1.365 121.577 120.200 0.021 0.000 2.414 4 E HA 0.015 4.348 4.350 -0.030 0.000 0.263 4 E C -0.565 176.041 176.600 0.011 0.000 1.000 4 E CA -0.302 56.105 56.400 0.013 0.000 0.914 4 E CB 0.700 30.415 29.700 0.024 0.000 0.948 4 E HN 0.239 nan 8.360 nan 0.000 0.444 5 V N 6.487 126.401 119.914 -0.000 0.000 2.390 5 V HA 0.037 4.139 4.120 -0.030 0.000 0.260 5 V C 1.251 177.345 176.094 -0.001 0.000 1.043 5 V CA 0.433 62.733 62.300 -0.000 0.000 1.047 5 V CB 0.192 32.009 31.823 -0.010 0.000 1.066 5 V HN 0.697 nan 8.190 nan 0.000 0.481 6 R N 2.799 123.304 120.500 0.008 0.000 2.335 6 R HA 0.260 4.582 4.340 -0.030 0.000 0.210 6 R C -0.091 176.210 176.300 0.001 0.000 0.892 6 R CA 0.158 56.261 56.100 0.005 0.000 1.048 6 R CB 0.608 30.918 30.300 0.017 0.000 1.067 6 R HN 0.581 nan 8.270 nan 0.000 0.524 7 K N 0.806 121.214 120.400 0.014 0.000 2.581 7 K HA 0.323 4.626 4.320 -0.030 0.000 0.249 7 K C -1.253 175.384 176.600 0.061 0.000 0.966 7 K CA -0.453 55.849 56.287 0.026 0.000 0.811 7 K CB 3.225 35.748 32.500 0.040 0.000 1.223 7 K HN -0.230 nan 8.250 nan 0.000 0.438 8 V N 2.648 122.608 119.914 0.077 0.000 2.612 8 V HA 0.538 4.640 4.120 -0.030 0.000 0.301 8 V C -0.228 176.136 176.094 0.451 0.000 1.046 8 V CA -0.671 61.741 62.300 0.187 0.000 0.946 8 V CB 1.593 33.487 31.823 0.119 0.000 1.003 8 V HN 0.744 nan 8.190 nan 0.000 0.459 9 R N 4.394 125.167 120.500 0.455 0.000 2.512 9 R HA 0.487 4.809 4.340 -0.030 0.000 0.291 9 R C -1.629 174.664 176.300 -0.013 0.000 1.097 9 R CA -0.635 55.666 56.100 0.333 0.000 0.940 9 R CB 1.275 31.688 30.300 0.188 0.000 1.198 9 R HN 0.699 nan 8.270 nan 0.000 0.429 10 I N 3.905 124.129 120.570 -0.576 0.000 2.471 10 I HA 0.356 4.508 4.170 -0.030 0.000 0.286 10 I C 0.213 176.208 176.117 -0.205 0.000 1.079 10 I CA 0.007 61.006 61.300 -0.502 0.000 1.398 10 I CB 1.432 38.899 38.000 -0.889 0.000 1.403 10 I HN 0.728 nan 8.210 nan 0.000 0.530 11 A N 7.025 129.832 122.820 -0.022 0.000 2.498 11 A HA 0.639 4.941 4.320 -0.030 0.000 0.298 11 A C -0.786 176.919 177.584 0.201 0.000 1.075 11 A CA -0.631 51.463 52.037 0.095 0.000 0.714 11 A CB 1.402 20.475 19.000 0.122 0.000 1.299 11 A HN 0.658 nan 8.150 nan 0.000 0.407 12 L N 1.263 122.669 121.223 0.304 0.000 2.452 12 L HA 0.445 4.768 4.340 -0.030 0.000 0.267 12 L C 0.924 177.992 176.870 0.330 0.000 1.188 12 L CA -0.326 54.757 54.840 0.404 0.000 0.821 12 L CB 1.142 43.543 42.059 0.571 0.000 1.102 12 L HN 0.881 nan 8.230 nan 0.000 0.470 13 A N 3.098 126.051 122.820 0.222 0.000 2.347 13 A HA 0.370 4.672 4.320 -0.030 0.000 0.287 13 A C 0.054 177.464 177.584 -0.290 0.000 1.199 13 A CA -0.356 51.668 52.037 -0.022 0.000 0.851 13 A CB -0.021 18.929 19.000 -0.083 0.000 1.118 13 A HN 0.701 nan 8.150 nan 0.000 0.525 14 S N 4.838 120.145 115.700 -0.655 0.000 2.523 14 S HA 0.267 4.719 4.470 -0.030 0.000 0.275 14 S C -1.872 172.260 174.600 -0.780 0.000 1.281 14 S CA -0.845 56.621 58.200 -1.223 0.000 1.050 14 S CB 1.004 63.446 63.200 -1.263 0.000 0.937 14 S HN 0.551 nan 8.310 nan 0.000 0.492 15 P HA -0.206 nan 4.420 nan 0.000 0.217 15 P C 1.462 178.460 177.300 -0.503 0.000 1.148 15 P CA 1.112 63.932 63.100 -0.466 0.000 0.828 15 P CB 0.065 31.582 31.700 -0.306 0.000 0.783 16 E N 0.143 120.038 120.200 -0.509 0.000 2.150 16 E HA -0.182 4.151 4.350 -0.030 0.000 0.193 16 E C 1.713 178.022 176.600 -0.485 0.000 0.985 16 E CA 1.077 57.220 56.400 -0.428 0.000 0.814 16 E CB -0.600 28.892 29.700 -0.347 0.000 0.752 16 E HN 0.161 nan 8.360 nan 0.000 0.466 17 K N 0.254 120.304 120.400 -0.583 0.000 2.155 17 K HA -0.032 4.270 4.320 -0.030 0.000 0.203 17 K C 2.031 177.892 176.600 -1.231 0.000 1.052 17 K CA 0.889 56.775 56.287 -0.668 0.000 0.948 17 K CB 0.011 32.208 32.500 -0.506 0.000 0.728 17 K HN 0.217 nan 8.250 nan 0.000 0.448 18 I N 1.286 121.140 120.570 -1.193 0.000 2.361 18 I HA -0.248 3.905 4.170 -0.030 0.000 0.251 18 I C 2.003 177.662 176.117 -0.763 0.000 1.133 18 I CA 1.495 62.047 61.300 -1.247 0.000 1.413 18 I CB -0.796 36.757 38.000 -0.746 0.000 1.073 18 I HN 0.187 nan 8.210 nan 0.000 0.424 19 R N 0.262 120.360 120.500 -0.671 0.000 2.100 19 R HA -0.049 4.273 4.340 -0.030 0.000 0.220 19 R C 2.469 178.536 176.300 -0.389 0.000 1.091 19 R CA 1.332 57.065 56.100 -0.611 0.000 0.986 19 R CB -0.361 29.612 30.300 -0.545 0.000 0.888 19 R HN 0.331 nan 8.270 nan 0.000 0.444 20 S N 0.331 115.821 115.700 -0.350 0.000 2.383 20 S HA -0.126 4.326 4.470 -0.030 0.000 0.227 20 S C 1.461 176.046 174.600 -0.026 0.000 1.026 20 S CA 0.700 58.789 58.200 -0.184 0.000 0.981 20 S CB -0.163 62.952 63.200 -0.142 0.000 0.818 20 S HN 0.431 nan 8.310 nan 0.000 0.472 21 W N 1.984 123.202 121.300 -0.135 0.000 2.519 21 W HA 0.415 5.058 4.660 -0.029 0.000 0.266 21 W C 1.769 178.267 176.519 -0.036 0.000 1.253 21 W CA -0.379 56.926 57.345 -0.068 0.000 1.274 21 W CB -1.748 27.699 29.460 -0.023 0.000 1.114 21 W HN 0.289 nan 8.180 nan 0.000 0.596 22 S N -0.850 114.932 115.700 0.137 0.000 2.681 22 S HA 0.500 4.952 4.470 -0.030 0.000 0.270 22 S C -1.407 173.166 174.600 -0.046 0.000 1.209 22 S CA -0.192 58.114 58.200 0.176 0.000 0.988 22 S CB 0.660 64.044 63.200 0.308 0.000 1.006 22 S HN -0.050 nan 8.310 nan 0.000 0.558 23 Y N 0.210 120.493 120.300 -0.030 0.000 2.386 23 Y HA 0.544 5.076 4.550 -0.030 0.000 0.334 23 Y C 0.729 176.492 175.900 -0.227 0.000 1.002 23 Y CA -0.125 57.899 58.100 -0.126 0.000 1.068 23 Y CB 1.380 39.713 38.460 -0.211 0.000 1.203 23 Y HN 1.114 nan 8.280 nan 0.000 0.443 24 G N 2.295 111.086 108.800 -0.016 0.000 2.977 24 G HA2 -0.187 3.755 3.960 -0.030 0.000 0.308 24 G HA3 -0.187 3.755 3.960 -0.030 0.000 0.308 24 G C -0.619 174.071 174.900 -0.350 0.000 1.491 24 G CA -0.263 44.753 45.100 -0.140 0.000 0.971 24 G HN 0.673 nan 8.290 nan 0.000 0.557 25 E N -0.348 119.636 120.200 -0.360 0.000 2.182 25 E HA 0.406 4.738 4.350 -0.030 0.000 0.258 25 E C 0.099 176.536 176.600 -0.272 0.000 0.879 25 E CA -0.715 55.370 56.400 -0.524 0.000 0.754 25 E CB 1.499 30.967 29.700 -0.387 0.000 1.162 25 E HN 0.497 nan 8.360 nan 0.000 0.419 26 V N 6.230 126.011 119.914 -0.222 0.000 2.400 26 V HA -0.042 4.060 4.120 -0.030 0.000 0.263 26 V C 1.191 177.248 176.094 -0.061 0.000 1.026 26 V CA 0.685 62.940 62.300 -0.074 0.000 1.077 26 V CB -0.138 31.688 31.823 0.005 0.000 1.054 26 V HN 0.634 nan 8.190 nan 0.000 0.477 27 E N 3.477 123.649 120.200 -0.046 0.000 2.481 27 E HA 0.235 4.567 4.350 -0.030 0.000 0.198 27 E C 0.011 176.607 176.600 -0.006 0.000 1.027 27 E CA -0.098 56.283 56.400 -0.031 0.000 0.900 27 E CB 0.612 30.290 29.700 -0.037 0.000 0.993 27 E HN 0.640 nan 8.360 nan 0.000 0.482 28 K N 1.259 121.663 120.400 0.007 0.000 2.498 28 K HA 0.288 4.590 4.320 -0.030 0.000 0.254 28 K C -2.871 173.749 176.600 0.033 0.000 0.933 28 K CA -2.333 53.964 56.287 0.017 0.000 0.806 28 K CB 2.413 34.919 32.500 0.010 0.000 1.301 28 K HN -0.261 nan 8.250 nan 0.000 0.432 29 P HA 0.047 nan 4.420 nan 0.000 0.235 29 P C -1.221 176.101 177.300 0.037 0.000 1.765 29 P CA 0.072 63.200 63.100 0.048 0.000 1.034 29 P CB 0.185 31.911 31.700 0.043 0.000 1.984 30 E N 0.730 120.957 120.200 0.044 0.000 2.593 30 E HA 0.129 4.461 4.350 -0.030 0.000 0.232 30 E C 0.541 177.162 176.600 0.035 0.000 1.026 30 E CA -0.116 56.295 56.400 0.020 0.000 0.772 30 E CB 0.925 30.631 29.700 0.011 0.000 1.310 30 E HN 0.140 nan 8.360 nan 0.000 0.413 31 T N 1.553 116.101 114.554 -0.011 0.000 2.520 31 T HA 0.002 4.335 4.350 -0.030 0.000 0.258 31 T C 1.025 175.538 174.700 -0.311 0.000 1.125 31 T CA 0.850 62.880 62.100 -0.116 0.000 1.206 31 T CB 0.159 68.882 68.868 -0.242 0.000 0.864 31 T HN 0.339 nan 8.240 nan 0.000 0.400 32 I N 0.971 121.334 120.570 -0.346 0.000 2.649 32 I HA 0.282 4.435 4.170 -0.030 0.000 0.289 32 I C -1.736 174.228 176.117 -0.256 0.000 1.222 32 I CA -0.766 60.332 61.300 -0.337 0.000 1.046 32 I CB 2.220 39.910 38.000 -0.517 0.000 1.272 32 I HN 0.068 nan 8.210 nan 0.000 0.425 33 N N 5.152 123.736 118.700 -0.194 0.000 2.422 33 N HA 0.210 4.932 4.740 -0.030 0.000 0.266 33 N C 0.649 176.021 175.510 -0.230 0.000 1.007 33 N CA -0.508 52.429 53.050 -0.189 0.000 0.941 33 N CB 0.724 39.092 38.487 -0.199 0.000 1.115 33 N HN 0.534 nan 8.380 nan 0.000 0.492 34 Y N 3.621 123.822 120.300 -0.166 0.000 2.029 34 Y HA -0.411 4.121 4.550 -0.030 0.000 0.269 34 Y C 2.236 178.117 175.900 -0.030 0.000 1.201 34 Y CA 2.084 60.115 58.100 -0.114 0.000 1.115 34 Y CB -0.522 37.897 38.460 -0.068 0.000 0.945 34 Y HN 0.593 nan 8.280 nan 0.000 0.497 35 R N 0.997 121.114 120.500 -0.638 0.000 2.140 35 R HA -0.128 4.194 4.340 -0.030 0.000 0.250 35 R C -0.208 176.045 176.300 -0.078 0.000 1.150 35 R CA 1.973 57.927 56.100 -0.242 0.000 0.966 35 R CB -1.012 29.064 30.300 -0.374 0.000 0.869 35 R HN 0.417 nan 8.270 nan 0.000 0.445 36 T N 1.127 115.611 114.554 -0.118 0.000 2.840 36 T HA 0.345 4.678 4.350 -0.030 0.000 0.287 36 T C 0.475 175.145 174.700 -0.051 0.000 0.991 36 T CA -0.705 61.364 62.100 -0.053 0.000 0.964 36 T CB 1.787 70.619 68.868 -0.060 0.000 0.954 36 T HN 0.148 nan 8.240 nan 0.000 0.438 37 L N 1.547 122.770 121.223 -0.001 0.000 2.814 37 L HA 0.026 4.348 4.340 -0.030 0.000 0.248 37 L C 1.118 177.954 176.870 -0.057 0.000 1.169 37 L CA 0.800 55.632 54.840 -0.012 0.000 0.872 37 L CB -0.946 41.155 42.059 0.070 0.000 1.029 37 L HN 0.414 nan 8.230 nan 0.000 0.452 38 K N 0.541 120.907 120.400 -0.056 0.000 2.126 38 K HA 0.293 4.595 4.320 -0.030 0.000 0.257 38 K C -2.140 174.423 176.600 -0.062 0.000 1.007 38 K CA -1.976 54.286 56.287 -0.042 0.000 0.928 38 K CB 0.316 32.801 32.500 -0.025 0.000 1.013 38 K HN -0.225 nan 8.250 nan 0.000 0.473 39 P HA -0.127 nan 4.420 nan 0.000 0.263 39 P C 0.030 177.329 177.300 -0.002 0.000 1.175 39 P CA 0.536 63.656 63.100 0.033 0.000 0.761 39 P CB 0.670 32.435 31.700 0.109 0.000 0.794 40 E N 4.747 124.941 120.200 -0.011 0.000 2.002 40 E HA -0.089 4.243 4.350 -0.030 0.000 0.196 40 E C 1.094 177.688 176.600 -0.009 0.000 0.974 40 E CA 1.454 57.836 56.400 -0.030 0.000 0.853 40 E CB 0.008 29.684 29.700 -0.040 0.000 0.808 40 E HN 0.446 nan 8.360 nan 0.000 0.492 41 R N -0.813 119.690 120.500 0.005 0.000 3.237 41 R HA 0.343 4.665 4.340 -0.030 0.000 0.193 41 R C 1.335 177.647 176.300 0.020 0.000 1.551 41 R CA -0.090 56.013 56.100 0.005 0.000 0.855 41 R CB -0.759 29.539 30.300 -0.003 0.000 2.062 41 R HN -0.064 nan 8.270 nan 0.000 0.507 42 D N 0.769 121.176 120.400 0.011 0.000 2.149 42 D HA -0.082 4.541 4.640 -0.030 0.000 0.194 42 D C 1.051 177.377 176.300 0.044 0.000 1.001 42 D CA 1.804 55.812 54.000 0.013 0.000 0.849 42 D CB -0.999 39.795 40.800 -0.009 0.000 0.939 42 D HN 0.669 nan 8.370 nan 0.000 0.449 43 G N 0.749 109.581 108.800 0.053 0.000 4.071 43 G HA2 -0.271 3.671 3.960 -0.030 0.000 0.898 43 G HA3 -0.271 3.671 3.960 -0.030 0.000 0.898 43 G C 1.290 176.279 174.900 0.148 0.000 1.343 43 G CA 0.196 45.351 45.100 0.092 0.000 0.944 43 G HN 0.301 nan 8.290 nan 0.000 0.570 44 L N -0.834 120.476 121.223 0.145 0.000 2.043 44 L HA -0.030 4.293 4.340 -0.030 0.000 0.212 44 L C 1.222 177.992 176.870 -0.167 0.000 1.075 44 L CA 1.196 56.025 54.840 -0.018 0.000 0.752 44 L CB -0.356 41.637 42.059 -0.110 0.000 0.891 44 L HN 0.339 nan 8.230 nan 0.000 0.432 45 F N -0.045 119.871 119.950 -0.057 0.000 2.313 45 F HA 0.352 4.861 4.527 -0.030 0.000 0.369 45 F C -0.252 175.572 175.800 0.040 0.000 1.109 45 F CA -0.862 57.113 58.000 -0.042 0.000 1.132 45 F CB 0.885 39.835 39.000 -0.082 0.000 1.291 45 F HN -0.107 nan 8.300 nan 0.000 0.496 46 D N 1.937 122.487 120.400 0.250 0.000 2.966 46 D HA 0.123 4.745 4.640 -0.030 0.000 0.222 46 D C 0.583 176.963 176.300 0.133 0.000 1.292 46 D CA -0.424 53.672 54.000 0.159 0.000 0.907 46 D CB 1.278 42.146 40.800 0.113 0.000 1.621 46 D HN 0.500 nan 8.370 nan 0.000 0.557 47 E N 2.863 123.110 120.200 0.079 0.000 2.209 47 E HA -0.232 4.100 4.350 -0.030 0.000 0.196 47 E C 1.600 178.202 176.600 0.003 0.000 0.993 47 E CA 0.577 57.004 56.400 0.044 0.000 0.819 47 E CB 0.215 29.935 29.700 0.033 0.000 0.745 47 E HN 0.461 nan 8.360 nan 0.000 0.477 48 R N 1.216 121.711 120.500 -0.008 0.000 2.056 48 R HA -0.068 4.255 4.340 -0.030 0.000 0.227 48 R C 2.574 178.816 176.300 -0.096 0.000 1.149 48 R CA 1.099 57.179 56.100 -0.032 0.000 0.937 48 R CB -0.235 30.051 30.300 -0.023 0.000 0.835 48 R HN 0.086 nan 8.270 nan 0.000 0.430 49 I N -0.123 120.349 120.570 -0.164 0.000 2.145 49 I HA -0.315 3.837 4.170 -0.030 0.000 0.244 49 I C 1.609 177.288 176.117 -0.731 0.000 1.075 49 I CA 1.747 62.785 61.300 -0.437 0.000 1.332 49 I CB -0.188 37.471 38.000 -0.569 0.000 1.033 49 I HN 0.225 nan 8.210 nan 0.000 0.410 50 F N -0.700 119.143 119.950 -0.178 0.000 2.637 50 F HA 0.428 4.938 4.527 -0.030 0.000 0.284 50 F C 1.066 176.696 175.800 -0.283 0.000 1.105 50 F CA 0.496 58.337 58.000 -0.265 0.000 1.356 50 F CB 0.662 39.523 39.000 -0.232 0.000 1.096 50 F HN 0.079 nan 8.300 nan 0.000 0.616 51 G N -0.485 108.299 108.800 -0.027 0.000 2.356 51 G HA2 0.261 4.203 3.960 -0.030 0.000 0.300 51 G HA3 0.261 4.203 3.960 -0.030 0.000 0.300 51 G C -3.224 171.664 174.900 -0.021 0.000 1.331 51 G CA -1.180 43.880 45.100 -0.066 0.000 0.905 51 G HN -0.305 nan 8.290 nan 0.000 0.587 52 P HA 0.437 nan 4.420 nan 0.000 0.273 52 P C 0.705 178.003 177.300 -0.004 0.000 1.250 52 P CA -0.417 62.680 63.100 -0.006 0.000 0.793 52 P CB 1.071 32.766 31.700 -0.008 0.000 1.011 53 I N -1.207 119.370 120.570 0.011 0.000 4.057 53 I HA 0.191 4.343 4.170 -0.030 0.000 0.334 53 I C 0.736 176.856 176.117 0.004 0.000 1.308 53 I CA 0.459 61.767 61.300 0.013 0.000 1.125 53 I CB 0.084 38.102 38.000 0.031 0.000 1.034 53 I HN 0.113 nan 8.210 nan 0.000 0.401 54 K N -0.120 120.282 120.400 0.004 0.000 2.313 54 K HA 0.281 4.583 4.320 -0.030 0.000 0.235 54 K C 0.170 176.759 176.600 -0.017 0.000 1.035 54 K CA -0.451 55.838 56.287 0.004 0.000 0.868 54 K CB 1.412 33.928 32.500 0.027 0.000 1.232 54 K HN -0.099 nan 8.250 nan 0.000 0.459 55 D N 0.217 120.610 120.400 -0.012 0.000 2.174 55 D HA -0.212 4.411 4.640 -0.030 0.000 0.215 55 D C 1.099 177.354 176.300 -0.075 0.000 1.021 55 D CA 1.860 55.834 54.000 -0.044 0.000 0.910 55 D CB -0.193 40.611 40.800 0.007 0.000 1.142 55 D HN 0.458 nan 8.370 nan 0.000 0.473 56 Y N 0.450 120.751 120.300 0.002 0.000 2.444 56 Y HA 0.193 4.725 4.550 -0.030 0.000 0.249 56 Y C 0.421 176.339 175.900 0.030 0.000 1.134 56 Y CA -0.346 57.759 58.100 0.008 0.000 1.261 56 Y CB 0.718 39.172 38.460 -0.009 0.000 1.143 56 Y HN -0.080 nan 8.280 nan 0.000 0.523 57 E N -0.231 120.079 120.200 0.183 0.000 2.392 57 E HA 0.060 4.392 4.350 -0.030 0.000 0.256 57 E C -0.572 176.103 176.600 0.125 0.000 1.145 57 E CA -0.203 56.285 56.400 0.146 0.000 0.929 57 E CB 1.321 31.081 29.700 0.101 0.000 0.998 57 E HN 0.139 nan 8.360 nan 0.000 0.442 58 C N -0.167 119.211 119.300 0.130 0.000 2.484 58 C HA 0.587 5.029 4.460 -0.030 0.000 0.409 58 C C 1.773 176.810 174.990 0.080 0.000 1.434 58 C CA 0.245 59.328 59.018 0.107 0.000 1.913 58 C CB 0.652 28.475 27.740 0.138 0.000 2.028 58 C HN 0.867 nan 8.230 nan 0.000 0.516 59 A N 0.295 123.153 122.820 0.064 0.000 1.841 59 A HA -0.127 4.175 4.320 -0.030 0.000 0.214 59 A C 2.237 179.851 177.584 0.051 0.000 1.195 59 A CA 2.236 54.302 52.037 0.049 0.000 0.611 59 A CB -1.428 17.596 19.000 0.039 0.000 0.835 59 A HN 1.311 nan 8.150 nan 0.000 0.443 60 C N -1.774 117.561 119.300 0.059 0.000 2.485 60 C HA 0.464 4.906 4.460 -0.030 0.000 0.278 60 C C 2.010 177.040 174.990 0.067 0.000 1.356 60 C CA 0.984 60.035 59.018 0.056 0.000 1.747 60 C CB -0.475 27.298 27.740 0.054 0.000 2.001 60 C HN 1.718 nan 8.230 nan 0.000 0.501 61 G N 0.722 109.580 108.800 0.097 0.000 2.163 61 G HA2 -0.180 3.763 3.960 -0.030 0.000 0.213 61 G HA3 -0.180 3.763 3.960 -0.030 0.000 0.213 61 G C 0.878 175.845 174.900 0.112 0.000 0.991 61 G CA 0.405 45.566 45.100 0.102 0.000 0.653 61 G HN 0.408 nan 8.290 nan 0.000 0.518 62 K N -0.709 119.779 120.400 0.147 0.000 2.063 62 K HA -0.025 4.277 4.320 -0.030 0.000 0.208 62 K C 0.188 176.791 176.600 0.006 0.000 1.048 62 K CA 1.221 57.563 56.287 0.092 0.000 0.928 62 K CB -0.154 32.484 32.500 0.230 0.000 0.713 62 K HN 0.520 nan 8.250 nan 0.000 0.442 63 Y N -0.139 120.237 120.300 0.127 0.000 2.361 63 Y HA 0.261 4.793 4.550 -0.030 0.000 0.337 63 Y C 0.860 176.929 175.900 0.281 0.000 0.965 63 Y CA -0.709 57.577 58.100 0.310 0.000 1.091 63 Y CB 1.928 40.571 38.460 0.304 0.000 1.182 63 Y HN -0.207 nan 8.280 nan 0.000 0.450 64 K N 0.880 121.494 120.400 0.356 0.000 2.502 64 K HA 0.216 4.518 4.320 -0.030 0.000 0.211 64 K C 0.656 177.265 176.600 0.015 0.000 1.259 64 K CA -0.235 56.151 56.287 0.164 0.000 0.983 64 K CB 0.857 33.419 32.500 0.103 0.000 1.054 64 K HN 0.318 nan 8.250 nan 0.000 0.572 65 R N 1.189 121.566 120.500 -0.205 0.000 2.602 65 R HA 0.167 4.489 4.340 -0.030 0.000 0.237 65 R C 1.242 177.165 176.300 -0.628 0.000 1.219 65 R CA 0.029 55.886 56.100 -0.406 0.000 1.121 65 R CB 0.457 30.471 30.300 -0.476 0.000 1.408 65 R HN -0.065 nan 8.270 nan 0.000 0.559 66 Q N 0.266 119.627 119.800 -0.732 0.000 2.020 66 Q HA -0.167 4.155 4.340 -0.030 0.000 0.198 66 Q C 1.433 177.071 176.000 -0.603 0.000 0.974 66 Q CA 1.339 56.561 55.803 -0.968 0.000 0.829 66 Q CB 0.004 28.265 28.738 -0.795 0.000 0.894 66 Q HN 0.347 nan 8.270 nan 0.000 0.433 67 R N 0.451 120.636 120.500 -0.525 0.000 2.259 67 R HA -0.216 4.106 4.340 -0.030 0.000 0.247 67 R C 0.462 176.720 176.300 -0.069 0.000 1.114 67 R CA 2.119 58.037 56.100 -0.303 0.000 0.926 67 R CB -1.070 29.027 30.300 -0.338 0.000 0.937 67 R HN 0.311 nan 8.270 nan 0.000 0.434 68 F N 0.604 120.546 119.950 -0.013 0.000 2.679 68 F HA 0.149 4.658 4.527 -0.029 0.000 0.351 68 F C 1.421 177.225 175.800 0.008 0.000 1.279 68 F CA -0.327 57.691 58.000 0.031 0.000 1.227 68 F CB 0.029 39.107 39.000 0.130 0.000 1.623 68 F HN 0.190 nan 8.300 nan 0.000 0.666 69 E N 1.627 121.899 120.200 0.119 0.000 2.385 69 E HA 0.036 4.369 4.350 -0.030 0.000 0.194 69 E C 1.800 178.509 176.600 0.183 0.000 1.013 69 E CA 0.417 56.902 56.400 0.141 0.000 0.866 69 E CB 0.316 30.071 29.700 0.093 0.000 0.832 69 E HN 0.797 nan 8.360 nan 0.000 0.500 70 G N 0.781 109.660 108.800 0.131 0.000 3.651 70 G HA2 0.100 4.042 3.960 -0.030 0.000 0.267 70 G HA3 0.100 4.042 3.960 -0.030 0.000 0.267 70 G C -0.101 174.833 174.900 0.056 0.000 1.009 70 G CA -0.398 44.760 45.100 0.096 0.000 0.866 70 G HN -0.079 nan 8.290 nan 0.000 0.488 71 K N 0.470 120.895 120.400 0.041 0.000 2.098 71 K HA 0.661 4.963 4.320 -0.030 0.000 0.261 71 K C -1.057 175.473 176.600 -0.117 0.000 0.987 71 K CA -0.683 55.577 56.287 -0.045 0.000 0.916 71 K CB 2.966 35.421 32.500 -0.074 0.000 1.039 71 K HN -0.094 nan 8.250 nan 0.000 0.455 72 V N 1.457 121.282 119.914 -0.148 0.000 2.732 72 V HA 0.146 4.248 4.120 -0.030 0.000 0.310 72 V C -0.452 175.477 176.094 -0.274 0.000 1.053 72 V CA -0.795 61.410 62.300 -0.159 0.000 0.957 72 V CB 1.800 33.580 31.823 -0.071 0.000 1.018 72 V HN 0.921 nan 8.190 nan 0.000 0.452 73 C N 4.274 123.434 119.300 -0.235 0.000 2.585 73 C HA 0.204 4.646 4.460 -0.030 0.000 0.406 73 C C 1.733 176.681 174.990 -0.069 0.000 1.312 73 C CA -0.367 58.527 59.018 -0.207 0.000 1.924 73 C CB -0.247 27.462 27.740 -0.051 0.000 2.578 73 C HN 1.092 nan 8.230 nan 0.000 0.580 74 E N 2.194 122.380 120.200 -0.023 0.000 2.082 74 E HA -0.301 4.031 4.350 -0.030 0.000 0.215 74 E C 1.656 178.265 176.600 0.016 0.000 1.048 74 E CA 1.809 58.218 56.400 0.016 0.000 0.869 74 E CB -0.109 29.633 29.700 0.069 0.000 0.773 74 E HN 0.585 nan 8.360 nan 0.000 0.466 75 R N -1.132 119.389 120.500 0.035 0.000 2.223 75 R HA 0.265 4.588 4.340 -0.030 0.000 0.198 75 R C -0.056 176.255 176.300 0.018 0.000 0.984 75 R CA 0.401 56.515 56.100 0.024 0.000 1.018 75 R CB 0.455 30.773 30.300 0.030 0.000 0.945 75 R HN 0.221 nan 8.270 nan 0.000 0.479 76 C N -0.140 119.172 119.300 0.021 0.000 2.608 76 C HA 0.706 5.148 4.460 -0.030 0.000 0.325 76 C C 0.134 175.126 174.990 0.004 0.000 1.147 76 C CA -1.004 58.023 59.018 0.014 0.000 1.359 76 C CB 0.982 28.737 27.740 0.025 0.000 1.912 76 C HN 0.555 nan 8.230 nan 0.000 0.466 77 G N 3.624 112.423 108.800 -0.001 0.000 2.356 77 G HA2 0.529 4.471 3.960 -0.030 0.000 0.273 77 G HA3 0.529 4.471 3.960 -0.030 0.000 0.273 77 G C -0.837 174.063 174.900 -0.000 0.000 1.213 77 G CA 0.095 45.192 45.100 -0.006 0.000 0.955 77 G HN 1.126 nan 8.290 nan 0.000 0.454 78 V N 3.151 123.062 119.914 -0.005 0.000 2.770 78 V HA 0.175 4.277 4.120 -0.030 0.000 0.280 78 V C -0.267 175.832 176.094 0.007 0.000 1.189 78 V CA -0.885 61.419 62.300 0.007 0.000 0.932 78 V CB 1.412 33.251 31.823 0.027 0.000 1.065 78 V HN 0.926 nan 8.190 nan 0.000 0.462 79 E N 3.072 123.280 120.200 0.013 0.000 2.239 79 E HA 0.861 5.193 4.350 -0.030 0.000 0.261 79 E C -1.613 175.012 176.600 0.042 0.000 1.016 79 E CA -0.564 55.855 56.400 0.032 0.000 0.882 79 E CB 2.583 32.306 29.700 0.038 0.000 1.190 79 E HN 0.560 nan 8.360 nan 0.000 0.415 80 V N 1.061 121.019 119.914 0.074 0.000 3.036 80 V HA 0.378 4.481 4.120 -0.030 0.000 0.280 80 V C -1.562 174.486 176.094 -0.077 0.000 1.497 80 V CA -0.271 62.038 62.300 0.015 0.000 0.982 80 V CB 2.037 33.886 31.823 0.043 0.000 1.171 80 V HN 0.805 nan 8.190 nan 0.000 0.444 81 T N 4.698 119.107 114.554 -0.242 0.000 2.907 81 T HA 0.516 4.848 4.350 -0.030 0.000 0.290 81 T C -0.406 174.050 174.700 -0.407 0.000 1.066 81 T CA -0.742 61.077 62.100 -0.468 0.000 1.012 81 T CB 1.859 70.592 68.868 -0.225 0.000 1.184 81 T HN 0.864 nan 8.240 nan 0.000 0.522 82 K N 0.651 120.810 120.400 -0.401 0.000 2.274 82 K HA 0.076 4.378 4.320 -0.030 0.000 0.255 82 K C 1.526 178.019 176.600 -0.178 0.000 1.005 82 K CA -0.013 56.124 56.287 -0.249 0.000 0.864 82 K CB 0.078 32.463 32.500 -0.191 0.000 1.013 82 K HN 0.521 nan 8.250 nan 0.000 0.519 83 S N 0.792 116.412 115.700 -0.133 0.000 2.453 83 S HA -0.251 4.201 4.470 -0.030 0.000 0.250 83 S C 1.832 176.335 174.600 -0.162 0.000 1.044 83 S CA 1.898 60.028 58.200 -0.116 0.000 1.010 83 S CB -0.931 62.216 63.200 -0.087 0.000 0.793 83 S HN 0.664 nan 8.310 nan 0.000 0.493 84 I N 0.515 120.966 120.570 -0.199 0.000 2.208 84 I HA -0.191 3.961 4.170 -0.030 0.000 0.245 84 I C 2.130 178.042 176.117 -0.342 0.000 1.097 84 I CA 1.640 62.756 61.300 -0.307 0.000 1.363 84 I CB -1.188 36.640 38.000 -0.286 0.000 1.051 84 I HN 0.246 nan 8.210 nan 0.000 0.413 85 V N 0.802 120.594 119.914 -0.203 0.000 2.324 85 V HA -0.308 3.794 4.120 -0.030 0.000 0.250 85 V C 2.914 178.928 176.094 -0.133 0.000 1.060 85 V CA 2.444 64.668 62.300 -0.126 0.000 1.042 85 V CB -1.509 30.264 31.823 -0.084 0.000 0.650 85 V HN 0.548 nan 8.190 nan 0.000 0.450 86 R N 1.548 121.965 120.500 -0.138 0.000 2.139 86 R HA -0.260 4.062 4.340 -0.030 0.000 0.243 86 R C 2.552 178.779 176.300 -0.122 0.000 1.145 86 R CA 2.193 58.229 56.100 -0.105 0.000 0.976 86 R CB -0.272 29.976 30.300 -0.087 0.000 0.866 86 R HN 0.768 nan 8.270 nan 0.000 0.449 87 R N -0.538 119.844 120.500 -0.197 0.000 2.056 87 R HA -0.136 4.186 4.340 -0.030 0.000 0.227 87 R C 1.597 177.856 176.300 -0.068 0.000 1.149 87 R CA 1.818 57.800 56.100 -0.196 0.000 0.937 87 R CB -1.168 28.950 30.300 -0.304 0.000 0.835 87 R HN 0.348 nan 8.270 nan 0.000 0.430 88 Y N 1.172 121.448 120.300 -0.040 0.000 2.749 88 Y HA 0.036 4.568 4.550 -0.030 0.000 0.321 88 Y C 0.407 176.305 175.900 -0.002 0.000 1.195 88 Y CA -0.499 57.587 58.100 -0.024 0.000 1.338 88 Y CB -0.150 38.297 38.460 -0.021 0.000 1.017 88 Y HN 0.021 nan 8.280 nan 0.000 0.517 89 R N 0.493 121.071 120.500 0.130 0.000 2.598 89 R HA 0.548 4.870 4.340 -0.030 0.000 0.279 89 R C -0.413 176.036 176.300 0.250 0.000 0.984 89 R CA -0.528 55.632 56.100 0.101 0.000 0.999 89 R CB 1.296 31.479 30.300 -0.195 0.000 1.114 89 R HN 0.061 nan 8.270 nan 0.000 0.493 90 M N 0.665 120.442 119.600 0.294 0.000 2.456 90 M HA 0.462 4.924 4.480 -0.030 0.000 0.324 90 M C -0.090 176.372 176.300 0.270 0.000 1.124 90 M CA -0.720 54.801 55.300 0.369 0.000 0.959 90 M CB 2.477 35.288 32.600 0.352 0.000 1.692 90 M HN 0.788 nan 8.290 nan 0.000 0.444 91 G N 1.327 110.277 108.800 0.251 0.000 2.519 91 G HA2 0.728 4.670 3.960 -0.030 0.000 0.307 91 G HA3 0.728 4.670 3.960 -0.030 0.000 0.307 91 G C -1.469 173.503 174.900 0.120 0.000 1.266 91 G CA -0.414 44.635 45.100 -0.084 0.000 0.970 91 G HN 0.841 nan 8.290 nan 0.000 0.481 92 H N -0.206 118.853 119.070 -0.018 0.000 2.679 92 H HA 0.587 5.126 4.556 -0.030 0.000 0.367 92 H C -1.192 174.128 175.328 -0.014 0.000 1.162 92 H CA -1.144 54.901 56.048 -0.004 0.000 1.181 92 H CB 1.897 31.625 29.762 -0.057 0.000 1.693 92 H HN 0.296 nan 8.280 nan 0.000 0.538 93 I N 1.781 122.361 120.570 0.016 0.000 2.331 93 I HA 0.045 4.197 4.170 -0.030 0.000 0.292 93 I C 0.044 176.190 176.117 0.049 0.000 0.998 93 I CA -0.451 60.841 61.300 -0.013 0.000 1.267 93 I CB 1.295 39.322 38.000 0.045 0.000 1.386 93 I HN 0.547 nan 8.210 nan 0.000 0.476 94 E N 6.648 126.865 120.200 0.029 0.000 2.001 94 E HA 0.299 4.631 4.350 -0.030 0.000 0.279 94 E C -0.627 175.979 176.600 0.009 0.000 1.045 94 E CA -0.291 56.140 56.400 0.052 0.000 0.833 94 E CB 0.536 30.268 29.700 0.055 0.000 1.077 94 E HN 0.427 nan 8.360 nan 0.000 0.397 95 L N 3.134 124.357 121.223 -0.001 0.000 2.485 95 L HA 0.017 4.339 4.340 -0.030 0.000 0.275 95 L C 1.352 178.207 176.870 -0.024 0.000 1.207 95 L CA 0.011 54.842 54.840 -0.015 0.000 0.855 95 L CB 0.731 42.773 42.059 -0.029 0.000 1.114 95 L HN 0.731 nan 8.230 nan 0.000 0.485 96 A N 3.175 125.980 122.820 -0.025 0.000 1.822 96 A HA -0.041 4.261 4.320 -0.030 0.000 0.214 96 A C 0.919 178.480 177.584 -0.039 0.000 1.245 96 A CA 1.177 53.196 52.037 -0.029 0.000 0.608 96 A CB -0.283 18.701 19.000 -0.027 0.000 0.896 96 A HN 0.663 nan 8.150 nan 0.000 0.457 97 T N 1.354 115.879 114.554 -0.047 0.000 2.779 97 T HA 0.538 4.870 4.350 -0.030 0.000 0.280 97 T C -2.596 172.060 174.700 -0.074 0.000 0.987 97 T CA -0.935 61.129 62.100 -0.060 0.000 0.966 97 T CB 1.369 70.199 68.868 -0.064 0.000 0.933 97 T HN 0.115 nan 8.240 nan 0.000 0.442 98 P HA 0.297 nan 4.420 nan 0.000 0.269 98 P C -1.077 176.148 177.300 -0.126 0.000 1.200 98 P CA 0.007 63.050 63.100 -0.094 0.000 0.779 98 P CB 0.430 32.074 31.700 -0.094 0.000 0.841 99 A N 0.216 122.964 122.820 -0.120 0.000 2.588 99 A HA 0.850 5.152 4.320 -0.030 0.000 0.290 99 A C -1.522 176.012 177.584 -0.083 0.000 1.136 99 A CA -0.082 51.871 52.037 -0.140 0.000 0.681 99 A CB 1.446 20.380 19.000 -0.111 0.000 1.282 99 A HN 0.570 nan 8.150 nan 0.000 0.421 100 A N -0.692 122.119 122.820 -0.016 0.000 2.527 100 A HA 0.706 5.008 4.320 -0.030 0.000 0.293 100 A C -0.631 177.062 177.584 0.182 0.000 1.117 100 A CA -0.504 51.590 52.037 0.095 0.000 0.723 100 A CB 0.477 19.594 19.000 0.196 0.000 1.313 100 A HN 1.046 nan 8.150 nan 0.000 0.411 101 H N 0.900 119.981 119.070 0.017 0.000 3.145 101 H HA 0.100 4.638 4.556 -0.030 0.000 0.288 101 H C 0.944 176.328 175.328 0.094 0.000 0.969 101 H CA 0.075 56.095 56.048 -0.047 0.000 1.444 101 H CB 0.360 29.936 29.762 -0.310 0.000 1.500 101 H HN 0.583 nan 8.280 nan 0.000 0.552 102 I N 4.543 125.243 120.570 0.217 0.000 2.226 102 I HA -0.327 3.826 4.170 -0.030 0.000 0.245 102 I C 1.462 177.664 176.117 0.142 0.000 1.100 102 I CA 0.751 62.163 61.300 0.187 0.000 1.374 102 I CB -0.117 38.008 38.000 0.209 0.000 1.057 102 I HN 0.783 nan 8.210 nan 0.000 0.413 103 W N 0.661 121.743 121.300 -0.364 0.000 2.296 103 W HA -0.273 4.369 4.660 -0.030 0.000 0.296 103 W C 2.235 178.856 176.519 0.170 0.000 1.220 103 W CA 1.666 58.853 57.345 -0.264 0.000 1.223 103 W CB -0.723 28.340 29.460 -0.662 0.000 1.139 103 W HN 0.152 nan 8.180 nan 0.000 0.534 104 F N -2.868 117.142 119.950 0.100 0.000 2.622 104 F HA -0.039 4.470 4.527 -0.030 0.000 0.288 104 F C 1.852 177.691 175.800 0.066 0.000 1.120 104 F CA 0.116 58.181 58.000 0.109 0.000 1.423 104 F CB -0.322 38.800 39.000 0.203 0.000 1.127 104 F HN -0.396 nan 8.300 nan 0.000 0.588 105 V N -0.472 119.601 119.914 0.265 0.000 2.649 105 V HA -0.093 4.009 4.120 -0.030 0.000 0.248 105 V C 1.671 177.765 176.094 0.000 0.000 1.054 105 V CA 1.351 63.700 62.300 0.081 0.000 1.073 105 V CB -0.236 31.581 31.823 -0.010 0.000 0.699 105 V HN 0.077 nan 8.190 nan 0.000 0.463 106 K N 0.037 120.457 120.400 0.033 0.000 2.414 106 K HA 0.246 4.548 4.320 -0.030 0.000 0.204 106 K C -0.202 176.371 176.600 -0.045 0.000 1.026 106 K CA -0.141 56.135 56.287 -0.018 0.000 1.108 106 K CB 0.052 32.547 32.500 -0.008 0.000 0.855 106 K HN 0.422 nan 8.250 nan 0.000 0.517 107 D N -0.244 120.124 120.400 -0.054 0.000 2.382 107 D HA -0.021 4.601 4.640 -0.030 0.000 0.240 107 D C 1.586 177.799 176.300 -0.146 0.000 1.146 107 D CA 0.011 53.925 54.000 -0.143 0.000 0.897 107 D CB 1.284 41.962 40.800 -0.203 0.000 1.197 107 D HN -0.289 nan 8.370 nan 0.000 0.432 108 V N 2.752 122.560 119.914 -0.176 0.000 2.222 108 V HA -0.167 3.935 4.120 -0.030 0.000 0.252 108 V C -1.491 174.532 176.094 -0.119 0.000 1.060 108 V CA 1.510 63.731 62.300 -0.132 0.000 1.027 108 V CB -1.497 30.248 31.823 -0.131 0.000 0.644 108 V HN 0.720 nan 8.190 nan 0.000 0.448 109 P HA 0.162 nan 4.420 nan 0.000 0.276 109 P C -0.502 176.743 177.300 -0.091 0.000 1.253 109 P CA 0.444 63.479 63.100 -0.109 0.000 0.766 109 P CB 0.699 32.325 31.700 -0.123 0.000 0.845 110 S N 3.450 119.120 115.700 -0.051 0.000 2.465 110 S HA 0.046 4.498 4.470 -0.030 0.000 0.280 110 S C 1.202 175.803 174.600 0.001 0.000 1.232 110 S CA -0.281 57.907 58.200 -0.021 0.000 1.066 110 S CB -0.093 63.103 63.200 -0.008 0.000 0.929 110 S HN 0.248 nan 8.310 nan 0.000 0.494 111 K N 3.459 123.863 120.400 0.006 0.000 2.283 111 K HA -0.086 4.216 4.320 -0.030 0.000 0.202 111 K C 1.540 178.209 176.600 0.116 0.000 1.048 111 K CA 1.389 57.678 56.287 0.003 0.000 0.948 111 K CB -0.272 32.147 32.500 -0.134 0.000 0.742 111 K HN 0.878 nan 8.250 nan 0.000 0.458 112 I N -3.312 117.350 120.570 0.153 0.000 3.783 112 I HA 0.154 4.306 4.170 -0.030 0.000 0.310 112 I C 1.597 177.790 176.117 0.127 0.000 1.274 112 I CA 0.599 62.005 61.300 0.177 0.000 1.294 112 I CB 0.418 38.574 38.000 0.261 0.000 1.051 112 I HN -0.114 nan 8.210 nan 0.000 0.435 113 G N 0.317 109.170 108.800 0.088 0.000 2.545 113 G HA2 -0.045 3.897 3.960 -0.030 0.000 0.212 113 G HA3 -0.045 3.897 3.960 -0.030 0.000 0.212 113 G C 1.373 176.301 174.900 0.046 0.000 1.144 113 G CA 0.843 45.981 45.100 0.064 0.000 0.813 113 G HN 0.357 nan 8.290 nan 0.000 0.531 114 T N 1.440 116.017 114.554 0.038 0.000 2.777 114 T HA -0.103 4.229 4.350 -0.030 0.000 0.266 114 T C 2.229 176.954 174.700 0.042 0.000 1.040 114 T CA 1.370 63.486 62.100 0.027 0.000 1.141 114 T CB -0.133 68.741 68.868 0.010 0.000 0.868 114 T HN 0.205 nan 8.240 nan 0.000 0.444 115 L N 0.572 121.835 121.223 0.067 0.000 2.071 115 L HA 0.330 4.652 4.340 -0.030 0.000 0.201 115 L C 0.553 177.446 176.870 0.039 0.000 1.076 115 L CA 1.351 56.231 54.840 0.067 0.000 0.755 115 L CB -0.767 41.358 42.059 0.110 0.000 0.915 115 L HN 0.115 nan 8.230 nan 0.000 0.445 116 L N 2.323 123.572 121.223 0.044 0.000 2.407 116 L HA 0.125 4.447 4.340 -0.030 0.000 0.282 116 L C -0.503 176.391 176.870 0.040 0.000 1.110 116 L CA -0.111 54.750 54.840 0.035 0.000 0.863 116 L CB -0.147 41.942 42.059 0.050 0.000 1.207 116 L HN 0.187 nan 8.230 nan 0.000 0.454 117 D N 4.137 124.554 120.400 0.028 0.000 2.398 117 D HA 0.318 4.941 4.640 -0.030 0.000 0.250 117 D C -0.572 175.748 176.300 0.033 0.000 1.287 117 D CA 0.235 54.251 54.000 0.027 0.000 0.992 117 D CB 0.231 41.042 40.800 0.018 0.000 1.071 117 D HN 0.055 nan 8.370 nan 0.000 0.514 118 L N 0.734 121.983 121.223 0.044 0.000 2.333 118 L HA 0.375 4.698 4.340 -0.030 0.000 0.263 118 L C 0.441 177.340 176.870 0.048 0.000 1.014 118 L CA -1.051 53.822 54.840 0.054 0.000 0.820 118 L CB 1.454 43.561 42.059 0.080 0.000 1.352 118 L HN -0.014 nan 8.230 nan 0.000 0.421 119 S N 1.484 117.212 115.700 0.048 0.000 2.946 119 S HA 0.049 4.502 4.470 -0.030 0.000 0.349 119 S C 1.568 176.188 174.600 0.033 0.000 1.189 119 S CA 0.287 58.508 58.200 0.036 0.000 1.285 119 S CB 0.075 63.297 63.200 0.036 0.000 1.010 119 S HN 0.777 nan 8.310 nan 0.000 0.538 120 A N 4.724 127.557 122.820 0.021 0.000 1.935 120 A HA -0.276 4.026 4.320 -0.030 0.000 0.224 120 A C 2.117 179.701 177.584 0.001 0.000 1.324 120 A CA 2.749 54.794 52.037 0.012 0.000 0.686 120 A CB -1.031 17.969 19.000 -0.000 0.000 0.837 120 A HN 0.724 nan 8.150 nan 0.000 0.481 121 T N -3.053 111.498 114.554 -0.005 0.000 2.955 121 T HA 0.168 4.501 4.350 -0.030 0.000 0.251 121 T C 1.599 176.294 174.700 -0.009 0.000 1.002 121 T CA 0.512 62.600 62.100 -0.021 0.000 0.970 121 T CB 0.378 69.228 68.868 -0.030 0.000 1.091 121 T HN 0.412 nan 8.240 nan 0.000 0.495 122 E N 0.938 121.145 120.200 0.011 0.000 2.290 122 E HA 0.249 4.581 4.350 -0.030 0.000 0.197 122 E C 1.930 178.569 176.600 0.065 0.000 0.948 122 E CA 0.079 56.495 56.400 0.027 0.000 0.895 122 E CB 0.184 29.894 29.700 0.016 0.000 0.865 122 E HN 0.335 nan 8.360 nan 0.000 0.486 123 L N 1.324 122.589 121.223 0.071 0.000 2.131 123 L HA -0.184 4.138 4.340 -0.030 0.000 0.210 123 L C 2.042 179.011 176.870 0.166 0.000 1.092 123 L CA 1.437 56.341 54.840 0.107 0.000 0.759 123 L CB 0.044 42.158 42.059 0.091 0.000 0.903 123 L HN 0.081 nan 8.230 nan 0.000 0.435 124 E N -0.676 119.612 120.200 0.147 0.000 2.006 124 E HA -0.310 4.022 4.350 -0.030 0.000 0.192 124 E C 2.084 178.841 176.600 0.262 0.000 0.993 124 E CA 1.341 57.869 56.400 0.213 0.000 0.808 124 E CB -0.160 29.500 29.700 -0.067 0.000 0.764 124 E HN 0.394 nan 8.360 nan 0.000 0.449 125 Q N 0.816 120.691 119.800 0.125 0.000 2.118 125 Q HA -0.218 4.104 4.340 -0.030 0.000 0.211 125 Q C 2.079 178.271 176.000 0.320 0.000 0.998 125 Q CA 1.722 57.641 55.803 0.194 0.000 0.872 125 Q CB -0.519 28.255 28.738 0.061 0.000 0.925 125 Q HN 0.131 nan 8.270 nan 0.000 0.414 126 V N 0.073 120.151 119.914 0.273 0.000 2.231 126 V HA -0.291 3.811 4.120 -0.030 0.000 0.248 126 V C 2.175 178.533 176.094 0.439 0.000 1.054 126 V CA 2.179 64.704 62.300 0.376 0.000 1.015 126 V CB -0.710 31.269 31.823 0.261 0.000 0.638 126 V HN 0.657 nan 8.190 nan 0.000 0.444 127 L N -2.762 118.643 121.223 0.303 0.000 2.307 127 L HA 0.097 4.420 4.340 -0.030 0.000 0.211 127 L C 2.217 179.145 176.870 0.097 0.000 1.099 127 L CA 1.359 56.275 54.840 0.127 0.000 0.816 127 L CB -1.212 40.890 42.059 0.072 0.000 0.952 127 L HN 0.220 nan 8.230 nan 0.000 0.455 128 Y N 0.250 120.594 120.300 0.074 0.000 2.036 128 Y HA -0.182 4.350 4.550 -0.030 0.000 0.273 128 Y C 2.223 178.032 175.900 -0.152 0.000 1.135 128 Y CA 2.663 60.745 58.100 -0.031 0.000 1.106 128 Y CB -0.636 37.885 38.460 0.102 0.000 0.976 128 Y HN 0.152 nan 8.280 nan 0.000 0.483 129 F N -2.313 117.764 119.950 0.211 0.000 2.317 129 F HA 0.047 4.556 4.527 -0.030 0.000 0.293 129 F C 2.005 177.827 175.800 0.037 0.000 1.085 129 F CA 0.765 58.833 58.000 0.114 0.000 1.390 129 F CB -0.560 38.513 39.000 0.122 0.000 1.077 129 F HN -0.147 nan 8.300 nan 0.000 0.517 130 S N -0.416 115.395 115.700 0.185 0.000 3.339 130 S HA 0.303 4.755 4.470 -0.030 0.000 0.221 130 S C 0.720 175.076 174.600 -0.407 0.000 1.059 130 S CA -0.469 57.709 58.200 -0.036 0.000 1.365 130 S CB 0.396 63.696 63.200 0.165 0.000 1.065 130 S HN 0.071 nan 8.310 nan 0.000 0.618 131 K N 0.720 120.499 120.400 -1.034 0.000 2.618 131 K HA 0.228 4.530 4.320 -0.030 0.000 0.207 131 K C -1.223 174.763 176.600 -1.023 0.000 1.058 131 K CA -0.000 55.779 56.287 -0.846 0.000 1.086 131 K CB 0.169 32.373 32.500 -0.493 0.000 0.827 131 K HN 0.400 nan 8.250 nan 0.000 0.481 132 Y N 1.605 121.908 120.300 0.004 0.000 2.627 132 Y HA 0.205 4.737 4.550 -0.030 0.000 0.347 132 Y C 0.616 176.493 175.900 -0.039 0.000 1.099 132 Y CA -0.969 57.125 58.100 -0.011 0.000 1.408 132 Y CB -0.371 38.104 38.460 0.025 0.000 1.247 132 Y HN 0.010 nan 8.280 nan 0.000 0.506 133 I N 4.060 124.568 120.570 -0.102 0.000 2.919 133 I HA -0.074 4.078 4.170 -0.030 0.000 0.303 133 I C 0.058 176.135 176.117 -0.067 0.000 1.221 133 I CA 0.296 61.497 61.300 -0.165 0.000 1.444 133 I CB 0.191 37.973 38.000 -0.364 0.000 1.331 133 I HN 0.340 nan 8.210 nan 0.000 0.572 134 V N 6.016 125.889 119.914 -0.068 0.000 2.409 134 V HA 0.380 4.482 4.120 -0.030 0.000 0.291 134 V C -0.093 175.980 176.094 -0.035 0.000 1.020 134 V CA -0.945 61.340 62.300 -0.025 0.000 0.848 134 V CB 1.460 33.278 31.823 -0.008 0.000 0.990 134 V HN 0.512 nan 8.190 nan 0.000 0.430 135 L N 4.018 125.234 121.223 -0.012 0.000 2.704 135 L HA 0.117 4.439 4.340 -0.030 0.000 0.279 135 L C 1.274 178.144 176.870 -0.000 0.000 1.147 135 L CA 0.387 55.226 54.840 -0.000 0.000 0.994 135 L CB 0.023 42.096 42.059 0.024 0.000 1.332 135 L HN 0.832 nan 8.230 nan 0.000 0.471 136 D N 4.640 125.034 120.400 -0.010 0.000 2.074 136 D HA 0.008 4.630 4.640 -0.030 0.000 0.221 136 D C -1.207 175.094 176.300 0.002 0.000 0.972 136 D CA 0.917 54.911 54.000 -0.010 0.000 0.901 136 D CB -0.445 40.341 40.800 -0.023 0.000 1.047 136 D HN 0.308 nan 8.370 nan 0.000 0.453 137 P HA 0.124 nan 4.420 nan 0.000 0.341 137 P C -0.664 176.652 177.300 0.027 0.000 1.332 137 P CA -0.204 62.905 63.100 0.015 0.000 0.769 137 P CB 0.509 32.219 31.700 0.017 0.000 1.726 138 K N -0.624 119.796 120.400 0.034 0.000 2.380 138 K HA 0.479 4.781 4.320 -0.030 0.000 0.267 138 K C 0.712 177.352 176.600 0.066 0.000 0.990 138 K CA 0.576 56.889 56.287 0.042 0.000 0.946 138 K CB -0.421 32.102 32.500 0.039 0.000 0.937 138 K HN 0.589 nan 8.250 nan 0.000 0.491 139 G N 0.318 109.158 108.800 0.066 0.000 4.677 139 G HA2 0.382 4.324 3.960 -0.030 0.000 0.225 139 G HA3 0.382 4.324 3.960 -0.030 0.000 0.225 139 G C 0.748 175.692 174.900 0.073 0.000 0.876 139 G CA -0.028 45.127 45.100 0.093 0.000 0.652 139 G HN 0.597 nan 8.290 nan 0.000 0.481 140 A N 0.443 123.288 122.820 0.041 0.000 1.997 140 A HA -0.213 4.090 4.320 -0.030 0.000 0.226 140 A C 1.336 178.918 177.584 -0.003 0.000 1.327 140 A CA 1.298 53.323 52.037 -0.020 0.000 0.693 140 A CB -0.494 18.428 19.000 -0.131 0.000 0.832 140 A HN 0.605 nan 8.150 nan 0.000 0.497 141 I N 0.210 120.802 120.570 0.037 0.000 2.720 141 I HA 0.285 4.437 4.170 -0.030 0.000 0.287 141 I C 0.183 176.332 176.117 0.053 0.000 1.090 141 I CA -0.904 60.422 61.300 0.043 0.000 1.384 141 I CB 0.908 38.953 38.000 0.074 0.000 1.420 141 I HN 0.377 nan 8.210 nan 0.000 0.575 142 L N 3.352 124.603 121.223 0.047 0.000 2.439 142 L HA 0.429 4.752 4.340 -0.030 0.000 0.261 142 L C 0.564 177.471 176.870 0.062 0.000 1.153 142 L CA -0.079 54.790 54.840 0.049 0.000 0.808 142 L CB -0.177 41.905 42.059 0.039 0.000 1.126 142 L HN 0.457 nan 8.230 nan 0.000 0.460 143 N N 0.178 118.913 118.700 0.059 0.000 2.407 143 N HA 0.237 4.959 4.740 -0.030 0.000 0.182 143 N C 1.083 176.628 175.510 0.057 0.000 1.079 143 N CA 0.987 54.076 53.050 0.065 0.000 0.882 143 N CB 1.373 39.898 38.487 0.063 0.000 1.106 143 N HN 0.952 nan 8.380 nan 0.000 0.461 144 G N -0.257 108.571 108.800 0.048 0.000 3.897 144 G HA2 0.023 3.966 3.960 -0.030 0.000 0.207 144 G HA3 0.023 3.966 3.960 -0.030 0.000 0.207 144 G C -0.426 174.493 174.900 0.032 0.000 0.872 144 G CA -0.030 45.094 45.100 0.040 0.000 0.872 144 G HN 0.116 nan 8.290 nan 0.000 0.442 145 V N 2.077 122.010 119.914 0.032 0.000 3.155 145 V HA 0.737 4.839 4.120 -0.030 0.000 0.313 145 V C -1.817 174.292 176.094 0.025 0.000 1.162 145 V CA -1.960 60.355 62.300 0.025 0.000 1.048 145 V CB 2.366 34.204 31.823 0.024 0.000 1.092 145 V HN 0.137 nan 8.190 nan 0.000 0.447 146 P HA 0.022 nan 4.420 nan 0.000 0.270 146 P C -0.499 176.816 177.300 0.024 0.000 1.216 146 P CA 0.223 63.333 63.100 0.017 0.000 0.788 146 P CB 0.145 31.851 31.700 0.010 0.000 0.883 147 V N 0.854 120.782 119.914 0.024 0.000 2.720 147 V HA -0.094 4.008 4.120 -0.030 0.000 0.307 147 V C 1.047 177.159 176.094 0.030 0.000 1.071 147 V CA 0.494 62.814 62.300 0.033 0.000 1.199 147 V CB -0.946 30.896 31.823 0.031 0.000 0.900 147 V HN 0.452 nan 8.190 nan 0.000 0.494 148 E N 5.222 125.443 120.200 0.036 0.000 2.003 148 E HA 0.099 4.431 4.350 -0.030 0.000 0.279 148 E C 0.733 177.348 176.600 0.026 0.000 1.132 148 E CA -0.574 55.845 56.400 0.031 0.000 0.888 148 E CB 0.602 30.324 29.700 0.037 0.000 1.056 148 E HN 0.603 nan 8.360 nan 0.000 0.399 149 K N 3.150 123.563 120.400 0.021 0.000 2.020 149 K HA -0.226 4.076 4.320 -0.030 0.000 0.212 149 K C 1.231 177.840 176.600 0.015 0.000 1.050 149 K CA 1.399 57.696 56.287 0.016 0.000 0.929 149 K CB -0.058 32.450 32.500 0.012 0.000 0.714 149 K HN 0.230 nan 8.250 nan 0.000 0.443 150 R N 1.074 121.585 120.500 0.017 0.000 2.690 150 R HA 0.153 4.475 4.340 -0.030 0.000 0.419 150 R C -0.281 176.035 176.300 0.025 0.000 1.090 150 R CA -0.085 56.026 56.100 0.018 0.000 1.064 150 R CB 0.615 30.925 30.300 0.017 0.000 1.391 150 R HN 0.321 nan 8.270 nan 0.000 0.586 151 Q N 0.963 120.780 119.800 0.027 0.000 2.297 151 Q HA 0.447 4.770 4.340 -0.030 0.000 0.269 151 Q C -0.568 175.455 176.000 0.038 0.000 1.051 151 Q CA -0.993 54.831 55.803 0.034 0.000 0.869 151 Q CB 2.515 31.273 28.738 0.034 0.000 1.346 151 Q HN 0.176 nan 8.270 nan 0.000 0.457 152 L N -0.326 120.927 121.223 0.049 0.000 2.333 152 L HA 0.691 5.014 4.340 -0.030 0.000 0.280 152 L C -0.695 176.218 176.870 0.072 0.000 1.004 152 L CA -1.016 53.861 54.840 0.063 0.000 0.820 152 L CB 0.561 42.673 42.059 0.087 0.000 1.247 152 L HN 0.498 nan 8.230 nan 0.000 0.416 153 L N 0.118 121.388 121.223 0.078 0.000 2.286 153 L HA 0.825 5.147 4.340 -0.030 0.000 0.265 153 L C 0.171 177.127 176.870 0.144 0.000 1.012 153 L CA -0.646 54.253 54.840 0.098 0.000 0.818 153 L CB 1.627 43.750 42.059 0.106 0.000 1.337 153 L HN 0.471 nan 8.230 nan 0.000 0.438 154 T N -0.695 113.951 114.554 0.154 0.000 2.902 154 T HA 0.131 4.464 4.350 -0.030 0.000 0.280 154 T C 0.327 175.176 174.700 0.248 0.000 0.992 154 T CA -0.133 62.087 62.100 0.199 0.000 1.015 154 T CB 1.342 70.275 68.868 0.108 0.000 1.044 154 T HN 0.748 nan 8.240 nan 0.000 0.520 155 D N 0.956 121.524 120.400 0.279 0.000 2.133 155 D HA -0.153 4.469 4.640 -0.030 0.000 0.192 155 D C 2.034 178.471 176.300 0.229 0.000 1.001 155 D CA 1.315 55.484 54.000 0.281 0.000 0.844 155 D CB 0.103 41.035 40.800 0.219 0.000 0.944 155 D HN 0.488 nan 8.370 nan 0.000 0.447 156 E N 0.770 121.063 120.200 0.155 0.000 2.051 156 E HA -0.159 4.173 4.350 -0.030 0.000 0.192 156 E C 2.058 178.716 176.600 0.097 0.000 0.991 156 E CA 0.906 57.365 56.400 0.098 0.000 0.799 156 E CB -0.330 29.413 29.700 0.072 0.000 0.748 156 E HN 0.543 nan 8.360 nan 0.000 0.449 157 E N -0.037 120.238 120.200 0.125 0.000 2.152 157 E HA -0.158 4.174 4.350 -0.030 0.000 0.192 157 E C 2.033 178.724 176.600 0.151 0.000 0.983 157 E CA 0.550 57.021 56.400 0.119 0.000 0.818 157 E CB -0.261 29.509 29.700 0.117 0.000 0.758 157 E HN 0.272 nan 8.360 nan 0.000 0.467 158 Y N 2.098 122.434 120.300 0.061 0.000 2.293 158 Y HA -0.095 4.437 4.550 -0.030 0.000 0.291 158 Y C 2.242 178.174 175.900 0.054 0.000 1.137 158 Y CA 1.264 59.399 58.100 0.057 0.000 1.202 158 Y CB -0.116 38.379 38.460 0.057 0.000 0.990 158 Y HN -0.197 nan 8.280 nan 0.000 0.537 159 R N 0.318 120.750 120.500 -0.114 0.000 2.115 159 R HA -0.135 4.187 4.340 -0.030 0.000 0.230 159 R C 1.863 178.106 176.300 -0.095 0.000 1.111 159 R CA 1.562 57.554 56.100 -0.180 0.000 0.976 159 R CB -0.156 30.113 30.300 -0.051 0.000 0.870 159 R HN 0.402 nan 8.270 nan 0.000 0.445 160 E N -0.539 119.643 120.200 -0.031 0.000 2.502 160 E HA -0.066 4.266 4.350 -0.030 0.000 0.194 160 E C 1.047 177.655 176.600 0.013 0.000 1.062 160 E CA 0.015 56.416 56.400 0.001 0.000 0.867 160 E CB 0.351 30.064 29.700 0.022 0.000 0.888 160 E HN 0.178 nan 8.360 nan 0.000 0.510 161 L N -0.179 121.032 121.223 -0.019 0.000 2.362 161 L HA 0.097 4.419 4.340 -0.030 0.000 0.204 161 L C 2.239 179.105 176.870 -0.006 0.000 1.060 161 L CA 0.751 55.601 54.840 0.017 0.000 0.827 161 L CB -0.047 42.056 42.059 0.073 0.000 1.027 161 L HN -0.043 nan 8.230 nan 0.000 0.474 162 R N -1.829 118.608 120.500 -0.105 0.000 2.055 162 R HA -0.179 4.143 4.340 -0.030 0.000 0.226 162 R C 2.112 178.448 176.300 0.061 0.000 1.135 162 R CA 1.491 57.554 56.100 -0.063 0.000 0.959 162 R CB -1.051 29.124 30.300 -0.208 0.000 0.854 162 R HN 0.220 nan 8.270 nan 0.000 0.431 163 Y N 1.495 121.731 120.300 -0.107 0.000 2.571 163 Y HA 0.222 4.754 4.550 -0.030 0.000 0.294 163 Y C 0.679 176.560 175.900 -0.032 0.000 1.141 163 Y CA 0.539 58.599 58.100 -0.066 0.000 1.308 163 Y CB -0.088 38.326 38.460 -0.077 0.000 1.002 163 Y HN 0.549 nan 8.280 nan 0.000 0.551 164 G N -0.070 108.747 108.800 0.028 0.000 2.479 164 G HA2 -0.165 3.778 3.960 -0.030 0.000 0.686 164 G HA3 -0.165 3.778 3.960 -0.030 0.000 0.686 164 G C 0.283 175.166 174.900 -0.029 0.000 1.295 164 G CA -0.292 44.788 45.100 -0.033 0.000 0.922 164 G HN -0.058 nan 8.290 nan 0.000 0.582 165 K N -0.498 119.899 120.400 -0.006 0.000 2.288 165 K HA 0.033 4.335 4.320 -0.030 0.000 0.201 165 K C 0.957 177.498 176.600 -0.099 0.000 1.048 165 K CA 1.428 57.717 56.287 0.003 0.000 0.956 165 K CB 0.117 32.677 32.500 0.100 0.000 0.746 165 K HN 0.546 nan 8.250 nan 0.000 0.461 166 Q N 0.391 120.117 119.800 -0.124 0.000 2.263 166 Q HA 0.118 4.440 4.340 -0.030 0.000 0.266 166 Q C -1.743 174.157 176.000 -0.166 0.000 1.002 166 Q CA -0.218 55.443 55.803 -0.237 0.000 0.790 166 Q CB 1.759 30.327 28.738 -0.284 0.000 1.272 166 Q HN 0.043 nan 8.270 nan 0.000 0.435 167 E N 2.817 122.938 120.200 -0.132 0.000 2.136 167 E HA 0.355 4.687 4.350 -0.030 0.000 0.246 167 E C -1.051 175.533 176.600 -0.028 0.000 1.017 167 E CA -0.220 56.172 56.400 -0.015 0.000 0.883 167 E CB 0.354 30.120 29.700 0.110 0.000 1.199 167 E HN 0.561 nan 8.360 nan 0.000 0.447 168 T N 3.911 118.450 114.554 -0.026 0.000 2.770 168 T HA 0.108 4.440 4.350 -0.030 0.000 0.283 168 T C -0.438 174.278 174.700 0.026 0.000 0.988 168 T CA -0.532 61.556 62.100 -0.020 0.000 0.957 168 T CB 0.499 69.326 68.868 -0.068 0.000 0.930 168 T HN 0.458 nan 8.240 nan 0.000 0.443 169 Y N 2.963 123.209 120.300 -0.091 0.000 2.781 169 Y HA 0.423 4.955 4.550 -0.030 0.000 0.326 169 Y C -2.702 173.139 175.900 -0.097 0.000 1.019 169 Y CA -3.050 55.007 58.100 -0.072 0.000 1.372 169 Y CB -0.244 38.199 38.460 -0.029 0.000 1.260 169 Y HN 0.324 nan 8.280 nan 0.000 0.546 170 P HA 0.005 nan 4.420 nan 0.000 0.257 170 P C -1.043 175.995 177.300 -0.437 0.000 1.227 170 P CA 0.396 63.224 63.100 -0.452 0.000 0.981 170 P CB -0.046 31.388 31.700 -0.444 0.000 1.044 171 L N 3.747 124.644 121.223 -0.542 0.000 2.282 171 L HA 0.726 5.048 4.340 -0.030 0.000 0.288 171 L C -2.477 174.284 176.870 -0.182 0.000 1.033 171 L CA -2.511 52.136 54.840 -0.320 0.000 0.807 171 L CB -0.065 41.795 42.059 -0.331 0.000 1.209 171 L HN 0.063 nan 8.230 nan 0.000 0.423 172 P HA 0.282 nan 4.420 nan 0.000 0.269 172 P C -2.562 174.721 177.300 -0.028 0.000 1.217 172 P CA -0.506 62.569 63.100 -0.041 0.000 0.783 172 P CB -0.226 31.469 31.700 -0.008 0.000 0.898 173 P HA 0.316 nan 4.420 nan 0.000 0.290 173 P C 0.419 177.720 177.300 0.001 0.000 1.275 173 P CA -0.054 63.042 63.100 -0.007 0.000 0.841 173 P CB 1.074 32.771 31.700 -0.005 0.000 1.042 174 G N 1.161 109.962 108.800 0.003 0.000 2.581 174 G HA2 -0.256 3.687 3.960 -0.030 0.000 0.291 174 G HA3 -0.256 3.687 3.960 -0.030 0.000 0.291 174 G C 0.441 175.347 174.900 0.010 0.000 1.277 174 G CA 0.362 45.466 45.100 0.006 0.000 0.959 174 G HN 0.422 nan 8.290 nan 0.000 0.554 175 V N -0.093 119.828 119.914 0.013 0.000 3.426 175 V HA 0.198 4.300 4.120 -0.030 0.000 0.271 175 V C 1.478 177.583 176.094 0.018 0.000 1.530 175 V CA 1.515 63.825 62.300 0.017 0.000 1.021 175 V CB 0.770 32.604 31.823 0.018 0.000 0.824 175 V HN 0.643 nan 8.190 nan 0.000 0.432 176 D N 0.831 121.240 120.400 0.015 0.000 2.840 176 D HA 0.219 4.841 4.640 -0.030 0.000 0.277 176 D C 2.144 178.453 176.300 0.015 0.000 1.066 176 D CA 1.270 55.278 54.000 0.015 0.000 0.979 176 D CB -0.170 40.637 40.800 0.012 0.000 1.157 176 D HN 0.266 nan 8.370 nan 0.000 0.466 177 A N 1.797 124.625 122.820 0.014 0.000 1.848 177 A HA -0.198 4.105 4.320 -0.030 0.000 0.217 177 A C 2.279 179.874 177.584 0.019 0.000 1.220 177 A CA 1.499 53.544 52.037 0.014 0.000 0.645 177 A CB -1.189 17.819 19.000 0.013 0.000 0.842 177 A HN 0.228 nan 8.150 nan 0.000 0.451 178 L N -0.288 120.948 121.223 0.022 0.000 2.217 178 L HA -0.100 4.222 4.340 -0.030 0.000 0.211 178 L C 2.311 179.203 176.870 0.037 0.000 1.107 178 L CA 0.728 55.588 54.840 0.033 0.000 0.783 178 L CB -0.092 41.986 42.059 0.031 0.000 0.919 178 L HN 0.304 nan 8.230 nan 0.000 0.442 179 V N -0.538 119.394 119.914 0.030 0.000 2.759 179 V HA -0.252 3.850 4.120 -0.030 0.000 0.256 179 V C 2.239 178.351 176.094 0.029 0.000 1.080 179 V CA 1.519 63.839 62.300 0.034 0.000 1.101 179 V CB -0.602 31.240 31.823 0.031 0.000 0.698 179 V HN 0.437 nan 8.190 nan 0.000 0.477 180 K N -0.319 120.095 120.400 0.023 0.000 2.078 180 K HA -0.042 4.260 4.320 -0.030 0.000 0.203 180 K C 1.942 178.549 176.600 0.012 0.000 1.043 180 K CA 1.133 57.429 56.287 0.015 0.000 0.960 180 K CB -0.220 32.286 32.500 0.011 0.000 0.761 180 K HN 0.381 nan 8.250 nan 0.000 0.448 181 D N 0.634 121.042 120.400 0.014 0.000 2.123 181 D HA -0.130 4.493 4.640 -0.030 0.000 0.196 181 D C 1.958 178.257 176.300 -0.002 0.000 0.992 181 D CA 1.481 55.484 54.000 0.004 0.000 0.833 181 D CB -0.286 40.522 40.800 0.012 0.000 0.954 181 D HN 0.341 nan 8.370 nan 0.000 0.455 182 G N 0.907 109.727 108.800 0.033 0.000 2.433 182 G HA2 -0.260 3.682 3.960 -0.030 0.000 0.216 182 G HA3 -0.260 3.682 3.960 -0.030 0.000 0.216 182 G C 1.571 176.485 174.900 0.023 0.000 1.186 182 G CA 0.552 45.686 45.100 0.056 0.000 0.779 182 G HN 0.270 nan 8.290 nan 0.000 0.543 183 E N 0.343 120.559 120.200 0.026 0.000 2.038 183 E HA -0.142 4.190 4.350 -0.030 0.000 0.195 183 E C 2.474 179.072 176.600 -0.004 0.000 1.000 183 E CA 1.204 57.613 56.400 0.015 0.000 0.803 183 E CB -0.102 29.607 29.700 0.015 0.000 0.750 183 E HN 0.487 nan 8.360 nan 0.000 0.448 184 E N -0.279 119.915 120.200 -0.010 0.000 2.219 184 E HA -0.162 4.170 4.350 -0.030 0.000 0.198 184 E C 1.299 177.881 176.600 -0.030 0.000 0.998 184 E CA 1.151 57.541 56.400 -0.017 0.000 0.818 184 E CB 0.234 29.924 29.700 -0.017 0.000 0.741 184 E HN 0.123 nan 8.360 nan 0.000 0.477 185 V N -0.804 119.081 119.914 -0.048 0.000 3.276 185 V HA 0.131 4.233 4.120 -0.030 0.000 0.319 185 V C 1.103 177.149 176.094 -0.080 0.000 1.427 185 V CA -0.034 62.221 62.300 -0.076 0.000 1.102 185 V CB 0.828 32.578 31.823 -0.123 0.000 1.020 185 V HN 0.056 nan 8.190 nan 0.000 0.456 186 V N -0.600 119.291 119.914 -0.038 0.000 2.521 186 V HA 0.246 4.348 4.120 -0.030 0.000 0.239 186 V C 1.053 177.149 176.094 0.003 0.000 1.053 186 V CA 0.805 63.101 62.300 -0.007 0.000 1.073 186 V CB 0.290 32.135 31.823 0.038 0.000 0.746 186 V HN 0.342 nan 8.190 nan 0.000 0.476 187 K N 1.226 121.626 120.400 0.000 0.000 2.336 187 K HA 0.286 4.588 4.320 -0.030 0.000 0.290 187 K C 1.123 177.722 176.600 -0.001 0.000 1.067 187 K CA 0.781 57.069 56.287 0.001 0.000 0.962 187 K CB -0.101 32.398 32.500 -0.002 0.000 1.008 187 K HN 0.592 nan 8.250 nan 0.000 0.467 188 G N 2.769 111.570 108.800 0.002 0.000 2.382 188 G HA2 -0.305 3.637 3.960 -0.030 0.000 0.259 188 G HA3 -0.305 3.637 3.960 -0.030 0.000 0.259 188 G C 0.307 175.205 174.900 -0.004 0.000 1.009 188 G CA 0.017 45.118 45.100 0.002 0.000 0.625 188 G HN 0.554 nan 8.290 nan 0.000 0.541 189 Q N 1.973 121.766 119.800 -0.012 0.000 2.320 189 Q HA 0.248 4.570 4.340 -0.030 0.000 0.262 189 Q C 0.153 176.137 176.000 -0.027 0.000 1.225 189 Q CA 0.427 56.216 55.803 -0.023 0.000 0.916 189 Q CB 0.123 28.839 28.738 -0.037 0.000 1.417 189 Q HN 0.656 nan 8.270 nan 0.000 0.462 190 E N 2.191 122.380 120.200 -0.018 0.000 2.757 190 E HA -0.064 4.269 4.350 -0.030 0.000 0.238 190 E C -0.269 176.315 176.600 -0.027 0.000 1.057 190 E CA 0.338 56.729 56.400 -0.015 0.000 0.952 190 E CB -0.090 29.604 29.700 -0.010 0.000 0.934 190 E HN 0.370 nan 8.360 nan 0.000 0.518 191 L N 2.858 124.063 121.223 -0.029 0.000 2.313 191 L HA 0.320 4.643 4.340 -0.030 0.000 0.282 191 L C 0.860 177.719 176.870 -0.018 0.000 1.092 191 L CA -0.633 54.173 54.840 -0.057 0.000 0.831 191 L CB 0.745 42.739 42.059 -0.108 0.000 1.159 191 L HN 0.614 nan 8.230 nan 0.000 0.442 192 A N 6.986 129.789 122.820 -0.028 0.000 2.256 192 A HA 0.550 4.852 4.320 -0.030 0.000 0.276 192 A C -2.353 175.236 177.584 0.008 0.000 1.259 192 A CA -0.947 51.084 52.037 -0.010 0.000 0.813 192 A CB -0.416 18.571 19.000 -0.021 0.000 1.200 192 A HN 0.483 nan 8.150 nan 0.000 0.506 193 P HA 0.398 nan 4.420 nan 0.000 0.278 193 P C 0.497 177.797 177.300 -0.000 0.000 1.258 193 P CA 1.039 64.139 63.100 0.000 0.000 0.811 193 P CB 0.584 32.252 31.700 -0.054 0.000 1.063 194 G N 0.025 108.836 108.800 0.017 0.000 2.283 194 G HA2 -0.222 3.720 3.960 -0.030 0.000 0.280 194 G HA3 -0.222 3.720 3.960 -0.030 0.000 0.280 194 G C 0.038 174.954 174.900 0.028 0.000 1.029 194 G CA -0.165 44.950 45.100 0.025 0.000 0.840 194 G HN 0.473 nan 8.290 nan 0.000 0.505 195 V N 0.435 120.370 119.914 0.035 0.000 2.434 195 V HA 0.127 4.230 4.120 -0.030 0.000 0.281 195 V C 1.258 177.343 176.094 -0.014 0.000 1.005 195 V CA 0.089 62.353 62.300 -0.060 0.000 1.089 195 V CB 1.317 32.986 31.823 -0.256 0.000 0.978 195 V HN 0.249 nan 8.190 nan 0.000 0.474 196 V N 5.805 125.708 119.914 -0.018 0.000 2.229 196 V HA 0.079 4.182 4.120 -0.030 0.000 0.245 196 V C 0.950 177.046 176.094 0.003 0.000 1.243 196 V CA 0.366 62.679 62.300 0.021 0.000 1.176 196 V CB 0.627 32.456 31.823 0.011 0.000 1.323 196 V HN 0.925 nan 8.190 nan 0.000 0.499 197 S N 3.955 119.682 115.700 0.046 0.000 2.568 197 S HA 0.184 4.637 4.470 -0.030 0.000 0.282 197 S C 1.340 175.972 174.600 0.054 0.000 1.338 197 S CA -0.178 58.046 58.200 0.040 0.000 1.045 197 S CB 0.504 63.826 63.200 0.202 0.000 0.873 197 S HN 0.728 nan 8.310 nan 0.000 0.516 198 R N 2.776 123.293 120.500 0.029 0.000 2.246 198 R HA 0.247 4.569 4.340 -0.030 0.000 0.199 198 R C 1.546 177.863 176.300 0.028 0.000 0.984 198 R CA 0.422 56.536 56.100 0.023 0.000 1.015 198 R CB -0.011 30.294 30.300 0.009 0.000 0.930 198 R HN 0.572 nan 8.270 nan 0.000 0.475 199 L N -0.565 120.679 121.223 0.035 0.000 2.349 199 L HA 0.151 4.473 4.340 -0.030 0.000 0.200 199 L C -0.170 176.714 176.870 0.023 0.000 1.064 199 L CA 0.473 55.329 54.840 0.025 0.000 0.821 199 L CB 0.537 42.609 42.059 0.021 0.000 1.027 199 L HN -0.034 nan 8.230 nan 0.000 0.476 200 D N -0.469 119.945 120.400 0.023 0.000 2.233 200 D HA 0.454 5.076 4.640 -0.030 0.000 0.240 200 D C 0.582 176.893 176.300 0.017 0.000 1.074 200 D CA 0.885 54.895 54.000 0.015 0.000 0.838 200 D CB 1.447 42.252 40.800 0.008 0.000 1.124 200 D HN 0.291 nan 8.370 nan 0.000 0.475 201 G N 1.934 110.743 108.800 0.016 0.000 2.622 201 G HA2 -0.247 3.695 3.960 -0.030 0.000 0.307 201 G HA3 -0.247 3.695 3.960 -0.030 0.000 0.307 201 G C -0.461 174.454 174.900 0.024 0.000 1.226 201 G CA 0.360 45.470 45.100 0.018 0.000 0.997 201 G HN 0.663 nan 8.290 nan 0.000 0.551 202 V N 1.079 121.012 119.914 0.031 0.000 2.445 202 V HA 0.658 4.760 4.120 -0.030 0.000 0.283 202 V C 0.716 176.848 176.094 0.063 0.000 1.014 202 V CA -0.111 62.215 62.300 0.044 0.000 0.852 202 V CB 0.862 32.709 31.823 0.040 0.000 1.021 202 V HN 1.941 nan 8.190 nan 0.000 0.435 203 A N 6.492 129.361 122.820 0.082 0.000 2.561 203 A HA 0.383 4.685 4.320 -0.030 0.000 0.251 203 A C -0.150 177.543 177.584 0.182 0.000 1.062 203 A CA 0.589 52.691 52.037 0.107 0.000 0.761 203 A CB -0.213 18.885 19.000 0.162 0.000 0.986 203 A HN 0.810 nan 8.150 nan 0.000 0.510 204 L N 4.083 125.382 121.223 0.127 0.000 2.301 204 L HA 0.247 4.570 4.340 -0.030 0.000 0.278 204 L C -1.085 175.901 176.870 0.193 0.000 1.022 204 L CA -0.496 54.445 54.840 0.169 0.000 0.854 204 L CB 0.611 42.731 42.059 0.101 0.000 1.226 204 L HN 0.689 nan 8.230 nan 0.000 0.429 205 Y N 3.012 123.345 120.300 0.056 0.000 2.636 205 Y HA 0.181 4.713 4.550 -0.030 0.000 0.334 205 Y C 1.417 177.381 175.900 0.107 0.000 1.286 205 Y CA -0.431 57.720 58.100 0.085 0.000 1.688 205 Y CB -0.195 38.300 38.460 0.058 0.000 1.662 205 Y HN 0.411 nan 8.280 nan 0.000 0.465 206 R N 0.769 121.437 120.500 0.280 0.000 2.323 206 R HA 0.074 4.396 4.340 -0.030 0.000 0.198 206 R C -0.514 175.799 176.300 0.022 0.000 0.988 206 R CA 0.263 56.441 56.100 0.131 0.000 1.041 206 R CB -0.210 30.119 30.300 0.048 0.000 0.926 206 R HN 0.360 nan 8.270 nan 0.000 0.476 207 F N -0.665 119.330 119.950 0.075 0.000 2.585 207 F HA 0.342 4.852 4.527 -0.030 0.000 0.350 207 F C -1.052 174.779 175.800 0.052 0.000 1.074 207 F CA -2.450 55.582 58.000 0.053 0.000 1.032 207 F CB -0.009 39.015 39.000 0.040 0.000 1.330 207 F HN -0.242 nan 8.300 nan 0.000 0.495 208 P HA -0.243 nan 4.420 nan 0.000 0.230 208 P C 1.528 178.871 177.300 0.072 0.000 0.853 208 P CA 1.972 65.138 63.100 0.110 0.000 1.096 208 P CB 0.215 31.986 31.700 0.118 0.000 0.677 209 R N -1.860 118.674 120.500 0.056 0.000 2.121 209 R HA 0.247 4.570 4.340 -0.030 0.000 0.206 209 R C 1.018 177.329 176.300 0.018 0.000 1.094 209 R CA 0.947 57.063 56.100 0.027 0.000 1.055 209 R CB 0.281 30.587 30.300 0.010 0.000 0.964 209 R HN 0.237 nan 8.270 nan 0.000 0.473 210 R N -0.169 120.342 120.500 0.019 0.000 2.817 210 R HA 0.500 4.822 4.340 -0.030 0.000 0.268 210 R C -1.111 175.210 176.300 0.035 0.000 1.027 210 R CA -0.776 55.333 56.100 0.015 0.000 0.928 210 R CB 2.452 32.751 30.300 -0.001 0.000 1.228 210 R HN -0.154 nan 8.270 nan 0.000 0.469 211 V N 0.574 120.510 119.914 0.035 0.000 2.823 211 V HA 0.586 4.688 4.120 -0.030 0.000 0.312 211 V C -0.451 175.673 176.094 0.051 0.000 1.072 211 V CA -1.049 61.291 62.300 0.067 0.000 0.937 211 V CB 2.242 34.123 31.823 0.096 0.000 1.013 211 V HN 0.649 nan 8.190 nan 0.000 0.430 212 R N 1.988 122.527 120.500 0.065 0.000 2.435 212 R HA 0.736 5.058 4.340 -0.030 0.000 0.308 212 R C -1.465 174.877 176.300 0.071 0.000 0.975 212 R CA -0.272 55.858 56.100 0.051 0.000 0.867 212 R CB 1.907 32.232 30.300 0.042 0.000 1.171 212 R HN 0.664 nan 8.270 nan 0.000 0.470 213 V N 3.383 123.333 119.914 0.060 0.000 3.134 213 V HA 0.276 4.378 4.120 -0.030 0.000 0.313 213 V C 0.390 176.518 176.094 0.057 0.000 1.069 213 V CA 0.120 62.463 62.300 0.071 0.000 1.048 213 V CB 1.974 33.838 31.823 0.069 0.000 1.119 213 V HN 0.949 nan 8.190 nan 0.000 0.461 214 E N 1.320 121.574 120.200 0.090 0.000 2.175 214 E HA 0.205 4.538 4.350 -0.030 0.000 0.193 214 E C -0.939 175.698 176.600 0.062 0.000 0.962 214 E CA 0.168 56.642 56.400 0.123 0.000 0.981 214 E CB 0.414 30.277 29.700 0.272 0.000 1.093 214 E HN 0.637 nan 8.360 nan 0.000 0.483 215 Y N 0.192 120.507 120.300 0.025 0.000 2.509 215 Y HA 0.358 4.890 4.550 -0.030 0.000 0.341 215 Y C -0.258 175.652 175.900 0.016 0.000 1.038 215 Y CA -1.100 57.012 58.100 0.020 0.000 1.089 215 Y CB 1.608 40.080 38.460 0.020 0.000 1.241 215 Y HN -0.167 nan 8.280 nan 0.000 0.468 216 V N 0.468 120.463 119.914 0.135 0.000 2.850 216 V HA 0.935 5.037 4.120 -0.030 0.000 0.315 216 V C 0.031 176.188 176.094 0.105 0.000 1.064 216 V CA -0.755 61.595 62.300 0.084 0.000 0.979 216 V CB 0.630 32.470 31.823 0.029 0.000 1.039 216 V HN 0.870 nan 8.190 nan 0.000 0.452 217 K N 1.205 121.647 120.400 0.069 0.000 2.750 217 K HA 0.907 5.210 4.320 -0.030 0.000 0.272 217 K C 0.530 177.154 176.600 0.039 0.000 0.975 217 K CA 0.013 56.334 56.287 0.056 0.000 1.410 217 K CB -0.169 32.358 32.500 0.046 0.000 3.286 217 K HN 1.162 nan 8.250 nan 0.000 1.039 218 K N 0.568 120.985 120.400 0.029 0.000 3.206 218 K HA 0.587 4.889 4.320 -0.030 0.000 0.180 218 K C 0.844 177.455 176.600 0.017 0.000 1.088 218 K CA 0.824 57.124 56.287 0.023 0.000 0.872 218 K CB -0.195 32.318 32.500 0.021 0.000 0.976 218 K HN 0.842 nan 8.250 nan 0.000 0.564 219 E N 0.146 120.356 120.200 0.016 0.000 2.035 219 E HA 0.454 4.787 4.350 -0.030 0.000 0.191 219 E C 1.313 177.919 176.600 0.010 0.000 0.966 219 E CA 1.351 57.759 56.400 0.013 0.000 0.823 219 E CB -0.207 29.500 29.700 0.012 0.000 0.791 219 E HN 1.113 nan 8.360 nan 0.000 0.459 220 R N -0.701 119.805 120.500 0.010 0.000 2.628 220 R HA 0.836 5.159 4.340 -0.030 0.000 0.288 220 R C -0.594 175.710 176.300 0.007 0.000 0.980 220 R CA -0.219 55.885 56.100 0.007 0.000 0.891 220 R CB 1.160 31.463 30.300 0.006 0.000 1.188 220 R HN 1.153 nan 8.270 nan 0.000 0.450 221 A N 1.200 124.023 122.820 0.005 0.000 2.293 221 A HA 0.817 5.120 4.320 -0.030 0.000 0.312 221 A C 0.285 177.868 177.584 -0.001 0.000 1.309 221 A CA -0.269 51.770 52.037 0.002 0.000 0.839 221 A CB 0.692 19.694 19.000 0.002 0.000 1.155 221 A HN 1.754 nan 8.150 nan 0.000 0.501 222 G N -0.559 108.240 108.800 -0.002 0.000 2.719 222 G HA2 0.692 4.634 3.960 -0.030 0.000 0.298 222 G HA3 0.692 4.634 3.960 -0.030 0.000 0.298 222 G C 0.165 175.061 174.900 -0.006 0.000 1.433 222 G CA 0.230 45.328 45.100 -0.003 0.000 1.034 222 G HN 2.308 nan 8.290 nan 0.000 0.517 223 L N -1.893 119.326 121.223 -0.007 0.000 5.044 223 L HA 0.113 4.435 4.340 -0.030 0.000 0.412 223 L C 1.379 178.240 176.870 -0.016 0.000 0.971 223 L CA 2.664 57.499 54.840 -0.009 0.000 1.411 223 L CB -2.613 39.442 42.059 -0.006 0.000 1.884 223 L HN 2.082 nan 8.230 nan 0.000 0.631 224 R N -1.174 119.313 120.500 -0.021 0.000 2.546 224 R HA 1.074 5.397 4.340 -0.030 0.000 0.266 224 R C 1.056 177.333 176.300 -0.038 0.000 1.086 224 R CA 0.966 57.045 56.100 -0.034 0.000 1.160 224 R CB -0.396 29.879 30.300 -0.041 0.000 1.138 224 R HN 2.390 nan 8.270 nan 0.000 0.567 225 L N 0.132 121.323 121.223 -0.054 0.000 2.456 225 L HA 0.632 4.954 4.340 -0.030 0.000 0.246 225 L C 0.568 177.410 176.870 -0.046 0.000 1.238 225 L CA -0.039 54.770 54.840 -0.053 0.000 0.826 225 L CB -1.057 40.961 42.059 -0.069 0.000 1.150 225 L HN 0.966 nan 8.230 nan 0.000 0.514 226 P HA 0.173 nan 4.420 nan 0.000 0.224 226 P C 1.684 178.968 177.300 -0.026 0.000 1.142 226 P CA 3.496 66.580 63.100 -0.028 0.000 0.778 226 P CB -0.854 30.830 31.700 -0.026 0.000 0.764 227 L N -0.401 120.800 121.223 -0.037 0.000 1.944 227 L HA 0.090 4.412 4.340 -0.030 0.000 0.218 227 L C 2.953 179.816 176.870 -0.011 0.000 1.075 227 L CA 3.463 58.288 54.840 -0.026 0.000 0.767 227 L CB -1.973 40.057 42.059 -0.047 0.000 0.890 227 L HN 0.438 nan 8.230 nan 0.000 0.434 228 A N -1.143 121.669 122.820 -0.013 0.000 2.070 228 A HA 0.185 4.487 4.320 -0.030 0.000 0.220 228 A C 2.784 180.367 177.584 -0.003 0.000 1.159 228 A CA 2.249 54.284 52.037 -0.003 0.000 0.656 228 A CB -1.016 17.982 19.000 -0.003 0.000 0.800 228 A HN 1.602 nan 8.150 nan 0.000 0.453 229 A N -1.374 121.442 122.820 -0.007 0.000 1.869 229 A HA -0.154 4.148 4.320 -0.030 0.000 0.218 229 A C 2.458 180.041 177.584 -0.002 0.000 1.203 229 A CA 2.773 54.806 52.037 -0.006 0.000 0.638 229 A CB -1.650 17.345 19.000 -0.009 0.000 0.831 229 A HN 1.464 nan 8.150 nan 0.000 0.450 230 W N -0.782 120.518 121.300 -0.001 0.000 2.465 230 W HA 0.260 4.902 4.660 -0.030 0.000 0.268 230 W C 2.547 179.068 176.519 0.003 0.000 1.242 230 W CA 2.308 59.653 57.345 0.001 0.000 1.248 230 W CB -1.219 28.242 29.460 0.002 0.000 1.118 230 W HN 0.628 nan 8.180 nan 0.000 0.587 231 V N 1.229 121.146 119.914 0.005 0.000 2.220 231 V HA 0.137 4.240 4.120 -0.030 0.000 0.246 231 V C 1.520 177.617 176.094 0.006 0.000 1.049 231 V CA 3.197 65.501 62.300 0.007 0.000 1.003 231 V CB -1.553 30.276 31.823 0.010 0.000 0.634 231 V HN 0.594 nan 8.190 nan 0.000 0.444 232 E N 0.991 121.194 120.200 0.005 0.000 1.892 232 E HA 0.496 4.828 4.350 -0.030 0.000 0.271 232 E C 1.426 178.028 176.600 0.003 0.000 1.146 232 E CA 0.829 57.231 56.400 0.004 0.000 1.096 232 E CB -0.863 28.840 29.700 0.004 0.000 1.155 232 E HN 1.103 nan 8.360 nan 0.000 0.458 233 K N 0.459 120.861 120.400 0.003 0.000 2.127 233 K HA -0.389 3.913 4.320 -0.030 0.000 0.222 233 K C 2.357 178.957 176.600 0.001 0.000 1.034 233 K CA 4.048 60.336 56.287 0.002 0.000 0.955 233 K CB -2.032 30.469 32.500 0.002 0.000 0.786 233 K HN 1.490 nan 8.250 nan 0.000 0.465 234 E N -0.738 119.463 120.200 0.001 0.000 2.335 234 E HA -0.218 4.114 4.350 -0.030 0.000 0.236 234 E C 2.597 179.197 176.600 0.000 0.000 1.103 234 E CA 3.973 60.374 56.400 0.001 0.000 1.010 234 E CB -1.381 28.320 29.700 0.001 0.000 0.859 234 E HN 1.551 nan 8.360 nan 0.000 0.473 235 A N -1.592 121.228 122.820 -0.000 0.000 1.911 235 A HA 0.378 4.681 4.320 -0.030 0.000 0.212 235 A C 2.544 180.127 177.584 -0.002 0.000 1.189 235 A CA 2.213 54.249 52.037 -0.001 0.000 0.639 235 A CB -0.555 18.444 19.000 -0.002 0.000 0.839 235 A HN 1.405 nan 8.150 nan 0.000 0.449 236 Y N -1.035 119.263 120.300 -0.002 0.000 2.420 236 Y HA 0.228 4.761 4.550 -0.030 0.000 0.292 236 Y C 2.712 178.611 175.900 -0.002 0.000 1.119 236 Y CA 1.926 60.025 58.100 -0.002 0.000 1.229 236 Y CB -1.111 37.348 38.460 -0.003 0.000 1.026 236 Y HN 0.563 nan 8.280 nan 0.000 0.554 237 K N 0.352 120.751 120.400 -0.001 0.000 2.021 237 K HA 0.480 4.782 4.320 -0.030 0.000 0.205 237 K C -0.228 176.372 176.600 -0.000 0.000 1.047 237 K CA 1.306 57.593 56.287 -0.000 0.000 0.943 237 K CB -1.579 30.921 32.500 0.000 0.000 0.725 237 K HN 0.755 nan 8.250 nan 0.000 0.439 238 P HA 0.646 nan 4.420 nan 0.000 0.347 238 P C -0.712 176.588 177.300 -0.000 0.000 1.056 238 P CA 0.148 63.248 63.100 -0.000 0.000 0.796 238 P CB 1.921 33.622 31.700 0.000 0.000 1.342 239 G N -1.112 107.688 108.800 0.000 0.000 3.963 239 G HA2 0.486 4.429 3.960 -0.030 0.000 0.315 239 G HA3 0.486 4.429 3.960 -0.030 0.000 0.315 239 G C 0.428 175.328 174.900 0.001 0.000 1.254 239 G CA 1.387 46.488 45.100 0.000 0.000 1.395 239 G HN 0.792 nan 8.290 nan 0.000 0.538 240 E N 0.968 121.169 120.200 0.001 0.000 2.206 240 E HA 0.258 4.591 4.350 -0.030 0.000 0.195 240 E C 2.664 179.264 176.600 0.001 0.000 0.935 240 E CA 1.037 57.437 56.400 0.001 0.000 0.875 240 E CB -1.012 28.688 29.700 0.001 0.000 0.841 240 E HN 1.089 nan 8.360 nan 0.000 0.477 241 I N 1.381 121.951 120.570 0.000 0.000 2.500 241 I HA -0.318 3.835 4.170 -0.030 0.000 0.236 241 I C 3.225 179.343 176.117 0.001 0.000 0.933 241 I CA 4.516 65.816 61.300 0.000 0.000 1.250 241 I CB -2.044 35.956 38.000 -0.000 0.000 0.957 241 I HN 0.963 nan 8.210 nan 0.000 0.405 242 L N -0.483 120.741 121.223 0.001 0.000 1.989 242 L HA 0.228 4.550 4.340 -0.030 0.000 0.211 242 L C 3.060 179.931 176.870 0.002 0.000 1.071 242 L CA 3.576 58.416 54.840 0.002 0.000 0.749 242 L CB -2.097 39.964 42.059 0.002 0.000 0.890 242 L HN 1.619 nan 8.230 nan 0.000 0.431 243 A N -0.579 122.241 122.820 0.001 0.000 2.067 243 A HA 0.093 4.395 4.320 -0.030 0.000 0.219 243 A C 2.390 179.975 177.584 0.002 0.000 1.158 243 A CA 2.027 54.065 52.037 0.002 0.000 0.661 243 A CB -0.946 18.055 19.000 0.001 0.000 0.801 243 A HN 1.052 nan 8.150 nan 0.000 0.452 244 E N -0.495 119.706 120.200 0.002 0.000 2.077 244 E HA 0.178 4.510 4.350 -0.030 0.000 0.193 244 E C 1.315 177.917 176.600 0.002 0.000 0.989 244 E CA 1.231 57.632 56.400 0.002 0.000 0.800 244 E CB -1.842 27.859 29.700 0.001 0.000 0.746 244 E HN 1.509 nan 8.360 nan 0.000 0.452 245 L N 0.013 121.237 121.223 0.002 0.000 2.615 245 L HA 0.492 4.814 4.340 -0.030 0.000 0.284 245 L C -0.056 176.815 176.870 0.002 0.000 1.237 245 L CA 0.473 55.315 54.840 0.002 0.000 0.905 245 L CB -0.656 41.404 42.059 0.001 0.000 1.149 245 L HN 0.349 nan 8.230 nan 0.000 0.499 246 P HA 0.286 nan 4.420 nan 0.000 0.204 246 P C 1.245 178.546 177.300 0.002 0.000 1.144 246 P CA 1.964 65.065 63.100 0.002 0.000 0.901 246 P CB 0.324 32.025 31.700 0.002 0.000 0.746 247 E N -1.807 118.394 120.200 0.002 0.000 2.389 247 E HA 0.418 4.750 4.350 -0.030 0.000 0.199 247 E C 0.391 176.991 176.600 0.001 0.000 0.978 247 E CA 1.255 57.656 56.400 0.002 0.000 0.912 247 E CB -1.425 28.276 29.700 0.002 0.000 0.907 247 E HN 0.504 nan 8.360 nan 0.000 0.494 248 P HA 0.336 nan 4.420 nan 0.000 0.261 248 P C 1.559 178.860 177.300 0.001 0.000 1.268 248 P CA 1.390 64.490 63.100 0.001 0.000 0.833 248 P CB -0.531 31.170 31.700 0.001 0.000 1.231 249 Y N -1.489 118.812 120.300 0.001 0.000 2.616 249 Y HA 0.319 4.851 4.550 -0.030 0.000 0.296 249 Y C 2.464 178.364 175.900 0.001 0.000 1.154 249 Y CA 1.526 59.627 58.100 0.001 0.000 1.325 249 Y CB -1.261 37.199 38.460 0.001 0.000 1.007 249 Y HN 0.382 nan 8.280 nan 0.000 0.542 250 L N -1.186 120.038 121.223 0.001 0.000 2.202 250 L HA 0.436 4.759 4.340 -0.030 0.000 0.205 250 L C 1.928 178.799 176.870 0.001 0.000 1.083 250 L CA 0.740 55.581 54.840 0.001 0.000 0.790 250 L CB -1.742 40.318 42.059 0.001 0.000 0.942 250 L HN 0.934 nan 8.230 nan 0.000 0.452 365 D N -1.633 118.766 120.400 -0.003 0.000 2.756 365 D HA 1.027 5.649 4.640 -0.030 0.000 0.226 365 D C -0.326 175.973 176.300 -0.003 0.000 1.186 365 D CA 0.080 54.077 54.000 -0.004 0.000 0.845 365 D CB 1.795 42.590 40.800 -0.008 0.000 1.610 365 D HN 1.620 nan 8.370 nan 0.000 0.465 366 K N -0.422 119.977 120.400 -0.002 0.000 2.805 366 K HA 0.758 5.060 4.320 -0.030 0.000 0.276 366 K C -0.066 176.534 176.600 -0.000 0.000 1.209 366 K CA 0.192 56.479 56.287 -0.001 0.000 1.065 366 K CB -0.269 32.232 32.500 0.000 0.000 1.363 366 K HN 2.108 nan 8.250 nan 0.000 0.546 367 I N 0.671 121.241 120.570 -0.000 0.000 3.432 367 I HA 0.887 5.039 4.170 -0.030 0.000 0.291 367 I C 1.674 177.792 176.117 0.002 0.000 1.127 367 I CA -0.325 60.975 61.300 0.001 0.000 0.962 367 I CB -0.039 37.961 38.000 0.001 0.000 1.550 367 I HN 1.457 nan 8.210 nan 0.000 0.736 368 V N 0.978 120.894 119.914 0.003 0.000 3.702 368 V HA 0.351 4.453 4.120 -0.030 0.000 0.300 368 V C 2.024 178.120 176.094 0.004 0.000 1.142 368 V CA 1.172 63.474 62.300 0.003 0.000 1.252 368 V CB -0.751 31.074 31.823 0.004 0.000 1.086 368 V HN 2.263 nan 8.190 nan 0.000 0.496 369 A N 1.692 124.515 122.820 0.004 0.000 1.978 369 A HA 0.458 4.760 4.320 -0.030 0.000 0.220 369 A C 1.380 178.967 177.584 0.005 0.000 1.170 369 A CA 2.576 54.616 52.037 0.004 0.000 0.636 369 A CB -0.374 18.629 19.000 0.004 0.000 0.810 369 A HN 2.897 nan 8.150 nan 0.000 0.448 370 A N -3.215 119.609 122.820 0.006 0.000 1.757 370 A HA 0.480 4.782 4.320 -0.030 0.000 0.239 370 A C 0.263 177.852 177.584 0.008 0.000 1.739 370 A CA 0.269 52.310 52.037 0.007 0.000 1.801 370 A CB -0.876 18.128 19.000 0.008 0.000 0.739 370 A HN 1.427 nan 8.150 nan 0.000 0.864 371 I N -1.551 119.024 120.570 0.008 0.000 4.032 371 I HA 0.661 4.814 4.170 -0.030 0.000 0.313 371 I C 0.748 176.871 176.117 0.011 0.000 1.272 371 I CA 1.905 63.210 61.300 0.008 0.000 1.307 371 I CB -0.975 37.030 38.000 0.007 0.000 1.155 371 I HN 0.999 nan 8.210 nan 0.000 0.431 372 D N -0.129 120.279 120.400 0.013 0.000 2.326 372 D HA 0.756 5.379 4.640 -0.030 0.000 0.248 372 D C -1.509 174.803 176.300 0.020 0.000 1.001 372 D CA -0.345 53.665 54.000 0.016 0.000 0.961 372 D CB 1.214 42.024 40.800 0.016 0.000 1.183 372 D HN 0.326 nan 8.370 nan 0.000 0.502 373 P HA 0.655 nan 4.420 nan 0.000 0.230 373 P C 0.310 177.634 177.300 0.039 0.000 0.969 373 P CA 2.102 65.219 63.100 0.027 0.000 1.188 373 P CB 0.544 32.257 31.700 0.022 0.000 0.869 374 E N -1.839 118.388 120.200 0.044 0.000 2.428 374 E HA 0.616 4.948 4.350 -0.030 0.000 0.259 374 E C 0.250 176.903 176.600 0.087 0.000 0.930 374 E CA 0.398 56.835 56.400 0.061 0.000 0.823 374 E CB -0.340 29.384 29.700 0.040 0.000 1.403 374 E HN 0.326 nan 8.360 nan 0.000 0.415 375 E N -0.138 120.137 120.200 0.125 0.000 2.323 375 E HA 0.470 4.802 4.350 -0.030 0.000 0.313 375 E C 0.235 176.903 176.600 0.113 0.000 1.236 375 E CA 0.579 57.092 56.400 0.189 0.000 1.333 375 E CB -1.336 28.533 29.700 0.282 0.000 1.138 375 E HN 0.939 nan 8.360 nan 0.000 0.492 376 E N -1.140 119.106 120.200 0.078 0.000 2.299 376 E HA 0.836 5.168 4.350 -0.030 0.000 0.260 376 E C -0.111 176.515 176.600 0.043 0.000 0.944 376 E CA -0.182 56.248 56.400 0.051 0.000 0.815 376 E CB 1.721 31.442 29.700 0.036 0.000 1.252 376 E HN 1.361 nan 8.360 nan 0.000 0.418 377 V N -0.223 119.710 119.914 0.032 0.000 2.357 377 V HA 0.673 4.775 4.120 -0.030 0.000 0.284 377 V C 0.937 177.041 176.094 0.018 0.000 1.018 377 V CA 0.083 62.397 62.300 0.023 0.000 0.841 377 V CB 0.730 32.566 31.823 0.021 0.000 0.991 377 V HN 1.476 nan 8.190 nan 0.000 0.437 378 I N 3.824 124.403 120.570 0.015 0.000 3.826 378 I HA 0.596 4.749 4.170 -0.030 0.000 0.319 378 I C 1.652 177.774 176.117 0.010 0.000 1.394 378 I CA 0.860 62.167 61.300 0.012 0.000 1.197 378 I CB -0.925 37.081 38.000 0.011 0.000 1.096 378 I HN 1.191 nan 8.210 nan 0.000 0.409 379 A N 0.832 123.657 122.820 0.009 0.000 1.862 379 A HA 0.057 4.359 4.320 -0.030 0.000 0.217 379 A C 1.567 179.155 177.584 0.006 0.000 1.251 379 A CA 2.135 54.176 52.037 0.007 0.000 0.673 379 A CB -0.844 18.160 19.000 0.007 0.000 0.843 379 A HN 1.595 nan 8.150 nan 0.000 0.458 380 E N -0.874 119.330 120.200 0.007 0.000 2.175 380 E HA 0.602 4.935 4.350 -0.030 0.000 0.278 380 E C -0.135 176.470 176.600 0.008 0.000 0.969 380 E CA -0.370 56.034 56.400 0.007 0.000 0.796 380 E CB 0.903 30.606 29.700 0.006 0.000 1.104 380 E HN 1.587 nan 8.360 nan 0.000 0.395 381 A N 1.938 124.763 122.820 0.009 0.000 2.594 381 A HA 0.459 4.761 4.320 -0.030 0.000 0.291 381 A C 1.109 178.699 177.584 0.010 0.000 1.374 381 A CA 1.052 53.096 52.037 0.011 0.000 1.025 381 A CB -1.193 17.814 19.000 0.011 0.000 1.072 381 A HN 1.105 nan 8.150 nan 0.000 0.555 382 E N 2.240 122.446 120.200 0.010 0.000 2.280 382 E HA 0.341 4.673 4.350 -0.030 0.000 0.197 382 E C 1.273 177.879 176.600 0.010 0.000 0.913 382 E CA 0.394 56.799 56.400 0.009 0.000 0.995 382 E CB -0.607 29.098 29.700 0.007 0.000 0.991 382 E HN 1.191 nan 8.360 nan 0.000 0.484 383 G N 0.333 109.141 108.800 0.013 0.000 2.519 383 G HA2 0.560 4.502 3.960 -0.030 0.000 0.306 383 G HA3 0.560 4.502 3.960 -0.030 0.000 0.306 383 G C 0.044 174.956 174.900 0.020 0.000 0.965 383 G CA 0.692 45.801 45.100 0.015 0.000 1.291 383 G HN 1.112 nan 8.290 nan 0.000 0.450 384 V N 0.319 120.244 119.914 0.017 0.000 3.156 384 V HA 0.962 5.064 4.120 -0.030 0.000 0.311 384 V C -0.289 175.813 176.094 0.013 0.000 1.208 384 V CA -0.717 61.596 62.300 0.021 0.000 1.063 384 V CB 1.973 33.807 31.823 0.018 0.000 1.098 384 V HN 1.569 nan 8.190 nan 0.000 0.452 385 V N -0.087 119.833 119.914 0.010 0.000 2.928 385 V HA 0.638 4.741 4.120 -0.030 0.000 0.257 385 V C -0.341 175.743 176.094 -0.018 0.000 1.105 385 V CA 0.190 62.481 62.300 -0.014 0.000 0.939 385 V CB 0.345 32.146 31.823 -0.037 0.000 1.058 385 V HN 2.506 nan 8.190 nan 0.000 0.495 386 H N 2.357 121.418 119.070 -0.014 0.000 2.742 386 H HA 1.097 5.635 4.556 -0.030 0.000 0.302 386 H C -0.002 175.311 175.328 -0.025 0.000 1.069 386 H CA 0.618 56.661 56.048 -0.008 0.000 1.446 386 H CB 1.242 31.003 29.762 -0.001 0.000 1.462 386 H HN 2.729 nan 8.280 nan 0.000 0.499 387 L N -0.182 121.027 121.223 -0.025 0.000 2.626 387 L HA 0.764 5.086 4.340 -0.030 0.000 0.280 387 L C 0.639 177.496 176.870 -0.022 0.000 0.798 387 L CA 0.195 55.011 54.840 -0.039 0.000 1.129 387 L CB -0.493 41.517 42.059 -0.083 0.000 1.650 387 L HN 1.690 nan 8.230 nan 0.000 0.341 388 H N 0.527 119.573 119.070 -0.040 0.000 2.430 388 H HA 0.776 5.314 4.556 -0.030 0.000 0.359 388 H C 0.087 175.428 175.328 0.021 0.000 1.672 388 H CA 0.417 56.456 56.048 -0.014 0.000 1.445 388 H CB 0.408 30.158 29.762 -0.019 0.000 1.642 388 H HN 1.469 nan 8.280 nan 0.000 0.593 389 E N 0.314 120.538 120.200 0.041 0.000 2.448 389 E HA 0.264 4.597 4.350 -0.030 0.000 0.288 389 E C -3.509 173.123 176.600 0.054 0.000 0.936 389 E CA -2.012 54.446 56.400 0.097 0.000 0.809 389 E CB 1.648 31.401 29.700 0.088 0.000 1.408 389 E HN 0.416 nan 8.360 nan 0.000 0.393 390 P HA 0.304 nan 4.420 nan 0.000 0.279 390 P C -0.625 176.687 177.300 0.022 0.000 1.239 390 P CA -0.309 62.799 63.100 0.014 0.000 0.789 390 P CB 1.172 32.934 31.700 0.104 0.000 0.933 391 A N 1.966 124.751 122.820 -0.057 0.000 3.047 391 A HA 0.333 4.635 4.320 -0.030 0.000 0.337 391 A C 0.330 177.865 177.584 -0.081 0.000 1.143 391 A CA -0.173 51.858 52.037 -0.011 0.000 0.905 391 A CB -0.427 18.581 19.000 0.013 0.000 1.088 391 A HN 0.355 nan 8.150 nan 0.000 0.488 392 S N 2.347 118.052 115.700 0.009 0.000 2.416 392 S HA 0.402 4.854 4.470 -0.030 0.000 0.302 392 S C 0.285 174.913 174.600 0.048 0.000 1.120 392 S CA -0.507 57.714 58.200 0.035 0.000 1.067 392 S CB -0.808 62.471 63.200 0.131 0.000 1.057 392 S HN 0.498 nan 8.310 nan 0.000 0.518 393 I N 4.839 125.412 120.570 0.005 0.000 2.517 393 I HA 0.242 4.394 4.170 -0.030 0.000 0.285 393 I C 0.029 176.169 176.117 0.038 0.000 1.106 393 I CA -0.136 61.219 61.300 0.091 0.000 1.402 393 I CB 0.264 38.356 38.000 0.155 0.000 1.399 393 I HN 0.401 nan 8.210 nan 0.000 0.535 394 L N 7.401 128.637 121.223 0.022 0.000 2.283 394 L HA 0.340 4.662 4.340 -0.030 0.000 0.281 394 L C -0.253 176.577 176.870 -0.066 0.000 1.033 394 L CA -0.692 54.107 54.840 -0.068 0.000 0.848 394 L CB 1.295 43.304 42.059 -0.085 0.000 1.226 394 L HN 0.448 nan 8.230 nan 0.000 0.429 395 V N 6.172 126.041 119.914 -0.073 0.000 2.359 395 V HA 0.147 4.249 4.120 -0.030 0.000 0.248 395 V C 0.119 176.167 176.094 -0.075 0.000 1.091 395 V CA 0.355 62.638 62.300 -0.029 0.000 1.103 395 V CB 0.345 32.182 31.823 0.023 0.000 1.176 395 V HN 0.481 nan 8.190 nan 0.000 0.488 396 V N 4.366 124.244 119.914 -0.060 0.000 3.258 396 V HA 0.435 4.537 4.120 -0.030 0.000 0.299 396 V C -0.419 175.646 176.094 -0.048 0.000 1.376 396 V CA -1.428 60.832 62.300 -0.067 0.000 1.063 396 V CB 2.737 34.494 31.823 -0.110 0.000 1.103 396 V HN 0.731 nan 8.190 nan 0.000 0.451 397 K N 2.120 122.480 120.400 -0.066 0.000 2.240 397 K HA 0.805 5.108 4.320 -0.030 0.000 0.271 397 K C -0.464 176.091 176.600 -0.076 0.000 1.018 397 K CA -0.226 56.016 56.287 -0.075 0.000 0.874 397 K CB 1.595 34.022 32.500 -0.122 0.000 1.098 397 K HN 0.902 nan 8.250 nan 0.000 0.458 398 A N 5.436 128.227 122.820 -0.047 0.000 2.289 398 A HA 0.368 4.670 4.320 -0.030 0.000 0.298 398 A C -0.564 177.005 177.584 -0.025 0.000 1.208 398 A CA -0.814 51.203 52.037 -0.034 0.000 0.845 398 A CB 0.401 19.390 19.000 -0.018 0.000 1.125 398 A HN 0.871 nan 8.150 nan 0.000 0.517 399 R N 2.659 123.145 120.500 -0.024 0.000 2.343 399 R HA 0.410 4.732 4.340 -0.030 0.000 0.320 399 R C 0.045 176.356 176.300 0.018 0.000 0.956 399 R CA -0.544 55.557 56.100 0.002 0.000 0.836 399 R CB 1.851 32.147 30.300 -0.006 0.000 1.151 399 R HN 0.523 nan 8.270 nan 0.000 0.450 400 V N 2.667 122.616 119.914 0.059 0.000 2.672 400 V HA 0.019 4.121 4.120 -0.030 0.000 0.242 400 V C -0.220 175.887 176.094 0.022 0.000 1.059 400 V CA 0.975 63.299 62.300 0.040 0.000 1.081 400 V CB 0.156 32.037 31.823 0.096 0.000 0.752 400 V HN 0.623 nan 8.190 nan 0.000 0.472 401 Y N 0.537 120.869 120.300 0.053 0.000 2.638 401 Y HA 0.446 4.978 4.550 -0.030 0.000 0.367 401 Y C -2.337 173.659 175.900 0.161 0.000 1.001 401 Y CA -2.486 55.667 58.100 0.089 0.000 1.133 401 Y CB 0.433 38.990 38.460 0.162 0.000 1.199 401 Y HN 0.311 nan 8.280 nan 0.000 0.642 402 P HA 0.141 nan 4.420 nan 0.000 0.272 402 P C -0.776 176.651 177.300 0.210 0.000 1.240 402 P CA 0.126 63.347 63.100 0.203 0.000 0.791 402 P CB 0.901 32.654 31.700 0.088 0.000 0.978 403 F N -0.324 119.663 119.950 0.062 0.000 2.611 403 F HA 0.293 4.802 4.527 -0.030 0.000 0.324 403 F C 0.338 176.164 175.800 0.043 0.000 1.061 403 F CA -0.686 57.347 58.000 0.056 0.000 0.954 403 F CB 1.464 40.494 39.000 0.051 0.000 1.301 403 F HN 0.291 nan 8.300 nan 0.000 0.482 404 E N 1.063 121.363 120.200 0.168 0.000 2.089 404 E HA 0.321 4.654 4.350 -0.030 0.000 0.284 404 E C -1.683 174.999 176.600 0.136 0.000 1.023 404 E CA -0.616 55.849 56.400 0.108 0.000 0.819 404 E CB 0.586 30.309 29.700 0.037 0.000 1.076 404 E HN 0.324 nan 8.360 nan 0.000 0.396 405 D N 4.767 125.232 120.400 0.110 0.000 2.471 405 D HA 0.010 4.632 4.640 -0.030 0.000 0.245 405 D C -0.196 176.142 176.300 0.064 0.000 1.116 405 D CA -0.421 53.631 54.000 0.087 0.000 0.853 405 D CB 1.385 42.236 40.800 0.084 0.000 1.123 405 D HN 0.622 nan 8.370 nan 0.000 0.540 406 D N 1.033 121.465 120.400 0.052 0.000 2.363 406 D HA -0.081 4.541 4.640 -0.030 0.000 0.226 406 D C 1.586 177.907 176.300 0.035 0.000 1.020 406 D CA -0.038 53.986 54.000 0.040 0.000 0.892 406 D CB 0.255 41.076 40.800 0.034 0.000 0.900 406 D HN 0.101 nan 8.370 nan 0.000 0.531 407 V N 0.684 120.619 119.914 0.035 0.000 2.215 407 V HA -0.261 3.841 4.120 -0.030 0.000 0.246 407 V C 1.320 177.431 176.094 0.028 0.000 1.047 407 V CA 1.793 64.110 62.300 0.029 0.000 0.999 407 V CB -0.729 31.111 31.823 0.028 0.000 0.635 407 V HN 0.213 nan 8.190 nan 0.000 0.450 408 E N -0.669 119.551 120.200 0.033 0.000 2.385 408 E HA 0.361 4.694 4.350 -0.030 0.000 0.254 408 E C -0.371 176.251 176.600 0.035 0.000 1.228 408 E CA -0.638 55.782 56.400 0.033 0.000 0.956 408 E CB 0.652 30.375 29.700 0.038 0.000 1.116 408 E HN 0.144 nan 8.360 nan 0.000 0.507 409 V N 1.814 121.748 119.914 0.034 0.000 2.788 409 V HA -0.083 4.019 4.120 -0.030 0.000 0.307 409 V C -0.054 176.063 176.094 0.038 0.000 1.069 409 V CA -0.069 62.250 62.300 0.032 0.000 1.173 409 V CB 0.536 32.376 31.823 0.027 0.000 0.925 409 V HN 0.746 nan 8.190 nan 0.000 0.492 410 S N 3.157 118.878 115.700 0.035 0.000 2.998 410 S HA -0.024 4.429 4.470 -0.030 0.000 0.348 410 S C 0.230 174.856 174.600 0.045 0.000 1.210 410 S CA -0.110 58.114 58.200 0.040 0.000 1.118 410 S CB -0.514 62.703 63.200 0.028 0.000 0.832 410 S HN 0.809 nan 8.310 nan 0.000 0.516 411 T N 3.610 118.201 114.554 0.061 0.000 2.845 411 T HA 0.589 4.921 4.350 -0.030 0.000 0.288 411 T C 1.429 176.171 174.700 0.070 0.000 0.980 411 T CA 0.579 62.723 62.100 0.074 0.000 1.071 411 T CB 0.870 69.800 68.868 0.102 0.000 0.941 411 T HN 1.092 nan 8.240 nan 0.000 0.487 412 G N 4.517 113.353 108.800 0.060 0.000 4.163 412 G HA2 -0.212 3.730 3.960 -0.030 0.000 0.300 412 G HA3 -0.212 3.730 3.960 -0.030 0.000 0.300 412 G C -0.414 174.497 174.900 0.019 0.000 1.488 412 G CA 0.505 45.633 45.100 0.046 0.000 1.052 412 G HN 0.743 nan 8.290 nan 0.000 0.687 413 D N -1.004 119.404 120.400 0.013 0.000 2.622 413 D HA 0.639 5.261 4.640 -0.030 0.000 0.255 413 D C 0.040 176.309 176.300 -0.051 0.000 1.246 413 D CA -0.755 53.232 54.000 -0.023 0.000 0.795 413 D CB 1.192 41.972 40.800 -0.035 0.000 1.369 413 D HN 0.444 nan 8.370 nan 0.000 0.425 414 R N 0.555 120.994 120.500 -0.103 0.000 2.606 414 R HA 0.450 4.772 4.340 -0.030 0.000 0.249 414 R C 0.850 176.997 176.300 -0.256 0.000 1.127 414 R CA -0.729 55.252 56.100 -0.199 0.000 1.133 414 R CB 0.171 30.371 30.300 -0.166 0.000 1.243 414 R HN 0.237 nan 8.270 nan 0.000 0.558 415 V N 0.684 120.357 119.914 -0.401 0.000 2.223 415 V HA -0.340 3.762 4.120 -0.030 0.000 0.246 415 V C 1.818 177.762 176.094 -0.250 0.000 1.045 415 V CA 3.196 65.328 62.300 -0.281 0.000 1.004 415 V CB -0.560 31.145 31.823 -0.196 0.000 0.641 415 V HN 0.960 nan 8.190 nan 0.000 0.457 416 A N -2.145 120.558 122.820 -0.195 0.000 1.937 416 A HA 0.319 4.622 4.320 -0.030 0.000 0.198 416 A C -0.047 177.466 177.584 -0.119 0.000 1.635 416 A CA 0.481 52.412 52.037 -0.175 0.000 1.111 416 A CB -1.185 17.720 19.000 -0.158 0.000 1.165 416 A HN 0.530 nan 8.150 nan 0.000 0.460 417 P HA 0.028 nan 4.420 nan 0.000 0.200 417 P C 1.060 178.318 177.300 -0.070 0.000 1.007 417 P CA 1.464 64.519 63.100 -0.074 0.000 0.916 417 P CB -0.512 31.149 31.700 -0.065 0.000 0.696 418 G N 0.610 109.369 108.800 -0.069 0.000 2.380 418 G HA2 0.263 4.205 3.960 -0.030 0.000 0.262 418 G HA3 0.263 4.205 3.960 -0.030 0.000 0.262 418 G C -0.885 173.980 174.900 -0.058 0.000 1.243 418 G CA -0.292 44.775 45.100 -0.055 0.000 0.865 418 G HN 0.135 nan 8.290 nan 0.000 0.513 419 D N 2.604 122.978 120.400 -0.044 0.000 2.440 419 D HA 0.208 4.830 4.640 -0.030 0.000 0.239 419 D C 0.882 177.168 176.300 -0.023 0.000 1.084 419 D CA -0.511 53.466 54.000 -0.038 0.000 0.843 419 D CB 1.951 42.729 40.800 -0.037 0.000 1.097 419 D HN 0.109 nan 8.370 nan 0.000 0.531 420 V N 1.366 121.271 119.914 -0.016 0.000 3.471 420 V HA -0.003 4.099 4.120 -0.030 0.000 0.258 420 V C 1.302 177.396 176.094 0.000 0.000 1.192 420 V CA 0.024 62.321 62.300 -0.006 0.000 1.116 420 V CB -0.523 31.300 31.823 0.000 0.000 0.792 420 V HN 0.516 nan 8.190 nan 0.000 0.459 421 L N 0.511 121.734 121.223 0.001 0.000 2.514 421 L HA 0.571 4.893 4.340 -0.030 0.000 0.280 421 L C 0.535 177.405 176.870 0.001 0.000 1.223 421 L CA -0.178 54.666 54.840 0.007 0.000 0.864 421 L CB 0.153 42.216 42.059 0.007 0.000 1.118 421 L HN 0.096 nan 8.230 nan 0.000 0.494 422 A N 2.773 125.594 122.820 0.002 0.000 2.346 422 A HA 0.267 4.569 4.320 -0.030 0.000 0.255 422 A C 0.075 177.658 177.584 -0.002 0.000 1.113 422 A CA -0.388 51.647 52.037 -0.003 0.000 0.798 422 A CB 0.070 19.066 19.000 -0.006 0.000 1.073 422 A HN 0.934 nan 8.150 nan 0.000 0.502 423 D N -0.401 119.996 120.400 -0.004 0.000 2.478 423 D HA 0.322 4.944 4.640 -0.030 0.000 0.269 423 D C 1.146 177.448 176.300 0.004 0.000 1.232 423 D CA 0.429 54.428 54.000 -0.002 0.000 1.059 423 D CB -0.100 40.698 40.800 -0.004 0.000 1.104 423 D HN 0.628 nan 8.370 nan 0.000 0.566 424 G N -0.905 107.899 108.800 0.007 0.000 3.231 424 G HA2 0.172 4.114 3.960 -0.030 0.000 0.213 424 G HA3 0.172 4.114 3.960 -0.030 0.000 0.213 424 G C 0.732 175.645 174.900 0.021 0.000 1.058 424 G CA 0.662 45.773 45.100 0.018 0.000 1.643 424 G HN 0.470 nan 8.290 nan 0.000 0.548 425 G N -0.599 108.209 108.800 0.014 0.000 2.573 425 G HA2 0.384 4.327 3.960 -0.030 0.000 0.178 425 G HA3 0.384 4.327 3.960 -0.030 0.000 0.178 425 G C 0.026 174.931 174.900 0.008 0.000 1.706 425 G CA -0.101 45.004 45.100 0.008 0.000 0.760 425 G HN 0.423 nan 8.290 nan 0.000 0.778 426 K N 0.551 120.948 120.400 -0.005 0.000 2.502 426 K HA 0.598 4.900 4.320 -0.030 0.000 0.254 426 K C -1.923 174.662 176.600 -0.024 0.000 0.947 426 K CA -0.366 55.911 56.287 -0.017 0.000 0.834 426 K CB 2.090 34.574 32.500 -0.027 0.000 1.112 426 K HN 0.227 nan 8.250 nan 0.000 0.427 427 V N 3.715 123.613 119.914 -0.026 0.000 2.737 427 V HA 0.297 4.399 4.120 -0.030 0.000 0.298 427 V C -1.136 174.937 176.094 -0.035 0.000 1.163 427 V CA -1.063 61.223 62.300 -0.024 0.000 0.925 427 V CB 1.627 33.451 31.823 0.002 0.000 1.037 427 V HN 0.771 nan 8.190 nan 0.000 0.433 428 K N 2.178 122.532 120.400 -0.076 0.000 2.334 428 K HA 0.656 4.958 4.320 -0.030 0.000 0.265 428 K C 0.139 176.769 176.600 0.051 0.000 1.039 428 K CA -0.517 55.700 56.287 -0.117 0.000 0.920 428 K CB 1.907 34.150 32.500 -0.428 0.000 1.160 428 K HN 0.507 nan 8.250 nan 0.000 0.451 429 S N 2.080 117.876 115.700 0.160 0.000 2.431 429 S HA 0.062 4.514 4.470 -0.030 0.000 0.210 429 S C 0.353 175.078 174.600 0.208 0.000 1.013 429 S CA 0.470 58.784 58.200 0.189 0.000 0.920 429 S CB 0.117 63.446 63.200 0.214 0.000 0.882 429 S HN 0.625 nan 8.310 nan 0.000 0.567 430 D N -0.276 120.250 120.400 0.211 0.000 2.707 430 D HA 0.298 4.920 4.640 -0.030 0.000 0.223 430 D C 1.222 177.382 176.300 -0.234 0.000 1.208 430 D CA -0.531 53.439 54.000 -0.050 0.000 1.081 430 D CB 0.128 40.855 40.800 -0.122 0.000 1.216 430 D HN -0.047 nan 8.370 nan 0.000 0.633 431 V N 0.243 119.790 119.914 -0.612 0.000 2.594 431 V HA -0.136 3.966 4.120 -0.030 0.000 0.253 431 V C 0.108 176.094 176.094 -0.179 0.000 1.069 431 V CA 1.455 63.469 62.300 -0.476 0.000 1.082 431 V CB -0.663 30.906 31.823 -0.424 0.000 0.680 431 V HN 0.284 nan 8.190 nan 0.000 0.469 432 Y N -0.544 119.847 120.300 0.151 0.000 2.411 432 Y HA 0.535 5.068 4.550 -0.030 0.000 0.333 432 Y C 1.235 177.261 175.900 0.210 0.000 1.186 432 Y CA -0.140 58.054 58.100 0.156 0.000 1.381 432 Y CB 0.350 38.864 38.460 0.090 0.000 1.273 432 Y HN -0.086 nan 8.280 nan 0.000 0.546 433 G N 2.484 111.466 108.800 0.302 0.000 3.342 433 G HA2 0.179 4.121 3.960 -0.030 0.000 0.252 433 G HA3 0.179 4.121 3.960 -0.030 0.000 0.252 433 G C 0.280 175.212 174.900 0.054 0.000 1.011 433 G CA -0.456 44.721 45.100 0.128 0.000 0.869 433 G HN 0.339 nan 8.290 nan 0.000 0.514 434 R N 0.135 120.687 120.500 0.086 0.000 2.664 434 R HA 0.667 4.989 4.340 -0.030 0.000 0.286 434 R C -1.530 174.801 176.300 0.052 0.000 0.967 434 R CA -0.643 55.490 56.100 0.056 0.000 0.933 434 R CB 2.539 32.884 30.300 0.075 0.000 1.146 434 R HN -0.065 nan 8.270 nan 0.000 0.468 435 V N 3.202 123.138 119.914 0.037 0.000 2.447 435 V HA 0.212 4.315 4.120 -0.030 0.000 0.292 435 V C -0.365 175.744 176.094 0.025 0.000 1.021 435 V CA -0.621 61.696 62.300 0.028 0.000 0.850 435 V CB 1.840 33.677 31.823 0.023 0.000 1.005 435 V HN 0.676 nan 8.190 nan 0.000 0.426 436 E N 3.695 123.910 120.200 0.024 0.000 2.250 436 E HA 0.745 5.077 4.350 -0.030 0.000 0.269 436 E C -1.269 175.337 176.600 0.009 0.000 1.018 436 E CA -0.779 55.637 56.400 0.027 0.000 0.873 436 E CB 2.762 32.486 29.700 0.040 0.000 1.134 436 E HN 0.366 nan 8.360 nan 0.000 0.403 437 V N 1.180 121.097 119.914 0.007 0.000 2.638 437 V HA 0.210 4.312 4.120 -0.030 0.000 0.306 437 V C -1.121 174.968 176.094 -0.008 0.000 1.052 437 V CA -0.837 61.460 62.300 -0.006 0.000 0.885 437 V CB 1.915 33.732 31.823 -0.010 0.000 0.999 437 V HN 0.723 nan 8.190 nan 0.000 0.424 438 D N 3.462 123.852 120.400 -0.017 0.000 2.454 438 D HA 0.398 5.021 4.640 -0.030 0.000 0.247 438 D C 0.612 176.893 176.300 -0.032 0.000 1.129 438 D CA -0.382 53.606 54.000 -0.020 0.000 0.877 438 D CB 1.317 42.106 40.800 -0.019 0.000 1.082 438 D HN 0.415 nan 8.370 nan 0.000 0.537 439 L N 2.990 124.193 121.223 -0.033 0.000 2.622 439 L HA -0.006 4.316 4.340 -0.030 0.000 0.233 439 L C 1.782 178.625 176.870 -0.045 0.000 1.156 439 L CA -0.082 54.733 54.840 -0.042 0.000 0.866 439 L CB -0.198 41.839 42.059 -0.036 0.000 0.980 439 L HN 0.413 nan 8.230 nan 0.000 0.448 440 V N -0.039 119.851 119.914 -0.040 0.000 2.244 440 V HA -0.251 3.851 4.120 -0.030 0.000 0.235 440 V C 1.586 177.651 176.094 -0.048 0.000 1.026 440 V CA 1.495 63.770 62.300 -0.041 0.000 0.990 440 V CB -0.259 31.541 31.823 -0.038 0.000 0.640 440 V HN 0.475 nan 8.190 nan 0.000 0.463 441 R N 0.739 121.210 120.500 -0.048 0.000 2.543 441 R HA 0.131 4.454 4.340 -0.030 0.000 0.268 441 R C 0.074 176.322 176.300 -0.087 0.000 1.067 441 R CA -0.475 55.587 56.100 -0.064 0.000 1.142 441 R CB 0.240 30.513 30.300 -0.045 0.000 1.110 441 R HN 0.431 nan 8.270 nan 0.000 0.549 442 N N 2.175 120.791 118.700 -0.140 0.000 2.670 442 N HA 0.042 4.764 4.740 -0.030 0.000 0.296 442 N C -1.136 174.309 175.510 -0.109 0.000 1.216 442 N CA 0.268 53.230 53.050 -0.147 0.000 1.123 442 N CB 0.421 38.767 38.487 -0.235 0.000 1.459 442 N HN 0.215 nan 8.380 nan 0.000 0.509 443 V N 1.837 121.710 119.914 -0.068 0.000 2.259 443 V HA 0.082 4.184 4.120 -0.030 0.000 0.267 443 V C 0.596 176.669 176.094 -0.035 0.000 1.051 443 V CA -0.866 61.408 62.300 -0.043 0.000 0.830 443 V CB 1.411 33.215 31.823 -0.030 0.000 1.080 443 V HN 0.183 nan 8.190 nan 0.000 0.467 444 V N 6.412 126.306 119.914 -0.033 0.000 2.326 444 V HA 0.416 4.518 4.120 -0.030 0.000 0.249 444 V C 0.673 176.753 176.094 -0.024 0.000 1.114 444 V CA -0.458 61.827 62.300 -0.025 0.000 1.028 444 V CB 0.284 32.094 31.823 -0.023 0.000 1.170 444 V HN 0.804 nan 8.190 nan 0.000 0.494 445 R N 4.752 125.240 120.500 -0.020 0.000 2.413 445 R HA 0.263 4.585 4.340 -0.030 0.000 0.333 445 R C -0.491 175.795 176.300 -0.024 0.000 1.074 445 R CA 0.198 56.283 56.100 -0.024 0.000 0.982 445 R CB 0.231 30.522 30.300 -0.014 0.000 0.981 445 R HN 0.631 nan 8.270 nan 0.000 0.452 446 V N 5.867 125.753 119.914 -0.047 0.000 2.334 446 V HA 0.183 4.285 4.120 -0.030 0.000 0.267 446 V C 0.378 176.445 176.094 -0.044 0.000 1.040 446 V CA -0.653 61.621 62.300 -0.043 0.000 0.866 446 V CB 1.099 32.863 31.823 -0.098 0.000 1.019 446 V HN 0.514 nan 8.190 nan 0.000 0.468 447 V N 4.373 124.288 119.914 0.002 0.000 3.295 447 V HA 0.453 4.556 4.120 -0.030 0.000 0.308 447 V C 0.845 176.997 176.094 0.096 0.000 1.068 447 V CA -0.003 62.302 62.300 0.009 0.000 1.062 447 V CB 1.641 33.451 31.823 -0.022 0.000 1.162 447 V HN 0.882 nan 8.190 nan 0.000 0.456 448 E N 1.423 121.693 120.200 0.117 0.000 2.498 448 E HA 0.218 4.550 4.350 -0.030 0.000 0.203 448 E C 0.517 177.240 176.600 0.205 0.000 1.013 448 E CA -0.012 56.523 56.400 0.225 0.000 0.927 448 E CB 0.896 30.732 29.700 0.227 0.000 1.012 448 E HN 0.622 nan 8.360 nan 0.000 0.482 449 S N -0.374 115.419 115.700 0.155 0.000 2.713 449 S HA 0.387 4.839 4.470 -0.030 0.000 0.283 449 S C -0.820 173.911 174.600 0.219 0.000 1.161 449 S CA -0.519 57.783 58.200 0.169 0.000 0.999 449 S CB 0.715 63.986 63.200 0.118 0.000 1.039 449 S HN 0.073 nan 8.310 nan 0.000 0.548 450 Y N 0.161 120.487 120.300 0.044 0.000 2.679 450 Y HA 0.330 4.862 4.550 -0.030 0.000 0.331 450 Y C 0.286 176.213 175.900 0.045 0.000 1.183 450 Y CA -0.789 57.333 58.100 0.036 0.000 1.290 450 Y CB 0.570 39.041 38.460 0.017 0.000 1.489 450 Y HN 0.557 nan 8.280 nan 0.000 0.583 451 D N 2.314 122.739 120.400 0.042 0.000 2.606 451 D HA 0.007 4.629 4.640 -0.030 0.000 0.234 451 D C -0.418 175.960 176.300 0.130 0.000 1.140 451 D CA 0.550 54.574 54.000 0.040 0.000 1.182 451 D CB -0.856 39.951 40.800 0.011 0.000 1.130 451 D HN 0.254 nan 8.370 nan 0.000 0.485 452 I N 1.437 122.089 120.570 0.137 0.000 2.389 452 I HA -0.061 4.092 4.170 -0.030 0.000 0.295 452 I C 0.184 176.369 176.117 0.114 0.000 1.117 452 I CA -0.267 61.118 61.300 0.142 0.000 1.317 452 I CB 0.251 38.359 38.000 0.181 0.000 1.431 452 I HN -0.087 nan 8.210 nan 0.000 0.521 453 D N 8.034 128.479 120.400 0.075 0.000 2.441 453 D HA 0.196 4.818 4.640 -0.030 0.000 0.243 453 D C -0.185 176.121 176.300 0.011 0.000 1.257 453 D CA 0.222 54.245 54.000 0.040 0.000 1.027 453 D CB 0.342 41.156 40.800 0.022 0.000 1.084 453 D HN 0.590 nan 8.370 nan 0.000 0.514 454 A N 4.113 126.935 122.820 0.002 0.000 2.289 454 A HA 0.641 4.944 4.320 -0.030 0.000 0.298 454 A C 0.260 177.746 177.584 -0.162 0.000 1.208 454 A CA -0.435 51.525 52.037 -0.128 0.000 0.845 454 A CB 0.718 19.544 19.000 -0.289 0.000 1.125 454 A HN 0.474 nan 8.150 nan 0.000 0.517 455 R N 1.917 122.317 120.500 -0.167 0.000 2.668 455 R HA 0.681 5.003 4.340 -0.030 0.000 0.272 455 R C -1.002 175.199 176.300 -0.165 0.000 1.019 455 R CA -0.699 55.312 56.100 -0.148 0.000 0.894 455 R CB 2.212 32.451 30.300 -0.101 0.000 1.228 455 R HN 0.844 nan 8.270 nan 0.000 0.460 456 M N 0.193 119.688 119.600 -0.174 0.000 2.371 456 M HA 0.769 5.231 4.480 -0.030 0.000 0.287 456 M C -0.305 175.876 176.300 -0.199 0.000 1.149 456 M CA -0.354 54.834 55.300 -0.187 0.000 0.929 456 M CB 1.367 33.824 32.600 -0.239 0.000 1.683 456 M HN 0.746 nan 8.290 nan 0.000 0.470 457 G N 2.104 110.764 108.800 -0.234 0.000 2.466 457 G HA2 0.210 4.152 3.960 -0.030 0.000 0.316 457 G HA3 0.210 4.152 3.960 -0.030 0.000 0.316 457 G C 0.298 174.948 174.900 -0.417 0.000 1.270 457 G CA 0.120 45.026 45.100 -0.322 0.000 0.982 457 G HN 1.633 nan 8.290 nan 0.000 0.506 458 A N -0.562 121.994 122.820 -0.440 0.000 1.986 458 A HA -0.037 4.265 4.320 -0.030 0.000 0.220 458 A C 2.090 179.529 177.584 -0.240 0.000 1.171 458 A CA 2.712 54.518 52.037 -0.385 0.000 0.640 458 A CB -0.639 18.198 19.000 -0.271 0.000 0.811 458 A HN 1.138 nan 8.150 nan 0.000 0.451 459 E N -0.072 120.012 120.200 -0.194 0.000 2.033 459 E HA -0.215 4.117 4.350 -0.030 0.000 0.199 459 E C 2.057 178.582 176.600 -0.125 0.000 1.011 459 E CA 1.429 57.748 56.400 -0.135 0.000 0.815 459 E CB -0.321 29.308 29.700 -0.118 0.000 0.755 459 E HN 0.555 nan 8.360 nan 0.000 0.451 460 A N 0.395 123.129 122.820 -0.143 0.000 2.125 460 A HA -0.111 4.191 4.320 -0.030 0.000 0.219 460 A C 1.841 179.364 177.584 -0.101 0.000 1.156 460 A CA 1.013 52.983 52.037 -0.113 0.000 0.671 460 A CB -0.230 18.701 19.000 -0.115 0.000 0.794 460 A HN 0.348 nan 8.150 nan 0.000 0.459 461 I N -1.216 119.271 120.570 -0.138 0.000 3.526 461 I HA -0.017 4.135 4.170 -0.030 0.000 0.294 461 I C 2.242 178.321 176.117 -0.063 0.000 1.229 461 I CA 0.791 62.034 61.300 -0.094 0.000 1.408 461 I CB -1.359 36.558 38.000 -0.138 0.000 1.127 461 I HN 0.487 nan 8.210 nan 0.000 0.439 462 Q N 0.912 120.667 119.800 -0.076 0.000 2.079 462 Q HA -0.186 4.136 4.340 -0.030 0.000 0.200 462 Q C 2.152 178.127 176.000 -0.042 0.000 0.974 462 Q CA 1.476 57.252 55.803 -0.045 0.000 0.840 462 Q CB 0.276 28.987 28.738 -0.046 0.000 0.898 462 Q HN 0.420 nan 8.270 nan 0.000 0.430 463 Q N 0.466 120.237 119.800 -0.049 0.000 1.948 463 Q HA -0.189 4.133 4.340 -0.030 0.000 0.205 463 Q C 2.334 178.310 176.000 -0.041 0.000 0.992 463 Q CA 1.378 57.156 55.803 -0.041 0.000 0.849 463 Q CB -0.693 28.020 28.738 -0.041 0.000 0.918 463 Q HN 0.441 nan 8.270 nan 0.000 0.421 464 L N 0.482 121.681 121.223 -0.039 0.000 2.089 464 L HA -0.225 4.098 4.340 -0.030 0.000 0.213 464 L C 2.496 179.340 176.870 -0.044 0.000 1.079 464 L CA 0.958 55.779 54.840 -0.032 0.000 0.758 464 L CB -0.486 41.562 42.059 -0.019 0.000 0.891 464 L HN 0.203 nan 8.230 nan 0.000 0.433 465 L N -0.898 120.293 121.223 -0.053 0.000 2.240 465 L HA -0.155 4.167 4.340 -0.030 0.000 0.211 465 L C 2.540 179.338 176.870 -0.120 0.000 1.106 465 L CA 0.958 55.744 54.840 -0.089 0.000 0.793 465 L CB -0.244 41.762 42.059 -0.088 0.000 0.927 465 L HN 0.234 nan 8.230 nan 0.000 0.446 466 K N 0.358 120.705 120.400 -0.088 0.000 2.062 466 K HA -0.117 4.186 4.320 -0.030 0.000 0.205 466 K C 1.094 177.645 176.600 -0.082 0.000 1.051 466 K CA 0.909 57.142 56.287 -0.090 0.000 0.941 466 K CB 0.089 32.559 32.500 -0.051 0.000 0.719 466 K HN 0.236 nan 8.250 nan 0.000 0.440 467 E N 1.073 121.236 120.200 -0.061 0.000 2.352 467 E HA 0.002 4.334 4.350 -0.030 0.000 0.197 467 E C -0.968 175.599 176.600 -0.055 0.000 1.224 467 E CA 0.083 56.453 56.400 -0.049 0.000 1.118 467 E CB -0.189 29.491 29.700 -0.034 0.000 1.198 467 E HN 0.151 nan 8.360 nan 0.000 0.454 468 L N 0.166 121.343 121.223 -0.077 0.000 2.376 468 L HA 0.346 4.668 4.340 -0.030 0.000 0.275 468 L C -0.194 176.625 176.870 -0.085 0.000 0.987 468 L CA -0.747 54.048 54.840 -0.076 0.000 0.828 468 L CB 1.825 43.832 42.059 -0.087 0.000 1.249 468 L HN -0.146 nan 8.230 nan 0.000 0.409 469 D N 3.637 124.001 120.400 -0.061 0.000 2.441 469 D HA 0.230 4.853 4.640 -0.030 0.000 0.221 469 D C 1.262 177.532 176.300 -0.050 0.000 1.156 469 D CA -0.118 53.849 54.000 -0.056 0.000 0.896 469 D CB 1.153 41.931 40.800 -0.037 0.000 1.028 469 D HN 0.547 nan 8.370 nan 0.000 0.509 470 L N 2.360 123.544 121.223 -0.064 0.000 2.137 470 L HA -0.232 4.090 4.340 -0.030 0.000 0.213 470 L C 2.244 179.102 176.870 -0.019 0.000 1.085 470 L CA 1.116 55.930 54.840 -0.043 0.000 0.760 470 L CB -0.380 41.650 42.059 -0.049 0.000 0.893 470 L HN 0.407 nan 8.230 nan 0.000 0.434 471 E N 0.405 120.594 120.200 -0.019 0.000 2.070 471 E HA -0.280 4.052 4.350 -0.030 0.000 0.197 471 E C 2.355 178.950 176.600 -0.007 0.000 1.004 471 E CA 1.475 57.870 56.400 -0.008 0.000 0.805 471 E CB -0.171 29.524 29.700 -0.008 0.000 0.744 471 E HN 0.574 nan 8.360 nan 0.000 0.451 472 A N 1.268 124.081 122.820 -0.012 0.000 1.865 472 A HA -0.192 4.110 4.320 -0.030 0.000 0.217 472 A C 2.174 179.752 177.584 -0.009 0.000 1.191 472 A CA 1.254 53.285 52.037 -0.010 0.000 0.623 472 A CB -0.686 18.306 19.000 -0.012 0.000 0.826 472 A HN 0.217 nan 8.150 nan 0.000 0.444 473 L N -0.116 121.101 121.223 -0.011 0.000 2.265 473 L HA -0.118 4.205 4.340 -0.030 0.000 0.215 473 L C 2.228 179.095 176.870 -0.004 0.000 1.117 473 L CA 2.063 56.898 54.840 -0.008 0.000 0.782 473 L CB -0.422 41.632 42.059 -0.008 0.000 0.914 473 L HN 0.575 nan 8.230 nan 0.000 0.441 474 E N -0.782 119.417 120.200 -0.001 0.000 2.072 474 E HA -0.204 4.129 4.350 -0.030 0.000 0.190 474 E C 2.050 178.647 176.600 -0.005 0.000 0.982 474 E CA 0.893 57.294 56.400 0.002 0.000 0.803 474 E CB 0.149 29.854 29.700 0.008 0.000 0.755 474 E HN 0.489 nan 8.360 nan 0.000 0.453 475 K N 0.452 120.849 120.400 -0.005 0.000 2.031 475 K HA -0.151 4.151 4.320 -0.030 0.000 0.205 475 K C 2.170 178.759 176.600 -0.019 0.000 1.049 475 K CA 1.140 57.422 56.287 -0.008 0.000 0.939 475 K CB -0.077 32.422 32.500 -0.001 0.000 0.717 475 K HN 0.062 nan 8.250 nan 0.000 0.438 476 E N 1.052 121.242 120.200 -0.016 0.000 2.058 476 E HA -0.178 4.154 4.350 -0.030 0.000 0.194 476 E C 1.951 178.527 176.600 -0.041 0.000 0.997 476 E CA 1.074 57.460 56.400 -0.022 0.000 0.801 476 E CB 0.024 29.716 29.700 -0.013 0.000 0.746 476 E HN 0.176 nan 8.360 nan 0.000 0.450 477 L N 0.440 121.643 121.223 -0.033 0.000 2.083 477 L HA -0.202 4.120 4.340 -0.030 0.000 0.209 477 L C 2.448 179.277 176.870 -0.068 0.000 1.083 477 L CA 0.702 55.518 54.840 -0.041 0.000 0.752 477 L CB -0.457 41.590 42.059 -0.021 0.000 0.899 477 L HN 0.289 nan 8.230 nan 0.000 0.433 478 L N -0.571 120.615 121.223 -0.063 0.000 1.990 478 L HA -0.251 4.071 4.340 -0.030 0.000 0.213 478 L C 2.796 179.551 176.870 -0.191 0.000 1.072 478 L CA 1.372 56.162 54.840 -0.083 0.000 0.755 478 L CB -0.643 41.387 42.059 -0.048 0.000 0.889 478 L HN 0.298 nan 8.230 nan 0.000 0.432 479 E N 0.031 120.101 120.200 -0.216 0.000 2.031 479 E HA -0.265 4.067 4.350 -0.030 0.000 0.193 479 E C 2.026 178.352 176.600 -0.457 0.000 0.994 479 E CA 1.386 57.529 56.400 -0.428 0.000 0.800 479 E CB -0.232 29.376 29.700 -0.153 0.000 0.752 479 E HN 0.435 nan 8.360 nan 0.000 0.447 480 E N 0.904 120.986 120.200 -0.197 0.000 2.097 480 E HA -0.198 4.135 4.350 -0.030 0.000 0.196 480 E C 2.105 178.634 176.600 -0.119 0.000 1.000 480 E CA 1.378 57.709 56.400 -0.115 0.000 0.804 480 E CB -0.206 29.458 29.700 -0.059 0.000 0.740 480 E HN 0.168 nan 8.360 nan 0.000 0.454 481 M N 0.042 119.563 119.600 -0.132 0.000 2.084 481 M HA -0.247 4.215 4.480 -0.030 0.000 0.259 481 M C 2.084 178.339 176.300 -0.075 0.000 1.072 481 M CA 1.896 57.144 55.300 -0.086 0.000 1.107 481 M CB -0.103 32.455 32.600 -0.071 0.000 1.299 481 M HN -0.004 nan 8.290 nan 0.000 0.413 482 K N -1.422 118.900 120.400 -0.130 0.000 2.167 482 K HA -0.127 4.176 4.320 -0.030 0.000 0.203 482 K C 1.757 178.473 176.600 0.193 0.000 1.052 482 K CA 1.004 57.307 56.287 0.027 0.000 0.956 482 K CB -0.030 32.534 32.500 0.106 0.000 0.735 482 K HN 0.505 nan 8.250 nan 0.000 0.451 483 H N 0.004 119.076 119.070 0.002 0.000 2.268 483 H HA 0.119 4.657 4.556 -0.030 0.000 0.313 483 H C -1.243 174.085 175.328 -0.000 0.000 1.056 483 H CA -0.235 55.813 56.048 0.000 0.000 1.369 483 H CB -1.981 27.781 29.762 0.001 0.000 1.422 483 H HN 0.055 nan 8.280 nan 0.000 0.520 484 P HA 0.002 nan 4.420 nan 0.000 0.272 484 P C 0.271 177.596 177.300 0.042 0.000 1.243 484 P CA 0.121 63.260 63.100 0.064 0.000 0.803 484 P CB 0.348 32.073 31.700 0.041 0.000 0.974 485 S N 0.381 116.097 115.700 0.027 0.000 2.596 485 S HA 0.076 4.528 4.470 -0.030 0.000 0.260 485 S C 1.403 176.011 174.600 0.013 0.000 1.336 485 S CA -0.400 57.811 58.200 0.018 0.000 0.993 485 S CB 0.384 63.591 63.200 0.011 0.000 0.923 485 S HN 0.220 nan 8.310 nan 0.000 0.567 486 R N 1.625 122.130 120.500 0.009 0.000 2.222 486 R HA -0.266 4.057 4.340 -0.030 0.000 0.235 486 R C 2.547 178.849 176.300 0.003 0.000 1.112 486 R CA 1.992 58.095 56.100 0.005 0.000 0.897 486 R CB -2.256 28.046 30.300 0.002 0.000 0.882 486 R HN 0.932 nan 8.270 nan 0.000 0.429 487 A N 1.789 124.610 122.820 0.002 0.000 2.182 487 A HA -0.317 3.985 4.320 -0.030 0.000 0.235 487 A C 2.181 179.766 177.584 0.001 0.000 1.757 487 A CA 2.839 54.877 52.037 0.001 0.000 0.923 487 A CB -0.957 18.044 19.000 0.002 0.000 0.784 487 A HN 0.486 nan 8.150 nan 0.000 0.514 488 R N -0.190 120.312 120.500 0.002 0.000 2.148 488 R HA -0.130 4.192 4.340 -0.030 0.000 0.227 488 R C 2.376 178.674 176.300 -0.003 0.000 1.103 488 R CA 1.370 57.470 56.100 0.001 0.000 0.983 488 R CB -0.441 29.860 30.300 0.003 0.000 0.874 488 R HN 0.860 nan 8.270 nan 0.000 0.451 489 R N 0.806 121.304 120.500 -0.003 0.000 2.115 489 R HA 0.069 4.391 4.340 -0.030 0.000 0.226 489 R C 2.023 178.318 176.300 -0.008 0.000 1.100 489 R CA 1.202 57.296 56.100 -0.010 0.000 0.980 489 R CB -0.274 30.022 30.300 -0.006 0.000 0.875 489 R HN 0.075 nan 8.270 nan 0.000 0.445 490 A N 2.631 125.449 122.820 -0.004 0.000 1.898 490 A HA -0.160 4.142 4.320 -0.030 0.000 0.216 490 A C 2.190 179.772 177.584 -0.004 0.000 1.181 490 A CA 1.503 53.538 52.037 -0.003 0.000 0.620 490 A CB -0.490 18.508 19.000 -0.002 0.000 0.819 490 A HN 0.380 nan 8.150 nan 0.000 0.442 491 K N 0.385 120.783 120.400 -0.004 0.000 2.097 491 K HA -0.067 4.236 4.320 -0.030 0.000 0.206 491 K C 1.984 178.581 176.600 -0.005 0.000 1.049 491 K CA 1.565 57.849 56.287 -0.004 0.000 0.933 491 K CB -0.469 32.030 32.500 -0.003 0.000 0.717 491 K HN 0.308 nan 8.250 nan 0.000 0.442 492 A N 1.645 124.461 122.820 -0.007 0.000 1.969 492 A HA -0.111 4.191 4.320 -0.030 0.000 0.218 492 A C 2.258 179.837 177.584 -0.008 0.000 1.169 492 A CA 1.319 53.351 52.037 -0.010 0.000 0.635 492 A CB -0.483 18.506 19.000 -0.019 0.000 0.810 492 A HN 0.455 nan 8.150 nan 0.000 0.445 493 R N -0.132 120.364 120.500 -0.007 0.000 2.115 493 R HA -0.029 4.293 4.340 -0.030 0.000 0.230 493 R C 1.739 178.038 176.300 -0.001 0.000 1.111 493 R CA 1.409 57.508 56.100 -0.003 0.000 0.976 493 R CB -0.132 30.169 30.300 0.001 0.000 0.870 493 R HN 0.420 nan 8.270 nan 0.000 0.445 494 K N -0.401 119.996 120.400 -0.004 0.000 2.365 494 K HA -0.061 4.242 4.320 -0.030 0.000 0.197 494 K C 1.853 178.447 176.600 -0.009 0.000 1.042 494 K CA 0.534 56.816 56.287 -0.008 0.000 0.987 494 K CB 0.180 32.673 32.500 -0.011 0.000 0.779 494 K HN 0.104 nan 8.250 nan 0.000 0.484 495 R N 0.680 121.179 120.500 -0.002 0.000 2.290 495 R HA 0.089 4.411 4.340 -0.030 0.000 0.197 495 R C 1.840 178.147 176.300 0.012 0.000 0.913 495 R CA 0.141 56.244 56.100 0.006 0.000 1.040 495 R CB 0.266 30.570 30.300 0.007 0.000 0.992 495 R HN 0.081 nan 8.270 nan 0.000 0.500 496 L N 0.536 121.763 121.223 0.006 0.000 2.446 496 L HA 0.119 4.441 4.340 -0.030 0.000 0.219 496 L C 1.469 178.344 176.870 0.008 0.000 1.116 496 L CA 0.844 55.690 54.840 0.010 0.000 0.844 496 L CB 0.159 42.221 42.059 0.004 0.000 0.970 496 L HN 0.121 nan 8.230 nan 0.000 0.457 497 E N -0.424 119.774 120.200 -0.004 0.000 2.007 497 E HA -0.249 4.083 4.350 -0.030 0.000 0.194 497 E C 2.169 178.742 176.600 -0.046 0.000 0.999 497 E CA 1.665 58.052 56.400 -0.022 0.000 0.811 497 E CB -0.643 29.039 29.700 -0.031 0.000 0.762 497 E HN 0.430 nan 8.360 nan 0.000 0.450 498 V N 1.506 121.386 119.914 -0.056 0.000 2.332 498 V HA -0.219 3.884 4.120 -0.030 0.000 0.248 498 V C 2.270 178.379 176.094 0.025 0.000 1.055 498 V CA 1.774 64.006 62.300 -0.113 0.000 1.038 498 V CB -0.278 31.506 31.823 -0.066 0.000 0.651 498 V HN 0.098 nan 8.190 nan 0.000 0.450 499 V N 0.659 120.648 119.914 0.125 0.000 2.490 499 V HA -0.151 3.951 4.120 -0.030 0.000 0.250 499 V C 2.879 179.050 176.094 0.129 0.000 1.061 499 V CA 2.237 64.649 62.300 0.186 0.000 1.064 499 V CB -1.021 30.858 31.823 0.093 0.000 0.670 499 V HN 0.492 nan 8.190 nan 0.000 0.461 500 R N 0.253 120.786 120.500 0.056 0.000 2.073 500 R HA 0.055 4.377 4.340 -0.030 0.000 0.229 500 R C 2.433 178.747 176.300 0.023 0.000 1.120 500 R CA 1.413 57.534 56.100 0.036 0.000 0.967 500 R CB -0.913 29.397 30.300 0.016 0.000 0.862 500 R HN 0.522 nan 8.270 nan 0.000 0.436 501 A N 0.529 123.329 122.820 -0.033 0.000 1.877 501 A HA -0.122 4.180 4.320 -0.030 0.000 0.216 501 A C 2.138 179.698 177.584 -0.041 0.000 1.186 501 A CA 1.110 53.091 52.037 -0.092 0.000 0.620 501 A CB -0.810 18.056 19.000 -0.223 0.000 0.822 501 A HN 0.241 nan 8.150 nan 0.000 0.443 502 F N -0.386 119.537 119.950 -0.046 0.000 2.161 502 F HA -0.110 4.400 4.527 -0.029 0.000 0.300 502 F C 1.905 177.676 175.800 -0.049 0.000 1.089 502 F CA 0.927 58.893 58.000 -0.057 0.000 1.282 502 F CB -0.044 38.910 39.000 -0.077 0.000 1.010 502 F HN 0.104 nan 8.300 nan 0.000 0.485 503 L N -0.986 120.343 121.223 0.175 0.000 2.591 503 L HA -0.008 4.315 4.340 -0.030 0.000 0.228 503 L C 1.075 177.979 176.870 0.056 0.000 1.133 503 L CA 0.001 54.892 54.840 0.085 0.000 0.880 503 L CB -0.329 41.765 42.059 0.060 0.000 1.033 503 L HN 0.132 nan 8.230 nan 0.000 0.450 504 D N -1.209 119.222 120.400 0.051 0.000 2.440 504 D HA -0.023 4.600 4.640 -0.030 0.000 0.282 504 D C 1.142 177.466 176.300 0.040 0.000 1.189 504 D CA 0.076 54.096 54.000 0.033 0.000 1.105 504 D CB 1.329 42.138 40.800 0.015 0.000 1.173 504 D HN -0.200 nan 8.370 nan 0.000 0.577 505 S N -1.037 114.683 115.700 0.033 0.000 2.465 505 S HA -0.028 4.424 4.470 -0.030 0.000 0.241 505 S C 1.108 175.742 174.600 0.057 0.000 1.000 505 S CA 1.100 59.325 58.200 0.042 0.000 0.964 505 S CB -0.808 62.414 63.200 0.035 0.000 0.763 505 S HN 0.466 nan 8.310 nan 0.000 0.512 506 G N 1.187 110.020 108.800 0.054 0.000 2.647 506 G HA2 0.080 4.022 3.960 -0.030 0.000 0.234 506 G HA3 0.080 4.022 3.960 -0.030 0.000 0.234 506 G C -0.133 174.841 174.900 0.124 0.000 1.252 506 G CA -0.441 44.703 45.100 0.074 0.000 0.846 506 G HN 0.613 nan 8.290 nan 0.000 0.589 507 N N -0.591 118.210 118.700 0.169 0.000 2.371 507 N HA 0.155 4.877 4.740 -0.030 0.000 0.243 507 N C 0.198 175.802 175.510 0.155 0.000 1.287 507 N CA -0.187 52.995 53.050 0.219 0.000 0.911 507 N CB 0.776 39.461 38.487 0.331 0.000 1.142 507 N HN 0.325 nan 8.380 nan 0.000 0.451 508 R N 1.398 121.891 120.500 -0.012 0.000 2.254 508 R HA 0.153 4.476 4.340 -0.030 0.000 0.318 508 R C -1.511 174.172 176.300 -1.028 0.000 1.031 508 R CA -1.704 54.164 56.100 -0.387 0.000 0.905 508 R CB 0.954 31.038 30.300 -0.359 0.000 1.050 508 R HN 0.428 nan 8.270 nan 0.000 0.456 509 P HA -0.208 nan 4.420 nan 0.000 0.228 509 P C -0.254 176.624 177.300 -0.703 0.000 1.143 509 P CA 1.146 63.625 63.100 -1.034 0.000 0.771 509 P CB 0.393 31.021 31.700 -1.786 0.000 0.764 510 E N -1.318 118.336 120.200 -0.911 0.000 2.427 510 E HA -0.099 4.233 4.350 -0.030 0.000 0.196 510 E C 1.790 178.453 176.600 0.105 0.000 1.028 510 E CA 0.778 56.934 56.400 -0.407 0.000 0.864 510 E CB -0.831 28.638 29.700 -0.385 0.000 0.813 510 E HN 0.567 nan 8.360 nan 0.000 0.514 511 W N 0.199 121.500 121.300 0.002 0.000 2.425 511 W HA -0.046 4.596 4.660 -0.030 0.000 0.277 511 W C 1.768 178.339 176.519 0.088 0.000 1.231 511 W CA -0.176 57.189 57.345 0.033 0.000 1.248 511 W CB -0.325 29.175 29.460 0.067 0.000 1.117 511 W HN 0.042 nan 8.180 nan 0.000 0.568 512 M N 0.418 120.244 119.600 0.376 0.000 2.331 512 M HA -0.154 4.308 4.480 -0.030 0.000 0.260 512 M C 0.552 176.988 176.300 0.225 0.000 1.072 512 M CA 1.321 56.870 55.300 0.414 0.000 1.065 512 M CB -0.758 32.157 32.600 0.526 0.000 1.392 512 M HN -0.083 nan 8.290 nan 0.000 0.427 513 I N 0.565 121.236 120.570 0.169 0.000 2.519 513 I HA 0.129 4.282 4.170 -0.030 0.000 0.287 513 I C -0.191 175.941 176.117 0.024 0.000 1.047 513 I CA -0.159 61.190 61.300 0.082 0.000 1.381 513 I CB 0.812 38.846 38.000 0.057 0.000 1.417 513 I HN 0.047 nan 8.210 nan 0.000 0.540 514 L N 6.214 127.418 121.223 -0.031 0.000 2.294 514 L HA 0.308 4.630 4.340 -0.030 0.000 0.283 514 L C 0.771 177.594 176.870 -0.078 0.000 1.015 514 L CA -0.075 54.714 54.840 -0.085 0.000 0.831 514 L CB 1.213 43.192 42.059 -0.133 0.000 1.217 514 L HN 0.776 nan 8.230 nan 0.000 0.420 515 E N 2.508 122.657 120.200 -0.086 0.000 2.539 515 E HA 0.297 4.629 4.350 -0.030 0.000 0.215 515 E C 0.107 176.660 176.600 -0.079 0.000 0.965 515 E CA -0.196 56.158 56.400 -0.076 0.000 1.019 515 E CB 1.066 30.724 29.700 -0.070 0.000 1.059 515 E HN 0.435 nan 8.360 nan 0.000 0.496 516 A N 1.519 124.273 122.820 -0.109 0.000 2.522 516 A HA 0.454 4.757 4.320 -0.030 0.000 0.285 516 A C -0.683 176.844 177.584 -0.096 0.000 1.198 516 A CA -0.618 51.361 52.037 -0.096 0.000 0.742 516 A CB 1.283 20.172 19.000 -0.184 0.000 1.176 516 A HN 0.068 nan 8.150 nan 0.000 0.444 517 V N 4.591 124.493 119.914 -0.020 0.000 2.439 517 V HA 0.206 4.309 4.120 -0.030 0.000 0.271 517 V C -2.076 174.069 176.094 0.086 0.000 1.040 517 V CA -0.978 61.327 62.300 0.008 0.000 1.002 517 V CB 0.762 32.614 31.823 0.048 0.000 1.000 517 V HN 0.707 nan 8.190 nan 0.000 0.477 518 P HA 0.212 nan 4.420 nan 0.000 0.271 518 P C -0.794 176.654 177.300 0.248 0.000 1.218 518 P CA -0.098 63.128 63.100 0.210 0.000 0.780 518 P CB 0.728 32.636 31.700 0.347 0.000 0.901 519 V N 4.155 124.216 119.914 0.245 0.000 2.407 519 V HA 0.203 4.306 4.120 -0.030 0.000 0.291 519 V C 0.302 176.479 176.094 0.139 0.000 1.018 519 V CA -0.904 61.488 62.300 0.153 0.000 0.842 519 V CB 1.214 33.014 31.823 -0.039 0.000 0.996 519 V HN 0.464 nan 8.190 nan 0.000 0.426 520 L N 8.221 129.536 121.223 0.154 0.000 2.529 520 L HA 0.268 4.591 4.340 -0.030 0.000 0.287 520 L C -2.115 174.701 176.870 -0.091 0.000 1.241 520 L CA -0.036 54.855 54.840 0.085 0.000 0.857 520 L CB 0.118 42.260 42.059 0.138 0.000 1.113 520 L HN 0.411 nan 8.230 nan 0.000 0.504 521 P HA -0.076 nan 4.420 nan 0.000 0.271 521 P C -2.283 174.762 177.300 -0.424 0.000 1.197 521 P CA -0.214 62.787 63.100 -0.165 0.000 0.777 521 P CB 0.100 31.781 31.700 -0.032 0.000 0.827 522 P HA -0.060 nan 4.420 nan 0.000 0.214 522 P C 0.691 177.780 177.300 -0.352 0.000 1.167 522 P CA 1.251 63.918 63.100 -0.722 0.000 0.882 522 P CB 0.019 31.262 31.700 -0.762 0.000 0.777 523 D N -1.009 119.264 120.400 -0.211 0.000 2.309 523 D HA -0.061 4.561 4.640 -0.030 0.000 0.212 523 D C 1.694 177.950 176.300 -0.072 0.000 0.968 523 D CA 0.772 54.710 54.000 -0.103 0.000 0.882 523 D CB -0.481 40.252 40.800 -0.111 0.000 0.918 523 D HN 0.145 nan 8.370 nan 0.000 0.503 524 L N -0.100 121.068 121.223 -0.092 0.000 2.341 524 L HA 0.052 4.375 4.340 -0.030 0.000 0.214 524 L C 0.831 177.689 176.870 -0.020 0.000 1.115 524 L CA 0.472 55.290 54.840 -0.037 0.000 0.820 524 L CB -0.007 42.042 42.059 -0.017 0.000 0.944 524 L HN 0.011 nan 8.230 nan 0.000 0.452 525 R N -0.617 119.848 120.500 -0.058 0.000 2.868 525 R HA 0.389 4.711 4.340 -0.030 0.000 0.289 525 R C -2.779 173.579 176.300 0.097 0.000 1.443 525 R CA -1.762 54.345 56.100 0.012 0.000 1.651 525 R CB -0.253 30.044 30.300 -0.005 0.000 1.242 525 R HN -0.100 nan 8.270 nan 0.000 0.621 526 P HA -0.105 nan 4.420 nan 0.000 0.267 526 P C -0.660 176.759 177.300 0.200 0.000 1.201 526 P CA -0.045 63.154 63.100 0.165 0.000 0.775 526 P CB 0.471 32.225 31.700 0.090 0.000 0.854 527 M N 3.541 123.241 119.600 0.167 0.000 2.016 527 M HA 0.262 4.724 4.480 -0.030 0.000 0.315 527 M C -1.583 174.779 176.300 0.102 0.000 0.930 527 M CA -0.529 54.789 55.300 0.030 0.000 0.899 527 M CB 0.211 32.636 32.600 -0.292 0.000 1.401 527 M HN -0.062 nan 8.290 nan 0.000 0.386 528 V N 2.272 122.271 119.914 0.142 0.000 2.732 528 V HA 0.519 4.622 4.120 -0.030 0.000 0.310 528 V C 0.053 176.233 176.094 0.142 0.000 1.053 528 V CA -0.929 61.447 62.300 0.127 0.000 0.957 528 V CB 1.815 33.678 31.823 0.066 0.000 1.018 528 V HN 0.561 nan 8.190 nan 0.000 0.452 529 Q N 1.225 121.042 119.800 0.028 0.000 2.349 529 Q HA 0.357 4.680 4.340 -0.030 0.000 0.254 529 Q C 0.127 176.034 176.000 -0.156 0.000 0.980 529 Q CA -0.235 55.456 55.803 -0.188 0.000 0.924 529 Q CB 1.851 30.488 28.738 -0.168 0.000 1.209 529 Q HN 0.708 nan 8.270 nan 0.000 0.445 530 V N 1.332 121.129 119.914 -0.194 0.000 2.465 530 V HA 0.080 4.182 4.120 -0.030 0.000 0.230 530 V C 0.294 176.313 176.094 -0.125 0.000 1.084 530 V CA 0.880 63.110 62.300 -0.118 0.000 1.092 530 V CB 0.285 32.059 31.823 -0.082 0.000 0.730 530 V HN 0.645 nan 8.190 nan 0.000 0.491 531 D N -1.010 119.302 120.400 -0.146 0.000 2.479 531 D HA 0.475 5.097 4.640 -0.030 0.000 0.246 531 D C 0.578 176.794 176.300 -0.140 0.000 1.336 531 D CA 0.932 54.862 54.000 -0.118 0.000 0.967 531 D CB 1.649 42.402 40.800 -0.078 0.000 1.275 531 D HN 0.418 nan 8.370 nan 0.000 0.577 532 G N 3.131 111.846 108.800 -0.141 0.000 3.879 532 G HA2 -0.343 3.599 3.960 -0.030 0.000 0.318 532 G HA3 -0.343 3.599 3.960 -0.030 0.000 0.318 532 G C 0.909 175.685 174.900 -0.207 0.000 1.344 532 G CA 0.503 45.523 45.100 -0.134 0.000 1.024 532 G HN 0.684 nan 8.290 nan 0.000 0.681 533 G N 0.330 109.004 108.800 -0.210 0.000 3.104 533 G HA2 0.436 4.378 3.960 -0.030 0.000 0.237 533 G HA3 0.436 4.378 3.960 -0.030 0.000 0.237 533 G C 0.625 175.284 174.900 -0.401 0.000 1.035 533 G CA 0.471 45.395 45.100 -0.294 0.000 0.844 533 G HN 0.688 nan 8.290 nan 0.000 0.531 534 R N 0.620 120.957 120.500 -0.272 0.000 2.458 534 R HA 0.301 4.623 4.340 -0.030 0.000 0.303 534 R C -0.867 175.257 176.300 -0.292 0.000 1.013 534 R CA 0.109 56.105 56.100 -0.174 0.000 1.026 534 R CB 0.268 30.511 30.300 -0.095 0.000 0.948 534 R HN 0.144 nan 8.270 nan 0.000 0.417 535 F N 0.934 120.871 119.950 -0.022 0.000 2.450 535 F HA 0.609 5.118 4.527 -0.030 0.000 0.328 535 F C 0.489 176.278 175.800 -0.018 0.000 1.068 535 F CA -0.674 57.311 58.000 -0.025 0.000 1.007 535 F CB 1.653 40.631 39.000 -0.038 0.000 1.251 535 F HN 0.456 nan 8.300 nan 0.000 0.492 536 A N 1.219 124.156 122.820 0.194 0.000 2.437 536 A HA 0.613 4.915 4.320 -0.030 0.000 0.293 536 A C -0.873 176.773 177.584 0.103 0.000 1.038 536 A CA -0.516 51.588 52.037 0.111 0.000 0.708 536 A CB 1.508 20.547 19.000 0.066 0.000 1.251 536 A HN 0.650 nan 8.150 nan 0.000 0.409 537 T N 0.645 115.253 114.554 0.090 0.000 2.916 537 T HA 0.598 4.930 4.350 -0.030 0.000 0.292 537 T C 0.039 174.796 174.700 0.095 0.000 1.055 537 T CA -0.236 61.923 62.100 0.099 0.000 1.009 537 T CB 1.107 70.032 68.868 0.097 0.000 1.118 537 T HN 0.683 nan 8.240 nan 0.000 0.497 538 S N 3.173 118.939 115.700 0.110 0.000 2.515 538 S HA 0.046 4.498 4.470 -0.030 0.000 0.285 538 S C 1.128 175.786 174.600 0.097 0.000 1.265 538 S CA -0.425 57.831 58.200 0.093 0.000 1.079 538 S CB 0.448 63.703 63.200 0.092 0.000 0.877 538 S HN 0.738 nan 8.310 nan 0.000 0.493 539 D N 2.270 122.713 120.400 0.072 0.000 2.322 539 D HA -0.141 4.481 4.640 -0.030 0.000 0.210 539 D C 1.579 177.915 176.300 0.059 0.000 0.983 539 D CA 0.909 54.945 54.000 0.060 0.000 0.902 539 D CB 0.059 40.884 40.800 0.042 0.000 0.905 539 D HN 0.523 nan 8.370 nan 0.000 0.483 540 L N 0.701 121.967 121.223 0.072 0.000 2.131 540 L HA -0.156 4.166 4.340 -0.030 0.000 0.210 540 L C 2.092 179.063 176.870 0.168 0.000 1.092 540 L CA 0.665 55.533 54.840 0.046 0.000 0.759 540 L CB -0.252 41.871 42.059 0.107 0.000 0.903 540 L HN 0.036 nan 8.230 nan 0.000 0.435 541 N N -0.200 118.645 118.700 0.241 0.000 2.364 541 N HA -0.189 4.533 4.740 -0.030 0.000 0.183 541 N C 1.215 176.842 175.510 0.194 0.000 1.022 541 N CA 1.179 54.401 53.050 0.287 0.000 0.883 541 N CB -0.056 38.582 38.487 0.251 0.000 0.965 541 N HN 0.338 nan 8.380 nan 0.000 0.438 542 D N 0.663 121.132 120.400 0.115 0.000 2.162 542 D HA 0.051 4.673 4.640 -0.030 0.000 0.203 542 D C 2.113 178.450 176.300 0.061 0.000 0.967 542 D CA 0.345 54.392 54.000 0.078 0.000 0.840 542 D CB 0.095 40.926 40.800 0.051 0.000 0.972 542 D HN 0.168 nan 8.370 nan 0.000 0.482 543 L N -0.650 120.583 121.223 0.017 0.000 2.109 543 L HA -0.138 4.184 4.340 -0.030 0.000 0.207 543 L C 2.033 178.892 176.870 -0.019 0.000 1.086 543 L CA 0.712 55.525 54.840 -0.045 0.000 0.760 543 L CB -0.421 41.549 42.059 -0.149 0.000 0.910 543 L HN 0.072 nan 8.230 nan 0.000 0.437 544 Y N 0.443 120.760 120.300 0.028 0.000 2.242 544 Y HA -0.150 4.382 4.550 -0.030 0.000 0.291 544 Y C 2.755 178.673 175.900 0.029 0.000 1.137 544 Y CA 1.048 59.163 58.100 0.025 0.000 1.181 544 Y CB -0.324 38.147 38.460 0.019 0.000 0.989 544 Y HN 0.033 nan 8.280 nan 0.000 0.527 545 R N -0.361 120.256 120.500 0.195 0.000 2.092 545 R HA -0.115 4.207 4.340 -0.030 0.000 0.231 545 R C 2.292 178.644 176.300 0.087 0.000 1.119 545 R CA 0.849 57.021 56.100 0.121 0.000 0.970 545 R CB -0.152 30.204 30.300 0.093 0.000 0.864 545 R HN 0.250 nan 8.270 nan 0.000 0.440 546 R N 0.965 121.509 120.500 0.074 0.000 2.103 546 R HA -0.177 4.145 4.340 -0.030 0.000 0.234 546 R C 2.318 178.648 176.300 0.051 0.000 1.132 546 R CA 1.217 57.347 56.100 0.050 0.000 0.925 546 R CB -1.177 29.143 30.300 0.033 0.000 0.842 546 R HN 0.166 nan 8.270 nan 0.000 0.430 547 L N 1.420 122.679 121.223 0.059 0.000 1.990 547 L HA -0.165 4.157 4.340 -0.030 0.000 0.213 547 L C 2.315 179.221 176.870 0.061 0.000 1.072 547 L CA 1.706 56.582 54.840 0.059 0.000 0.755 547 L CB -0.682 41.425 42.059 0.080 0.000 0.889 547 L HN 0.114 nan 8.230 nan 0.000 0.432 548 I N -0.302 120.318 120.570 0.082 0.000 2.163 548 I HA -0.327 3.826 4.170 -0.030 0.000 0.243 548 I C 2.318 178.459 176.117 0.039 0.000 1.085 548 I CA 1.729 63.065 61.300 0.060 0.000 1.347 548 I CB -1.442 36.599 38.000 0.069 0.000 1.044 548 I HN 0.455 nan 8.210 nan 0.000 0.408 549 N N 0.233 118.958 118.700 0.041 0.000 2.039 549 N HA -0.180 4.543 4.740 -0.030 0.000 0.193 549 N C 1.936 177.459 175.510 0.021 0.000 1.044 549 N CA 1.060 54.127 53.050 0.028 0.000 0.847 549 N CB 0.053 38.558 38.487 0.030 0.000 1.030 549 N HN 0.191 nan 8.380 nan 0.000 0.422 550 R N 1.117 121.631 120.500 0.023 0.000 2.112 550 R HA -0.153 4.169 4.340 -0.030 0.000 0.242 550 R C 1.830 178.135 176.300 0.009 0.000 1.137 550 R CA 1.196 57.305 56.100 0.016 0.000 0.944 550 R CB -1.583 28.727 30.300 0.018 0.000 0.857 550 R HN 0.349 nan 8.270 nan 0.000 0.435 551 N N 1.022 119.728 118.700 0.011 0.000 2.036 551 N HA -0.162 4.560 4.740 -0.030 0.000 0.195 551 N C 1.412 176.922 175.510 -0.000 0.000 1.037 551 N CA 1.655 54.708 53.050 0.003 0.000 0.855 551 N CB -0.435 38.057 38.487 0.009 0.000 1.033 551 N HN 0.199 nan 8.380 nan 0.000 0.423 552 N N 0.418 119.120 118.700 0.004 0.000 2.084 552 N HA -0.134 4.588 4.740 -0.030 0.000 0.190 552 N C 1.695 177.205 175.510 -0.001 0.000 1.030 552 N CA 0.667 53.718 53.050 0.000 0.000 0.849 552 N CB -0.425 38.064 38.487 0.003 0.000 1.012 552 N HN 0.350 nan 8.380 nan 0.000 0.423 553 R N 0.697 121.198 120.500 0.002 0.000 2.127 553 R HA -0.100 4.223 4.340 -0.030 0.000 0.238 553 R C 1.936 178.233 176.300 -0.004 0.000 1.134 553 R CA 0.687 56.787 56.100 -0.000 0.000 0.975 553 R CB -0.282 30.020 30.300 0.003 0.000 0.865 553 R HN 0.157 nan 8.270 nan 0.000 0.447 554 L N 1.661 122.880 121.223 -0.006 0.000 1.955 554 L HA -0.217 4.106 4.340 -0.030 0.000 0.213 554 L C 1.683 178.544 176.870 -0.014 0.000 1.072 554 L CA 2.055 56.888 54.840 -0.012 0.000 0.755 554 L CB -1.024 41.027 42.059 -0.015 0.000 0.888 554 L HN 0.133 nan 8.230 nan 0.000 0.432 555 K N -0.114 120.278 120.400 -0.013 0.000 2.059 555 K HA -0.246 4.056 4.320 -0.030 0.000 0.212 555 K C 2.037 178.629 176.600 -0.013 0.000 1.050 555 K CA 2.237 58.516 56.287 -0.014 0.000 0.927 555 K CB -0.176 32.316 32.500 -0.013 0.000 0.714 555 K HN 0.348 nan 8.250 nan 0.000 0.447 556 K N 0.674 121.068 120.400 -0.010 0.000 2.097 556 K HA -0.090 4.212 4.320 -0.030 0.000 0.206 556 K C 1.995 178.589 176.600 -0.010 0.000 1.049 556 K CA 1.067 57.348 56.287 -0.009 0.000 0.933 556 K CB -0.072 32.424 32.500 -0.007 0.000 0.717 556 K HN 0.100 nan 8.250 nan 0.000 0.442 557 L N 0.758 121.974 121.223 -0.011 0.000 2.376 557 L HA -0.082 4.240 4.340 -0.030 0.000 0.219 557 L C 2.009 178.870 176.870 -0.015 0.000 1.133 557 L CA 0.520 55.353 54.840 -0.012 0.000 0.816 557 L CB -0.157 41.895 42.059 -0.011 0.000 0.933 557 L HN 0.214 nan 8.230 nan 0.000 0.449 558 L N -0.949 120.265 121.223 -0.016 0.000 2.162 558 L HA -0.064 4.259 4.340 -0.030 0.000 0.205 558 L C 2.759 179.619 176.870 -0.017 0.000 1.086 558 L CA 0.859 55.689 54.840 -0.018 0.000 0.778 558 L CB -0.572 41.475 42.059 -0.020 0.000 0.928 558 L HN 0.223 nan 8.230 nan 0.000 0.446 559 A N -0.001 122.810 122.820 -0.015 0.000 1.825 559 A HA -0.273 4.030 4.320 -0.030 0.000 0.214 559 A C 2.093 179.669 177.584 -0.014 0.000 1.206 559 A CA 1.504 53.532 52.037 -0.014 0.000 0.609 559 A CB -0.761 18.231 19.000 -0.013 0.000 0.851 559 A HN 0.333 nan 8.150 nan 0.000 0.445 560 Q N -0.611 119.181 119.800 -0.012 0.000 2.404 560 Q HA 0.087 4.409 4.340 -0.030 0.000 0.214 560 Q C 0.623 176.615 176.000 -0.013 0.000 0.992 560 Q CA 1.319 57.115 55.803 -0.012 0.000 0.899 560 Q CB -0.590 28.141 28.738 -0.011 0.000 0.921 560 Q HN 1.355 nan 8.270 nan 0.000 0.453 561 G N -2.505 106.287 108.800 -0.015 0.000 2.627 561 G HA2 0.345 4.287 3.960 -0.030 0.000 0.680 561 G HA3 0.345 4.287 3.960 -0.030 0.000 0.680 561 G C -1.398 173.492 174.900 -0.018 0.000 1.341 561 G CA -0.536 44.554 45.100 -0.017 0.000 0.835 561 G HN 0.628 nan 8.290 nan 0.000 0.643 562 A N 3.223 126.031 122.820 -0.020 0.000 2.363 562 A HA 0.884 5.186 4.320 -0.030 0.000 0.296 562 A C -1.981 175.589 177.584 -0.023 0.000 1.237 562 A CA -1.330 50.694 52.037 -0.020 0.000 0.773 562 A CB 1.454 20.442 19.000 -0.020 0.000 1.153 562 A HN 0.714 nan 8.150 nan 0.000 0.473 563 P HA 0.188 nan 4.420 nan 0.000 0.275 563 P C 0.226 177.513 177.300 -0.022 0.000 1.227 563 P CA -0.098 62.986 63.100 -0.026 0.000 0.781 563 P CB 1.151 32.835 31.700 -0.026 0.000 0.906 564 E N 2.193 122.380 120.200 -0.021 0.000 2.051 564 E HA -0.146 4.186 4.350 -0.030 0.000 0.192 564 E C 1.834 178.428 176.600 -0.010 0.000 0.991 564 E CA 1.368 57.761 56.400 -0.011 0.000 0.799 564 E CB -0.993 28.708 29.700 0.002 0.000 0.748 564 E HN 0.470 nan 8.360 nan 0.000 0.449 565 I N 1.222 121.787 120.570 -0.008 0.000 2.194 565 I HA -0.248 3.904 4.170 -0.030 0.000 0.246 565 I C 2.523 178.637 176.117 -0.006 0.000 1.093 565 I CA 1.249 62.547 61.300 -0.003 0.000 1.355 565 I CB -0.759 37.240 38.000 -0.001 0.000 1.046 565 I HN -0.008 nan 8.210 nan 0.000 0.413 566 I N 0.369 120.933 120.570 -0.009 0.000 2.394 566 I HA -0.207 3.945 4.170 -0.030 0.000 0.251 566 I C 2.396 178.507 176.117 -0.011 0.000 1.136 566 I CA 1.382 62.677 61.300 -0.008 0.000 1.425 566 I CB -0.407 37.588 38.000 -0.009 0.000 1.079 566 I HN 0.199 nan 8.210 nan 0.000 0.425 567 I N 0.370 120.931 120.570 -0.015 0.000 2.286 567 I HA -0.222 3.930 4.170 -0.030 0.000 0.245 567 I C 2.738 178.840 176.117 -0.025 0.000 1.104 567 I CA 0.969 62.257 61.300 -0.021 0.000 1.397 567 I CB -0.434 37.551 38.000 -0.024 0.000 1.072 567 I HN 0.100 nan 8.210 nan 0.000 0.417 568 R N 1.790 122.274 120.500 -0.026 0.000 2.070 568 R HA -0.209 4.113 4.340 -0.030 0.000 0.232 568 R C 2.003 178.293 176.300 -0.018 0.000 1.138 568 R CA 2.257 58.336 56.100 -0.035 0.000 0.936 568 R CB -1.027 29.249 30.300 -0.040 0.000 0.839 568 R HN 0.374 nan 8.270 nan 0.000 0.429 569 N N -0.724 117.974 118.700 -0.004 0.000 2.096 569 N HA -0.285 4.437 4.740 -0.030 0.000 0.195 569 N C 1.593 177.109 175.510 0.010 0.000 1.017 569 N CA 1.861 54.917 53.050 0.010 0.000 0.870 569 N CB -0.127 38.367 38.487 0.011 0.000 1.024 569 N HN 0.361 nan 8.380 nan 0.000 0.434 570 E N 0.658 120.858 120.200 0.000 0.000 2.033 570 E HA -0.054 4.278 4.350 -0.030 0.000 0.189 570 E C 1.732 178.328 176.600 -0.007 0.000 0.979 570 E CA 1.109 57.508 56.400 -0.000 0.000 0.802 570 E CB 0.007 29.703 29.700 -0.006 0.000 0.763 570 E HN 0.185 nan 8.360 nan 0.000 0.449 571 K N 0.276 120.662 120.400 -0.024 0.000 2.173 571 K HA -0.235 4.067 4.320 -0.030 0.000 0.207 571 K C 2.293 178.868 176.600 -0.041 0.000 1.046 571 K CA 1.485 57.746 56.287 -0.043 0.000 0.929 571 K CB -0.151 32.310 32.500 -0.065 0.000 0.720 571 K HN 0.054 nan 8.250 nan 0.000 0.453 572 R N 0.773 121.266 120.500 -0.012 0.000 2.070 572 R HA -0.145 4.177 4.340 -0.030 0.000 0.232 572 R C 2.187 178.521 176.300 0.057 0.000 1.138 572 R CA 1.856 57.975 56.100 0.032 0.000 0.936 572 R CB -0.256 30.082 30.300 0.063 0.000 0.839 572 R HN 0.099 nan 8.270 nan 0.000 0.429 573 M N 0.798 120.427 119.600 0.048 0.000 2.082 573 M HA -0.206 4.256 4.480 -0.030 0.000 0.258 573 M C 2.308 178.633 176.300 0.042 0.000 1.069 573 M CA 1.472 56.803 55.300 0.052 0.000 1.102 573 M CB -0.492 32.130 32.600 0.036 0.000 1.336 573 M HN 0.246 nan 8.290 nan 0.000 0.404 574 L N 0.484 121.717 121.223 0.016 0.000 2.042 574 L HA -0.232 4.090 4.340 -0.030 0.000 0.210 574 L C 2.404 179.273 176.870 -0.002 0.000 1.076 574 L CA 2.085 56.927 54.840 0.004 0.000 0.749 574 L CB -1.072 40.979 42.059 -0.015 0.000 0.893 574 L HN 0.323 nan 8.230 nan 0.000 0.432 575 Q N 0.159 119.943 119.800 -0.027 0.000 2.014 575 Q HA -0.284 4.038 4.340 -0.030 0.000 0.207 575 Q C 2.303 178.327 176.000 0.041 0.000 0.993 575 Q CA 2.506 58.264 55.803 -0.075 0.000 0.850 575 Q CB -0.665 27.939 28.738 -0.223 0.000 0.916 575 Q HN 0.668 nan 8.270 nan 0.000 0.417 576 E N -0.601 119.686 120.200 0.145 0.000 2.070 576 E HA -0.256 4.076 4.350 -0.030 0.000 0.197 576 E C 1.794 178.467 176.600 0.121 0.000 1.004 576 E CA 1.383 57.911 56.400 0.214 0.000 0.805 576 E CB -0.333 29.480 29.700 0.189 0.000 0.744 576 E HN 0.453 nan 8.360 nan 0.000 0.451 577 A N 0.832 123.696 122.820 0.073 0.000 1.892 577 A HA -0.191 4.112 4.320 -0.030 0.000 0.218 577 A C 2.468 180.069 177.584 0.028 0.000 1.188 577 A CA 1.952 54.014 52.037 0.041 0.000 0.631 577 A CB -0.932 18.086 19.000 0.031 0.000 0.822 577 A HN 0.233 nan 8.150 nan 0.000 0.447 578 V N 0.773 120.703 119.914 0.028 0.000 2.982 578 V HA -0.218 3.884 4.120 -0.030 0.000 0.265 578 V C 1.724 177.843 176.094 0.042 0.000 1.122 578 V CA 2.003 64.312 62.300 0.015 0.000 1.143 578 V CB -0.862 30.961 31.823 0.001 0.000 0.726 578 V HN 0.527 nan 8.190 nan 0.000 0.507 579 D N 0.635 121.087 120.400 0.086 0.000 2.162 579 D HA -0.004 4.618 4.640 -0.030 0.000 0.205 579 D C 2.323 178.664 176.300 0.069 0.000 0.964 579 D CA 1.388 55.462 54.000 0.122 0.000 0.847 579 D CB -0.168 40.744 40.800 0.187 0.000 0.988 579 D HN 0.434 nan 8.370 nan 0.000 0.480 580 A N 1.965 124.810 122.820 0.041 0.000 1.873 580 A HA -0.186 4.117 4.320 -0.030 0.000 0.218 580 A C 2.414 179.965 177.584 -0.055 0.000 1.193 580 A CA 1.853 53.892 52.037 0.003 0.000 0.629 580 A CB -1.126 17.872 19.000 -0.004 0.000 0.826 580 A HN 0.366 nan 8.150 nan 0.000 0.447 581 L N -2.265 118.885 121.223 -0.122 0.000 2.275 581 L HA 0.006 4.329 4.340 -0.030 0.000 0.215 581 L C 2.077 178.864 176.870 -0.138 0.000 1.119 581 L CA 1.116 55.816 54.840 -0.232 0.000 0.790 581 L CB -0.563 41.212 42.059 -0.473 0.000 0.919 581 L HN 0.309 nan 8.230 nan 0.000 0.443 582 L N -0.507 120.679 121.223 -0.061 0.000 2.013 582 L HA 0.179 4.502 4.340 -0.030 0.000 0.204 582 L C 0.146 177.027 176.870 0.018 0.000 1.081 582 L CA 0.909 55.730 54.840 -0.033 0.000 0.751 582 L CB -0.250 41.835 42.059 0.044 0.000 0.901 582 L HN 0.194 nan 8.230 nan 0.000 0.440 583 D N -0.291 120.155 120.400 0.075 0.000 2.478 583 D HA 0.220 4.842 4.640 -0.030 0.000 0.240 583 D C -1.235 175.122 176.300 0.095 0.000 1.364 583 D CA -0.342 53.728 54.000 0.117 0.000 0.987 583 D CB 1.312 42.245 40.800 0.222 0.000 1.328 583 D HN -0.065 nan 8.370 nan 0.000 0.584 584 N N -0.150 118.590 118.700 0.067 0.000 2.508 584 N HA 0.427 5.149 4.740 -0.030 0.000 0.264 584 N C 1.374 176.916 175.510 0.053 0.000 1.216 584 N CA 1.247 54.329 53.050 0.052 0.000 0.943 584 N CB 1.022 39.530 38.487 0.036 0.000 1.113 584 N HN 0.645 nan 8.380 nan 0.000 0.447 585 G N 1.257 110.082 108.800 0.041 0.000 2.175 585 G HA2 -0.273 3.669 3.960 -0.030 0.000 0.244 585 G HA3 -0.273 3.669 3.960 -0.030 0.000 0.244 585 G C 1.121 176.035 174.900 0.024 0.000 0.982 585 G CA 0.062 45.181 45.100 0.031 0.000 0.641 585 G HN 0.570 nan 8.290 nan 0.000 0.527 586 R N -0.418 120.103 120.500 0.035 0.000 2.200 586 R HA 0.224 4.546 4.340 -0.030 0.000 0.208 586 R C 2.321 178.608 176.300 -0.022 0.000 1.033 586 R CA 1.073 57.184 56.100 0.019 0.000 1.000 586 R CB 0.101 30.431 30.300 0.051 0.000 0.906 586 R HN 0.409 nan 8.270 nan 0.000 0.462 587 R N -0.680 119.803 120.500 -0.028 0.000 2.517 587 R HA 0.156 4.478 4.340 -0.030 0.000 0.265 587 R C -0.268 175.996 176.300 -0.059 0.000 0.921 587 R CA 0.430 56.475 56.100 -0.092 0.000 1.054 587 R CB 1.528 31.729 30.300 -0.166 0.000 1.340 587 R HN 0.211 nan 8.270 nan 0.000 0.551 588 G N -0.560 108.229 108.800 -0.019 0.000 2.328 588 G HA2 0.434 4.376 3.960 -0.030 0.000 0.299 588 G HA3 0.434 4.376 3.960 -0.030 0.000 0.299 588 G C -1.983 172.924 174.900 0.012 0.000 1.435 588 G CA -0.318 44.778 45.100 -0.006 0.000 0.865 588 G HN 0.154 nan 8.290 nan 0.000 0.601 589 A N 0.729 123.558 122.820 0.014 0.000 2.318 589 A HA 0.903 5.205 4.320 -0.030 0.000 0.317 589 A C -2.402 175.195 177.584 0.022 0.000 1.159 589 A CA -1.349 50.701 52.037 0.020 0.000 0.799 589 A CB 1.114 20.126 19.000 0.020 0.000 1.194 589 A HN 0.477 nan 8.150 nan 0.000 0.479 590 P HA 0.453 nan 4.420 nan 0.000 0.272 590 P C -0.916 176.396 177.300 0.021 0.000 1.223 590 P CA -0.108 63.006 63.100 0.023 0.000 0.784 590 P CB 1.029 32.742 31.700 0.022 0.000 0.923 591 V N 0.181 120.108 119.914 0.021 0.000 2.841 591 V HA 0.340 4.442 4.120 -0.030 0.000 0.310 591 V C 0.100 176.207 176.094 0.022 0.000 1.090 591 V CA -0.808 61.505 62.300 0.021 0.000 0.930 591 V CB 1.752 33.586 31.823 0.019 0.000 1.014 591 V HN 0.466 nan 8.190 nan 0.000 0.425 592 T N 2.997 117.565 114.554 0.022 0.000 2.856 592 T HA 0.138 4.470 4.350 -0.030 0.000 0.306 592 T C 0.441 175.153 174.700 0.021 0.000 1.062 592 T CA -0.160 61.954 62.100 0.023 0.000 1.083 592 T CB 0.053 68.936 68.868 0.025 0.000 0.984 592 T HN 0.726 nan 8.240 nan 0.000 0.542 593 N N 2.118 120.830 118.700 0.020 0.000 2.381 593 N HA 0.121 4.843 4.740 -0.030 0.000 0.241 593 N C -2.443 173.077 175.510 0.016 0.000 1.279 593 N CA -1.423 51.638 53.050 0.017 0.000 0.896 593 N CB -0.519 37.977 38.487 0.016 0.000 1.118 593 N HN 0.347 nan 8.380 nan 0.000 0.438 594 P HA -0.113 nan 4.420 nan 0.000 0.247 594 P C 0.489 177.796 177.300 0.013 0.000 1.103 594 P CA 1.002 64.110 63.100 0.013 0.000 0.797 594 P CB -0.245 31.461 31.700 0.011 0.000 0.710 595 G N 1.393 110.201 108.800 0.013 0.000 4.227 595 G HA2 0.027 3.969 3.960 -0.030 0.000 0.200 595 G HA3 0.027 3.969 3.960 -0.030 0.000 0.200 595 G C -0.476 174.432 174.900 0.014 0.000 0.920 595 G CA 0.156 45.264 45.100 0.013 0.000 0.953 595 G HN 0.548 nan 8.290 nan 0.000 0.323 596 S N 1.944 117.654 115.700 0.016 0.000 2.779 596 S HA 0.493 4.945 4.470 -0.030 0.000 0.293 596 S C -1.711 172.900 174.600 0.018 0.000 1.150 596 S CA -0.717 57.494 58.200 0.017 0.000 1.057 596 S CB 1.861 65.072 63.200 0.019 0.000 1.021 596 S HN 0.157 nan 8.310 nan 0.000 0.485 597 D N 2.833 123.243 120.400 0.017 0.000 2.545 597 D HA 0.151 4.773 4.640 -0.030 0.000 0.227 597 D C 0.190 176.501 176.300 0.019 0.000 1.150 597 D CA 0.211 54.222 54.000 0.017 0.000 1.046 597 D CB 0.017 40.827 40.800 0.016 0.000 1.098 597 D HN 0.483 nan 8.370 nan 0.000 0.502 598 R N 1.621 122.133 120.500 0.021 0.000 2.621 598 R HA 0.408 4.730 4.340 -0.030 0.000 0.292 598 R C -2.857 173.457 176.300 0.024 0.000 0.969 598 R CA -1.885 54.228 56.100 0.023 0.000 0.887 598 R CB 1.679 31.993 30.300 0.024 0.000 1.180 598 R HN -0.093 nan 8.270 nan 0.000 0.450 599 P HA 0.031 nan 4.420 nan 0.000 0.266 599 P C -0.726 176.590 177.300 0.027 0.000 1.215 599 P CA 0.078 63.194 63.100 0.027 0.000 0.763 599 P CB 0.440 32.158 31.700 0.030 0.000 0.806 600 L N 4.095 125.331 121.223 0.023 0.000 2.530 600 L HA 0.140 4.462 4.340 -0.030 0.000 0.273 600 L C 1.224 178.105 176.870 0.018 0.000 1.141 600 L CA -0.407 54.445 54.840 0.020 0.000 0.905 600 L CB -0.167 41.900 42.059 0.012 0.000 1.202 600 L HN 0.368 nan 8.230 nan 0.000 0.473 601 R N 3.031 123.546 120.500 0.026 0.000 3.924 601 R HA -0.093 4.229 4.340 -0.030 0.000 0.279 601 R C 0.091 176.401 176.300 0.017 0.000 0.562 601 R CA 0.101 56.219 56.100 0.031 0.000 1.007 601 R CB -0.172 30.151 30.300 0.038 0.000 0.920 601 R HN 0.693 nan 8.270 nan 0.000 0.332 602 S N 3.619 119.332 115.700 0.022 0.000 2.614 602 S HA 0.102 4.554 4.470 -0.030 0.000 0.265 602 S C 1.497 176.108 174.600 0.018 0.000 1.303 602 S CA -0.990 57.212 58.200 0.004 0.000 1.000 602 S CB 0.957 64.172 63.200 0.026 0.000 0.935 602 S HN 0.577 nan 8.310 nan 0.000 0.551 603 L N 0.709 121.925 121.223 -0.012 0.000 2.043 603 L HA -0.149 4.174 4.340 -0.030 0.000 0.212 603 L C 2.923 179.828 176.870 0.058 0.000 1.075 603 L CA 1.607 56.449 54.840 0.003 0.000 0.752 603 L CB -0.751 41.281 42.059 -0.044 0.000 0.891 603 L HN 0.857 nan 8.230 nan 0.000 0.432 604 T N -1.161 113.460 114.554 0.110 0.000 2.915 604 T HA -0.148 4.184 4.350 -0.030 0.000 0.269 604 T C 1.271 176.087 174.700 0.192 0.000 1.071 604 T CA 1.239 63.483 62.100 0.240 0.000 1.132 604 T CB -0.213 68.960 68.868 0.510 0.000 0.878 604 T HN 0.367 nan 8.240 nan 0.000 0.479 605 D N 1.406 121.891 120.400 0.141 0.000 2.158 605 D HA -0.079 4.543 4.640 -0.030 0.000 0.197 605 D C 1.800 178.164 176.300 0.108 0.000 0.995 605 D CA 0.935 55.003 54.000 0.114 0.000 0.846 605 D CB -0.375 40.476 40.800 0.085 0.000 0.941 605 D HN 0.506 nan 8.370 nan 0.000 0.456 606 I N -0.344 120.285 120.570 0.099 0.000 2.676 606 I HA -0.126 4.027 4.170 -0.030 0.000 0.259 606 I C 2.079 178.263 176.117 0.112 0.000 1.194 606 I CA 0.518 61.874 61.300 0.092 0.000 1.473 606 I CB -0.146 37.898 38.000 0.074 0.000 1.096 606 I HN -0.004 nan 8.210 nan 0.000 0.443 607 L N 0.395 121.701 121.223 0.138 0.000 2.121 607 L HA -0.067 4.255 4.340 -0.030 0.000 0.200 607 L C 2.841 179.805 176.870 0.157 0.000 1.077 607 L CA 1.343 56.280 54.840 0.161 0.000 0.766 607 L CB -0.459 41.731 42.059 0.218 0.000 0.931 607 L HN 0.272 nan 8.230 nan 0.000 0.452 608 S N 0.036 115.828 115.700 0.153 0.000 2.428 608 S HA -0.013 4.439 4.470 -0.030 0.000 0.230 608 S C 1.323 176.001 174.600 0.131 0.000 1.014 608 S CA 0.579 58.843 58.200 0.105 0.000 0.957 608 S CB -0.403 62.854 63.200 0.096 0.000 0.784 608 S HN 0.566 nan 8.310 nan 0.000 0.499 609 G N 1.571 110.457 108.800 0.143 0.000 2.531 609 G HA2 -0.222 3.721 3.960 -0.030 0.000 0.283 609 G HA3 -0.222 3.721 3.960 -0.030 0.000 0.283 609 G C 0.196 175.174 174.900 0.131 0.000 1.068 609 G CA 0.308 45.498 45.100 0.150 0.000 1.273 609 G HN 0.525 nan 8.290 nan 0.000 0.532 610 K N -0.676 119.786 120.400 0.102 0.000 2.366 610 K HA 0.016 4.318 4.320 -0.030 0.000 0.198 610 K C 2.104 178.749 176.600 0.076 0.000 1.044 610 K CA 1.153 57.492 56.287 0.086 0.000 0.973 610 K CB 0.153 32.699 32.500 0.077 0.000 0.767 610 K HN 0.509 nan 8.250 nan 0.000 0.475 611 Q N -1.112 118.732 119.800 0.074 0.000 2.220 611 Q HA 0.140 4.463 4.340 -0.030 0.000 0.205 611 Q C 0.072 176.110 176.000 0.062 0.000 0.865 611 Q CA 0.295 56.134 55.803 0.060 0.000 0.960 611 Q CB 1.449 30.217 28.738 0.051 0.000 1.097 611 Q HN 0.406 nan 8.270 nan 0.000 0.493 612 G N 0.604 109.453 108.800 0.082 0.000 2.141 612 G HA2 -0.282 3.660 3.960 -0.030 0.000 0.195 612 G HA3 -0.282 3.660 3.960 -0.030 0.000 0.195 612 G C 0.614 175.555 174.900 0.068 0.000 1.012 612 G CA 0.203 45.351 45.100 0.081 0.000 0.696 612 G HN 0.335 nan 8.290 nan 0.000 0.508 613 R N -0.823 119.733 120.500 0.093 0.000 2.148 613 R HA 0.098 4.420 4.340 -0.030 0.000 0.223 613 R C 2.144 178.500 176.300 0.093 0.000 1.088 613 R CA 1.555 57.703 56.100 0.079 0.000 0.985 613 R CB -0.256 30.100 30.300 0.093 0.000 0.880 613 R HN 0.508 nan 8.270 nan 0.000 0.451 614 F N 1.467 121.424 119.950 0.011 0.000 2.146 614 F HA -0.088 4.422 4.527 -0.029 0.000 0.298 614 F C 2.018 177.805 175.800 -0.021 0.000 1.096 614 F CA 1.254 59.251 58.000 -0.005 0.000 1.275 614 F CB -0.094 38.901 39.000 -0.008 0.000 1.008 614 F HN -0.125 nan 8.300 nan 0.000 0.480 615 R N 0.513 120.861 120.500 -0.254 0.000 2.120 615 R HA -0.184 4.139 4.340 -0.030 0.000 0.234 615 R C 2.280 178.421 176.300 -0.266 0.000 1.123 615 R CA 1.438 57.346 56.100 -0.321 0.000 0.975 615 R CB -1.115 29.131 30.300 -0.089 0.000 0.866 615 R HN 0.513 nan 8.270 nan 0.000 0.446 616 Q N 0.299 120.005 119.800 -0.158 0.000 2.083 616 Q HA -0.091 4.231 4.340 -0.030 0.000 0.198 616 Q C 1.879 177.793 176.000 -0.142 0.000 0.969 616 Q CA 0.955 56.691 55.803 -0.111 0.000 0.838 616 Q CB -0.037 28.672 28.738 -0.048 0.000 0.900 616 Q HN 0.259 nan 8.270 nan 0.000 0.436 617 N N 0.522 119.124 118.700 -0.163 0.000 2.104 617 N HA -0.148 4.574 4.740 -0.030 0.000 0.190 617 N C 1.479 176.859 175.510 -0.217 0.000 1.024 617 N CA 1.015 53.981 53.050 -0.140 0.000 0.853 617 N CB -0.058 38.391 38.487 -0.063 0.000 1.008 617 N HN 0.274 nan 8.380 nan 0.000 0.424 618 L N 1.227 122.200 121.223 -0.416 0.000 2.611 618 L HA 0.107 4.430 4.340 -0.030 0.000 0.229 618 L C 1.962 178.676 176.870 -0.259 0.000 1.137 618 L CA -0.128 54.494 54.840 -0.364 0.000 0.901 618 L CB 0.093 41.830 42.059 -0.537 0.000 1.098 618 L HN 0.181 nan 8.230 nan 0.000 0.456 619 L N -0.412 120.681 121.223 -0.216 0.000 2.418 619 L HA 0.358 4.680 4.340 -0.030 0.000 0.218 619 L C 0.708 177.521 176.870 -0.094 0.000 1.125 619 L CA 0.616 55.374 54.840 -0.136 0.000 0.835 619 L CB 0.135 42.129 42.059 -0.108 0.000 0.953 619 L HN 0.141 nan 8.230 nan 0.000 0.454 620 G N 0.260 109.001 108.800 -0.098 0.000 2.465 620 G HA2 -0.073 3.869 3.960 -0.030 0.000 0.681 620 G HA3 -0.073 3.869 3.960 -0.030 0.000 0.681 620 G C -1.232 173.640 174.900 -0.047 0.000 1.340 620 G CA -0.645 44.415 45.100 -0.066 0.000 0.884 620 G HN 0.172 nan 8.290 nan 0.000 0.650 621 K N -0.249 120.129 120.400 -0.036 0.000 2.240 621 K HA 0.736 5.039 4.320 -0.030 0.000 0.237 621 K C 0.489 177.082 176.600 -0.011 0.000 1.027 621 K CA -0.762 55.512 56.287 -0.022 0.000 0.937 621 K CB 0.927 33.414 32.500 -0.020 0.000 1.171 621 K HN 0.486 nan 8.250 nan 0.000 0.479 622 R N 0.631 121.128 120.500 -0.006 0.000 2.387 622 R HA 0.326 4.649 4.340 -0.030 0.000 0.314 622 R C -0.945 175.361 176.300 0.011 0.000 0.958 622 R CA -0.763 55.340 56.100 0.005 0.000 0.846 622 R CB 1.749 32.045 30.300 -0.007 0.000 1.147 622 R HN 0.234 nan 8.270 nan 0.000 0.447 623 V N 2.945 122.888 119.914 0.047 0.000 2.715 623 V HA -0.077 4.025 4.120 -0.030 0.000 0.299 623 V C 0.865 176.965 176.094 0.010 0.000 1.054 623 V CA 0.511 62.851 62.300 0.068 0.000 1.077 623 V CB 1.245 33.183 31.823 0.192 0.000 0.972 623 V HN 0.777 nan 8.190 nan 0.000 0.484 624 D N 2.108 122.490 120.400 -0.030 0.000 2.103 624 D HA -0.057 4.565 4.640 -0.030 0.000 0.199 624 D C 0.176 176.219 176.300 -0.429 0.000 0.978 624 D CA 1.580 55.433 54.000 -0.245 0.000 0.829 624 D CB 0.077 40.687 40.800 -0.316 0.000 0.981 624 D HN 0.635 nan 8.370 nan 0.000 0.464 625 Y N 0.512 120.825 120.300 0.022 0.000 2.931 625 Y HA 0.325 4.857 4.550 -0.030 0.000 0.330 625 Y C 0.210 176.088 175.900 -0.036 0.000 1.115 625 Y CA -0.654 57.432 58.100 -0.023 0.000 1.283 625 Y CB 0.571 39.007 38.460 -0.041 0.000 1.215 625 Y HN -0.216 nan 8.280 nan 0.000 0.534 626 S N 0.300 115.997 115.700 -0.006 0.000 2.618 626 S HA 0.998 5.450 4.470 -0.030 0.000 0.277 626 S C -0.368 174.151 174.600 -0.135 0.000 1.138 626 S CA -0.656 57.471 58.200 -0.120 0.000 0.844 626 S CB 2.357 65.487 63.200 -0.117 0.000 1.127 626 S HN 0.654 nan 8.310 nan 0.000 0.474 627 G N 0.132 108.816 108.800 -0.193 0.000 2.684 627 G HA2 0.739 4.681 3.960 -0.030 0.000 0.290 627 G HA3 0.739 4.681 3.960 -0.030 0.000 0.290 627 G C -1.857 172.963 174.900 -0.133 0.000 1.425 627 G CA -0.901 44.126 45.100 -0.122 0.000 0.822 627 G HN 0.801 nan 8.290 nan 0.000 0.482 628 R N -0.542 119.906 120.500 -0.087 0.000 2.643 628 R HA 0.733 5.055 4.340 -0.030 0.000 0.269 628 R C -1.671 174.596 176.300 -0.056 0.000 1.037 628 R CA -0.442 55.611 56.100 -0.078 0.000 0.894 628 R CB 1.990 32.249 30.300 -0.069 0.000 1.238 628 R HN 0.885 nan 8.270 nan 0.000 0.459 629 S N 1.510 117.178 115.700 -0.054 0.000 2.615 629 S HA 0.328 4.780 4.470 -0.030 0.000 0.268 629 S C -1.348 173.229 174.600 -0.039 0.000 1.146 629 S CA -0.552 57.623 58.200 -0.042 0.000 0.818 629 S CB 1.600 64.777 63.200 -0.039 0.000 1.111 629 S HN 0.300 nan 8.310 nan 0.000 0.465 630 V N 3.281 123.178 119.914 -0.028 0.000 2.843 630 V HA 0.326 4.428 4.120 -0.030 0.000 0.305 630 V C 0.542 176.636 176.094 -0.001 0.000 1.065 630 V CA 0.087 62.379 62.300 -0.013 0.000 1.116 630 V CB 0.516 32.335 31.823 -0.006 0.000 0.968 630 V HN 0.676 nan 8.190 nan 0.000 0.487 631 I N 2.655 123.249 120.570 0.040 0.000 2.577 631 I HA 0.848 5.001 4.170 -0.030 0.000 0.305 631 I C -0.799 175.447 176.117 0.216 0.000 0.986 631 I CA -0.469 60.892 61.300 0.102 0.000 1.189 631 I CB 1.970 40.039 38.000 0.115 0.000 1.355 631 I HN 0.298 nan 8.210 nan 0.000 0.476 632 V N 5.663 125.628 119.914 0.086 0.000 2.851 632 V HA 0.206 4.308 4.120 -0.030 0.000 0.307 632 V C -0.260 175.456 176.094 -0.630 0.000 1.129 632 V CA -0.849 61.301 62.300 -0.249 0.000 0.932 632 V CB 2.024 33.725 31.823 -0.203 0.000 1.024 632 V HN 0.700 nan 8.190 nan 0.000 0.426 633 V N 4.367 123.371 119.914 -1.517 0.000 2.557 633 V HA 0.433 4.535 4.120 -0.030 0.000 0.301 633 V C 0.954 176.736 176.094 -0.521 0.000 1.026 633 V CA 1.241 62.894 62.300 -1.079 0.000 1.137 633 V CB 1.014 32.194 31.823 -1.072 0.000 0.917 633 V HN 1.113 nan 8.190 nan 0.000 0.484 634 G N 7.343 115.935 108.800 -0.346 0.000 4.190 634 G HA2 0.435 4.377 3.960 -0.030 0.000 0.328 634 G HA3 0.435 4.377 3.960 -0.030 0.000 0.328 634 G C -1.539 173.180 174.900 -0.302 0.000 1.364 634 G CA -0.845 44.084 45.100 -0.286 0.000 1.259 634 G HN 0.714 nan 8.290 nan 0.000 0.525 635 P HA -0.244 nan 4.420 nan 0.000 0.219 635 P C 1.760 178.930 177.300 -0.215 0.000 1.158 635 P CA 1.284 64.191 63.100 -0.321 0.000 0.895 635 P CB 0.401 31.816 31.700 -0.474 0.000 0.792 636 Q N -1.678 117.987 119.800 -0.224 0.000 2.402 636 Q HA 0.103 4.425 4.340 -0.030 0.000 0.206 636 Q C 0.912 176.820 176.000 -0.154 0.000 0.919 636 Q CA -0.127 55.562 55.803 -0.189 0.000 0.923 636 Q CB -0.753 27.861 28.738 -0.208 0.000 1.048 636 Q HN 0.274 nan 8.270 nan 0.000 0.515 637 L N 2.305 123.421 121.223 -0.178 0.000 2.573 637 L HA -0.123 4.200 4.340 -0.030 0.000 0.290 637 L C 0.042 176.919 176.870 0.012 0.000 1.247 637 L CA 0.931 55.707 54.840 -0.107 0.000 0.876 637 L CB 0.441 42.411 42.059 -0.149 0.000 1.123 637 L HN -0.087 nan 8.230 nan 0.000 0.505 638 K N 5.234 125.729 120.400 0.158 0.000 2.098 638 K HA 0.252 4.554 4.320 -0.030 0.000 0.258 638 K C 1.158 178.017 176.600 0.430 0.000 0.973 638 K CA -0.794 55.678 56.287 0.308 0.000 0.898 638 K CB 1.200 33.801 32.500 0.169 0.000 1.057 638 K HN 0.593 nan 8.250 nan 0.000 0.447 639 L N 0.906 122.244 121.223 0.192 0.000 2.085 639 L HA -0.326 3.996 4.340 -0.030 0.000 0.218 639 L C 2.380 179.426 176.870 0.293 0.000 1.080 639 L CA 1.476 56.306 54.840 -0.016 0.000 0.776 639 L CB -0.817 41.161 42.059 -0.136 0.000 0.891 639 L HN 0.718 nan 8.230 nan 0.000 0.437 640 H N 0.424 119.556 119.070 0.102 0.000 2.426 640 H HA -0.082 4.456 4.556 -0.030 0.000 0.298 640 H C 0.786 176.224 175.328 0.184 0.000 1.107 640 H CA 1.113 57.210 56.048 0.082 0.000 1.298 640 H CB -0.015 29.750 29.762 0.005 0.000 1.377 640 H HN 0.520 nan 8.280 nan 0.000 0.519 641 Q N -1.266 118.699 119.800 0.276 0.000 2.445 641 Q HA 0.532 4.854 4.340 -0.030 0.000 0.281 641 Q C -0.765 175.283 176.000 0.079 0.000 1.101 641 Q CA -0.787 55.105 55.803 0.148 0.000 0.833 641 Q CB 2.724 31.466 28.738 0.007 0.000 1.416 641 Q HN 0.320 nan 8.270 nan 0.000 0.451 642 C N -2.087 117.207 119.300 -0.010 0.000 2.880 642 C HA 0.898 5.340 4.460 -0.030 0.000 0.320 642 C C 0.203 175.136 174.990 -0.095 0.000 1.176 642 C CA -0.797 58.128 59.018 -0.155 0.000 1.390 642 C CB 0.801 28.330 27.740 -0.352 0.000 1.846 642 C HN 0.961 nan 8.230 nan 0.000 0.478 643 G N 2.451 111.181 108.800 -0.116 0.000 2.356 643 G HA2 0.549 4.491 3.960 -0.030 0.000 0.300 643 G HA3 0.549 4.491 3.960 -0.030 0.000 0.300 643 G C -0.787 174.063 174.900 -0.083 0.000 1.107 643 G CA -0.181 44.859 45.100 -0.100 0.000 0.960 643 G HN 1.595 nan 8.290 nan 0.000 0.418 644 L N 2.992 124.179 121.223 -0.059 0.000 2.313 644 L HA 0.675 4.997 4.340 -0.030 0.000 0.283 644 L C -2.696 174.144 176.870 -0.049 0.000 1.013 644 L CA -2.689 52.132 54.840 -0.033 0.000 0.816 644 L CB 1.858 43.933 42.059 0.027 0.000 1.236 644 L HN 0.101 nan 8.230 nan 0.000 0.419 645 P HA -0.016 nan 4.420 nan 0.000 0.260 645 P C 0.004 177.254 177.300 -0.083 0.000 1.172 645 P CA 0.278 63.329 63.100 -0.082 0.000 0.760 645 P CB 0.437 32.100 31.700 -0.061 0.000 0.773 646 K N 4.450 124.744 120.400 -0.177 0.000 2.044 646 K HA -0.267 4.035 4.320 -0.030 0.000 0.210 646 K C 1.855 178.391 176.600 -0.106 0.000 1.049 646 K CA 1.264 57.411 56.287 -0.233 0.000 0.927 646 K CB -0.425 31.719 32.500 -0.594 0.000 0.713 646 K HN 0.059 nan 8.250 nan 0.000 0.443 647 R N 1.068 121.502 120.500 -0.110 0.000 2.117 647 R HA -0.068 4.254 4.340 -0.030 0.000 0.243 647 R C 2.301 178.655 176.300 0.089 0.000 1.143 647 R CA 1.945 58.073 56.100 0.047 0.000 0.968 647 R CB -0.409 29.905 30.300 0.024 0.000 0.863 647 R HN 0.510 nan 8.270 nan 0.000 0.444 648 M N -1.118 118.513 119.600 0.052 0.000 2.236 648 M HA -0.003 4.460 4.480 -0.030 0.000 0.266 648 M C 1.889 178.273 176.300 0.140 0.000 1.070 648 M CA 1.759 57.102 55.300 0.071 0.000 1.137 648 M CB -0.096 32.525 32.600 0.036 0.000 1.378 648 M HN 0.263 nan 8.290 nan 0.000 0.426 649 A N 0.745 123.671 122.820 0.176 0.000 1.933 649 A HA -0.183 4.119 4.320 -0.030 0.000 0.218 649 A C 1.970 179.793 177.584 0.398 0.000 1.175 649 A CA 1.412 53.653 52.037 0.340 0.000 0.628 649 A CB -0.922 18.198 19.000 0.201 0.000 0.814 649 A HN 0.570 nan 8.150 nan 0.000 0.444 650 L N -0.350 121.055 121.223 0.303 0.000 1.989 650 L HA -0.164 4.158 4.340 -0.030 0.000 0.211 650 L C 2.331 179.354 176.870 0.255 0.000 1.071 650 L CA 2.389 57.419 54.840 0.315 0.000 0.749 650 L CB -0.532 41.741 42.059 0.356 0.000 0.890 650 L HN 0.353 nan 8.230 nan 0.000 0.431 651 E N -0.471 119.846 120.200 0.195 0.000 2.017 651 E HA -0.181 4.151 4.350 -0.030 0.000 0.193 651 E C 2.199 178.894 176.600 0.158 0.000 0.997 651 E CA 1.353 57.839 56.400 0.143 0.000 0.804 651 E CB -0.488 29.265 29.700 0.088 0.000 0.757 651 E HN 0.283 nan 8.360 nan 0.000 0.448 652 L N 0.208 121.507 121.223 0.128 0.000 1.951 652 L HA -0.201 4.122 4.340 -0.030 0.000 0.222 652 L C 1.654 178.550 176.870 0.042 0.000 1.078 652 L CA 1.604 56.459 54.840 0.025 0.000 0.778 652 L CB -1.257 40.703 42.059 -0.165 0.000 0.893 652 L HN 0.093 nan 8.230 nan 0.000 0.436 653 F N 0.202 120.273 119.950 0.202 0.000 2.833 653 F HA 0.136 4.646 4.527 -0.030 0.000 0.327 653 F C 1.654 177.619 175.800 0.274 0.000 1.184 653 F CA -0.132 58.016 58.000 0.247 0.000 1.328 653 F CB -0.748 38.319 39.000 0.111 0.000 1.440 653 F HN 0.100 nan 8.300 nan 0.000 0.569 654 K N 1.447 122.072 120.400 0.375 0.000 2.005 654 K HA 0.003 4.305 4.320 -0.030 0.000 0.206 654 K C -0.841 175.896 176.600 0.228 0.000 1.044 654 K CA 0.943 57.389 56.287 0.265 0.000 0.942 654 K CB -0.868 31.745 32.500 0.188 0.000 0.727 654 K HN 0.105 nan 8.250 nan 0.000 0.439 655 P HA -0.162 nan 4.420 nan 0.000 0.216 655 P C 0.846 178.141 177.300 -0.008 0.000 1.157 655 P CA 1.540 64.657 63.100 0.030 0.000 0.880 655 P CB -0.091 31.567 31.700 -0.069 0.000 0.791 656 F N -1.644 118.370 119.950 0.106 0.000 2.202 656 F HA -0.143 4.366 4.527 -0.029 0.000 0.301 656 F C 2.171 178.027 175.800 0.093 0.000 1.082 656 F CA 0.834 58.896 58.000 0.103 0.000 1.313 656 F CB -1.146 37.951 39.000 0.162 0.000 1.024 656 F HN -0.102 nan 8.300 nan 0.000 0.495 657 L N -0.080 121.324 121.223 0.301 0.000 2.044 657 L HA -0.080 4.242 4.340 -0.030 0.000 0.205 657 L C 2.098 179.033 176.870 0.108 0.000 1.075 657 L CA 1.491 56.445 54.840 0.189 0.000 0.747 657 L CB -0.981 41.194 42.059 0.194 0.000 0.903 657 L HN 0.081 nan 8.230 nan 0.000 0.435 658 L N -0.170 121.106 121.223 0.087 0.000 1.976 658 L HA -0.324 3.998 4.340 -0.030 0.000 0.223 658 L C 2.756 179.643 176.870 0.028 0.000 1.081 658 L CA 1.939 56.804 54.840 0.041 0.000 0.784 658 L CB -0.930 41.145 42.059 0.027 0.000 0.896 658 L HN 0.303 nan 8.230 nan 0.000 0.438 659 K N 0.694 121.108 120.400 0.023 0.000 2.020 659 K HA -0.266 4.036 4.320 -0.030 0.000 0.212 659 K C 2.129 178.747 176.600 0.030 0.000 1.050 659 K CA 1.869 58.164 56.287 0.015 0.000 0.929 659 K CB -0.240 32.260 32.500 0.000 0.000 0.714 659 K HN 0.002 nan 8.250 nan 0.000 0.443 660 K N 0.700 121.134 120.400 0.055 0.000 2.152 660 K HA -0.040 4.263 4.320 -0.030 0.000 0.206 660 K C 2.110 178.727 176.600 0.028 0.000 1.048 660 K CA 1.418 57.736 56.287 0.050 0.000 0.933 660 K CB -0.161 32.382 32.500 0.072 0.000 0.721 660 K HN 0.224 nan 8.250 nan 0.000 0.447 661 M N 0.326 119.940 119.600 0.023 0.000 2.117 661 M HA -0.155 4.308 4.480 -0.030 0.000 0.262 661 M C 2.013 178.312 176.300 -0.000 0.000 1.065 661 M CA 1.680 56.983 55.300 0.004 0.000 1.114 661 M CB -0.754 31.843 32.600 -0.004 0.000 1.361 661 M HN 0.239 nan 8.290 nan 0.000 0.408 662 E N 1.514 121.716 120.200 0.003 0.000 2.204 662 E HA -0.179 4.153 4.350 -0.030 0.000 0.194 662 E C 1.469 178.069 176.600 0.001 0.000 0.989 662 E CA 1.059 57.459 56.400 -0.001 0.000 0.824 662 E CB -0.059 29.640 29.700 -0.001 0.000 0.756 662 E HN 0.554 nan 8.360 nan 0.000 0.477 663 E N 0.658 120.862 120.200 0.006 0.000 2.268 663 E HA -0.057 4.275 4.350 -0.030 0.000 0.195 663 E C 0.543 177.144 176.600 0.001 0.000 0.995 663 E CA 0.667 57.071 56.400 0.006 0.000 0.836 663 E CB 0.185 29.892 29.700 0.012 0.000 0.763 663 E HN 0.196 nan 8.360 nan 0.000 0.491 664 K N -0.800 119.600 120.400 -0.000 0.000 2.280 664 K HA 0.360 4.662 4.320 -0.030 0.000 0.234 664 K C 1.070 177.665 176.600 -0.009 0.000 1.028 664 K CA -0.197 56.087 56.287 -0.005 0.000 0.882 664 K CB 1.407 33.904 32.500 -0.005 0.000 1.194 664 K HN -0.059 nan 8.250 nan 0.000 0.458 665 G N 0.459 109.252 108.800 -0.011 0.000 2.598 665 G HA2 -0.126 3.816 3.960 -0.030 0.000 0.215 665 G HA3 -0.126 3.816 3.960 -0.030 0.000 0.215 665 G C 1.197 176.086 174.900 -0.019 0.000 1.131 665 G CA 0.465 45.556 45.100 -0.014 0.000 0.785 665 G HN 0.493 nan 8.290 nan 0.000 0.539 666 I N 0.895 121.451 120.570 -0.023 0.000 2.194 666 I HA -0.094 4.058 4.170 -0.030 0.000 0.246 666 I C 1.561 177.659 176.117 -0.032 0.000 1.093 666 I CA 1.184 62.464 61.300 -0.033 0.000 1.355 666 I CB -0.073 37.903 38.000 -0.041 0.000 1.046 666 I HN 0.242 nan 8.210 nan 0.000 0.413 667 A N -0.992 121.813 122.820 -0.024 0.000 2.455 667 A HA 0.530 4.832 4.320 -0.030 0.000 0.300 667 A C -2.163 175.412 177.584 -0.015 0.000 1.040 667 A CA -1.055 50.969 52.037 -0.022 0.000 0.697 667 A CB 0.998 19.985 19.000 -0.023 0.000 1.265 667 A HN -0.158 nan 8.150 nan 0.000 0.407 668 P HA -0.065 nan 4.420 nan 0.000 0.215 668 P C 0.066 177.360 177.300 -0.009 0.000 1.157 668 P CA 1.454 64.548 63.100 -0.011 0.000 0.863 668 P CB 0.192 31.885 31.700 -0.011 0.000 0.787 669 N N -3.914 114.781 118.700 -0.010 0.000 2.853 669 N HA 0.152 4.874 4.740 -0.030 0.000 0.258 669 N C 0.461 175.966 175.510 -0.008 0.000 1.444 669 N CA -0.626 52.419 53.050 -0.008 0.000 0.837 669 N CB 1.357 39.839 38.487 -0.008 0.000 1.489 669 N HN -0.387 nan 8.380 nan 0.000 0.529 670 V N 0.924 120.833 119.914 -0.007 0.000 2.214 670 V HA -0.276 3.827 4.120 -0.030 0.000 0.247 670 V C 2.601 178.692 176.094 -0.006 0.000 1.051 670 V CA 1.744 64.041 62.300 -0.006 0.000 1.003 670 V CB -0.727 31.092 31.823 -0.007 0.000 0.635 670 V HN 0.734 nan 8.190 nan 0.000 0.447 671 K N -0.041 120.355 120.400 -0.006 0.000 2.077 671 K HA -0.289 4.013 4.320 -0.030 0.000 0.213 671 K C 2.217 178.812 176.600 -0.009 0.000 1.051 671 K CA 2.112 58.395 56.287 -0.006 0.000 0.929 671 K CB -0.744 31.752 32.500 -0.007 0.000 0.715 671 K HN 0.508 nan 8.250 nan 0.000 0.451 672 A N 0.761 123.575 122.820 -0.010 0.000 1.845 672 A HA -0.131 4.171 4.320 -0.030 0.000 0.215 672 A C 2.398 179.972 177.584 -0.017 0.000 1.195 672 A CA 2.575 54.604 52.037 -0.014 0.000 0.616 672 A CB -0.960 18.032 19.000 -0.014 0.000 0.832 672 A HN 0.403 nan 8.150 nan 0.000 0.443 673 A N -0.103 122.708 122.820 -0.015 0.000 1.958 673 A HA -0.255 4.047 4.320 -0.030 0.000 0.221 673 A C 2.237 179.812 177.584 -0.015 0.000 1.178 673 A CA 1.907 53.933 52.037 -0.017 0.000 0.642 673 A CB -0.558 18.437 19.000 -0.008 0.000 0.816 673 A HN 0.626 nan 8.150 nan 0.000 0.453 674 R N -0.994 119.502 120.500 -0.007 0.000 2.070 674 R HA -0.083 4.239 4.340 -0.030 0.000 0.232 674 R C 2.462 178.756 176.300 -0.010 0.000 1.138 674 R CA 1.456 57.554 56.100 -0.003 0.000 0.936 674 R CB -0.431 29.870 30.300 0.000 0.000 0.839 674 R HN 0.450 nan 8.270 nan 0.000 0.429 675 R N 0.441 120.934 120.500 -0.013 0.000 2.139 675 R HA -0.108 4.214 4.340 -0.030 0.000 0.243 675 R C 2.369 178.655 176.300 -0.024 0.000 1.145 675 R CA 1.245 57.335 56.100 -0.016 0.000 0.976 675 R CB -0.297 29.994 30.300 -0.015 0.000 0.866 675 R HN 0.284 nan 8.270 nan 0.000 0.449 676 M N 0.656 120.238 119.600 -0.030 0.000 2.202 676 M HA -0.174 4.289 4.480 -0.030 0.000 0.262 676 M C 1.366 177.631 176.300 -0.057 0.000 1.063 676 M CA 1.737 57.010 55.300 -0.045 0.000 1.097 676 M CB 0.022 32.592 32.600 -0.051 0.000 1.382 676 M HN 0.139 nan 8.290 nan 0.000 0.413 677 L N -0.793 120.403 121.223 -0.045 0.000 2.640 677 L HA 0.035 4.357 4.340 -0.030 0.000 0.230 677 L C 1.999 178.857 176.870 -0.020 0.000 1.123 677 L CA -0.098 54.715 54.840 -0.045 0.000 0.900 677 L CB -0.449 41.592 42.059 -0.030 0.000 1.146 677 L HN 0.269 nan 8.230 nan 0.000 0.484 678 E N 1.626 121.817 120.200 -0.016 0.000 2.204 678 E HA -0.144 4.188 4.350 -0.030 0.000 0.195 678 E C 0.390 176.987 176.600 -0.004 0.000 0.990 678 E CA 0.667 57.063 56.400 -0.006 0.000 0.821 678 E CB 0.013 29.709 29.700 -0.007 0.000 0.750 678 E HN 0.512 nan 8.360 nan 0.000 0.477 679 R N 0.252 120.746 120.500 -0.011 0.000 2.803 679 R HA 0.286 4.608 4.340 -0.030 0.000 0.276 679 R C 0.925 177.221 176.300 -0.006 0.000 0.978 679 R CA -0.614 55.483 56.100 -0.005 0.000 0.939 679 R CB 1.212 31.507 30.300 -0.008 0.000 1.179 679 R HN -0.049 nan 8.270 nan 0.000 0.472 680 Q N 1.507 121.313 119.800 0.010 0.000 2.016 680 Q HA -0.181 4.141 4.340 -0.030 0.000 0.200 680 Q C 1.750 177.755 176.000 0.008 0.000 0.978 680 Q CA 1.910 57.727 55.803 0.023 0.000 0.833 680 Q CB -0.038 28.729 28.738 0.049 0.000 0.895 680 Q HN 0.495 nan 8.270 nan 0.000 0.427 681 R N 0.742 121.246 120.500 0.007 0.000 2.261 681 R HA -0.145 4.177 4.340 -0.030 0.000 0.236 681 R C 0.512 176.799 176.300 -0.021 0.000 1.141 681 R CA 1.816 57.916 56.100 0.001 0.000 1.001 681 R CB -0.295 30.006 30.300 0.001 0.000 0.866 681 R HN 0.174 nan 8.270 nan 0.000 0.468 682 D N 0.669 121.047 120.400 -0.036 0.000 2.328 682 D HA 0.151 4.773 4.640 -0.030 0.000 0.226 682 D C -0.250 175.992 176.300 -0.096 0.000 1.066 682 D CA 0.276 54.243 54.000 -0.055 0.000 0.861 682 D CB 0.216 40.986 40.800 -0.049 0.000 0.912 682 D HN 0.331 nan 8.370 nan 0.000 0.521 683 I N 0.857 121.346 120.570 -0.135 0.000 2.307 683 I HA 0.205 4.357 4.170 -0.030 0.000 0.289 683 I C 0.096 176.060 176.117 -0.255 0.000 1.021 683 I CA -0.971 60.182 61.300 -0.245 0.000 1.224 683 I CB 1.004 38.750 38.000 -0.425 0.000 1.376 683 I HN -0.304 nan 8.210 nan 0.000 0.470 684 K N 4.753 125.031 120.400 -0.203 0.000 2.484 684 K HA -0.009 4.294 4.320 -0.030 0.000 0.280 684 K C 0.290 176.751 176.600 -0.232 0.000 1.013 684 K CA -0.188 56.005 56.287 -0.157 0.000 1.029 684 K CB 0.700 33.132 32.500 -0.113 0.000 0.902 684 K HN 0.496 nan 8.250 nan 0.000 0.481 685 D N 2.906 123.222 120.400 -0.139 0.000 2.389 685 D HA -0.121 4.501 4.640 -0.030 0.000 0.221 685 D C 0.814 177.073 176.300 -0.068 0.000 0.974 685 D CA 1.059 55.001 54.000 -0.098 0.000 0.923 685 D CB 0.120 40.979 40.800 0.098 0.000 0.892 685 D HN 0.541 nan 8.370 nan 0.000 0.518 686 E N -0.249 119.899 120.200 -0.088 0.000 2.268 686 E HA -0.073 4.259 4.350 -0.030 0.000 0.195 686 E C 2.095 178.653 176.600 -0.069 0.000 0.995 686 E CA 0.182 56.554 56.400 -0.047 0.000 0.836 686 E CB 0.179 29.852 29.700 -0.046 0.000 0.763 686 E HN 0.124 nan 8.360 nan 0.000 0.491 687 V N -0.181 119.617 119.914 -0.193 0.000 2.358 687 V HA -0.221 3.882 4.120 -0.030 0.000 0.246 687 V C 1.725 177.773 176.094 -0.077 0.000 1.047 687 V CA 1.611 63.784 62.300 -0.213 0.000 1.035 687 V CB -0.671 30.907 31.823 -0.409 0.000 0.658 687 V HN 0.440 nan 8.190 nan 0.000 0.452 688 W N 0.342 121.642 121.300 -0.000 0.000 2.342 688 W HA -0.168 4.474 4.660 -0.029 0.000 0.297 688 W C 2.329 178.839 176.519 -0.014 0.000 1.213 688 W CA 0.669 58.010 57.345 -0.007 0.000 1.251 688 W CB -0.343 29.111 29.460 -0.010 0.000 1.136 688 W HN 0.260 nan 8.180 nan 0.000 0.526 689 D N 0.130 120.658 120.400 0.213 0.000 2.178 689 D HA -0.121 4.501 4.640 -0.030 0.000 0.202 689 D C 2.170 178.515 176.300 0.075 0.000 0.974 689 D CA 1.560 55.628 54.000 0.114 0.000 0.841 689 D CB -0.564 40.277 40.800 0.068 0.000 0.953 689 D HN 0.151 nan 8.370 nan 0.000 0.478 690 A N 0.991 123.850 122.820 0.066 0.000 1.873 690 A HA -0.123 4.179 4.320 -0.030 0.000 0.215 690 A C 2.184 179.806 177.584 0.064 0.000 1.186 690 A CA 0.833 52.898 52.037 0.047 0.000 0.616 690 A CB -0.731 18.286 19.000 0.029 0.000 0.823 690 A HN 0.214 nan 8.150 nan 0.000 0.442 691 L N -0.127 121.161 121.223 0.108 0.000 2.012 691 L HA -0.170 4.152 4.340 -0.030 0.000 0.210 691 L C 2.274 179.154 176.870 0.017 0.000 1.073 691 L CA 2.325 57.224 54.840 0.100 0.000 0.748 691 L CB -0.593 41.599 42.059 0.220 0.000 0.891 691 L HN 0.393 nan 8.230 nan 0.000 0.431 692 E N -0.227 120.002 120.200 0.049 0.000 2.097 692 E HA -0.312 4.021 4.350 -0.030 0.000 0.196 692 E C 2.096 178.692 176.600 -0.006 0.000 1.000 692 E CA 1.698 58.100 56.400 0.003 0.000 0.804 692 E CB -0.053 29.665 29.700 0.031 0.000 0.740 692 E HN 0.708 nan 8.360 nan 0.000 0.454 693 E N 0.185 120.390 120.200 0.009 0.000 2.158 693 E HA -0.094 4.239 4.350 -0.030 0.000 0.191 693 E C 2.155 178.757 176.600 0.004 0.000 0.982 693 E CA 0.471 56.873 56.400 0.004 0.000 0.823 693 E CB 0.283 29.980 29.700 -0.005 0.000 0.766 693 E HN -0.008 nan 8.360 nan 0.000 0.468 694 V N 1.102 121.006 119.914 -0.016 0.000 2.261 694 V HA -0.254 3.848 4.120 -0.030 0.000 0.246 694 V C 2.312 178.324 176.094 -0.136 0.000 1.047 694 V CA 1.403 63.682 62.300 -0.035 0.000 1.015 694 V CB -0.347 31.471 31.823 -0.008 0.000 0.642 694 V HN 0.310 nan 8.190 nan 0.000 0.446 695 I N -0.475 119.937 120.570 -0.263 0.000 2.335 695 I HA -0.169 3.983 4.170 -0.030 0.000 0.251 695 I C 1.408 177.404 176.117 -0.201 0.000 1.129 695 I CA 0.727 61.786 61.300 -0.401 0.000 1.402 695 I CB -1.005 36.716 38.000 -0.465 0.000 1.069 695 I HN 0.427 nan 8.210 nan 0.000 0.424 696 H N 0.613 119.583 119.070 -0.167 0.000 3.232 696 H HA 0.182 4.721 4.556 -0.030 0.000 0.276 696 H C 1.493 176.758 175.328 -0.105 0.000 0.882 696 H CA 0.847 56.825 56.048 -0.116 0.000 1.415 696 H CB -0.155 29.560 29.762 -0.079 0.000 1.405 696 H HN 0.410 nan 8.280 nan 0.000 0.543 697 G N 3.651 112.169 108.800 -0.471 0.000 2.458 697 G HA2 -0.340 3.602 3.960 -0.030 0.000 0.237 697 G HA3 -0.340 3.602 3.960 -0.030 0.000 0.237 697 G C 0.496 175.301 174.900 -0.159 0.000 1.113 697 G CA 0.383 45.307 45.100 -0.293 0.000 0.655 697 G HN 0.702 nan 8.290 nan 0.000 0.513 698 K N 0.738 121.057 120.400 -0.136 0.000 2.336 698 K HA 0.480 4.782 4.320 -0.030 0.000 0.262 698 K C 0.592 177.153 176.600 -0.065 0.000 0.992 698 K CA 0.436 56.666 56.287 -0.094 0.000 0.927 698 K CB 1.469 33.898 32.500 -0.119 0.000 0.956 698 K HN 0.848 nan 8.250 nan 0.000 0.495 699 V N -1.556 118.360 119.914 0.002 0.000 3.074 699 V HA 0.716 4.818 4.120 -0.030 0.000 0.314 699 V C -0.397 175.766 176.094 0.114 0.000 1.117 699 V CA -1.077 61.251 62.300 0.047 0.000 1.014 699 V CB 1.605 33.445 31.823 0.028 0.000 1.057 699 V HN 0.569 nan 8.190 nan 0.000 0.438 700 V N 0.193 120.202 119.914 0.157 0.000 3.046 700 V HA 0.832 4.934 4.120 -0.030 0.000 0.316 700 V C -0.712 175.482 176.094 0.167 0.000 1.104 700 V CA -0.948 61.457 62.300 0.175 0.000 1.006 700 V CB 1.656 33.612 31.823 0.222 0.000 1.058 700 V HN 0.839 nan 8.190 nan 0.000 0.440 701 L N 2.647 123.966 121.223 0.160 0.000 2.322 701 L HA 0.684 5.006 4.340 -0.030 0.000 0.279 701 L C -0.521 176.481 176.870 0.221 0.000 1.036 701 L CA -0.237 54.708 54.840 0.175 0.000 0.807 701 L CB 1.427 43.581 42.059 0.159 0.000 1.226 701 L HN 0.538 nan 8.230 nan 0.000 0.433 702 L N 3.256 124.643 121.223 0.273 0.000 2.346 702 L HA 0.543 4.866 4.340 -0.030 0.000 0.274 702 L C -0.215 176.713 176.870 0.097 0.000 1.007 702 L CA -0.083 54.855 54.840 0.163 0.000 0.818 702 L CB 1.682 43.839 42.059 0.164 0.000 1.284 702 L HN 0.616 nan 8.230 nan 0.000 0.424 703 N N 1.259 119.954 118.700 -0.007 0.000 2.265 703 N HA 0.598 5.320 4.740 -0.030 0.000 0.300 703 N C -1.127 174.310 175.510 -0.121 0.000 1.148 703 N CA -0.697 52.363 53.050 0.017 0.000 0.772 703 N CB 2.347 40.909 38.487 0.125 0.000 1.434 703 N HN 0.539 nan 8.380 nan 0.000 0.481 704 R N 1.471 121.939 120.500 -0.053 0.000 2.782 704 R HA 0.669 4.992 4.340 -0.030 0.000 0.258 704 R C 0.655 176.948 176.300 -0.013 0.000 1.055 704 R CA 0.193 56.252 56.100 -0.068 0.000 1.065 704 R CB 0.595 30.920 30.300 0.041 0.000 1.172 704 R HN 0.614 nan 8.270 nan 0.000 0.510 705 A N 1.647 124.454 122.820 -0.022 0.000 1.836 705 A HA 0.054 4.356 4.320 -0.030 0.000 0.215 705 A C -1.255 176.331 177.584 0.004 0.000 1.214 705 A CA 1.317 53.348 52.037 -0.011 0.000 0.636 705 A CB -1.767 17.224 19.000 -0.016 0.000 0.847 705 A HN 0.678 nan 8.150 nan 0.000 0.451 706 P HA 0.347 nan 4.420 nan 0.000 0.297 706 P C -1.105 176.198 177.300 0.005 0.000 1.331 706 P CA -0.011 63.095 63.100 0.009 0.000 0.803 706 P CB 1.387 33.095 31.700 0.014 0.000 0.929 707 T N 4.602 119.159 114.554 0.005 0.000 3.455 707 T HA 0.143 4.475 4.350 -0.030 0.000 0.286 707 T C 1.458 176.139 174.700 -0.031 0.000 1.157 707 T CA 0.031 62.128 62.100 -0.005 0.000 1.090 707 T CB -0.435 68.440 68.868 0.013 0.000 1.112 707 T HN 0.243 nan 8.240 nan 0.000 0.779 708 L N 1.944 123.116 121.223 -0.086 0.000 2.068 708 L HA 0.104 4.427 4.340 -0.030 0.000 0.204 708 L C 1.493 178.375 176.870 0.019 0.000 1.076 708 L CA 1.015 55.839 54.840 -0.027 0.000 0.753 708 L CB -0.251 41.824 42.059 0.026 0.000 0.910 708 L HN 0.683 nan 8.230 nan 0.000 0.439 709 H N -1.743 117.335 119.070 0.012 0.000 2.869 709 H HA 0.264 4.802 4.556 -0.030 0.000 0.342 709 H C 0.793 176.114 175.328 -0.011 0.000 1.250 709 H CA -0.844 55.197 56.048 -0.011 0.000 1.217 709 H CB 0.751 30.494 29.762 -0.032 0.000 1.917 709 H HN -0.071 nan 8.280 nan 0.000 0.586 710 R N 0.059 120.633 120.500 0.122 0.000 2.117 710 R HA -0.071 4.251 4.340 -0.030 0.000 0.243 710 R C 1.272 177.583 176.300 0.017 0.000 1.143 710 R CA 1.710 57.839 56.100 0.047 0.000 0.968 710 R CB -0.514 29.806 30.300 0.033 0.000 0.863 710 R HN 0.454 nan 8.270 nan 0.000 0.444 711 L N 1.354 122.598 121.223 0.034 0.000 2.633 711 L HA 0.049 4.371 4.340 -0.030 0.000 0.235 711 L C 2.123 178.852 176.870 -0.234 0.000 1.163 711 L CA 0.986 55.774 54.840 -0.087 0.000 0.859 711 L CB -0.731 41.299 42.059 -0.047 0.000 0.973 711 L HN 0.574 nan 8.230 nan 0.000 0.451 712 G N 0.490 109.215 108.800 -0.126 0.000 2.559 712 G HA2 -0.001 3.941 3.960 -0.030 0.000 0.216 712 G HA3 -0.001 3.941 3.960 -0.030 0.000 0.216 712 G C 0.746 175.880 174.900 0.390 0.000 1.126 712 G CA 0.198 45.325 45.100 0.045 0.000 0.778 712 G HN 0.312 nan 8.290 nan 0.000 0.543 713 I N -0.447 120.286 120.570 0.273 0.000 2.533 713 I HA 0.378 4.530 4.170 -0.030 0.000 0.290 713 I C -0.782 175.473 176.117 0.230 0.000 1.056 713 I CA -0.591 60.908 61.300 0.333 0.000 1.057 713 I CB 2.309 40.401 38.000 0.153 0.000 1.240 713 I HN -0.022 nan 8.210 nan 0.000 0.423 714 Q N 3.547 123.529 119.800 0.304 0.000 2.495 714 Q HA 0.817 5.139 4.340 -0.030 0.000 0.287 714 Q C -1.211 174.560 176.000 -0.381 0.000 1.078 714 Q CA -1.026 54.738 55.803 -0.065 0.000 0.793 714 Q CB 3.145 31.883 28.738 -0.001 0.000 1.459 714 Q HN 0.737 nan 8.270 nan 0.000 0.422 715 A N 1.258 123.684 122.820 -0.656 0.000 2.337 715 A HA 0.880 5.182 4.320 -0.030 0.000 0.329 715 A C -1.341 175.735 177.584 -0.848 0.000 1.146 715 A CA -0.257 51.469 52.037 -0.518 0.000 0.800 715 A CB 0.441 19.317 19.000 -0.206 0.000 1.220 715 A HN 0.539 nan 8.150 nan 0.000 0.472 716 F N -0.649 119.357 119.950 0.092 0.000 2.650 716 F HA 0.480 4.989 4.527 -0.030 0.000 0.320 716 F C 0.248 176.061 175.800 0.022 0.000 1.091 716 F CA -0.610 57.438 58.000 0.079 0.000 0.962 716 F CB 1.911 40.963 39.000 0.087 0.000 1.363 716 F HN 0.520 nan 8.300 nan 0.000 0.482 717 Q N 1.974 121.871 119.800 0.162 0.000 2.322 717 Q HA 0.352 4.675 4.340 -0.030 0.000 0.256 717 Q C -2.535 173.463 176.000 -0.002 0.000 0.960 717 Q CA -1.927 53.863 55.803 -0.021 0.000 0.934 717 Q CB 1.439 30.042 28.738 -0.225 0.000 1.200 717 Q HN 0.071 nan 8.270 nan 0.000 0.435 718 P HA 0.000 nan 4.420 nan 0.000 0.271 718 P C -1.127 176.123 177.300 -0.084 0.000 1.226 718 P CA 0.022 63.106 63.100 -0.026 0.000 0.765 718 P CB 0.736 32.427 31.700 -0.015 0.000 0.835 719 V N 6.255 126.124 119.914 -0.076 0.000 2.277 719 V HA 0.148 4.250 4.120 -0.030 0.000 0.269 719 V C 0.453 176.488 176.094 -0.099 0.000 1.036 719 V CA -0.597 61.647 62.300 -0.093 0.000 0.821 719 V CB 0.231 32.000 31.823 -0.089 0.000 1.052 719 V HN 0.445 nan 8.190 nan 0.000 0.462 720 L N 5.721 126.878 121.223 -0.110 0.000 2.615 720 L HA 0.145 4.468 4.340 -0.030 0.000 0.284 720 L C 0.239 177.020 176.870 -0.147 0.000 1.237 720 L CA 0.845 55.608 54.840 -0.128 0.000 0.905 720 L CB 0.405 42.377 42.059 -0.145 0.000 1.149 720 L HN 0.633 nan 8.230 nan 0.000 0.499 721 V N 0.023 119.843 119.914 -0.155 0.000 3.130 721 V HA 0.600 4.703 4.120 -0.030 0.000 0.310 721 V C -0.370 175.612 176.094 -0.187 0.000 1.158 721 V CA -1.117 61.086 62.300 -0.162 0.000 1.029 721 V CB 2.057 33.799 31.823 -0.134 0.000 1.057 721 V HN 0.557 nan 8.190 nan 0.000 0.436 722 E N 1.473 121.566 120.200 -0.178 0.000 2.398 722 E HA 0.558 4.891 4.350 -0.030 0.000 0.263 722 E C 0.702 177.221 176.600 -0.135 0.000 1.046 722 E CA 1.413 57.709 56.400 -0.174 0.000 0.908 722 E CB 0.672 30.285 29.700 -0.144 0.000 0.963 722 E HN 1.707 nan 8.360 nan 0.000 0.431 723 G N 2.107 110.834 108.800 -0.121 0.000 2.632 723 G HA2 -0.327 3.615 3.960 -0.030 0.000 0.224 723 G HA3 -0.327 3.615 3.960 -0.030 0.000 0.224 723 G C 0.637 175.493 174.900 -0.074 0.000 1.341 723 G CA 0.358 45.406 45.100 -0.086 0.000 0.880 723 G HN 0.539 nan 8.290 nan 0.000 0.566 724 Q N -0.250 119.514 119.800 -0.060 0.000 2.061 724 Q HA 0.195 4.518 4.340 -0.030 0.000 0.195 724 Q C 2.107 178.076 176.000 -0.050 0.000 0.967 724 Q CA 1.371 57.145 55.803 -0.047 0.000 0.829 724 Q CB -0.165 28.550 28.738 -0.039 0.000 0.900 724 Q HN 0.992 nan 8.270 nan 0.000 0.450 725 S N 0.180 115.845 115.700 -0.058 0.000 2.600 725 S HA 0.315 4.768 4.470 -0.030 0.000 0.265 725 S C 0.153 174.713 174.600 -0.066 0.000 1.325 725 S CA -0.591 57.575 58.200 -0.057 0.000 1.002 725 S CB 0.659 63.821 63.200 -0.063 0.000 0.921 725 S HN 0.290 nan 8.310 nan 0.000 0.554 726 I N 1.169 121.704 120.570 -0.058 0.000 2.336 726 I HA 0.246 4.399 4.170 -0.030 0.000 0.292 726 I C 0.071 176.140 176.117 -0.080 0.000 0.991 726 I CA -0.535 60.724 61.300 -0.067 0.000 1.227 726 I CB 0.964 38.926 38.000 -0.062 0.000 1.366 726 I HN 0.562 nan 8.210 nan 0.000 0.466 727 Q N 5.646 125.381 119.800 -0.108 0.000 2.349 727 Q HA 0.433 4.755 4.340 -0.030 0.000 0.254 727 Q C -0.941 174.977 176.000 -0.137 0.000 0.980 727 Q CA -0.748 54.972 55.803 -0.137 0.000 0.924 727 Q CB 2.028 30.672 28.738 -0.155 0.000 1.209 727 Q HN 0.417 nan 8.270 nan 0.000 0.445 728 L N 2.301 123.475 121.223 -0.082 0.000 2.334 728 L HA 0.320 4.642 4.340 -0.030 0.000 0.275 728 L C -0.286 176.596 176.870 0.020 0.000 1.036 728 L CA -0.575 54.233 54.840 -0.052 0.000 0.807 728 L CB 1.054 43.170 42.059 0.095 0.000 1.231 728 L HN 0.588 nan 8.230 nan 0.000 0.438 729 H N 5.408 124.440 119.070 -0.065 0.000 2.707 729 H HA 0.221 4.759 4.556 -0.030 0.000 0.359 729 H C -2.009 173.421 175.328 0.170 0.000 1.113 729 H CA -1.499 54.575 56.048 0.043 0.000 1.422 729 H CB 1.550 31.343 29.762 0.050 0.000 1.443 729 H HN 0.492 nan 8.280 nan 0.000 0.591 730 P HA -0.112 nan 4.420 nan 0.000 0.216 730 P C 1.864 179.448 177.300 0.473 0.000 1.153 730 P CA 0.823 64.207 63.100 0.474 0.000 0.844 730 P CB 0.542 32.515 31.700 0.455 0.000 0.787 731 L N 0.269 121.818 121.223 0.544 0.000 2.042 731 L HA -0.129 4.193 4.340 -0.030 0.000 0.210 731 L C 2.611 179.578 176.870 0.162 0.000 1.076 731 L CA 1.765 56.731 54.840 0.211 0.000 0.749 731 L CB -1.392 40.671 42.059 0.008 0.000 0.893 731 L HN -0.094 nan 8.230 nan 0.000 0.432 732 V N -4.431 115.594 119.914 0.186 0.000 3.241 732 V HA -0.156 3.947 4.120 -0.030 0.000 0.269 732 V C 2.104 178.339 176.094 0.235 0.000 1.151 732 V CA 0.959 63.370 62.300 0.186 0.000 1.158 732 V CB -1.468 30.560 31.823 0.341 0.000 0.764 732 V HN 0.485 nan 8.190 nan 0.000 0.508 733 C N 0.159 119.615 119.300 0.260 0.000 2.466 733 C HA 0.041 4.483 4.460 -0.030 0.000 0.283 733 C C 2.477 177.551 174.990 0.141 0.000 1.472 733 C CA 0.945 60.092 59.018 0.214 0.000 1.765 733 C CB -1.186 26.650 27.740 0.160 0.000 1.724 733 C HN 0.708 nan 8.230 nan 0.000 0.560 734 E N 1.645 121.915 120.200 0.117 0.000 2.086 734 E HA 0.064 4.396 4.350 -0.030 0.000 0.190 734 E C 2.175 178.815 176.600 0.067 0.000 0.975 734 E CA 1.267 57.717 56.400 0.084 0.000 0.813 734 E CB -0.311 29.434 29.700 0.075 0.000 0.768 734 E HN 0.477 nan 8.360 nan 0.000 0.457 735 A N 0.366 123.187 122.820 0.002 0.000 1.824 735 A HA -0.047 4.255 4.320 -0.030 0.000 0.215 735 A C 0.530 178.049 177.584 -0.108 0.000 1.209 735 A CA 1.045 53.032 52.037 -0.084 0.000 0.614 735 A CB -1.064 17.732 19.000 -0.340 0.000 0.852 735 A HN 0.241 nan 8.150 nan 0.000 0.447 736 F N 0.514 120.493 119.950 0.048 0.000 2.495 736 F HA 0.230 4.739 4.527 -0.030 0.000 0.365 736 F C 0.709 176.499 175.800 -0.017 0.000 1.090 736 F CA -0.582 57.407 58.000 -0.018 0.000 1.235 736 F CB -0.135 38.861 39.000 -0.007 0.000 1.119 736 F HN 0.170 nan 8.300 nan 0.000 0.562 737 N N 2.997 121.782 118.700 0.141 0.000 2.498 737 N HA 0.358 5.080 4.740 -0.030 0.000 0.277 737 N C -1.084 174.443 175.510 0.029 0.000 1.208 737 N CA 0.020 53.116 53.050 0.076 0.000 1.029 737 N CB -0.055 38.464 38.487 0.054 0.000 1.403 737 N HN 0.705 nan 8.380 nan 0.000 0.500 738 A N 2.863 125.677 122.820 -0.011 0.000 2.359 738 A HA 0.424 4.726 4.320 -0.030 0.000 0.303 738 A C -0.673 176.703 177.584 -0.345 0.000 1.066 738 A CA -0.940 51.000 52.037 -0.162 0.000 0.730 738 A CB 0.868 19.759 19.000 -0.182 0.000 1.211 738 A HN 0.651 nan 8.150 nan 0.000 0.439 739 D N 0.615 120.800 120.400 -0.357 0.000 2.384 739 D HA 0.467 5.089 4.640 -0.030 0.000 0.250 739 D C -0.730 175.245 176.300 -0.542 0.000 1.029 739 D CA -0.567 53.200 54.000 -0.388 0.000 0.990 739 D CB 1.087 41.807 40.800 -0.133 0.000 1.175 739 D HN 0.287 nan 8.370 nan 0.000 0.532 740 F N -0.430 119.519 119.950 -0.001 0.000 2.730 740 F HA 0.132 4.641 4.527 -0.030 0.000 0.295 740 F C 1.374 177.160 175.800 -0.023 0.000 1.143 740 F CA -0.512 57.476 58.000 -0.019 0.000 1.367 740 F CB 0.048 39.030 39.000 -0.029 0.000 0.970 740 F HN 0.366 nan 8.300 nan 0.000 0.514 741 D N -0.849 119.596 120.400 0.075 0.000 2.363 741 D HA 0.127 4.749 4.640 -0.030 0.000 0.226 741 D C 1.748 178.066 176.300 0.030 0.000 1.020 741 D CA 1.037 55.066 54.000 0.049 0.000 0.892 741 D CB 0.197 41.009 40.800 0.019 0.000 0.900 741 D HN 0.295 nan 8.370 nan 0.000 0.531 742 G N -0.776 108.039 108.800 0.025 0.000 3.732 742 G HA2 -0.134 3.808 3.960 -0.030 0.000 0.220 742 G HA3 -0.134 3.808 3.960 -0.030 0.000 0.220 742 G C -0.468 174.425 174.900 -0.011 0.000 0.903 742 G CA -0.444 44.662 45.100 0.010 0.000 0.896 742 G HN 0.215 nan 8.290 nan 0.000 0.685 743 D N 1.290 121.669 120.400 -0.034 0.000 2.472 743 D HA 0.191 4.813 4.640 -0.030 0.000 0.237 743 D C 0.099 176.369 176.300 -0.049 0.000 1.141 743 D CA 0.849 54.814 54.000 -0.058 0.000 0.875 743 D CB 0.811 41.547 40.800 -0.107 0.000 1.192 743 D HN 0.263 nan 8.370 nan 0.000 0.450 744 Q N 1.819 121.587 119.800 -0.054 0.000 2.312 744 Q HA 0.443 4.765 4.340 -0.030 0.000 0.263 744 Q C -0.430 175.519 176.000 -0.084 0.000 0.995 744 Q CA -0.514 55.256 55.803 -0.056 0.000 0.853 744 Q CB 2.511 31.223 28.738 -0.044 0.000 1.300 744 Q HN 0.332 nan 8.270 nan 0.000 0.448 745 M N 1.320 120.858 119.600 -0.103 0.000 2.404 745 M HA 0.551 5.013 4.480 -0.030 0.000 0.338 745 M C -0.525 175.706 176.300 -0.116 0.000 1.150 745 M CA -0.385 54.828 55.300 -0.144 0.000 1.016 745 M CB 1.853 34.320 32.600 -0.221 0.000 1.672 745 M HN 0.746 nan 8.290 nan 0.000 0.448 746 A N 2.323 125.076 122.820 -0.111 0.000 2.242 746 A HA 0.823 5.125 4.320 -0.030 0.000 0.304 746 A C -1.122 176.370 177.584 -0.154 0.000 1.100 746 A CA -0.636 51.320 52.037 -0.134 0.000 0.860 746 A CB 1.256 20.184 19.000 -0.120 0.000 1.168 746 A HN 0.682 nan 8.150 nan 0.000 0.503 747 V N 1.035 120.787 119.914 -0.271 0.000 2.817 747 V HA 0.520 4.622 4.120 -0.030 0.000 0.303 747 V C -1.459 174.411 176.094 -0.372 0.000 1.151 747 V CA -0.628 61.556 62.300 -0.194 0.000 0.929 747 V CB 1.723 33.505 31.823 -0.068 0.000 1.030 747 V HN 1.018 nan 8.190 nan 0.000 0.427 748 H N 4.119 123.202 119.070 0.023 0.000 2.710 748 H HA 0.704 5.242 4.556 -0.030 0.000 0.361 748 H C -1.023 174.297 175.328 -0.014 0.000 1.175 748 H CA -0.547 55.509 56.048 0.012 0.000 1.206 748 H CB 2.350 32.126 29.762 0.024 0.000 1.750 748 H HN 0.535 nan 8.280 nan 0.000 0.553 749 V N 3.193 123.159 119.914 0.087 0.000 2.350 749 V HA 0.209 4.311 4.120 -0.030 0.000 0.285 749 V C -2.152 173.931 176.094 -0.018 0.000 1.014 749 V CA -1.683 60.577 62.300 -0.067 0.000 0.831 749 V CB 1.201 32.832 31.823 -0.320 0.000 1.000 749 V HN 0.582 nan 8.190 nan 0.000 0.433 750 P HA 0.321 nan 4.420 nan 0.000 0.276 750 P C 0.296 177.590 177.300 -0.010 0.000 1.243 750 P CA -0.157 62.952 63.100 0.015 0.000 0.768 750 P CB 2.032 33.748 31.700 0.026 0.000 0.856 751 L N 2.242 123.477 121.223 0.021 0.000 2.117 751 L HA -0.002 4.320 4.340 -0.030 0.000 0.200 751 L C 1.503 178.451 176.870 0.129 0.000 1.110 751 L CA 0.560 55.447 54.840 0.078 0.000 0.774 751 L CB -1.140 40.951 42.059 0.052 0.000 0.934 751 L HN 0.405 nan 8.230 nan 0.000 0.456 752 S N -0.623 115.144 115.700 0.112 0.000 2.549 752 S HA -0.156 4.296 4.470 -0.030 0.000 0.278 752 S C 1.230 175.907 174.600 0.128 0.000 1.344 752 S CA 0.260 58.536 58.200 0.127 0.000 1.025 752 S CB 0.780 64.058 63.200 0.130 0.000 0.851 752 S HN 0.268 nan 8.310 nan 0.000 0.530 753 S N 0.685 116.461 115.700 0.128 0.000 2.423 753 S HA -0.078 4.374 4.470 -0.030 0.000 0.231 753 S C 1.221 175.858 174.600 0.060 0.000 1.014 753 S CA 0.785 59.035 58.200 0.084 0.000 0.965 753 S CB -0.741 62.503 63.200 0.073 0.000 0.785 753 S HN 0.652 nan 8.310 nan 0.000 0.495 754 F N 2.032 121.985 119.950 0.005 0.000 2.060 754 F HA 0.064 4.574 4.527 -0.029 0.000 0.295 754 F C 2.511 178.305 175.800 -0.010 0.000 1.120 754 F CA 1.303 59.298 58.000 -0.008 0.000 1.205 754 F CB -0.869 38.122 39.000 -0.016 0.000 0.986 754 F HN 0.256 nan 8.300 nan 0.000 0.470 755 A N -0.487 122.481 122.820 0.248 0.000 1.958 755 A HA -0.343 3.959 4.320 -0.030 0.000 0.221 755 A C 2.014 179.627 177.584 0.049 0.000 1.178 755 A CA 2.161 54.281 52.037 0.138 0.000 0.642 755 A CB -1.030 18.031 19.000 0.103 0.000 0.816 755 A HN 0.528 nan 8.150 nan 0.000 0.453 756 Q N -0.365 119.450 119.800 0.026 0.000 2.084 756 Q HA -0.006 4.316 4.340 -0.030 0.000 0.202 756 Q C 2.100 178.072 176.000 -0.047 0.000 0.978 756 Q CA 2.115 57.913 55.803 -0.008 0.000 0.844 756 Q CB -0.629 28.104 28.738 -0.009 0.000 0.898 756 Q HN 0.574 nan 8.270 nan 0.000 0.426 757 A N 1.110 123.866 122.820 -0.107 0.000 1.851 757 A HA -0.279 4.023 4.320 -0.030 0.000 0.216 757 A C 1.986 179.478 177.584 -0.154 0.000 1.195 757 A CA 2.027 53.957 52.037 -0.179 0.000 0.622 757 A CB -1.026 17.756 19.000 -0.362 0.000 0.831 757 A HN 0.700 nan 8.150 nan 0.000 0.444 758 E N 0.025 120.134 120.200 -0.152 0.000 2.051 758 E HA -0.094 4.238 4.350 -0.030 0.000 0.192 758 E C 2.086 178.662 176.600 -0.041 0.000 0.991 758 E CA 1.295 57.645 56.400 -0.083 0.000 0.799 758 E CB -0.586 29.108 29.700 -0.010 0.000 0.748 758 E HN 0.456 nan 8.360 nan 0.000 0.449 759 A N 2.372 125.179 122.820 -0.022 0.000 1.892 759 A HA -0.245 4.058 4.320 -0.030 0.000 0.218 759 A C 2.353 179.926 177.584 -0.018 0.000 1.188 759 A CA 2.279 54.307 52.037 -0.015 0.000 0.631 759 A CB -0.729 18.271 19.000 -0.001 0.000 0.822 759 A HN 0.483 nan 8.150 nan 0.000 0.447 760 R N -1.294 119.199 120.500 -0.011 0.000 2.300 760 R HA 0.394 4.716 4.340 -0.030 0.000 0.199 760 R C 1.470 177.808 176.300 0.063 0.000 0.920 760 R CA 0.811 56.921 56.100 0.017 0.000 1.046 760 R CB -0.264 30.047 30.300 0.018 0.000 0.984 760 R HN 0.483 nan 8.270 nan 0.000 0.493 761 I N 1.296 121.878 120.570 0.020 0.000 2.685 761 I HA -0.113 4.039 4.170 -0.030 0.000 0.251 761 I C 2.102 178.210 176.117 -0.014 0.000 1.102 761 I CA 0.769 62.067 61.300 -0.003 0.000 1.442 761 I CB 0.274 38.220 38.000 -0.090 0.000 1.194 761 I HN 0.206 nan 8.210 nan 0.000 0.448 762 Q N -0.393 119.389 119.800 -0.030 0.000 2.317 762 Q HA 0.143 4.465 4.340 -0.030 0.000 0.220 762 Q C 1.718 177.716 176.000 -0.005 0.000 0.873 762 Q CA 0.285 56.065 55.803 -0.039 0.000 0.936 762 Q CB 0.419 29.120 28.738 -0.061 0.000 1.105 762 Q HN 0.382 nan 8.270 nan 0.000 0.520 763 M N 0.715 120.313 119.600 -0.005 0.000 2.313 763 M HA 0.293 4.755 4.480 -0.030 0.000 0.273 763 M C -0.401 175.848 176.300 -0.084 0.000 1.049 763 M CA -0.536 54.743 55.300 -0.034 0.000 1.004 763 M CB 0.878 33.458 32.600 -0.034 0.000 1.461 763 M HN 0.248 nan 8.290 nan 0.000 0.514 764 L N 0.677 121.866 121.223 -0.056 0.000 2.485 764 L HA 0.051 4.373 4.340 -0.030 0.000 0.275 764 L C 1.454 178.173 176.870 -0.251 0.000 1.207 764 L CA 0.675 55.406 54.840 -0.181 0.000 0.855 764 L CB 0.999 42.948 42.059 -0.183 0.000 1.114 764 L HN 0.383 nan 8.230 nan 0.000 0.485 765 S N 3.586 119.055 115.700 -0.384 0.000 2.368 765 S HA -0.164 4.289 4.470 -0.030 0.000 0.225 765 S C 1.781 176.275 174.600 -0.176 0.000 1.030 765 S CA 0.921 58.965 58.200 -0.261 0.000 0.999 765 S CB -0.698 62.405 63.200 -0.162 0.000 0.844 765 S HN 0.862 nan 8.310 nan 0.000 0.459 766 A N 1.553 124.213 122.820 -0.267 0.000 1.972 766 A HA -0.108 4.194 4.320 -0.030 0.000 0.219 766 A C 2.092 179.520 177.584 -0.261 0.000 1.169 766 A CA 1.564 53.417 52.037 -0.307 0.000 0.635 766 A CB -0.995 17.715 19.000 -0.484 0.000 0.810 766 A HN 0.745 nan 8.150 nan 0.000 0.446 767 H N -0.302 118.677 119.070 -0.152 0.000 2.436 767 H HA 0.059 4.597 4.556 -0.030 0.000 0.294 767 H C 0.363 175.647 175.328 -0.074 0.000 1.048 767 H CA 0.558 56.530 56.048 -0.126 0.000 1.353 767 H CB -0.177 29.514 29.762 -0.119 0.000 1.414 767 H HN 0.482 nan 8.280 nan 0.000 0.536 768 N N 1.469 120.189 118.700 0.032 0.000 3.083 768 N HA 0.087 4.809 4.740 -0.030 0.000 0.260 768 N C 0.600 176.122 175.510 0.020 0.000 1.163 768 N CA -0.096 52.968 53.050 0.024 0.000 1.060 768 N CB 0.761 39.240 38.487 -0.012 0.000 1.345 768 N HN 0.180 nan 8.380 nan 0.000 0.515 769 L N 0.674 121.941 121.223 0.073 0.000 2.168 769 L HA 0.178 4.500 4.340 -0.030 0.000 0.203 769 L C 0.743 177.679 176.870 0.111 0.000 1.078 769 L CA 0.734 55.629 54.840 0.090 0.000 0.780 769 L CB 0.146 42.276 42.059 0.118 0.000 0.939 769 L HN 0.293 nan 8.230 nan 0.000 0.451 770 L N -0.464 120.840 121.223 0.135 0.000 2.379 770 L HA 0.275 4.597 4.340 -0.030 0.000 0.269 770 L C 0.500 177.366 176.870 -0.007 0.000 1.084 770 L CA -0.456 54.404 54.840 0.032 0.000 0.802 770 L CB 1.525 43.552 42.059 -0.054 0.000 1.175 770 L HN 0.083 nan 8.230 nan 0.000 0.448 771 S N 0.686 116.364 115.700 -0.037 0.000 2.616 771 S HA 0.383 4.835 4.470 -0.030 0.000 0.277 771 S C -2.096 172.475 174.600 -0.049 0.000 1.234 771 S CA -1.216 56.948 58.200 -0.060 0.000 1.028 771 S CB 1.553 64.692 63.200 -0.102 0.000 0.988 771 S HN 0.382 nan 8.310 nan 0.000 0.522 772 P HA 0.140 nan 4.420 nan 0.000 0.230 772 P C 1.005 178.270 177.300 -0.060 0.000 1.158 772 P CA 0.910 64.000 63.100 -0.017 0.000 0.769 772 P CB -0.002 31.671 31.700 -0.045 0.000 0.807 773 A N -0.755 121.989 122.820 -0.127 0.000 1.862 773 A HA 0.137 4.439 4.320 -0.030 0.000 0.211 773 A C 1.106 178.740 177.584 0.082 0.000 1.220 773 A CA 1.095 53.055 52.037 -0.128 0.000 0.616 773 A CB -0.604 18.307 19.000 -0.147 0.000 0.878 773 A HN 0.273 nan 8.150 nan 0.000 0.453 774 S N -2.345 113.381 115.700 0.044 0.000 2.568 774 S HA 0.551 5.003 4.470 -0.030 0.000 0.293 774 S C 0.959 175.583 174.600 0.040 0.000 1.089 774 S CA -0.104 58.145 58.200 0.082 0.000 0.945 774 S CB 1.390 64.629 63.200 0.065 0.000 1.077 774 S HN 0.618 nan 8.310 nan 0.000 0.485 775 G N 0.473 109.312 108.800 0.065 0.000 2.470 775 G HA2 -0.038 3.904 3.960 -0.030 0.000 0.220 775 G HA3 -0.038 3.904 3.960 -0.030 0.000 0.220 775 G C 0.335 175.205 174.900 -0.051 0.000 1.121 775 G CA 0.282 45.382 45.100 -0.000 0.000 0.766 775 G HN 0.733 nan 8.290 nan 0.000 0.553 776 E N 1.281 121.501 120.200 0.032 0.000 2.604 776 E HA 0.033 4.365 4.350 -0.030 0.000 0.267 776 E C -2.264 174.319 176.600 -0.030 0.000 0.970 776 E CA -1.310 55.091 56.400 0.001 0.000 0.956 776 E CB -0.102 29.629 29.700 0.052 0.000 0.939 776 E HN 0.141 nan 8.360 nan 0.000 0.465 777 P HA -0.012 nan 4.420 nan 0.000 0.268 777 P C 0.398 177.720 177.300 0.037 0.000 1.204 777 P CA -0.123 63.000 63.100 0.039 0.000 0.768 777 P CB 0.518 32.279 31.700 0.103 0.000 0.842 778 L N 3.681 124.922 121.223 0.030 0.000 2.357 778 L HA 0.330 4.652 4.340 -0.030 0.000 0.211 778 L C 0.770 177.660 176.870 0.034 0.000 1.075 778 L CA 0.931 55.782 54.840 0.019 0.000 0.830 778 L CB -0.584 41.472 42.059 -0.005 0.000 0.996 778 L HN 0.295 nan 8.230 nan 0.000 0.467 779 A N 1.361 124.205 122.820 0.040 0.000 2.366 779 A HA 0.567 4.870 4.320 -0.030 0.000 0.322 779 A C -0.360 177.258 177.584 0.057 0.000 1.397 779 A CA -0.465 51.596 52.037 0.040 0.000 0.984 779 A CB -0.288 18.722 19.000 0.017 0.000 1.149 779 A HN 0.303 nan 8.150 nan 0.000 0.540 780 K N 1.540 121.980 120.400 0.067 0.000 2.509 780 K HA 0.621 4.923 4.320 -0.030 0.000 0.266 780 K C -3.256 173.390 176.600 0.076 0.000 0.987 780 K CA -2.198 54.135 56.287 0.076 0.000 0.868 780 K CB 1.175 33.725 32.500 0.083 0.000 1.421 780 K HN 0.098 nan 8.250 nan 0.000 0.444 781 P HA 0.077 nan 4.420 nan 0.000 0.263 781 P C -0.355 176.989 177.300 0.074 0.000 1.345 781 P CA 0.379 63.514 63.100 0.058 0.000 1.119 781 P CB 0.565 32.308 31.700 0.072 0.000 1.363 782 S N 3.160 118.912 115.700 0.086 0.000 2.321 782 S HA -0.032 4.421 4.470 -0.030 0.000 0.188 782 S C 1.716 176.374 174.600 0.096 0.000 1.080 782 S CA 0.684 58.940 58.200 0.093 0.000 1.198 782 S CB -0.031 63.233 63.200 0.107 0.000 0.926 782 S HN 0.451 nan 8.310 nan 0.000 0.426 783 R N 0.873 121.446 120.500 0.122 0.000 2.087 783 R HA 0.272 4.594 4.340 -0.030 0.000 0.213 783 R C 1.441 177.824 176.300 0.139 0.000 1.137 783 R CA 1.058 57.226 56.100 0.114 0.000 1.022 783 R CB -0.672 29.696 30.300 0.112 0.000 0.920 783 R HN 0.282 nan 8.270 nan 0.000 0.451 784 D N 0.843 121.365 120.400 0.203 0.000 2.194 784 D HA 0.039 4.661 4.640 -0.030 0.000 0.204 784 D C 1.768 178.196 176.300 0.214 0.000 0.964 784 D CA 0.625 54.776 54.000 0.252 0.000 0.846 784 D CB 0.147 41.192 40.800 0.408 0.000 0.962 784 D HN 0.075 nan 8.370 nan 0.000 0.490 785 I N 0.303 120.932 120.570 0.097 0.000 2.286 785 I HA -0.168 3.985 4.170 -0.030 0.000 0.245 785 I C 2.043 178.234 176.117 0.123 0.000 1.104 785 I CA 0.674 61.966 61.300 -0.013 0.000 1.397 785 I CB -0.102 37.789 38.000 -0.181 0.000 1.072 785 I HN 0.053 nan 8.210 nan 0.000 0.417 786 I N -0.121 120.527 120.570 0.130 0.000 2.091 786 I HA -0.335 3.817 4.170 -0.030 0.000 0.239 786 I C 2.503 178.757 176.117 0.228 0.000 1.061 786 I CA 1.280 62.678 61.300 0.163 0.000 1.317 786 I CB -0.458 37.602 38.000 0.100 0.000 1.031 786 I HN 0.229 nan 8.210 nan 0.000 0.401 787 L N 1.354 122.689 121.223 0.186 0.000 2.064 787 L HA -0.207 4.116 4.340 -0.030 0.000 0.216 787 L C 2.267 179.337 176.870 0.333 0.000 1.077 787 L CA 2.435 57.409 54.840 0.224 0.000 0.766 787 L CB -1.578 40.579 42.059 0.163 0.000 0.890 787 L HN 0.290 nan 8.230 nan 0.000 0.435 788 G N -0.677 108.311 108.800 0.314 0.000 2.484 788 G HA2 -0.235 3.708 3.960 -0.030 0.000 0.215 788 G HA3 -0.235 3.708 3.960 -0.030 0.000 0.215 788 G C 1.567 176.769 174.900 0.503 0.000 1.219 788 G CA 0.862 46.202 45.100 0.400 0.000 0.791 788 G HN 0.448 nan 8.290 nan 0.000 0.550 789 L N -0.580 120.923 121.223 0.466 0.000 2.349 789 L HA -0.079 4.243 4.340 -0.030 0.000 0.220 789 L C 2.502 179.589 176.870 0.361 0.000 1.130 789 L CA 0.978 56.123 54.840 0.509 0.000 0.791 789 L CB -0.408 41.957 42.059 0.509 0.000 0.918 789 L HN 0.395 nan 8.230 nan 0.000 0.444 790 Y N -0.631 119.802 120.300 0.220 0.000 2.177 790 Y HA -0.257 4.290 4.550 -0.006 0.000 0.291 790 Y C 2.684 178.694 175.900 0.183 0.000 1.117 790 Y CA 1.150 59.338 58.100 0.148 0.000 1.114 790 Y CB -0.468 38.082 38.460 0.150 0.000 1.017 790 Y HN -0.037 nan 8.280 nan 0.000 0.505 791 Y N 1.155 121.629 120.300 0.290 0.000 2.102 791 Y HA -0.363 4.193 4.550 0.009 0.000 0.280 791 Y C 2.557 178.458 175.900 0.002 0.000 1.178 791 Y CA 2.124 60.330 58.100 0.177 0.000 1.146 791 Y CB -0.749 37.845 38.460 0.224 0.000 0.968 791 Y HN 0.418 nan 8.280 nan 0.000 0.504 792 I N -0.364 120.243 120.570 0.061 0.000 2.163 792 I HA -0.207 3.945 4.170 -0.030 0.000 0.243 792 I C 0.641 176.634 176.117 -0.207 0.000 1.085 792 I CA 1.906 63.101 61.300 -0.175 0.000 1.347 792 I CB -0.467 37.310 38.000 -0.371 0.000 1.044 792 I HN 0.353 nan 8.210 nan 0.000 0.408 793 T N 0.901 115.342 114.554 -0.187 0.000 2.910 793 T HA 0.495 4.828 4.350 -0.030 0.000 0.323 793 T C -0.352 174.139 174.700 -0.349 0.000 1.091 793 T CA -0.574 61.382 62.100 -0.240 0.000 0.960 793 T CB 1.076 69.781 68.868 -0.271 0.000 1.024 793 T HN 0.435 nan 8.240 nan 0.000 0.509 794 Q N 2.175 121.811 119.800 -0.274 0.000 2.503 794 Q HA 0.364 4.686 4.340 -0.030 0.000 0.268 794 Q C -1.751 174.196 176.000 -0.088 0.000 0.982 794 Q CA -0.605 55.049 55.803 -0.249 0.000 0.907 794 Q CB 2.897 31.468 28.738 -0.279 0.000 1.467 794 Q HN 0.641 nan 8.270 nan 0.000 0.394 795 V N 3.078 122.949 119.914 -0.071 0.000 2.547 795 V HA 0.615 4.717 4.120 -0.030 0.000 0.299 795 V C 0.339 176.453 176.094 0.033 0.000 1.040 795 V CA -0.837 61.462 62.300 -0.002 0.000 0.913 795 V CB 1.597 33.408 31.823 -0.021 0.000 0.992 795 V HN 0.720 nan 8.190 nan 0.000 0.449 796 R N 2.604 123.178 120.500 0.124 0.000 2.607 796 R HA 0.776 5.098 4.340 -0.030 0.000 0.261 796 R C -1.265 175.084 176.300 0.081 0.000 1.051 796 R CA -0.943 55.260 56.100 0.172 0.000 1.110 796 R CB 1.211 31.713 30.300 0.337 0.000 1.158 796 R HN 0.705 nan 8.270 nan 0.000 0.543 797 K N 0.367 120.813 120.400 0.077 0.000 2.553 797 K HA 0.280 4.582 4.320 -0.030 0.000 0.250 797 K C -1.236 175.400 176.600 0.059 0.000 0.953 797 K CA -0.575 55.739 56.287 0.046 0.000 0.800 797 K CB 2.735 35.240 32.500 0.010 0.000 1.243 797 K HN 0.676 nan 8.250 nan 0.000 0.435 798 E N 1.504 121.735 120.200 0.052 0.000 2.493 798 E HA 0.228 4.560 4.350 -0.030 0.000 0.243 798 E C -1.025 175.594 176.600 0.031 0.000 0.875 798 E CA -1.110 55.322 56.400 0.053 0.000 0.872 798 E CB 1.185 30.923 29.700 0.063 0.000 1.476 798 E HN 0.467 nan 8.360 nan 0.000 0.394 799 K N 1.775 122.194 120.400 0.031 0.000 2.477 799 K HA -0.145 4.157 4.320 -0.030 0.000 0.275 799 K C -0.637 175.967 176.600 0.008 0.000 1.054 799 K CA 0.773 57.072 56.287 0.019 0.000 1.135 799 K CB 0.268 32.782 32.500 0.024 0.000 0.854 799 K HN 0.251 nan 8.250 nan 0.000 0.484 800 K N 4.648 125.048 120.400 -0.000 0.000 2.419 800 K HA 0.162 4.464 4.320 -0.030 0.000 0.244 800 K C 0.144 176.738 176.600 -0.010 0.000 1.045 800 K CA -0.448 55.832 56.287 -0.012 0.000 1.004 800 K CB 0.876 33.367 32.500 -0.016 0.000 1.376 800 K HN 0.876 nan 8.250 nan 0.000 0.460 801 G N 2.296 111.092 108.800 -0.007 0.000 2.651 801 G HA2 0.134 4.076 3.960 -0.030 0.000 0.226 801 G HA3 0.134 4.076 3.960 -0.030 0.000 0.226 801 G C -0.083 174.815 174.900 -0.003 0.000 1.542 801 G CA 0.011 45.111 45.100 -0.000 0.000 0.868 801 G HN 0.627 nan 8.290 nan 0.000 0.588 802 A N 0.781 123.604 122.820 0.004 0.000 2.545 802 A HA 0.467 4.769 4.320 -0.030 0.000 0.253 802 A C 1.230 178.785 177.584 -0.049 0.000 1.074 802 A CA 0.447 52.492 52.037 0.013 0.000 0.760 802 A CB -0.124 18.917 19.000 0.067 0.000 1.005 802 A HN 1.041 nan 8.150 nan 0.000 0.506 803 G N 2.728 111.511 108.800 -0.027 0.000 2.819 803 G HA2 0.351 4.294 3.960 -0.030 0.000 0.272 803 G HA3 0.351 4.294 3.960 -0.030 0.000 0.272 803 G C 0.222 175.033 174.900 -0.148 0.000 0.701 803 G CA 0.028 45.095 45.100 -0.056 0.000 2.095 803 G HN 1.264 nan 8.290 nan 0.000 0.577 804 L N -0.802 120.228 121.223 -0.322 0.000 2.342 804 L HA 0.522 4.844 4.340 -0.030 0.000 0.285 804 L C -0.157 176.606 176.870 -0.178 0.000 1.095 804 L CA -0.188 54.321 54.840 -0.552 0.000 0.843 804 L CB 0.846 42.428 42.059 -0.794 0.000 1.201 804 L HN 0.026 nan 8.230 nan 0.000 0.445 805 E N 4.334 124.494 120.200 -0.067 0.000 3.303 805 E HA 0.054 4.386 4.350 -0.030 0.000 0.215 805 E C 0.085 176.692 176.600 0.011 0.000 1.181 805 E CA -0.082 56.309 56.400 -0.015 0.000 0.998 805 E CB 0.495 30.179 29.700 -0.026 0.000 1.312 805 E HN 0.809 nan 8.360 nan 0.000 0.412 806 F N 2.112 122.060 119.950 -0.003 0.000 2.408 806 F HA -0.090 4.419 4.527 -0.030 0.000 0.300 806 F C 1.855 177.672 175.800 0.027 0.000 1.090 806 F CA 1.079 59.109 58.000 0.050 0.000 1.427 806 F CB 0.090 39.125 39.000 0.059 0.000 1.070 806 F HN 0.354 nan 8.300 nan 0.000 0.549 807 A N -0.481 122.020 122.820 -0.533 0.000 2.204 807 A HA -0.197 4.105 4.320 -0.030 0.000 0.220 807 A C 1.958 179.157 177.584 -0.641 0.000 1.165 807 A CA 2.326 54.013 52.037 -0.584 0.000 0.671 807 A CB -1.061 17.794 19.000 -0.242 0.000 0.792 807 A HN 0.510 nan 8.150 nan 0.000 0.473 808 T N -1.525 112.681 114.554 -0.579 0.000 3.286 808 T HA 0.207 4.539 4.350 -0.030 0.000 0.237 808 T C -1.629 172.932 174.700 -0.233 0.000 0.969 808 T CA -0.093 61.810 62.100 -0.329 0.000 1.298 808 T CB -1.165 67.600 68.868 -0.172 0.000 1.053 808 T HN 0.237 nan 8.240 nan 0.000 0.402 809 P HA 0.295 nan 4.420 nan 0.000 0.272 809 P C 0.177 177.580 177.300 0.173 0.000 1.223 809 P CA -0.031 63.084 63.100 0.025 0.000 0.784 809 P CB 0.696 32.428 31.700 0.053 0.000 0.923 810 E N 0.617 120.896 120.200 0.131 0.000 2.299 810 E HA -0.109 4.224 4.350 -0.030 0.000 0.193 810 E C 1.073 177.740 176.600 0.111 0.000 0.998 810 E CA 0.761 57.253 56.400 0.153 0.000 0.851 810 E CB 0.006 29.752 29.700 0.076 0.000 0.795 810 E HN 0.586 nan 8.360 nan 0.000 0.492 811 E N 0.701 120.947 120.200 0.077 0.000 2.299 811 E HA 0.007 4.339 4.350 -0.030 0.000 0.193 811 E C 1.936 178.537 176.600 0.003 0.000 0.998 811 E CA 0.465 56.875 56.400 0.017 0.000 0.851 811 E CB 0.143 29.842 29.700 -0.001 0.000 0.795 811 E HN 0.206 nan 8.360 nan 0.000 0.492 812 A N 1.139 124.039 122.820 0.133 0.000 1.968 812 A HA -0.120 4.182 4.320 -0.030 0.000 0.217 812 A C 2.186 179.939 177.584 0.282 0.000 1.169 812 A CA 0.926 53.111 52.037 0.247 0.000 0.638 812 A CB -0.386 18.878 19.000 0.440 0.000 0.812 812 A HN 0.259 nan 8.150 nan 0.000 0.446 813 L N -1.568 119.772 121.223 0.195 0.000 2.023 813 L HA 0.201 4.523 4.340 -0.030 0.000 0.205 813 L C 2.411 179.121 176.870 -0.267 0.000 1.073 813 L CA 2.170 56.735 54.840 -0.458 0.000 0.745 813 L CB -1.429 40.403 42.059 -0.377 0.000 0.900 813 L HN 0.147 nan 8.230 nan 0.000 0.435 814 A N 0.498 123.236 122.820 -0.137 0.000 1.845 814 A HA -0.020 4.282 4.320 -0.030 0.000 0.215 814 A C 2.561 180.061 177.584 -0.139 0.000 1.195 814 A CA 2.451 54.415 52.037 -0.121 0.000 0.616 814 A CB -1.430 17.524 19.000 -0.077 0.000 0.832 814 A HN 0.663 nan 8.150 nan 0.000 0.443 815 A N -0.994 121.716 122.820 -0.183 0.000 1.865 815 A HA -0.224 4.078 4.320 -0.030 0.000 0.217 815 A C 1.910 179.347 177.584 -0.245 0.000 1.191 815 A CA 1.737 53.621 52.037 -0.256 0.000 0.623 815 A CB -0.965 17.792 19.000 -0.406 0.000 0.826 815 A HN 0.673 nan 8.150 nan 0.000 0.444 816 H N -0.796 118.250 119.070 -0.041 0.000 2.547 816 H HA 0.153 4.691 4.556 -0.030 0.000 0.266 816 H C 1.502 176.772 175.328 -0.097 0.000 0.988 816 H CA 0.753 56.772 56.048 -0.048 0.000 1.147 816 H CB 0.119 29.872 29.762 -0.016 0.000 1.365 816 H HN 0.695 nan 8.280 nan 0.000 0.589 817 E N 0.549 120.712 120.200 -0.062 0.000 2.166 817 E HA 0.015 4.347 4.350 -0.030 0.000 0.192 817 E C 1.891 178.446 176.600 -0.075 0.000 0.967 817 E CA -0.015 56.321 56.400 -0.108 0.000 0.840 817 E CB 0.496 30.101 29.700 -0.159 0.000 0.795 817 E HN 0.369 nan 8.360 nan 0.000 0.470 818 R N -0.008 120.454 120.500 -0.064 0.000 2.062 818 R HA 0.005 4.327 4.340 -0.030 0.000 0.226 818 R C 2.474 178.763 176.300 -0.019 0.000 1.125 818 R CA 1.058 57.131 56.100 -0.045 0.000 0.966 818 R CB -0.502 29.768 30.300 -0.050 0.000 0.861 818 R HN 0.103 nan 8.270 nan 0.000 0.433 819 G N 1.655 110.454 108.800 -0.003 0.000 2.442 819 G HA2 -0.312 3.630 3.960 -0.030 0.000 0.219 819 G HA3 -0.312 3.630 3.960 -0.030 0.000 0.219 819 G C 1.384 176.303 174.900 0.032 0.000 1.141 819 G CA 0.587 45.705 45.100 0.031 0.000 0.763 819 G HN 0.261 nan 8.290 nan 0.000 0.554 820 E N 0.687 120.902 120.200 0.024 0.000 2.072 820 E HA -0.087 4.245 4.350 -0.030 0.000 0.191 820 E C 2.753 179.356 176.600 0.005 0.000 0.985 820 E CA 0.941 57.349 56.400 0.013 0.000 0.801 820 E CB -0.322 29.374 29.700 -0.007 0.000 0.750 820 E HN 0.261 nan 8.360 nan 0.000 0.452 821 V N 1.848 121.757 119.914 -0.008 0.000 2.332 821 V HA -0.217 3.885 4.120 -0.030 0.000 0.248 821 V C 1.938 178.036 176.094 0.007 0.000 1.055 821 V CA 1.411 63.708 62.300 -0.004 0.000 1.038 821 V CB -1.038 30.775 31.823 -0.015 0.000 0.651 821 V HN 0.344 nan 8.190 nan 0.000 0.450 822 A N -0.235 122.589 122.820 0.007 0.000 2.262 822 A HA 0.260 4.562 4.320 -0.030 0.000 0.275 822 A C 1.145 178.740 177.584 0.018 0.000 1.402 822 A CA 0.370 52.414 52.037 0.012 0.000 0.817 822 A CB -0.098 18.909 19.000 0.012 0.000 1.271 822 A HN 0.340 nan 8.150 nan 0.000 0.520 823 L N -0.472 120.763 121.223 0.020 0.000 2.592 823 L HA 0.038 4.360 4.340 -0.030 0.000 0.227 823 L C 1.559 178.443 176.870 0.025 0.000 1.127 823 L CA -0.006 54.847 54.840 0.022 0.000 0.884 823 L CB -0.550 41.521 42.059 0.020 0.000 1.065 823 L HN 0.571 nan 8.230 nan 0.000 0.457 824 N N 1.341 120.057 118.700 0.028 0.000 2.220 824 N HA 0.055 4.778 4.740 -0.030 0.000 0.193 824 N C 0.879 176.406 175.510 0.028 0.000 1.052 824 N CA 0.805 53.873 53.050 0.031 0.000 0.898 824 N CB -0.261 38.250 38.487 0.041 0.000 1.080 824 N HN 0.152 nan 8.380 nan 0.000 0.467 825 A N 2.433 125.274 122.820 0.035 0.000 2.488 825 A HA 0.341 4.644 4.320 -0.030 0.000 0.249 825 A C -2.128 175.467 177.584 0.018 0.000 1.083 825 A CA -0.647 51.402 52.037 0.020 0.000 0.768 825 A CB -0.197 18.821 19.000 0.029 0.000 1.017 825 A HN 0.168 nan 8.150 nan 0.000 0.496 826 P HA 0.332 nan 4.420 nan 0.000 0.293 826 P C 0.610 177.925 177.300 0.025 0.000 1.304 826 P CA -0.548 62.567 63.100 0.026 0.000 0.767 826 P CB 0.488 32.206 31.700 0.031 0.000 1.247 827 I N -1.081 119.515 120.570 0.042 0.000 3.226 827 I HA -0.010 4.142 4.170 -0.030 0.000 0.277 827 I C 0.726 176.870 176.117 0.045 0.000 1.243 827 I CA 0.858 62.188 61.300 0.050 0.000 1.459 827 I CB -0.290 37.767 38.000 0.095 0.000 1.093 827 I HN 0.173 nan 8.210 nan 0.000 0.453 828 K N 2.190 122.616 120.400 0.044 0.000 2.592 828 K HA 0.541 4.843 4.320 -0.030 0.000 0.212 828 K C -1.192 175.424 176.600 0.027 0.000 1.013 828 K CA -0.300 56.011 56.287 0.039 0.000 1.034 828 K CB 1.445 33.978 32.500 0.055 0.000 1.292 828 K HN -0.141 nan 8.250 nan 0.000 0.521 829 V N 0.763 120.686 119.914 0.014 0.000 2.555 829 V HA 0.563 4.665 4.120 -0.030 0.000 0.302 829 V C 0.224 176.317 176.094 -0.002 0.000 1.038 829 V CA -1.299 61.001 62.300 -0.000 0.000 0.887 829 V CB 1.768 33.579 31.823 -0.020 0.000 0.991 829 V HN 0.729 nan 8.190 nan 0.000 0.434 830 A N 2.850 125.665 122.820 -0.008 0.000 2.484 830 A HA 0.646 4.948 4.320 -0.030 0.000 0.268 830 A C 0.616 178.190 177.584 -0.017 0.000 1.114 830 A CA 0.572 52.605 52.037 -0.008 0.000 0.780 830 A CB -0.380 18.613 19.000 -0.011 0.000 1.061 830 A HN 1.444 nan 8.150 nan 0.000 0.505 831 G N 2.342 111.141 108.800 -0.002 0.000 2.668 831 G HA2 0.424 4.366 3.960 -0.030 0.000 0.284 831 G HA3 0.424 4.366 3.960 -0.030 0.000 0.284 831 G C 0.318 175.232 174.900 0.024 0.000 1.456 831 G CA -0.569 44.536 45.100 0.009 0.000 1.214 831 G HN 0.648 nan 8.290 nan 0.000 0.568 832 R N 1.459 121.963 120.500 0.007 0.000 2.127 832 R HA -0.113 4.209 4.340 -0.030 0.000 0.228 832 R C 2.191 178.503 176.300 0.020 0.000 1.125 832 R CA 2.395 58.497 56.100 0.004 0.000 0.904 832 R CB -0.472 29.820 30.300 -0.014 0.000 0.831 832 R HN 0.696 nan 8.270 nan 0.000 0.431 833 E N -1.164 119.048 120.200 0.020 0.000 2.005 833 E HA -0.095 4.237 4.350 -0.030 0.000 0.198 833 E C -0.203 176.451 176.600 0.089 0.000 1.010 833 E CA 1.772 58.198 56.400 0.042 0.000 0.825 833 E CB 0.042 29.754 29.700 0.020 0.000 0.769 833 E HN 0.522 nan 8.360 nan 0.000 0.456 834 T N -0.645 114.012 114.554 0.171 0.000 3.050 834 T HA 0.306 4.638 4.350 -0.030 0.000 0.310 834 T C -0.261 174.510 174.700 0.119 0.000 0.978 834 T CA -0.779 61.402 62.100 0.136 0.000 1.013 834 T CB 1.533 70.483 68.868 0.137 0.000 1.000 834 T HN 0.132 nan 8.240 nan 0.000 0.447 835 S N 2.351 118.085 115.700 0.057 0.000 2.576 835 S HA 0.096 4.548 4.470 -0.030 0.000 0.272 835 S C 1.846 176.436 174.600 -0.017 0.000 1.352 835 S CA -0.124 58.092 58.200 0.027 0.000 1.021 835 S CB 0.966 64.176 63.200 0.017 0.000 0.887 835 S HN 1.363 nan 8.310 nan 0.000 0.542 836 V N 3.361 123.248 119.914 -0.045 0.000 2.636 836 V HA -0.055 4.047 4.120 -0.030 0.000 0.258 836 V C 2.052 178.072 176.094 -0.124 0.000 1.092 836 V CA 2.667 64.902 62.300 -0.109 0.000 1.110 836 V CB -1.580 30.193 31.823 -0.082 0.000 0.685 836 V HN 1.073 nan 8.190 nan 0.000 0.481 837 G N -0.703 108.065 108.800 -0.053 0.000 2.470 837 G HA2 -0.216 3.727 3.960 -0.030 0.000 0.220 837 G HA3 -0.216 3.727 3.960 -0.030 0.000 0.220 837 G C 1.766 176.647 174.900 -0.031 0.000 1.121 837 G CA 0.753 45.847 45.100 -0.010 0.000 0.766 837 G HN 0.533 nan 8.290 nan 0.000 0.553 838 R N -0.889 119.574 120.500 -0.062 0.000 2.189 838 R HA 0.310 4.632 4.340 -0.030 0.000 0.203 838 R C 2.454 178.669 176.300 -0.141 0.000 1.012 838 R CA -0.125 55.931 56.100 -0.074 0.000 1.015 838 R CB -0.147 30.136 30.300 -0.029 0.000 0.938 838 R HN 0.317 nan 8.270 nan 0.000 0.472 839 L N 0.833 121.946 121.223 -0.183 0.000 2.017 839 L HA -0.206 4.116 4.340 -0.030 0.000 0.208 839 L C 2.537 179.233 176.870 -0.290 0.000 1.073 839 L CA 1.568 56.262 54.840 -0.244 0.000 0.745 839 L CB -0.273 41.592 42.059 -0.323 0.000 0.894 839 L HN 0.096 nan 8.230 nan 0.000 0.432 840 K N -0.825 119.324 120.400 -0.419 0.000 2.026 840 K HA -0.123 4.179 4.320 -0.030 0.000 0.208 840 K C -0.389 175.770 176.600 -0.736 0.000 1.048 840 K CA 1.129 57.001 56.287 -0.692 0.000 0.929 840 K CB 0.101 31.936 32.500 -1.107 0.000 0.713 840 K HN 0.141 nan 8.250 nan 0.000 0.439 841 Y N -0.477 119.714 120.300 -0.182 0.000 2.409 841 Y HA 0.454 4.996 4.550 -0.013 0.000 0.343 841 Y C -0.783 174.819 175.900 -0.497 0.000 0.973 841 Y CA -1.431 56.477 58.100 -0.320 0.000 1.064 841 Y CB 1.947 40.138 38.460 -0.449 0.000 1.207 841 Y HN -0.373 nan 8.280 nan 0.000 0.452 842 V N 3.788 123.546 119.914 -0.259 0.000 2.588 842 V HA 0.453 4.555 4.120 -0.030 0.000 0.304 842 V C -0.893 175.175 176.094 -0.043 0.000 1.042 842 V CA -1.235 60.937 62.300 -0.213 0.000 0.877 842 V CB 1.690 33.486 31.823 -0.045 0.000 0.996 842 V HN 0.664 nan 8.190 nan 0.000 0.425 843 F N 2.173 122.167 119.950 0.074 0.000 2.449 843 F HA 0.617 5.096 4.527 -0.080 0.000 0.342 843 F C 1.196 177.018 175.800 0.037 0.000 1.127 843 F CA -0.788 57.243 58.000 0.052 0.000 0.975 843 F CB 2.106 41.133 39.000 0.047 0.000 1.146 843 F HN 0.658 nan 8.300 nan 0.000 0.444 844 A N 3.461 126.416 122.820 0.225 0.000 1.823 844 A HA -0.161 4.141 4.320 -0.030 0.000 0.214 844 A C 0.896 178.526 177.584 0.077 0.000 1.227 844 A CA 1.307 53.413 52.037 0.115 0.000 0.616 844 A CB -0.583 18.464 19.000 0.078 0.000 0.874 844 A HN 0.723 nan 8.150 nan 0.000 0.455 845 N N -0.862 117.861 118.700 0.038 0.000 2.408 845 N HA 0.317 5.040 4.740 -0.030 0.000 0.260 845 N C -2.010 173.488 175.510 -0.020 0.000 1.242 845 N CA -1.483 51.560 53.050 -0.012 0.000 0.959 845 N CB 0.783 39.253 38.487 -0.028 0.000 1.201 845 N HN -0.091 nan 8.380 nan 0.000 0.511 846 P HA -0.073 nan 4.420 nan 0.000 0.213 846 P C 0.014 177.288 177.300 -0.043 0.000 1.170 846 P CA 1.499 64.552 63.100 -0.077 0.000 0.898 846 P CB 0.069 31.654 31.700 -0.191 0.000 0.787 847 D N -0.429 119.934 120.400 -0.062 0.000 2.158 847 D HA -0.189 4.433 4.640 -0.030 0.000 0.197 847 D C 1.785 178.016 176.300 -0.114 0.000 0.995 847 D CA 0.934 54.893 54.000 -0.067 0.000 0.846 847 D CB -0.685 40.083 40.800 -0.054 0.000 0.941 847 D HN 0.289 nan 8.370 nan 0.000 0.456 848 E N 0.449 120.575 120.200 -0.123 0.000 2.147 848 E HA -0.281 4.051 4.350 -0.030 0.000 0.199 848 E C 2.175 178.462 176.600 -0.522 0.000 1.005 848 E CA 1.195 57.461 56.400 -0.224 0.000 0.810 848 E CB -0.220 29.407 29.700 -0.122 0.000 0.736 848 E HN 0.394 nan 8.360 nan 0.000 0.460 849 A N 0.746 123.318 122.820 -0.413 0.000 1.933 849 A HA -0.146 4.156 4.320 -0.030 0.000 0.218 849 A C 2.182 179.535 177.584 -0.384 0.000 1.175 849 A CA 1.186 52.907 52.037 -0.526 0.000 0.628 849 A CB -0.362 18.693 19.000 0.091 0.000 0.814 849 A HN 0.124 nan 8.150 nan 0.000 0.444 850 L N -0.696 120.403 121.223 -0.207 0.000 2.307 850 L HA 0.079 4.401 4.340 -0.030 0.000 0.211 850 L C 2.253 179.042 176.870 -0.135 0.000 1.099 850 L CA 0.397 55.159 54.840 -0.130 0.000 0.816 850 L CB -0.401 41.619 42.059 -0.066 0.000 0.952 850 L HN 0.276 nan 8.230 nan 0.000 0.455 851 L N -0.053 121.080 121.223 -0.150 0.000 2.046 851 L HA -0.207 4.116 4.340 -0.030 0.000 0.208 851 L C 2.832 179.694 176.870 -0.013 0.000 1.077 851 L CA 1.332 56.139 54.840 -0.055 0.000 0.747 851 L CB -0.830 41.211 42.059 -0.031 0.000 0.896 851 L HN 0.325 nan 8.230 nan 0.000 0.432 852 A N -0.420 122.284 122.820 -0.193 0.000 1.978 852 A HA -0.149 4.153 4.320 -0.030 0.000 0.220 852 A C 2.327 179.857 177.584 -0.089 0.000 1.170 852 A CA 1.702 53.633 52.037 -0.176 0.000 0.636 852 A CB -0.684 18.055 19.000 -0.436 0.000 0.810 852 A HN 0.236 nan 8.150 nan 0.000 0.448 853 V N -0.471 119.376 119.914 -0.111 0.000 2.323 853 V HA -0.186 3.916 4.120 -0.030 0.000 0.244 853 V C 3.047 179.104 176.094 -0.061 0.000 1.041 853 V CA 1.787 64.045 62.300 -0.070 0.000 1.025 853 V CB -1.099 30.684 31.823 -0.066 0.000 0.656 853 V HN 0.606 nan 8.190 nan 0.000 0.451 854 A N -1.171 121.597 122.820 -0.087 0.000 1.940 854 A HA -0.253 4.049 4.320 -0.030 0.000 0.219 854 A C 2.036 179.494 177.584 -0.210 0.000 1.176 854 A CA 1.696 53.643 52.037 -0.150 0.000 0.631 854 A CB -0.733 18.145 19.000 -0.204 0.000 0.814 854 A HN 0.680 nan 8.150 nan 0.000 0.446 855 H N -1.441 117.595 119.070 -0.056 0.000 2.555 855 H HA 0.157 4.693 4.556 -0.034 0.000 0.269 855 H C 1.650 176.957 175.328 -0.036 0.000 0.988 855 H CA 0.950 56.972 56.048 -0.043 0.000 1.178 855 H CB 0.141 29.872 29.762 -0.051 0.000 1.373 855 H HN 0.663 nan 8.280 nan 0.000 0.588 856 G N 0.594 109.413 108.800 0.032 0.000 2.148 856 G HA2 -0.202 3.740 3.960 -0.030 0.000 0.203 856 G HA3 -0.202 3.740 3.960 -0.030 0.000 0.203 856 G C 0.999 175.901 174.900 0.004 0.000 0.993 856 G CA 0.331 45.440 45.100 0.014 0.000 0.661 856 G HN 0.259 nan 8.290 nan 0.000 0.518 857 I N -0.018 120.540 120.570 -0.020 0.000 2.494 857 I HA 0.166 4.319 4.170 -0.030 0.000 0.250 857 I C 1.163 177.192 176.117 -0.147 0.000 1.112 857 I CA 0.963 62.211 61.300 -0.087 0.000 1.438 857 I CB -0.794 37.124 38.000 -0.136 0.000 1.111 857 I HN 0.077 nan 8.210 nan 0.000 0.431 858 V N 2.632 122.483 119.914 -0.106 0.000 2.444 858 V HA 0.334 4.436 4.120 -0.030 0.000 0.294 858 V C -0.609 175.466 176.094 -0.031 0.000 1.022 858 V CA -1.132 61.126 62.300 -0.070 0.000 0.850 858 V CB 1.845 33.668 31.823 0.000 0.000 0.992 858 V HN 0.062 nan 8.190 nan 0.000 0.426 859 D N 2.661 123.048 120.400 -0.021 0.000 2.360 859 D HA 0.265 4.887 4.640 -0.030 0.000 0.242 859 D C 1.127 177.402 176.300 -0.040 0.000 1.184 859 D CA -0.251 53.730 54.000 -0.032 0.000 0.930 859 D CB 1.490 42.268 40.800 -0.037 0.000 1.161 859 D HN 0.316 nan 8.370 nan 0.000 0.447 860 L N 0.363 121.544 121.223 -0.070 0.000 2.072 860 L HA -0.209 4.114 4.340 -0.030 0.000 0.205 860 L C 1.916 178.732 176.870 -0.091 0.000 1.079 860 L CA 1.254 56.043 54.840 -0.086 0.000 0.752 860 L CB -0.247 41.728 42.059 -0.138 0.000 0.906 860 L HN 0.267 nan 8.230 nan 0.000 0.436 861 Q N -0.536 119.185 119.800 -0.132 0.000 2.515 861 Q HA 0.028 4.351 4.340 -0.030 0.000 0.214 861 Q C -0.234 175.758 176.000 -0.014 0.000 0.971 861 Q CA 0.410 56.149 55.803 -0.106 0.000 0.952 861 Q CB -0.499 28.131 28.738 -0.180 0.000 0.999 861 Q HN 0.274 nan 8.270 nan 0.000 0.524 862 D N 0.250 120.648 120.400 -0.003 0.000 2.264 862 D HA 0.139 4.761 4.640 -0.030 0.000 0.249 862 D C -0.439 175.886 176.300 0.042 0.000 1.070 862 D CA -0.427 53.593 54.000 0.035 0.000 0.912 862 D CB 1.551 42.377 40.800 0.043 0.000 1.193 862 D HN -0.099 nan 8.370 nan 0.000 0.427 863 V N 1.843 121.787 119.914 0.049 0.000 2.387 863 V HA 0.265 4.367 4.120 -0.030 0.000 0.260 863 V C 0.582 176.701 176.094 0.041 0.000 1.054 863 V CA -0.513 61.811 62.300 0.040 0.000 0.967 863 V CB 0.344 32.186 31.823 0.033 0.000 1.036 863 V HN 0.170 nan 8.190 nan 0.000 0.481 864 V N 3.320 123.252 119.914 0.031 0.000 3.166 864 V HA 0.660 4.762 4.120 -0.030 0.000 0.317 864 V C 0.384 176.455 176.094 -0.038 0.000 1.136 864 V CA -0.620 61.660 62.300 -0.032 0.000 1.035 864 V CB 2.315 34.095 31.823 -0.072 0.000 1.110 864 V HN 0.835 nan 8.190 nan 0.000 0.450 865 T N 0.678 115.162 114.554 -0.117 0.000 2.925 865 T HA 0.805 5.138 4.350 -0.030 0.000 0.285 865 T C -0.704 173.989 174.700 -0.012 0.000 1.021 865 T CA -0.529 61.544 62.100 -0.045 0.000 1.042 865 T CB 1.851 70.688 68.868 -0.053 0.000 1.037 865 T HN 0.482 nan 8.240 nan 0.000 0.481 866 V N 1.372 121.333 119.914 0.080 0.000 3.120 866 V HA 0.517 4.619 4.120 -0.030 0.000 0.303 866 V C -0.516 175.663 176.094 0.142 0.000 1.238 866 V CA -1.095 61.297 62.300 0.154 0.000 1.008 866 V CB 2.549 34.512 31.823 0.232 0.000 1.064 866 V HN 0.831 nan 8.190 nan 0.000 0.434 867 R N 2.079 122.662 120.500 0.139 0.000 2.937 867 R HA 0.315 4.637 4.340 -0.030 0.000 0.264 867 R C -1.057 175.314 176.300 0.118 0.000 1.334 867 R CA -0.210 55.954 56.100 0.108 0.000 1.516 867 R CB 0.077 30.422 30.300 0.074 0.000 1.187 867 R HN 0.728 nan 8.270 nan 0.000 0.609 868 Y N 1.906 122.213 120.300 0.013 0.000 2.262 868 Y HA 0.130 4.657 4.550 -0.038 0.000 0.368 868 Y C 0.822 176.683 175.900 -0.064 0.000 1.352 868 Y CA 0.033 58.121 58.100 -0.019 0.000 1.760 868 Y CB 0.556 38.988 38.460 -0.046 0.000 1.627 868 Y HN 0.348 nan 8.280 nan 0.000 0.606 869 M N 1.833 121.647 119.600 0.358 0.000 2.408 869 M HA 0.052 4.514 4.480 -0.030 0.000 0.363 869 M C 1.219 177.538 176.300 0.031 0.000 1.636 869 M CA 1.502 56.885 55.300 0.138 0.000 1.029 869 M CB -0.649 32.043 32.600 0.154 0.000 2.068 869 M HN 0.898 nan 8.290 nan 0.000 0.466 870 G N 2.298 111.103 108.800 0.009 0.000 2.284 870 G HA2 -0.319 3.623 3.960 -0.030 0.000 0.268 870 G HA3 -0.319 3.623 3.960 -0.030 0.000 0.268 870 G C 0.178 175.064 174.900 -0.024 0.000 0.980 870 G CA 0.934 46.024 45.100 -0.017 0.000 0.631 870 G HN 0.550 nan 8.290 nan 0.000 0.548 871 K N -0.424 119.964 120.400 -0.019 0.000 2.328 871 K HA 0.694 4.997 4.320 -0.030 0.000 0.246 871 K C 0.145 176.759 176.600 0.024 0.000 0.955 871 K CA -0.855 55.419 56.287 -0.022 0.000 0.817 871 K CB 0.971 33.422 32.500 -0.082 0.000 1.208 871 K HN 0.085 nan 8.250 nan 0.000 0.432 872 R N 3.026 123.539 120.500 0.021 0.000 2.522 872 R HA 0.299 4.621 4.340 -0.030 0.000 0.290 872 R C -0.821 175.504 176.300 0.042 0.000 1.216 872 R CA -0.412 55.711 56.100 0.038 0.000 1.250 872 R CB 0.049 30.366 30.300 0.028 0.000 1.143 872 R HN 0.356 nan 8.270 nan 0.000 0.553 873 L N 2.910 124.172 121.223 0.066 0.000 2.255 873 L HA 0.207 4.529 4.340 -0.030 0.000 0.289 873 L C 0.323 177.245 176.870 0.086 0.000 1.046 873 L CA -0.199 54.688 54.840 0.078 0.000 0.816 873 L CB 1.219 43.343 42.059 0.109 0.000 1.197 873 L HN 0.332 nan 8.230 nan 0.000 0.427 874 E N 3.139 123.377 120.200 0.063 0.000 1.775 874 E HA 0.143 4.475 4.350 -0.030 0.000 0.266 874 E C -0.642 175.994 176.600 0.061 0.000 1.191 874 E CA -0.035 56.395 56.400 0.051 0.000 1.048 874 E CB 0.074 29.796 29.700 0.036 0.000 1.081 874 E HN 0.465 nan 8.360 nan 0.000 0.434 875 T N 0.723 115.327 114.554 0.082 0.000 2.912 875 T HA 0.203 4.536 4.350 -0.030 0.000 0.299 875 T C -0.046 174.703 174.700 0.082 0.000 1.052 875 T CA -0.935 61.213 62.100 0.080 0.000 0.996 875 T CB 1.663 70.600 68.868 0.113 0.000 1.070 875 T HN 0.389 nan 8.240 nan 0.000 0.465 876 S N 3.114 118.843 115.700 0.048 0.000 2.559 876 S HA 0.092 4.544 4.470 -0.030 0.000 0.282 876 S C -1.562 173.073 174.600 0.058 0.000 1.336 876 S CA -0.488 57.736 58.200 0.040 0.000 1.037 876 S CB 0.326 63.522 63.200 -0.007 0.000 0.853 876 S HN 0.343 nan 8.310 nan 0.000 0.523 877 P HA -0.074 nan 4.420 nan 0.000 0.213 877 P C 1.799 179.102 177.300 0.005 0.000 1.176 877 P CA 2.025 65.159 63.100 0.055 0.000 0.919 877 P CB -0.706 31.010 31.700 0.027 0.000 0.791 878 G N 0.356 109.123 108.800 -0.055 0.000 2.599 878 G HA2 -0.324 3.619 3.960 -0.030 0.000 0.219 878 G HA3 -0.324 3.619 3.960 -0.030 0.000 0.219 878 G C 1.589 176.470 174.900 -0.031 0.000 1.193 878 G CA 1.112 46.149 45.100 -0.105 0.000 0.778 878 G HN 0.195 nan 8.290 nan 0.000 0.589 879 R N -0.209 120.275 120.500 -0.028 0.000 2.117 879 R HA -0.065 4.258 4.340 -0.030 0.000 0.243 879 R C 2.374 178.718 176.300 0.073 0.000 1.143 879 R CA 0.932 57.024 56.100 -0.012 0.000 0.968 879 R CB -0.733 29.541 30.300 -0.043 0.000 0.863 879 R HN 0.345 nan 8.270 nan 0.000 0.444 880 I N 1.018 121.650 120.570 0.103 0.000 2.353 880 I HA -0.183 3.970 4.170 -0.030 0.000 0.248 880 I C 2.178 178.384 176.117 0.150 0.000 1.119 880 I CA 0.742 62.150 61.300 0.180 0.000 1.417 880 I CB -0.625 37.493 38.000 0.197 0.000 1.078 880 I HN 0.076 nan 8.210 nan 0.000 0.421 881 L N 0.160 121.429 121.223 0.077 0.000 2.027 881 L HA -0.195 4.127 4.340 -0.030 0.000 0.206 881 L C 2.386 179.262 176.870 0.009 0.000 1.074 881 L CA 1.767 56.619 54.840 0.021 0.000 0.745 881 L CB -1.201 40.831 42.059 -0.044 0.000 0.898 881 L HN 0.167 nan 8.230 nan 0.000 0.433 882 F N 0.394 120.297 119.950 -0.079 0.000 2.091 882 F HA -0.290 4.212 4.527 -0.042 0.000 0.299 882 F C 2.359 178.110 175.800 -0.082 0.000 1.103 882 F CA 1.930 59.883 58.000 -0.078 0.000 1.228 882 F CB -0.478 38.477 39.000 -0.076 0.000 0.984 882 F HN 0.194 nan 8.300 nan 0.000 0.477 883 A N 0.343 123.281 122.820 0.198 0.000 1.917 883 A HA -0.270 4.032 4.320 -0.030 0.000 0.219 883 A C 2.389 180.025 177.584 0.086 0.000 1.182 883 A CA 1.977 54.077 52.037 0.106 0.000 0.633 883 A CB -0.890 18.197 19.000 0.146 0.000 0.819 883 A HN 0.484 nan 8.150 nan 0.000 0.448 884 R N -0.392 120.147 120.500 0.066 0.000 2.062 884 R HA -0.052 4.271 4.340 -0.030 0.000 0.231 884 R C 2.076 178.311 176.300 -0.108 0.000 1.136 884 R CA 1.560 57.674 56.100 0.024 0.000 0.948 884 R CB -0.460 29.846 30.300 0.009 0.000 0.845 884 R HN 0.539 nan 8.270 nan 0.000 0.430 885 I N 0.845 121.238 120.570 -0.295 0.000 2.143 885 I HA -0.371 3.781 4.170 -0.030 0.000 0.245 885 I C 2.291 178.238 176.117 -0.284 0.000 1.068 885 I CA 1.678 62.696 61.300 -0.471 0.000 1.326 885 I CB -0.249 37.230 38.000 -0.869 0.000 1.028 885 I HN 0.089 nan 8.210 nan 0.000 0.412 886 V N 0.611 120.353 119.914 -0.287 0.000 2.323 886 V HA -0.193 3.910 4.120 -0.030 0.000 0.244 886 V C 2.677 178.753 176.094 -0.029 0.000 1.041 886 V CA 1.664 63.879 62.300 -0.141 0.000 1.025 886 V CB -1.127 30.642 31.823 -0.091 0.000 0.656 886 V HN 0.497 nan 8.190 nan 0.000 0.451 887 A N -0.299 122.527 122.820 0.011 0.000 1.986 887 A HA -0.299 4.004 4.320 -0.030 0.000 0.220 887 A C 2.194 179.811 177.584 0.054 0.000 1.171 887 A CA 2.366 54.450 52.037 0.079 0.000 0.640 887 A CB -0.421 18.670 19.000 0.152 0.000 0.811 887 A HN 0.627 nan 8.150 nan 0.000 0.451 888 E N -0.957 119.255 120.200 0.020 0.000 2.075 888 E HA 0.186 4.518 4.350 -0.030 0.000 0.190 888 E C 2.298 178.920 176.600 0.036 0.000 0.969 888 E CA 0.666 57.084 56.400 0.030 0.000 0.815 888 E CB -0.234 29.480 29.700 0.024 0.000 0.776 888 E HN 0.523 nan 8.360 nan 0.000 0.457 889 A N 0.707 123.541 122.820 0.024 0.000 1.927 889 A HA -0.156 4.146 4.320 -0.030 0.000 0.220 889 A C 1.022 178.627 177.584 0.035 0.000 1.185 889 A CA 1.650 53.709 52.037 0.036 0.000 0.639 889 A CB -0.562 18.449 19.000 0.019 0.000 0.820 889 A HN 0.171 nan 8.150 nan 0.000 0.451 890 V N -2.665 117.269 119.914 0.035 0.000 2.376 890 V HA 0.551 4.653 4.120 -0.030 0.000 0.287 890 V C 0.316 176.439 176.094 0.049 0.000 1.015 890 V CA -0.169 62.156 62.300 0.041 0.000 0.834 890 V CB 1.356 33.206 31.823 0.044 0.000 1.001 890 V HN 0.331 nan 8.190 nan 0.000 0.428 891 E N 2.322 122.550 120.200 0.047 0.000 2.409 891 E HA -0.105 4.227 4.350 -0.030 0.000 0.198 891 E C 0.578 177.214 176.600 0.060 0.000 1.024 891 E CA 0.711 57.142 56.400 0.051 0.000 0.861 891 E CB -0.110 29.616 29.700 0.043 0.000 0.788 891 E HN 0.869 nan 8.360 nan 0.000 0.521 892 D N 0.726 121.163 120.400 0.061 0.000 2.482 892 D HA -0.040 4.582 4.640 -0.030 0.000 0.244 892 D C 0.877 177.232 176.300 0.092 0.000 1.242 892 D CA 0.167 54.208 54.000 0.068 0.000 1.097 892 D CB 0.062 40.900 40.800 0.063 0.000 1.109 892 D HN 0.311 nan 8.370 nan 0.000 0.510 893 E N 2.288 122.551 120.200 0.104 0.000 2.086 893 E HA -0.304 4.029 4.350 -0.030 0.000 0.200 893 E C 1.213 177.926 176.600 0.188 0.000 1.012 893 E CA 1.261 57.752 56.400 0.152 0.000 0.812 893 E CB 0.266 30.059 29.700 0.156 0.000 0.743 893 E HN 0.270 nan 8.360 nan 0.000 0.453 894 K N -0.033 120.455 120.400 0.147 0.000 2.148 894 K HA -0.075 4.227 4.320 -0.030 0.000 0.204 894 K C 2.085 178.773 176.600 0.148 0.000 1.050 894 K CA 1.188 57.559 56.287 0.141 0.000 0.942 894 K CB 0.120 32.670 32.500 0.082 0.000 0.724 894 K HN 0.147 nan 8.250 nan 0.000 0.446 895 V N 0.946 120.931 119.914 0.119 0.000 3.141 895 V HA -0.108 3.994 4.120 -0.030 0.000 0.265 895 V C 2.087 178.252 176.094 0.118 0.000 1.126 895 V CA 1.461 63.824 62.300 0.105 0.000 1.141 895 V CB -0.383 31.489 31.823 0.081 0.000 0.743 895 V HN 0.257 nan 8.190 nan 0.000 0.492 896 A N -1.499 121.407 122.820 0.144 0.000 2.021 896 A HA -0.090 4.213 4.320 -0.030 0.000 0.216 896 A C 1.875 179.545 177.584 0.143 0.000 1.163 896 A CA 0.648 52.763 52.037 0.130 0.000 0.676 896 A CB -0.462 18.617 19.000 0.131 0.000 0.818 896 A HN 0.638 nan 8.150 nan 0.000 0.453 897 W N 0.633 121.943 121.300 0.017 0.000 2.576 897 W HA 0.084 4.723 4.660 -0.035 0.000 0.275 897 W C 1.975 178.480 176.519 -0.024 0.000 1.241 897 W CA 1.061 58.392 57.345 -0.024 0.000 1.328 897 W CB 0.305 29.713 29.460 -0.088 0.000 1.092 897 W HN 0.416 nan 8.180 nan 0.000 0.586 898 E N 0.074 120.429 120.200 0.258 0.000 2.150 898 E HA -0.186 4.146 4.350 -0.030 0.000 0.193 898 E C 1.719 178.369 176.600 0.082 0.000 0.985 898 E CA 1.137 57.634 56.400 0.162 0.000 0.814 898 E CB -0.360 29.405 29.700 0.108 0.000 0.752 898 E HN 0.188 nan 8.360 nan 0.000 0.466 899 L N -0.440 120.816 121.223 0.055 0.000 2.728 899 L HA 0.360 4.682 4.340 -0.030 0.000 0.238 899 L C 0.507 177.366 176.870 -0.020 0.000 1.143 899 L CA 0.118 54.967 54.840 0.015 0.000 0.937 899 L CB -0.984 41.092 42.059 0.029 0.000 1.225 899 L HN -0.063 nan 8.230 nan 0.000 0.507 900 I N -0.747 119.780 120.570 -0.072 0.000 2.530 900 I HA 0.551 4.703 4.170 -0.030 0.000 0.297 900 I C -0.846 175.114 176.117 -0.262 0.000 1.011 900 I CA -0.702 60.508 61.300 -0.150 0.000 1.107 900 I CB 1.920 39.815 38.000 -0.176 0.000 1.285 900 I HN 0.078 nan 8.210 nan 0.000 0.436 901 Q N 6.477 126.136 119.800 -0.234 0.000 2.431 901 Q HA 0.375 4.697 4.340 -0.030 0.000 0.249 901 Q C -0.011 175.802 176.000 -0.312 0.000 1.025 901 Q CA -0.569 55.089 55.803 -0.243 0.000 0.835 901 Q CB 1.563 30.209 28.738 -0.153 0.000 1.207 901 Q HN 0.803 nan 8.270 nan 0.000 0.490 902 L N -1.532 119.445 121.223 -0.409 0.000 2.653 902 L HA 0.207 4.529 4.340 -0.030 0.000 0.232 902 L C 0.155 176.900 176.870 -0.209 0.000 1.169 902 L CA -0.032 54.599 54.840 -0.348 0.000 0.951 902 L CB -0.068 41.752 42.059 -0.399 0.000 1.181 902 L HN 0.275 nan 8.230 nan 0.000 0.460 903 D N 0.858 121.156 120.400 -0.169 0.000 2.336 903 D HA 0.136 4.758 4.640 -0.030 0.000 0.229 903 D C 0.522 176.762 176.300 -0.101 0.000 1.061 903 D CA 0.540 54.482 54.000 -0.097 0.000 0.875 903 D CB 0.447 41.208 40.800 -0.065 0.000 0.904 903 D HN 0.380 nan 8.370 nan 0.000 0.525 904 V N -2.579 117.250 119.914 -0.142 0.000 3.258 904 V HA 0.368 4.470 4.120 -0.030 0.000 0.299 904 V C -2.927 173.060 176.094 -0.178 0.000 1.376 904 V CA -2.324 59.899 62.300 -0.128 0.000 1.063 904 V CB 1.654 33.421 31.823 -0.094 0.000 1.103 904 V HN -0.349 nan 8.190 nan 0.000 0.451 905 P HA 0.253 nan 4.420 nan 0.000 0.271 905 P C -0.949 176.282 177.300 -0.116 0.000 1.218 905 P CA -0.073 62.882 63.100 -0.241 0.000 0.780 905 P CB 0.317 31.834 31.700 -0.306 0.000 0.901 906 Q N 2.414 122.125 119.800 -0.148 0.000 2.323 906 Q HA 0.119 4.442 4.340 -0.030 0.000 0.257 906 Q C 0.194 176.264 176.000 0.117 0.000 1.022 906 Q CA 0.407 56.143 55.803 -0.112 0.000 0.919 906 Q CB 0.691 29.225 28.738 -0.340 0.000 1.220 906 Q HN 0.491 nan 8.270 nan 0.000 0.427 907 E N 1.622 121.870 120.200 0.080 0.000 2.330 907 E HA 0.052 4.384 4.350 -0.030 0.000 0.256 907 E C 0.823 177.456 176.600 0.056 0.000 1.146 907 E CA -0.267 56.181 56.400 0.081 0.000 0.945 907 E CB 0.822 30.547 29.700 0.041 0.000 1.182 907 E HN 0.470 nan 8.360 nan 0.000 0.480 908 K N 0.865 121.289 120.400 0.039 0.000 2.365 908 K HA -0.065 4.237 4.320 -0.030 0.000 0.199 908 K C 1.035 177.665 176.600 0.051 0.000 1.045 908 K CA 1.085 57.402 56.287 0.050 0.000 0.962 908 K CB 0.083 32.607 32.500 0.039 0.000 0.759 908 K HN 0.263 nan 8.250 nan 0.000 0.469 909 N N 0.887 119.609 118.700 0.036 0.000 2.207 909 N HA -0.040 4.682 4.740 -0.030 0.000 0.182 909 N C 1.611 177.144 175.510 0.038 0.000 1.020 909 N CA 1.346 54.419 53.050 0.038 0.000 0.858 909 N CB -0.023 38.477 38.487 0.023 0.000 0.991 909 N HN 0.225 nan 8.380 nan 0.000 0.427 910 S N 1.338 117.049 115.700 0.018 0.000 2.382 910 S HA -0.041 4.411 4.470 -0.030 0.000 0.228 910 S C 2.041 176.657 174.600 0.025 0.000 1.027 910 S CA 0.676 58.874 58.200 -0.004 0.000 0.991 910 S CB -0.134 63.035 63.200 -0.052 0.000 0.823 910 S HN 0.104 nan 8.310 nan 0.000 0.469 911 L N 1.687 122.942 121.223 0.054 0.000 2.007 911 L HA 0.021 4.343 4.340 -0.030 0.000 0.205 911 L C 2.391 179.329 176.870 0.114 0.000 1.073 911 L CA 1.651 56.554 54.840 0.106 0.000 0.744 911 L CB -0.647 41.487 42.059 0.126 0.000 0.898 911 L HN 0.180 nan 8.230 nan 0.000 0.435 912 K N -0.398 120.064 120.400 0.104 0.000 2.059 912 K HA -0.253 4.049 4.320 -0.030 0.000 0.212 912 K C 1.770 178.463 176.600 0.155 0.000 1.050 912 K CA 2.071 58.431 56.287 0.122 0.000 0.927 912 K CB -0.152 32.411 32.500 0.105 0.000 0.714 912 K HN 0.254 nan 8.250 nan 0.000 0.447 913 D N 0.646 121.120 120.400 0.124 0.000 2.144 913 D HA -0.170 4.452 4.640 -0.030 0.000 0.199 913 D C 1.888 178.255 176.300 0.111 0.000 0.984 913 D CA 0.806 54.878 54.000 0.120 0.000 0.834 913 D CB -0.146 40.689 40.800 0.058 0.000 0.955 913 D HN 0.241 nan 8.370 nan 0.000 0.465 914 L N 0.324 121.608 121.223 0.101 0.000 2.042 914 L HA -0.200 4.122 4.340 -0.030 0.000 0.210 914 L C 2.259 179.216 176.870 0.144 0.000 1.076 914 L CA 0.955 55.860 54.840 0.107 0.000 0.749 914 L CB -0.039 42.099 42.059 0.132 0.000 0.893 914 L HN -0.062 nan 8.230 nan 0.000 0.432 915 V N -0.962 119.058 119.914 0.176 0.000 2.270 915 V HA -0.377 3.726 4.120 -0.030 0.000 0.245 915 V C 2.089 178.378 176.094 0.326 0.000 1.043 915 V CA 2.165 64.594 62.300 0.214 0.000 1.014 915 V CB -0.827 31.113 31.823 0.195 0.000 0.645 915 V HN 0.526 nan 8.190 nan 0.000 0.447 916 Y N 0.321 120.715 120.300 0.157 0.000 2.114 916 Y HA -0.412 4.120 4.550 -0.030 0.000 0.282 916 Y C 2.870 178.862 175.900 0.154 0.000 1.165 916 Y CA 1.983 60.176 58.100 0.155 0.000 1.148 916 Y CB 0.096 38.614 38.460 0.096 0.000 0.972 916 Y HN 0.267 nan 8.280 nan 0.000 0.504 917 Q N 0.557 120.420 119.800 0.106 0.000 1.975 917 Q HA -0.224 4.098 4.340 -0.030 0.000 0.205 917 Q C 2.511 178.596 176.000 0.142 0.000 0.990 917 Q CA 2.230 58.034 55.803 0.001 0.000 0.845 917 Q CB -0.875 27.857 28.738 -0.011 0.000 0.913 917 Q HN 0.589 nan 8.270 nan 0.000 0.420 918 A N -0.019 122.901 122.820 0.166 0.000 1.940 918 A HA -0.286 4.017 4.320 -0.030 0.000 0.221 918 A C 2.055 179.785 177.584 0.244 0.000 1.190 918 A CA 1.941 54.078 52.037 0.167 0.000 0.647 918 A CB -1.259 17.825 19.000 0.140 0.000 0.821 918 A HN 0.569 nan 8.150 nan 0.000 0.457 919 F N -0.463 119.568 119.950 0.135 0.000 2.010 919 F HA -0.205 4.304 4.527 -0.031 0.000 0.296 919 F C 2.096 177.976 175.800 0.133 0.000 1.146 919 F CA 1.535 59.619 58.000 0.140 0.000 1.181 919 F CB -0.191 38.925 39.000 0.194 0.000 0.965 919 F HN 0.207 nan 8.300 nan 0.000 0.480 920 L N 0.971 122.496 121.223 0.504 0.000 1.971 920 L HA -0.266 4.056 4.340 -0.030 0.000 0.215 920 L C 2.534 179.535 176.870 0.217 0.000 1.072 920 L CA 1.646 56.657 54.840 0.286 0.000 0.758 920 L CB -1.226 40.931 42.059 0.164 0.000 0.889 920 L HN 0.094 nan 8.230 nan 0.000 0.433 921 R N -0.469 120.129 120.500 0.163 0.000 2.127 921 R HA -0.171 4.152 4.340 -0.030 0.000 0.228 921 R C 2.086 178.452 176.300 0.111 0.000 1.125 921 R CA 2.013 58.181 56.100 0.113 0.000 0.904 921 R CB -1.226 29.127 30.300 0.088 0.000 0.831 921 R HN 0.325 nan 8.270 nan 0.000 0.431 922 L N -1.367 119.924 121.223 0.113 0.000 1.972 922 L HA 0.191 4.513 4.340 -0.030 0.000 0.209 922 L C 1.473 178.387 176.870 0.074 0.000 1.125 922 L CA 1.109 55.998 54.840 0.081 0.000 0.784 922 L CB -0.637 41.461 42.059 0.066 0.000 0.902 922 L HN 0.348 nan 8.230 nan 0.000 0.444 923 G N -2.448 106.384 108.800 0.054 0.000 2.576 923 G HA2 0.314 4.256 3.960 -0.030 0.000 0.290 923 G HA3 0.314 4.256 3.960 -0.030 0.000 0.290 923 G C -0.297 174.549 174.900 -0.090 0.000 1.442 923 G CA -0.277 44.832 45.100 0.015 0.000 0.792 923 G HN 0.097 nan 8.290 nan 0.000 0.491 924 M N 0.189 119.684 119.600 -0.175 0.000 2.091 924 M HA -0.061 4.401 4.480 -0.030 0.000 0.259 924 M C 2.563 178.699 176.300 -0.273 0.000 1.076 924 M CA 2.610 57.663 55.300 -0.411 0.000 1.111 924 M CB -0.416 31.995 32.600 -0.315 0.000 1.291 924 M HN 0.792 nan 8.290 nan 0.000 0.417 925 E N 0.009 120.121 120.200 -0.146 0.000 2.085 925 E HA -0.293 4.039 4.350 -0.030 0.000 0.194 925 E C 1.967 178.517 176.600 -0.084 0.000 0.994 925 E CA 1.557 57.893 56.400 -0.107 0.000 0.801 925 E CB -0.638 29.026 29.700 -0.060 0.000 0.743 925 E HN 0.555 nan 8.360 nan 0.000 0.453 926 K N 0.553 120.916 120.400 -0.061 0.000 2.209 926 K HA -0.097 4.205 4.320 -0.030 0.000 0.204 926 K C 2.064 178.644 176.600 -0.032 0.000 1.048 926 K CA 1.590 57.859 56.287 -0.029 0.000 0.940 926 K CB -0.009 32.488 32.500 -0.005 0.000 0.729 926 K HN 0.099 nan 8.250 nan 0.000 0.451 927 T N 0.335 114.845 114.554 -0.073 0.000 2.777 927 T HA -0.109 4.223 4.350 -0.030 0.000 0.266 927 T C 1.812 176.478 174.700 -0.057 0.000 1.040 927 T CA 1.178 63.242 62.100 -0.060 0.000 1.141 927 T CB -0.226 68.559 68.868 -0.139 0.000 0.868 927 T HN 0.344 nan 8.240 nan 0.000 0.444 928 A N 1.897 124.659 122.820 -0.097 0.000 1.940 928 A HA -0.167 4.135 4.320 -0.030 0.000 0.219 928 A C 2.390 179.955 177.584 -0.032 0.000 1.176 928 A CA 1.462 53.450 52.037 -0.083 0.000 0.631 928 A CB -0.509 18.418 19.000 -0.123 0.000 0.814 928 A HN 0.380 nan 8.150 nan 0.000 0.446 929 R N -1.311 119.179 120.500 -0.017 0.000 2.073 929 R HA -0.122 4.201 4.340 -0.030 0.000 0.234 929 R C 2.164 178.482 176.300 0.029 0.000 1.134 929 R CA 1.501 57.610 56.100 0.015 0.000 0.952 929 R CB -0.640 29.671 30.300 0.018 0.000 0.850 929 R HN 0.516 nan 8.270 nan 0.000 0.433 930 L N 1.380 122.616 121.223 0.022 0.000 2.079 930 L HA -0.165 4.157 4.340 -0.030 0.000 0.210 930 L C 1.939 178.830 176.870 0.035 0.000 1.081 930 L CA 1.569 56.426 54.840 0.028 0.000 0.752 930 L CB -0.419 41.658 42.059 0.030 0.000 0.896 930 L HN 0.111 nan 8.230 nan 0.000 0.433 931 L N -0.540 120.700 121.223 0.029 0.000 2.012 931 L HA -0.238 4.085 4.340 -0.030 0.000 0.210 931 L C 2.225 179.122 176.870 0.045 0.000 1.073 931 L CA 1.844 56.703 54.840 0.031 0.000 0.748 931 L CB -0.668 41.394 42.059 0.005 0.000 0.891 931 L HN 0.255 nan 8.230 nan 0.000 0.431 932 D N -0.877 119.560 120.400 0.061 0.000 2.224 932 D HA -0.070 4.552 4.640 -0.030 0.000 0.205 932 D C 2.165 178.523 176.300 0.097 0.000 0.965 932 D CA 1.016 55.075 54.000 0.099 0.000 0.852 932 D CB 0.022 40.896 40.800 0.124 0.000 0.947 932 D HN 0.292 nan 8.370 nan 0.000 0.494 933 A N 0.373 123.250 122.820 0.096 0.000 1.873 933 A HA -0.207 4.095 4.320 -0.030 0.000 0.218 933 A C 2.260 179.938 177.584 0.157 0.000 1.193 933 A CA 1.320 53.442 52.037 0.142 0.000 0.629 933 A CB -0.919 18.146 19.000 0.109 0.000 0.826 933 A HN 0.267 nan 8.150 nan 0.000 0.447 934 L N -0.447 120.816 121.223 0.067 0.000 1.976 934 L HA -0.224 4.098 4.340 -0.030 0.000 0.209 934 L C 2.638 179.487 176.870 -0.035 0.000 1.071 934 L CA 2.034 56.894 54.840 0.033 0.000 0.746 934 L CB -0.551 41.533 42.059 0.042 0.000 0.890 934 L HN 0.470 nan 8.230 nan 0.000 0.432 935 K N -0.279 120.071 120.400 -0.084 0.000 2.107 935 K HA -0.294 4.008 4.320 -0.030 0.000 0.211 935 K C 2.174 178.555 176.600 -0.365 0.000 1.049 935 K CA 2.087 58.183 56.287 -0.318 0.000 0.927 935 K CB -0.379 32.059 32.500 -0.104 0.000 0.714 935 K HN 0.437 nan 8.250 nan 0.000 0.452 936 Y N -0.332 119.825 120.300 -0.239 0.000 2.117 936 Y HA -0.296 4.241 4.550 -0.022 0.000 0.277 936 Y C 2.127 177.827 175.900 -0.334 0.000 1.104 936 Y CA 1.484 59.442 58.100 -0.237 0.000 1.089 936 Y CB -0.439 37.808 38.460 -0.355 0.000 0.999 936 Y HN 0.025 nan 8.280 nan 0.000 0.480 937 Y N 0.692 120.728 120.300 -0.441 0.000 2.193 937 Y HA -0.259 4.276 4.550 -0.026 0.000 0.285 937 Y C 2.678 178.171 175.900 -0.679 0.000 1.166 937 Y CA 1.190 58.730 58.100 -0.932 0.000 1.181 937 Y CB -1.067 36.799 38.460 -0.990 0.000 0.976 937 Y HN 0.304 nan 8.280 nan 0.000 0.520 938 G N -0.563 108.161 108.800 -0.126 0.000 2.446 938 G HA2 -0.259 3.683 3.960 -0.030 0.000 0.217 938 G HA3 -0.259 3.683 3.960 -0.030 0.000 0.217 938 G C 1.593 176.553 174.900 0.100 0.000 1.168 938 G CA 0.985 46.092 45.100 0.012 0.000 0.771 938 G HN 0.439 nan 8.290 nan 0.000 0.551 939 F N 1.575 121.558 119.950 0.056 0.000 2.102 939 F HA -0.141 4.367 4.527 -0.031 0.000 0.298 939 F C 3.235 179.060 175.800 0.042 0.000 1.105 939 F CA 1.294 59.325 58.000 0.053 0.000 1.239 939 F CB -0.373 38.649 39.000 0.038 0.000 0.991 939 F HN 0.169 nan 8.300 nan 0.000 0.474 940 T N -0.460 114.207 114.554 0.188 0.000 2.564 940 T HA -0.230 4.102 4.350 -0.030 0.000 0.259 940 T C 1.681 176.482 174.700 0.168 0.000 1.087 940 T CA 1.359 63.515 62.100 0.093 0.000 1.184 940 T CB -1.350 67.466 68.868 -0.086 0.000 0.864 940 T HN 0.192 nan 8.240 nan 0.000 0.403 941 F N 1.884 121.939 119.950 0.173 0.000 2.176 941 F HA -0.219 4.323 4.527 0.025 0.000 0.301 941 F C 3.180 179.072 175.800 0.153 0.000 1.071 941 F CA 0.837 58.937 58.000 0.166 0.000 1.289 941 F CB -0.598 38.521 39.000 0.199 0.000 1.028 941 F HN 0.261 nan 8.300 nan 0.000 0.494 942 S N 0.244 116.154 115.700 0.350 0.000 2.351 942 S HA -0.259 4.194 4.470 -0.030 0.000 0.220 942 S C 2.321 177.010 174.600 0.147 0.000 1.035 942 S CA 2.351 60.696 58.200 0.242 0.000 1.031 942 S CB -0.818 62.533 63.200 0.252 0.000 0.928 942 S HN 0.542 nan 8.310 nan 0.000 0.433 943 T N -0.139 114.497 114.554 0.137 0.000 2.788 943 T HA -0.136 4.197 4.350 -0.030 0.000 0.268 943 T C 2.064 176.802 174.700 0.063 0.000 1.044 943 T CA 2.348 64.495 62.100 0.077 0.000 1.139 943 T CB -1.622 67.283 68.868 0.062 0.000 0.867 943 T HN 0.680 nan 8.240 nan 0.000 0.454 944 T N 1.044 115.659 114.554 0.101 0.000 2.812 944 T HA -0.125 4.207 4.350 -0.030 0.000 0.264 944 T C 2.380 177.101 174.700 0.034 0.000 1.042 944 T CA 1.739 63.887 62.100 0.081 0.000 1.140 944 T CB -1.212 67.733 68.868 0.129 0.000 0.870 944 T HN 0.640 nan 8.240 nan 0.000 0.445 945 S N 1.932 117.645 115.700 0.023 0.000 2.423 945 S HA 0.042 4.494 4.470 -0.030 0.000 0.238 945 S C 1.887 176.347 174.600 -0.234 0.000 1.028 945 S CA 0.955 59.050 58.200 -0.175 0.000 1.000 945 S CB -1.806 61.185 63.200 -0.350 0.000 0.797 945 S HN 1.710 nan 8.310 nan 0.000 0.487 946 G N 1.516 110.249 108.800 -0.111 0.000 2.370 946 G HA2 -0.204 3.739 3.960 -0.030 0.000 0.293 946 G HA3 -0.204 3.739 3.960 -0.030 0.000 0.293 946 G C -0.211 174.620 174.900 -0.117 0.000 0.992 946 G CA 0.244 45.294 45.100 -0.084 0.000 1.247 946 G HN 1.275 nan 8.290 nan 0.000 0.505 947 I N -0.168 120.330 120.570 -0.119 0.000 2.331 947 I HA 0.871 5.023 4.170 -0.030 0.000 0.292 947 I C 0.450 176.551 176.117 -0.027 0.000 0.998 947 I CA -0.176 61.072 61.300 -0.087 0.000 1.267 947 I CB 1.646 39.596 38.000 -0.084 0.000 1.386 947 I HN 0.399 nan 8.210 nan 0.000 0.476 948 T N 3.031 117.580 114.554 -0.009 0.000 2.778 948 T HA 0.715 5.048 4.350 -0.030 0.000 0.293 948 T C -0.534 174.177 174.700 0.017 0.000 1.144 948 T CA -0.851 61.251 62.100 0.004 0.000 1.010 948 T CB 1.444 70.310 68.868 -0.003 0.000 1.325 948 T HN 0.528 nan 8.240 nan 0.000 0.515 949 I N 1.195 121.776 120.570 0.018 0.000 2.411 949 I HA 0.582 4.734 4.170 -0.030 0.000 0.284 949 I C 0.659 176.789 176.117 0.021 0.000 1.012 949 I CA -0.719 60.597 61.300 0.027 0.000 1.119 949 I CB 1.424 39.442 38.000 0.030 0.000 1.261 949 I HN 0.998 nan 8.210 nan 0.000 0.448 950 G N 4.902 113.716 108.800 0.023 0.000 2.601 950 G HA2 0.392 4.334 3.960 -0.030 0.000 0.317 950 G HA3 0.392 4.334 3.960 -0.030 0.000 0.317 950 G C 0.607 175.522 174.900 0.025 0.000 1.246 950 G CA -0.419 44.691 45.100 0.017 0.000 1.012 950 G HN 0.456 nan 8.290 nan 0.000 0.494 951 I N -0.293 120.290 120.570 0.021 0.000 2.716 951 I HA -0.004 4.148 4.170 -0.030 0.000 0.259 951 I C 1.249 177.383 176.117 0.029 0.000 1.172 951 I CA 0.858 62.176 61.300 0.030 0.000 1.478 951 I CB -0.169 37.847 38.000 0.026 0.000 1.104 951 I HN 0.312 nan 8.210 nan 0.000 0.439 952 D N 0.877 121.284 120.400 0.013 0.000 2.371 952 D HA -0.086 4.536 4.640 -0.030 0.000 0.234 952 D C 1.480 177.779 176.300 -0.002 0.000 1.049 952 D CA 0.451 54.449 54.000 -0.003 0.000 0.907 952 D CB 0.117 40.902 40.800 -0.026 0.000 0.891 952 D HN 0.423 nan 8.370 nan 0.000 0.531 953 D N 0.447 120.868 120.400 0.036 0.000 2.202 953 D HA -0.006 4.616 4.640 -0.030 0.000 0.214 953 D C 0.909 177.299 176.300 0.151 0.000 0.967 953 D CA 0.354 54.400 54.000 0.077 0.000 0.871 953 D CB 0.135 40.990 40.800 0.092 0.000 1.020 953 D HN 0.025 nan 8.370 nan 0.000 0.474 954 A N 2.398 125.306 122.820 0.148 0.000 2.489 954 A HA 0.278 4.581 4.320 -0.030 0.000 0.289 954 A C 0.326 177.998 177.584 0.146 0.000 1.216 954 A CA -0.092 52.069 52.037 0.206 0.000 0.883 954 A CB -0.257 18.838 19.000 0.159 0.000 1.110 954 A HN -0.027 nan 8.150 nan 0.000 0.523 955 V N 4.669 124.656 119.914 0.122 0.000 2.530 955 V HA 0.205 4.307 4.120 -0.030 0.000 0.282 955 V C 0.629 176.684 176.094 -0.066 0.000 1.048 955 V CA -0.295 61.985 62.300 -0.034 0.000 0.997 955 V CB 0.743 32.483 31.823 -0.138 0.000 0.987 955 V HN 0.671 nan 8.190 nan 0.000 0.477 956 I N 5.766 126.311 120.570 -0.041 0.000 2.428 956 I HA 0.324 4.476 4.170 -0.030 0.000 0.289 956 I C -2.018 174.042 176.117 -0.095 0.000 1.019 956 I CA -1.674 59.599 61.300 -0.045 0.000 1.351 956 I CB 1.812 39.801 38.000 -0.019 0.000 1.412 956 I HN 0.455 nan 8.210 nan 0.000 0.513 957 P HA 0.052 nan 4.420 nan 0.000 0.272 957 P C 0.179 177.397 177.300 -0.136 0.000 1.223 957 P CA -0.170 62.838 63.100 -0.153 0.000 0.784 957 P CB 0.777 32.378 31.700 -0.165 0.000 0.923 958 E N 1.419 121.535 120.200 -0.141 0.000 2.435 958 E HA -0.129 4.203 4.350 -0.030 0.000 0.195 958 E C 1.160 177.678 176.600 -0.137 0.000 1.029 958 E CA 0.852 57.187 56.400 -0.109 0.000 0.865 958 E CB -0.160 29.488 29.700 -0.086 0.000 0.833 958 E HN 0.425 nan 8.360 nan 0.000 0.510 959 E N 0.230 120.292 120.200 -0.230 0.000 2.435 959 E HA -0.115 4.217 4.350 -0.030 0.000 0.195 959 E C 1.662 177.981 176.600 -0.469 0.000 1.029 959 E CA 0.315 56.483 56.400 -0.386 0.000 0.865 959 E CB -0.150 29.173 29.700 -0.628 0.000 0.833 959 E HN 0.191 nan 8.360 nan 0.000 0.510 960 K N 2.611 122.839 120.400 -0.287 0.000 2.057 960 K HA -0.200 4.102 4.320 -0.030 0.000 0.207 960 K C 2.316 178.896 176.600 -0.033 0.000 1.049 960 K CA 1.897 58.093 56.287 -0.152 0.000 0.931 960 K CB -0.086 32.370 32.500 -0.073 0.000 0.714 960 K HN 0.136 nan 8.250 nan 0.000 0.440 961 K N 0.247 120.629 120.400 -0.030 0.000 2.147 961 K HA -0.200 4.102 4.320 -0.030 0.000 0.205 961 K C 1.892 178.526 176.600 0.056 0.000 1.049 961 K CA 1.520 57.819 56.287 0.020 0.000 0.936 961 K CB -0.103 32.401 32.500 0.006 0.000 0.722 961 K HN 0.265 nan 8.250 nan 0.000 0.446 962 Q N -0.095 119.737 119.800 0.054 0.000 1.969 962 Q HA -0.101 4.221 4.340 -0.030 0.000 0.198 962 Q C 1.983 178.132 176.000 0.248 0.000 0.978 962 Q CA 1.360 57.243 55.803 0.134 0.000 0.830 962 Q CB -0.280 28.557 28.738 0.166 0.000 0.896 962 Q HN 0.306 nan 8.270 nan 0.000 0.431 963 Y N 0.990 121.304 120.300 0.023 0.000 2.228 963 Y HA -0.233 4.299 4.550 -0.029 0.000 0.285 963 Y C 2.030 177.952 175.900 0.037 0.000 1.178 963 Y CA 0.787 58.901 58.100 0.023 0.000 1.202 963 Y CB -0.701 37.783 38.460 0.040 0.000 0.974 963 Y HN 0.122 nan 8.280 nan 0.000 0.527 964 L N -0.561 120.807 121.223 0.241 0.000 2.007 964 L HA -0.189 4.134 4.340 -0.030 0.000 0.205 964 L C 2.598 179.556 176.870 0.147 0.000 1.073 964 L CA 1.770 56.740 54.840 0.218 0.000 0.744 964 L CB -0.521 41.651 42.059 0.188 0.000 0.898 964 L HN 0.071 nan 8.230 nan 0.000 0.435 965 E N 0.677 120.945 120.200 0.112 0.000 2.038 965 E HA -0.273 4.059 4.350 -0.030 0.000 0.195 965 E C 1.937 178.556 176.600 0.032 0.000 1.000 965 E CA 1.764 58.208 56.400 0.073 0.000 0.803 965 E CB -0.192 29.545 29.700 0.062 0.000 0.750 965 E HN 0.355 nan 8.360 nan 0.000 0.448 966 E N -0.415 119.804 120.200 0.032 0.000 2.097 966 E HA -0.237 4.095 4.350 -0.030 0.000 0.196 966 E C 1.920 178.471 176.600 -0.082 0.000 1.000 966 E CA 1.315 57.705 56.400 -0.017 0.000 0.804 966 E CB -0.282 29.409 29.700 -0.015 0.000 0.740 966 E HN 0.449 nan 8.360 nan 0.000 0.454 967 A N 0.762 123.512 122.820 -0.117 0.000 2.067 967 A HA -0.148 4.154 4.320 -0.030 0.000 0.217 967 A C 1.756 179.147 177.584 -0.322 0.000 1.156 967 A CA 1.199 53.061 52.037 -0.291 0.000 0.683 967 A CB -0.087 18.661 19.000 -0.421 0.000 0.808 967 A HN 0.149 nan 8.150 nan 0.000 0.455 968 D N 0.721 121.047 120.400 -0.123 0.000 2.084 968 D HA -0.185 4.438 4.640 -0.030 0.000 0.196 968 D C 2.251 178.537 176.300 -0.024 0.000 0.985 968 D CA 1.627 55.621 54.000 -0.009 0.000 0.826 968 D CB -0.187 40.666 40.800 0.088 0.000 0.978 968 D HN 0.609 nan 8.370 nan 0.000 0.456 969 R N 0.556 121.040 120.500 -0.026 0.000 2.115 969 R HA -0.031 4.291 4.340 -0.030 0.000 0.230 969 R C 2.237 178.509 176.300 -0.045 0.000 1.111 969 R CA 1.233 57.321 56.100 -0.020 0.000 0.976 969 R CB -0.344 29.947 30.300 -0.014 0.000 0.870 969 R HN 0.026 nan 8.270 nan 0.000 0.445 970 K N 0.653 120.999 120.400 -0.090 0.000 2.211 970 K HA -0.097 4.205 4.320 -0.030 0.000 0.203 970 K C 1.889 178.424 176.600 -0.109 0.000 1.050 970 K CA 0.866 57.088 56.287 -0.109 0.000 0.945 970 K CB -0.037 32.367 32.500 -0.160 0.000 0.732 970 K HN 0.225 nan 8.250 nan 0.000 0.451 971 L N 1.559 122.709 121.223 -0.121 0.000 2.201 971 L HA -0.089 4.233 4.340 -0.030 0.000 0.212 971 L C 1.869 178.734 176.870 -0.007 0.000 1.105 971 L CA 1.217 56.013 54.840 -0.074 0.000 0.775 971 L CB -0.302 41.741 42.059 -0.026 0.000 0.913 971 L HN 0.259 nan 8.230 nan 0.000 0.440 972 L N -1.627 119.596 121.223 -0.000 0.000 2.217 972 L HA -0.149 4.173 4.340 -0.030 0.000 0.211 972 L C 2.213 179.098 176.870 0.024 0.000 1.107 972 L CA 1.120 55.974 54.840 0.022 0.000 0.783 972 L CB -0.307 41.766 42.059 0.023 0.000 0.919 972 L HN 0.375 nan 8.230 nan 0.000 0.442 973 Q N 0.533 120.335 119.800 0.003 0.000 2.046 973 Q HA -0.163 4.159 4.340 -0.030 0.000 0.200 973 Q C 2.296 178.313 176.000 0.029 0.000 0.975 973 Q CA 2.041 57.849 55.803 0.007 0.000 0.836 973 Q CB -0.222 28.503 28.738 -0.021 0.000 0.896 973 Q HN 0.605 nan 8.270 nan 0.000 0.428 974 I N 1.028 121.609 120.570 0.018 0.000 2.335 974 I HA -0.272 3.880 4.170 -0.030 0.000 0.251 974 I C 2.208 178.387 176.117 0.103 0.000 1.129 974 I CA 1.110 62.439 61.300 0.048 0.000 1.402 974 I CB -0.344 37.669 38.000 0.021 0.000 1.069 974 I HN 0.269 nan 8.210 nan 0.000 0.424 975 E N 0.602 120.852 120.200 0.083 0.000 2.028 975 E HA -0.227 4.105 4.350 -0.030 0.000 0.190 975 E C 2.219 178.921 176.600 0.171 0.000 0.984 975 E CA 1.148 57.612 56.400 0.108 0.000 0.800 975 E CB -0.152 29.587 29.700 0.064 0.000 0.758 975 E HN 0.544 nan 8.360 nan 0.000 0.448 976 Q N 0.462 120.338 119.800 0.126 0.000 2.181 976 Q HA -0.113 4.209 4.340 -0.030 0.000 0.205 976 Q C 1.969 178.076 176.000 0.177 0.000 0.980 976 Q CA 1.576 57.458 55.803 0.131 0.000 0.862 976 Q CB -0.169 28.622 28.738 0.090 0.000 0.905 976 Q HN 0.228 nan 8.270 nan 0.000 0.429 977 A N -0.603 122.324 122.820 0.178 0.000 2.067 977 A HA -0.170 4.133 4.320 -0.030 0.000 0.219 977 A C 1.743 179.514 177.584 0.311 0.000 1.158 977 A CA 1.045 53.218 52.037 0.227 0.000 0.661 977 A CB -0.460 18.614 19.000 0.123 0.000 0.801 977 A HN 0.566 nan 8.150 nan 0.000 0.452 978 Y N -0.267 120.112 120.300 0.132 0.000 2.343 978 Y HA 0.061 4.593 4.550 -0.029 0.000 0.294 978 Y C 2.161 178.108 175.900 0.078 0.000 1.122 978 Y CA 1.334 59.498 58.100 0.108 0.000 1.173 978 Y CB -0.108 38.403 38.460 0.085 0.000 1.077 978 Y HN 0.382 nan 8.280 nan 0.000 0.542 979 E N -0.088 120.308 120.200 0.326 0.000 2.273 979 E HA -0.228 4.104 4.350 -0.030 0.000 0.198 979 E C 1.789 178.409 176.600 0.033 0.000 1.002 979 E CA 1.384 57.902 56.400 0.196 0.000 0.828 979 E CB 0.018 29.823 29.700 0.174 0.000 0.747 979 E HN 0.474 nan 8.360 nan 0.000 0.491 980 M N -1.713 117.900 119.600 0.022 0.000 2.155 980 M HA 0.074 4.536 4.480 -0.030 0.000 0.258 980 M C 1.817 177.984 176.300 -0.222 0.000 1.092 980 M CA 1.773 57.032 55.300 -0.069 0.000 1.153 980 M CB 0.107 32.711 32.600 0.006 0.000 1.316 980 M HN 0.327 nan 8.290 nan 0.000 0.431 981 G N -2.046 106.590 108.800 -0.274 0.000 3.268 981 G HA2 -0.091 3.851 3.960 -0.030 0.000 0.220 981 G HA3 -0.091 3.851 3.960 -0.030 0.000 0.220 981 G C 0.603 175.320 174.900 -0.304 0.000 0.942 981 G CA -0.456 44.441 45.100 -0.337 0.000 0.918 981 G HN 0.289 nan 8.290 nan 0.000 0.658 982 F N 0.816 120.718 119.950 -0.080 0.000 2.128 982 F HA 0.361 4.870 4.527 -0.029 0.000 0.295 982 F C 1.490 177.278 175.800 -0.021 0.000 1.100 982 F CA 0.756 58.735 58.000 -0.036 0.000 1.260 982 F CB 0.111 39.106 39.000 -0.008 0.000 1.009 982 F HN -0.002 nan 8.300 nan 0.000 0.476 983 L N 0.163 121.512 121.223 0.210 0.000 2.289 983 L HA 0.282 4.604 4.340 -0.030 0.000 0.285 983 L C 0.491 177.429 176.870 0.114 0.000 1.049 983 L CA -0.553 54.390 54.840 0.172 0.000 0.804 983 L CB 1.203 43.396 42.059 0.224 0.000 1.195 983 L HN -0.162 nan 8.230 nan 0.000 0.428 984 T N -0.197 114.421 114.554 0.105 0.000 2.900 984 T HA -0.061 4.271 4.350 -0.030 0.000 0.307 984 T C 1.044 175.845 174.700 0.168 0.000 1.065 984 T CA -0.173 61.979 62.100 0.086 0.000 1.105 984 T CB 0.690 69.600 68.868 0.071 0.000 0.979 984 T HN 0.771 nan 8.240 nan 0.000 0.544 985 D N 1.298 121.802 120.400 0.173 0.000 2.172 985 D HA -0.138 4.485 4.640 -0.030 0.000 0.196 985 D C 2.125 178.547 176.300 0.202 0.000 0.999 985 D CA 1.391 55.555 54.000 0.274 0.000 0.856 985 D CB 0.057 40.964 40.800 0.180 0.000 0.934 985 D HN 0.520 nan 8.370 nan 0.000 0.453 986 R N 0.603 121.192 120.500 0.147 0.000 2.057 986 R HA 0.006 4.328 4.340 -0.030 0.000 0.229 986 R C 2.108 178.523 176.300 0.192 0.000 1.136 986 R CA 1.526 57.717 56.100 0.151 0.000 0.952 986 R CB -0.402 29.964 30.300 0.111 0.000 0.848 986 R HN 0.128 nan 8.270 nan 0.000 0.430 987 E N 0.161 120.455 120.200 0.156 0.000 2.164 987 E HA -0.336 3.996 4.350 -0.030 0.000 0.206 987 E C 1.955 178.648 176.600 0.156 0.000 1.032 987 E CA 1.714 58.197 56.400 0.138 0.000 0.832 987 E CB -0.211 29.564 29.700 0.125 0.000 0.742 987 E HN 0.181 nan 8.360 nan 0.000 0.460 988 R N 0.390 121.015 120.500 0.209 0.000 2.103 988 R HA -0.227 4.095 4.340 -0.030 0.000 0.234 988 R C 2.192 178.597 176.300 0.175 0.000 1.132 988 R CA 1.971 58.186 56.100 0.192 0.000 0.925 988 R CB -1.001 29.420 30.300 0.201 0.000 0.842 988 R HN 0.274 nan 8.270 nan 0.000 0.430 989 Y N 2.295 122.625 120.300 0.050 0.000 1.979 989 Y HA -0.300 4.233 4.550 -0.029 0.000 0.262 989 Y C 1.953 177.885 175.900 0.055 0.000 1.142 989 Y CA 2.638 60.766 58.100 0.045 0.000 1.096 989 Y CB -0.978 37.503 38.460 0.035 0.000 0.958 989 Y HN 0.328 nan 8.280 nan 0.000 0.484 990 D N -0.360 120.049 120.400 0.016 0.000 2.220 990 D HA -0.273 4.349 4.640 -0.030 0.000 0.198 990 D C 2.097 178.349 176.300 -0.079 0.000 1.001 990 D CA 1.828 55.770 54.000 -0.096 0.000 0.875 990 D CB -0.385 40.432 40.800 0.027 0.000 0.921 990 D HN 0.562 nan 8.370 nan 0.000 0.454 991 Q N -0.333 119.456 119.800 -0.018 0.000 2.137 991 Q HA -0.024 4.299 4.340 -0.030 0.000 0.198 991 Q C 2.034 178.003 176.000 -0.051 0.000 0.960 991 Q CA 0.655 56.444 55.803 -0.023 0.000 0.847 991 Q CB 0.118 28.862 28.738 0.010 0.000 0.915 991 Q HN 0.365 nan 8.270 nan 0.000 0.448 992 I N 0.301 120.852 120.570 -0.032 0.000 2.286 992 I HA -0.274 3.879 4.170 -0.030 0.000 0.245 992 I C 2.002 178.133 176.117 0.023 0.000 1.104 992 I CA 0.811 62.105 61.300 -0.009 0.000 1.397 992 I CB -0.240 37.815 38.000 0.092 0.000 1.072 992 I HN 0.237 nan 8.210 nan 0.000 0.417 993 L N 0.347 121.535 121.223 -0.058 0.000 2.042 993 L HA -0.257 4.066 4.340 -0.030 0.000 0.210 993 L C 2.712 179.589 176.870 0.013 0.000 1.076 993 L CA 1.442 56.271 54.840 -0.019 0.000 0.749 993 L CB -0.783 41.141 42.059 -0.226 0.000 0.893 993 L HN 0.285 nan 8.230 nan 0.000 0.432 994 Q N 0.702 120.473 119.800 -0.050 0.000 2.112 994 Q HA -0.269 4.054 4.340 -0.030 0.000 0.206 994 Q C 2.112 178.075 176.000 -0.061 0.000 0.987 994 Q CA 1.981 57.757 55.803 -0.046 0.000 0.858 994 Q CB -0.436 28.267 28.738 -0.057 0.000 0.905 994 Q HN 0.383 nan 8.270 nan 0.000 0.420 995 L N -0.646 120.499 121.223 -0.130 0.000 1.989 995 L HA -0.108 4.214 4.340 -0.030 0.000 0.211 995 L C 1.809 178.529 176.870 -0.251 0.000 1.071 995 L CA 2.077 56.753 54.840 -0.273 0.000 0.749 995 L CB -0.787 40.983 42.059 -0.480 0.000 0.890 995 L HN 0.457 nan 8.230 nan 0.000 0.431 996 W N -0.664 120.620 121.300 -0.027 0.000 2.409 996 W HA -0.098 4.544 4.660 -0.030 0.000 0.299 996 W C 2.450 178.964 176.519 -0.010 0.000 1.203 996 W CA 1.148 58.486 57.345 -0.012 0.000 1.298 996 W CB -0.827 28.627 29.460 -0.010 0.000 1.127 996 W HN 0.021 nan 8.180 nan 0.000 0.528 997 T N 0.496 115.165 114.554 0.192 0.000 2.778 997 T HA -0.227 4.105 4.350 -0.030 0.000 0.269 997 T C 1.213 175.959 174.700 0.076 0.000 1.050 997 T CA 1.856 64.021 62.100 0.107 0.000 1.137 997 T CB -0.246 68.653 68.868 0.052 0.000 0.860 997 T HN 0.308 nan 8.240 nan 0.000 0.468 998 E N 0.336 120.562 120.200 0.044 0.000 2.075 998 E HA -0.012 4.320 4.350 -0.030 0.000 0.190 998 E C 2.551 179.169 176.600 0.029 0.000 0.969 998 E CA 0.945 57.351 56.400 0.010 0.000 0.815 998 E CB -0.211 29.464 29.700 -0.042 0.000 0.776 998 E HN 0.266 nan 8.360 nan 0.000 0.457 999 T N 0.865 115.438 114.554 0.032 0.000 2.699 999 T HA -0.186 4.146 4.350 -0.030 0.000 0.268 999 T C 2.008 176.825 174.700 0.196 0.000 1.036 999 T CA 1.827 63.976 62.100 0.082 0.000 1.147 999 T CB -0.443 68.472 68.868 0.078 0.000 0.862 999 T HN 0.157 nan 8.240 nan 0.000 0.446 1000 T N 1.545 116.231 114.554 0.221 0.000 2.595 1000 T HA -0.145 4.187 4.350 -0.030 0.000 0.264 1000 T C 1.968 176.765 174.700 0.162 0.000 1.058 1000 T CA 1.313 63.528 62.100 0.192 0.000 1.166 1000 T CB -0.400 68.563 68.868 0.158 0.000 0.863 1000 T HN 0.268 nan 8.240 nan 0.000 0.415 1001 E N 1.218 121.493 120.200 0.125 0.000 2.187 1001 E HA -0.177 4.155 4.350 -0.030 0.000 0.199 1001 E C 2.068 178.748 176.600 0.133 0.000 1.004 1001 E CA 1.452 57.914 56.400 0.104 0.000 0.813 1001 E CB -0.141 29.597 29.700 0.064 0.000 0.736 1001 E HN 0.468 nan 8.360 nan 0.000 0.468 1002 K N -0.205 120.286 120.400 0.152 0.000 2.025 1002 K HA -0.098 4.205 4.320 -0.030 0.000 0.207 1002 K C 2.223 179.062 176.600 0.400 0.000 1.049 1002 K CA 1.526 57.944 56.287 0.218 0.000 0.933 1002 K CB -0.199 32.350 32.500 0.081 0.000 0.714 1002 K HN 0.174 nan 8.250 nan 0.000 0.438 1003 V N -1.070 119.061 119.914 0.362 0.000 2.809 1003 V HA -0.140 3.962 4.120 -0.030 0.000 0.256 1003 V C 1.844 178.065 176.094 0.212 0.000 1.080 1003 V CA 1.727 64.167 62.300 0.234 0.000 1.102 1003 V CB -0.836 31.081 31.823 0.157 0.000 0.705 1003 V HN 0.139 nan 8.190 nan 0.000 0.475 1004 T N 0.078 114.775 114.554 0.238 0.000 2.643 1004 T HA -0.251 4.081 4.350 -0.030 0.000 0.264 1004 T C 1.935 176.874 174.700 0.397 0.000 1.045 1004 T CA 2.229 64.515 62.100 0.309 0.000 1.155 1004 T CB -0.389 68.619 68.868 0.233 0.000 0.863 1004 T HN 0.560 nan 8.240 nan 0.000 0.420 1005 Q N 0.173 120.130 119.800 0.262 0.000 2.226 1005 Q HA -0.086 4.237 4.340 -0.030 0.000 0.204 1005 Q C 2.470 178.636 176.000 0.276 0.000 0.975 1005 Q CA 1.144 57.088 55.803 0.236 0.000 0.866 1005 Q CB -0.216 28.610 28.738 0.146 0.000 0.915 1005 Q HN 0.562 nan 8.270 nan 0.000 0.440 1006 A N 0.275 123.239 122.820 0.242 0.000 1.835 1006 A HA -0.172 4.131 4.320 -0.030 0.000 0.215 1006 A C 2.186 179.841 177.584 0.118 0.000 1.199 1006 A CA 1.805 53.921 52.037 0.132 0.000 0.615 1006 A CB -1.296 17.695 19.000 -0.014 0.000 0.838 1006 A HN 0.398 nan 8.150 nan 0.000 0.444 1007 V N -2.540 117.462 119.914 0.148 0.000 2.282 1007 V HA -0.294 3.808 4.120 -0.030 0.000 0.249 1007 V C 2.251 178.502 176.094 0.262 0.000 1.057 1007 V CA 2.560 64.929 62.300 0.115 0.000 1.032 1007 V CB -1.343 30.560 31.823 0.133 0.000 0.645 1007 V HN 0.382 nan 8.190 nan 0.000 0.447 1008 F N 0.950 121.108 119.950 0.347 0.000 2.134 1008 F HA -0.001 4.507 4.527 -0.032 0.000 0.299 1008 F C 2.681 178.637 175.800 0.259 0.000 1.097 1008 F CA 2.295 60.544 58.000 0.415 0.000 1.264 1008 F CB -0.575 38.591 39.000 0.277 0.000 1.001 1008 F HN 0.107 nan 8.300 nan 0.000 0.479 1009 K N 0.293 120.896 120.400 0.337 0.000 2.211 1009 K HA -0.224 4.078 4.320 -0.030 0.000 0.204 1009 K C 2.092 178.705 176.600 0.022 0.000 1.047 1009 K CA 1.108 57.491 56.287 0.160 0.000 0.935 1009 K CB -0.193 32.374 32.500 0.112 0.000 0.728 1009 K HN 0.138 nan 8.250 nan 0.000 0.452 1010 N N 0.527 119.196 118.700 -0.052 0.000 2.062 1010 N HA -0.141 4.581 4.740 -0.030 0.000 0.191 1010 N C 1.636 176.895 175.510 -0.418 0.000 1.042 1010 N CA 1.497 54.369 53.050 -0.295 0.000 0.845 1010 N CB -0.375 37.850 38.487 -0.438 0.000 1.024 1010 N HN 0.071 nan 8.380 nan 0.000 0.424 1011 F N 1.753 121.473 119.950 -0.383 0.000 2.120 1011 F HA -0.142 4.366 4.527 -0.033 0.000 0.300 1011 F C 2.634 178.079 175.800 -0.591 0.000 1.095 1011 F CA 1.443 59.080 58.000 -0.605 0.000 1.249 1011 F CB -0.510 37.823 39.000 -1.111 0.000 0.995 1011 F HN 0.250 nan 8.300 nan 0.000 0.480 1012 E N 0.290 120.409 120.200 -0.135 0.000 2.077 1012 E HA -0.205 4.127 4.350 -0.030 0.000 0.193 1012 E C 2.020 178.577 176.600 -0.072 0.000 0.989 1012 E CA 1.552 57.937 56.400 -0.026 0.000 0.800 1012 E CB 0.047 29.824 29.700 0.128 0.000 0.746 1012 E HN 0.426 nan 8.360 nan 0.000 0.452 1013 E N 0.114 120.246 120.200 -0.114 0.000 2.042 1013 E HA -0.068 4.264 4.350 -0.030 0.000 0.189 1013 E C 1.857 178.353 176.600 -0.174 0.000 0.974 1013 E CA 0.662 56.990 56.400 -0.121 0.000 0.806 1013 E CB -0.211 29.418 29.700 -0.119 0.000 0.769 1013 E HN 0.304 nan 8.360 nan 0.000 0.451 1014 N N 0.130 118.632 118.700 -0.330 0.000 2.333 1014 N HA -0.035 4.687 4.740 -0.030 0.000 0.183 1014 N C 0.151 175.486 175.510 -0.292 0.000 1.030 1014 N CA 0.746 53.539 53.050 -0.427 0.000 0.867 1014 N CB 0.019 38.031 38.487 -0.792 0.000 1.027 1014 N HN 0.136 nan 8.380 nan 0.000 0.435 1015 Y N 0.405 120.632 120.300 -0.123 0.000 2.842 1015 Y HA 0.431 4.961 4.550 -0.033 0.000 0.334 1015 Y C -1.818 174.044 175.900 -0.063 0.000 1.019 1015 Y CA -3.131 54.941 58.100 -0.046 0.000 1.258 1015 Y CB 1.047 39.491 38.460 -0.027 0.000 1.106 1015 Y HN 0.000 nan 8.280 nan 0.000 0.545 1016 P HA -0.107 nan 4.420 nan 0.000 0.218 1016 P C -0.204 177.048 177.300 -0.081 0.000 1.149 1016 P CA 1.388 64.394 63.100 -0.156 0.000 0.817 1016 P CB 0.166 31.644 31.700 -0.370 0.000 0.785 1017 F N 0.049 120.168 119.950 0.281 0.000 2.344 1017 F HA 0.291 4.793 4.527 -0.042 0.000 0.344 1017 F C 0.731 176.719 175.800 0.313 0.000 1.140 1017 F CA -0.891 57.312 58.000 0.339 0.000 1.256 1017 F CB -0.163 39.028 39.000 0.318 0.000 1.573 1017 F HN -0.159 nan 8.300 nan 0.000 0.547 1018 N N 3.061 122.068 118.700 0.511 0.000 2.400 1018 N HA 0.306 5.028 4.740 -0.030 0.000 0.288 1018 N C -2.081 173.652 175.510 0.372 0.000 1.024 1018 N CA -2.246 51.064 53.050 0.434 0.000 0.894 1018 N CB 2.377 41.240 38.487 0.626 0.000 1.173 1018 N HN 0.035 nan 8.380 nan 0.000 0.487 1019 P HA -0.133 nan 4.420 nan 0.000 0.215 1019 P C 1.599 178.991 177.300 0.153 0.000 1.157 1019 P CA 0.671 63.883 63.100 0.187 0.000 0.874 1019 P CB 0.387 32.155 31.700 0.113 0.000 0.790 1020 L N -1.268 120.041 121.223 0.144 0.000 1.943 1020 L HA -0.203 4.119 4.340 -0.030 0.000 0.215 1020 L C 2.525 179.381 176.870 -0.023 0.000 1.074 1020 L CA 1.871 56.748 54.840 0.062 0.000 0.759 1020 L CB -1.783 40.322 42.059 0.076 0.000 0.888 1020 L HN -0.063 nan 8.230 nan 0.000 0.433 1021 Y N -0.816 119.283 120.300 -0.334 0.000 2.181 1021 Y HA -0.270 4.259 4.550 -0.035 0.000 0.284 1021 Y C 2.216 178.003 175.900 -0.189 0.000 1.179 1021 Y CA 2.072 59.859 58.100 -0.522 0.000 1.179 1021 Y CB -0.766 37.029 38.460 -1.109 0.000 0.973 1021 Y HN 0.053 nan 8.280 nan 0.000 0.519 1022 V N 0.925 120.886 119.914 0.078 0.000 2.295 1022 V HA -0.382 3.720 4.120 -0.030 0.000 0.246 1022 V C 2.461 178.414 176.094 -0.235 0.000 1.049 1022 V CA 2.405 64.682 62.300 -0.039 0.000 1.024 1022 V CB -0.622 31.362 31.823 0.267 0.000 0.648 1022 V HN 0.535 nan 8.190 nan 0.000 0.447 1023 M N -0.377 119.157 119.600 -0.111 0.000 2.195 1023 M HA -0.215 4.248 4.480 -0.030 0.000 0.260 1023 M C 2.235 178.435 176.300 -0.167 0.000 1.066 1023 M CA 2.175 57.407 55.300 -0.114 0.000 1.089 1023 M CB -0.530 32.048 32.600 -0.036 0.000 1.377 1023 M HN 0.428 nan 8.290 nan 0.000 0.411 1024 A N -0.515 122.188 122.820 -0.196 0.000 1.930 1024 A HA -0.116 4.186 4.320 -0.030 0.000 0.215 1024 A C 2.069 179.508 177.584 -0.241 0.000 1.176 1024 A CA 1.032 52.966 52.037 -0.171 0.000 0.632 1024 A CB -0.365 18.572 19.000 -0.105 0.000 0.819 1024 A HN 0.495 nan 8.150 nan 0.000 0.445 1025 Q N 0.671 120.229 119.800 -0.404 0.000 2.062 1025 Q HA -0.017 4.306 4.340 -0.030 0.000 0.196 1025 Q C 1.031 176.819 176.000 -0.353 0.000 0.967 1025 Q CA 0.861 56.438 55.803 -0.377 0.000 0.832 1025 Q CB -0.298 28.149 28.738 -0.485 0.000 0.899 1025 Q HN 0.719 nan 8.270 nan 0.000 0.442 1026 S N -0.088 115.254 115.700 -0.597 0.000 2.568 1026 S HA 0.137 4.589 4.470 -0.030 0.000 0.282 1026 S C 1.182 175.639 174.600 -0.238 0.000 1.338 1026 S CA -0.103 57.763 58.200 -0.557 0.000 1.045 1026 S CB 1.039 63.743 63.200 -0.826 0.000 0.873 1026 S HN 0.362 nan 8.310 nan 0.000 0.516 1027 G N 0.977 109.711 108.800 -0.109 0.000 2.615 1027 G HA2 0.119 4.062 3.960 -0.030 0.000 0.213 1027 G HA3 0.119 4.062 3.960 -0.030 0.000 0.213 1027 G C 1.164 176.040 174.900 -0.040 0.000 1.135 1027 G CA 0.458 45.525 45.100 -0.054 0.000 0.772 1027 G HN 1.040 nan 8.290 nan 0.000 0.542 1028 A N 0.144 122.928 122.820 -0.059 0.000 1.844 1028 A HA 0.185 4.488 4.320 -0.030 0.000 0.214 1028 A C 1.474 179.051 177.584 -0.010 0.000 1.217 1028 A CA 0.973 52.999 52.037 -0.019 0.000 0.644 1028 A CB -0.001 18.983 19.000 -0.026 0.000 0.850 1028 A HN 0.299 nan 8.150 nan 0.000 0.456 1029 R N -2.329 118.154 120.500 -0.028 0.000 2.561 1029 R HA 0.494 4.816 4.340 -0.030 0.000 0.266 1029 R C -1.070 175.218 176.300 -0.021 0.000 1.091 1029 R CA 0.359 56.453 56.100 -0.010 0.000 0.927 1029 R CB 1.887 32.194 30.300 0.011 0.000 1.240 1029 R HN 1.475 nan 8.270 nan 0.000 0.449 1030 G N 2.122 110.918 108.800 -0.007 0.000 2.435 1030 G HA2 -0.067 3.875 3.960 -0.030 0.000 0.603 1030 G HA3 -0.067 3.875 3.960 -0.030 0.000 0.603 1030 G C -1.994 172.916 174.900 0.017 0.000 1.496 1030 G CA -0.927 44.175 45.100 0.004 0.000 0.896 1030 G HN 0.451 nan 8.290 nan 0.000 0.657 1031 N N 1.910 120.639 118.700 0.049 0.000 2.269 1031 N HA 0.662 5.384 4.740 -0.030 0.000 0.304 1031 N C -1.462 174.117 175.510 0.115 0.000 1.072 1031 N CA -2.174 50.910 53.050 0.056 0.000 0.802 1031 N CB 2.841 41.356 38.487 0.048 0.000 1.348 1031 N HN 0.058 nan 8.380 nan 0.000 0.484 1032 P HA -0.139 nan 4.420 nan 0.000 0.216 1032 P C 0.858 178.268 177.300 0.183 0.000 1.157 1032 P CA 1.524 64.688 63.100 0.106 0.000 0.880 1032 P CB 0.447 32.084 31.700 -0.105 0.000 0.791 1033 Q N -0.940 118.921 119.800 0.102 0.000 2.230 1033 Q HA -0.130 4.192 4.340 -0.030 0.000 0.202 1033 Q C 2.181 178.250 176.000 0.116 0.000 0.963 1033 Q CA 1.477 57.340 55.803 0.100 0.000 0.866 1033 Q CB -0.496 28.278 28.738 0.060 0.000 0.931 1033 Q HN 0.336 nan 8.270 nan 0.000 0.452 1034 Q N -0.739 119.133 119.800 0.121 0.000 2.033 1034 Q HA -0.055 4.267 4.340 -0.030 0.000 0.196 1034 Q C 1.831 177.917 176.000 0.142 0.000 0.970 1034 Q CA 1.052 56.931 55.803 0.126 0.000 0.828 1034 Q CB -0.023 28.777 28.738 0.102 0.000 0.895 1034 Q HN 0.354 nan 8.270 nan 0.000 0.440 1035 I N 0.999 121.655 120.570 0.144 0.000 2.236 1035 I HA -0.353 3.799 4.170 -0.030 0.000 0.249 1035 I C 2.414 178.595 176.117 0.107 0.000 1.102 1035 I CA 1.549 62.904 61.300 0.091 0.000 1.365 1035 I CB -0.924 37.074 38.000 -0.005 0.000 1.051 1035 I HN 0.332 nan 8.210 nan 0.000 0.420 1036 R N 1.168 121.766 120.500 0.163 0.000 2.117 1036 R HA -0.206 4.117 4.340 -0.030 0.000 0.243 1036 R C 2.139 178.476 176.300 0.062 0.000 1.143 1036 R CA 1.544 57.729 56.100 0.141 0.000 0.968 1036 R CB -0.019 30.377 30.300 0.160 0.000 0.863 1036 R HN 0.562 nan 8.270 nan 0.000 0.444 1037 Q N -0.290 119.540 119.800 0.050 0.000 2.378 1037 Q HA -0.079 4.243 4.340 -0.030 0.000 0.205 1037 Q C 1.749 177.711 176.000 -0.063 0.000 0.954 1037 Q CA 0.716 56.474 55.803 -0.075 0.000 0.901 1037 Q CB 0.211 28.943 28.738 -0.010 0.000 0.981 1037 Q HN 0.306 nan 8.270 nan 0.000 0.483 1038 L N -0.770 120.523 121.223 0.117 0.000 2.269 1038 L HA -0.012 4.310 4.340 -0.030 0.000 0.200 1038 L C 2.258 179.190 176.870 0.102 0.000 1.069 1038 L CA 0.885 55.834 54.840 0.183 0.000 0.804 1038 L CB -0.560 41.623 42.059 0.208 0.000 0.987 1038 L HN 0.168 nan 8.230 nan 0.000 0.468 1039 C N -0.366 118.989 119.300 0.092 0.000 2.961 1039 C HA 0.265 4.707 4.460 -0.030 0.000 0.287 1039 C C 2.636 177.650 174.990 0.041 0.000 1.310 1039 C CA 0.105 59.171 59.018 0.081 0.000 1.709 1039 C CB -1.582 26.232 27.740 0.123 0.000 2.163 1039 C HN 0.554 nan 8.230 nan 0.000 0.517 1040 G N 0.746 109.573 108.800 0.046 0.000 2.752 1040 G HA2 0.305 4.247 3.960 -0.030 0.000 0.209 1040 G HA3 0.305 4.247 3.960 -0.030 0.000 0.209 1040 G C 0.156 175.059 174.900 0.005 0.000 1.392 1040 G CA 1.433 46.554 45.100 0.034 0.000 0.873 1040 G HN 0.892 nan 8.290 nan 0.000 0.586 1041 L N -2.415 118.805 121.223 -0.005 0.000 2.789 1041 L HA 0.522 4.844 4.340 -0.030 0.000 0.254 1041 L C -1.054 175.767 176.870 -0.083 0.000 0.952 1041 L CA -1.275 53.526 54.840 -0.066 0.000 0.942 1041 L CB 1.656 43.689 42.059 -0.043 0.000 1.502 1041 L HN 0.521 nan 8.230 nan 0.000 0.425 1042 R N 1.325 121.720 120.500 -0.176 0.000 2.221 1042 R HA 0.651 4.973 4.340 -0.030 0.000 0.327 1042 R C 0.221 176.434 176.300 -0.144 0.000 1.033 1042 R CA -0.059 55.942 56.100 -0.165 0.000 0.887 1042 R CB 1.437 31.567 30.300 -0.282 0.000 1.057 1042 R HN 0.893 nan 8.270 nan 0.000 0.455 1043 G N 3.181 111.924 108.800 -0.096 0.000 3.146 1043 G HA2 0.155 4.097 3.960 -0.030 0.000 0.238 1043 G HA3 0.155 4.097 3.960 -0.030 0.000 0.238 1043 G C -0.067 174.746 174.900 -0.146 0.000 1.022 1043 G CA -0.235 44.778 45.100 -0.144 0.000 0.880 1043 G HN 0.486 nan 8.290 nan 0.000 0.533 1044 L N 1.616 122.800 121.223 -0.066 0.000 2.529 1044 L HA 0.495 4.817 4.340 -0.030 0.000 0.258 1044 L C -0.963 175.927 176.870 0.033 0.000 1.032 1044 L CA -0.638 54.184 54.840 -0.030 0.000 0.899 1044 L CB 1.681 43.747 42.059 0.011 0.000 1.174 1044 L HN 0.005 nan 8.230 nan 0.000 0.458 1045 M N 2.584 122.217 119.600 0.056 0.000 2.250 1045 M HA 0.259 4.721 4.480 -0.030 0.000 0.344 1045 M C 0.075 176.565 176.300 0.316 0.000 1.150 1045 M CA 0.216 55.597 55.300 0.134 0.000 1.147 1045 M CB 1.325 33.969 32.600 0.074 0.000 1.498 1045 M HN 0.466 nan 8.290 nan 0.000 0.461 1046 Q N 2.315 122.260 119.800 0.242 0.000 2.214 1046 Q HA 0.490 4.812 4.340 -0.030 0.000 0.251 1046 Q C -0.756 175.342 176.000 0.163 0.000 0.936 1046 Q CA -0.944 54.961 55.803 0.171 0.000 0.894 1046 Q CB 1.564 30.339 28.738 0.062 0.000 1.252 1046 Q HN 0.486 nan 8.270 nan 0.000 0.448 1047 K N 1.183 121.420 120.400 -0.272 0.000 2.233 1047 K HA 0.084 4.386 4.320 -0.030 0.000 0.239 1047 K C -1.710 174.740 176.600 -0.249 0.000 1.064 1047 K CA -1.362 54.600 56.287 -0.541 0.000 0.884 1047 K CB -0.124 31.836 32.500 -0.900 0.000 1.166 1047 K HN 0.482 nan 8.250 nan 0.000 0.512 1048 P HA -0.230 nan 4.420 nan 0.000 0.214 1048 P C 1.476 178.742 177.300 -0.057 0.000 1.163 1048 P CA 1.752 64.800 63.100 -0.087 0.000 0.883 1048 P CB -0.011 31.663 31.700 -0.043 0.000 0.788 1049 S N -1.719 113.926 115.700 -0.092 0.000 2.343 1049 S HA -0.005 4.447 4.470 -0.030 0.000 0.219 1049 S C 1.894 176.462 174.600 -0.053 0.000 1.033 1049 S CA 1.815 59.976 58.200 -0.065 0.000 1.014 1049 S CB -1.344 61.808 63.200 -0.081 0.000 0.915 1049 S HN 0.334 nan 8.310 nan 0.000 0.435 1050 G N 0.997 109.751 108.800 -0.076 0.000 3.655 1050 G HA2 -0.032 3.911 3.960 -0.030 0.000 0.219 1050 G HA3 -0.032 3.911 3.960 -0.030 0.000 0.219 1050 G C -0.335 174.542 174.900 -0.039 0.000 0.933 1050 G CA -0.115 44.960 45.100 -0.042 0.000 0.856 1050 G HN 0.701 nan 8.290 nan 0.000 0.523 1051 E N 2.861 123.017 120.200 -0.074 0.000 2.271 1051 E HA 0.378 4.710 4.350 -0.030 0.000 0.255 1051 E C 0.724 177.287 176.600 -0.061 0.000 1.177 1051 E CA 0.328 56.705 56.400 -0.039 0.000 0.946 1051 E CB 0.007 29.631 29.700 -0.126 0.000 1.009 1051 E HN 0.347 nan 8.360 nan 0.000 0.451 1052 T N 1.608 116.206 114.554 0.072 0.000 2.855 1052 T HA 0.024 4.357 4.350 -0.030 0.000 0.322 1052 T C 0.046 174.807 174.700 0.103 0.000 1.088 1052 T CA -0.535 61.607 62.100 0.069 0.000 1.104 1052 T CB 0.189 69.115 68.868 0.098 0.000 0.996 1052 T HN 0.339 nan 8.240 nan 0.000 0.549 1053 F N 1.067 121.078 119.950 0.101 0.000 2.496 1053 F HA 0.231 4.740 4.527 -0.030 0.000 0.344 1053 F C 1.927 177.822 175.800 0.158 0.000 1.155 1053 F CA -0.124 57.940 58.000 0.108 0.000 1.302 1053 F CB 0.509 39.530 39.000 0.036 0.000 1.159 1053 F HN 0.875 nan 8.300 nan 0.000 0.595 1054 E N 0.511 120.957 120.200 0.410 0.000 2.216 1054 E HA -0.009 4.323 4.350 -0.030 0.000 0.192 1054 E C -0.399 176.323 176.600 0.203 0.000 0.988 1054 E CA 0.461 57.063 56.400 0.338 0.000 0.834 1054 E CB 0.363 30.247 29.700 0.308 0.000 0.772 1054 E HN 0.304 nan 8.360 nan 0.000 0.479 1055 V N 2.751 122.753 119.914 0.147 0.000 2.398 1055 V HA 0.313 4.415 4.120 -0.030 0.000 0.286 1055 V C -2.191 173.771 176.094 -0.220 0.000 1.026 1055 V CA -1.787 60.487 62.300 -0.044 0.000 0.868 1055 V CB 1.196 33.006 31.823 -0.023 0.000 0.982 1055 V HN 0.103 nan 8.190 nan 0.000 0.443 1056 P HA 0.249 nan 4.420 nan 0.000 0.277 1056 P C -0.697 176.353 177.300 -0.416 0.000 1.271 1056 P CA -0.387 62.352 63.100 -0.601 0.000 0.795 1056 P CB 0.636 31.613 31.700 -1.204 0.000 1.101 1057 V N 2.611 122.331 119.914 -0.324 0.000 2.304 1057 V HA 0.139 4.241 4.120 -0.030 0.000 0.262 1057 V C 1.506 177.458 176.094 -0.236 0.000 1.061 1057 V CA 0.098 62.254 62.300 -0.241 0.000 0.872 1057 V CB 0.298 32.001 31.823 -0.201 0.000 1.077 1057 V HN 0.439 nan 8.190 nan 0.000 0.480 1058 R N 2.063 122.433 120.500 -0.216 0.000 2.249 1058 R HA -0.028 4.294 4.340 -0.030 0.000 0.230 1058 R C 0.935 177.173 176.300 -0.103 0.000 1.121 1058 R CA 0.593 56.598 56.100 -0.157 0.000 0.997 1058 R CB -0.074 30.166 30.300 -0.100 0.000 0.867 1058 R HN 0.682 nan 8.270 nan 0.000 0.465 1059 S N -1.223 114.408 115.700 -0.115 0.000 2.722 1059 S HA 0.492 4.944 4.470 -0.030 0.000 0.292 1059 S C -0.121 174.375 174.600 -0.173 0.000 1.135 1059 S CA -0.708 57.431 58.200 -0.101 0.000 1.003 1059 S CB 1.896 65.059 63.200 -0.062 0.000 1.067 1059 S HN 0.300 nan 8.310 nan 0.000 0.546 1060 S N -0.175 115.439 115.700 -0.142 0.000 2.767 1060 S HA 0.594 5.047 4.470 -0.030 0.000 0.300 1060 S C -0.046 174.452 174.600 -0.170 0.000 1.123 1060 S CA -0.607 57.475 58.200 -0.197 0.000 0.992 1060 S CB 0.034 63.198 63.200 -0.059 0.000 1.138 1060 S HN 0.424 nan 8.310 nan 0.000 0.550 1061 F N 0.395 120.367 119.950 0.037 0.000 2.710 1061 F HA 0.319 4.827 4.527 -0.030 0.000 0.298 1061 F C 2.578 178.403 175.800 0.042 0.000 1.137 1061 F CA -0.176 57.851 58.000 0.045 0.000 1.444 1061 F CB -0.436 38.591 39.000 0.045 0.000 1.111 1061 F HN 0.494 nan 8.300 nan 0.000 0.580 1062 R N 1.266 121.878 120.500 0.186 0.000 2.082 1062 R HA -0.128 4.194 4.340 -0.030 0.000 0.234 1062 R C 0.804 177.162 176.300 0.098 0.000 1.136 1062 R CA 1.406 57.580 56.100 0.123 0.000 0.935 1062 R CB -0.482 29.867 30.300 0.082 0.000 0.842 1062 R HN 0.305 nan 8.270 nan 0.000 0.430 1063 E N -1.610 118.634 120.200 0.074 0.000 2.267 1063 E HA 0.348 4.680 4.350 -0.030 0.000 0.258 1063 E C -0.660 175.989 176.600 0.082 0.000 1.074 1063 E CA -0.431 56.006 56.400 0.062 0.000 0.915 1063 E CB 0.885 30.607 29.700 0.036 0.000 1.186 1063 E HN 0.378 nan 8.360 nan 0.000 0.439 1064 G N 1.354 110.196 108.800 0.070 0.000 2.254 1064 G HA2 0.097 4.040 3.960 -0.030 0.000 0.253 1064 G HA3 0.097 4.040 3.960 -0.030 0.000 0.253 1064 G C -0.317 174.642 174.900 0.099 0.000 1.246 1064 G CA -0.036 45.117 45.100 0.088 0.000 0.946 1064 G HN 0.280 nan 8.290 nan 0.000 0.474 1065 L N 5.032 126.361 121.223 0.175 0.000 2.462 1065 L HA 0.299 4.622 4.340 -0.030 0.000 0.283 1065 L C 1.394 178.386 176.870 0.203 0.000 1.166 1065 L CA -0.452 54.490 54.840 0.170 0.000 0.964 1065 L CB -0.691 41.533 42.059 0.275 0.000 1.294 1065 L HN 0.674 nan 8.230 nan 0.000 0.449 1066 T N 1.355 115.973 114.554 0.107 0.000 2.701 1066 T HA -0.041 4.291 4.350 -0.030 0.000 0.354 1066 T C 1.545 176.327 174.700 0.136 0.000 1.085 1066 T CA 0.314 62.465 62.100 0.085 0.000 1.094 1066 T CB 0.284 69.177 68.868 0.042 0.000 1.010 1066 T HN 0.378 nan 8.240 nan 0.000 0.548 1067 V N 2.216 122.181 119.914 0.085 0.000 2.214 1067 V HA -0.165 3.937 4.120 -0.030 0.000 0.247 1067 V C 2.818 179.017 176.094 0.174 0.000 1.051 1067 V CA 2.299 64.662 62.300 0.105 0.000 1.003 1067 V CB -1.115 30.733 31.823 0.043 0.000 0.635 1067 V HN 0.824 nan 8.190 nan 0.000 0.447 1068 L N -0.597 120.683 121.223 0.096 0.000 2.141 1068 L HA -0.144 4.178 4.340 -0.030 0.000 0.209 1068 L C 2.620 179.541 176.870 0.085 0.000 1.094 1068 L CA 1.486 56.381 54.840 0.093 0.000 0.763 1068 L CB -0.474 41.588 42.059 0.005 0.000 0.908 1068 L HN 0.388 nan 8.230 nan 0.000 0.437 1069 E N -1.257 118.976 120.200 0.055 0.000 2.118 1069 E HA -0.288 4.045 4.350 -0.030 0.000 0.195 1069 E C 1.968 178.593 176.600 0.042 0.000 0.992 1069 E CA 1.556 57.959 56.400 0.005 0.000 0.804 1069 E CB -0.162 29.538 29.700 0.000 0.000 0.741 1069 E HN 0.492 nan 8.360 nan 0.000 0.458 1070 Y N -0.098 120.216 120.300 0.023 0.000 2.163 1070 Y HA -0.245 4.287 4.550 -0.030 0.000 0.288 1070 Y C 2.091 178.002 175.900 0.017 0.000 1.136 1070 Y CA 1.605 59.728 58.100 0.038 0.000 1.147 1070 Y CB -0.208 38.288 38.460 0.060 0.000 0.987 1070 Y HN 0.014 nan 8.280 nan 0.000 0.509 1071 F N -0.281 119.731 119.950 0.103 0.000 2.186 1071 F HA -0.222 4.287 4.527 -0.029 0.000 0.299 1071 F C 2.052 177.783 175.800 -0.115 0.000 1.090 1071 F CA 1.005 58.998 58.000 -0.012 0.000 1.307 1071 F CB -0.369 38.627 39.000 -0.006 0.000 1.019 1071 F HN 0.010 nan 8.300 nan 0.000 0.489 1072 I N -0.559 120.074 120.570 0.104 0.000 2.226 1072 I HA -0.281 3.871 4.170 -0.030 0.000 0.245 1072 I C 2.703 178.763 176.117 -0.096 0.000 1.100 1072 I CA 1.697 62.939 61.300 -0.096 0.000 1.374 1072 I CB -1.475 36.318 38.000 -0.345 0.000 1.057 1072 I HN 0.223 nan 8.210 nan 0.000 0.413 1073 S N 0.621 116.234 115.700 -0.145 0.000 2.383 1073 S HA -0.161 4.291 4.470 -0.030 0.000 0.227 1073 S C 2.365 176.855 174.600 -0.184 0.000 1.026 1073 S CA 1.933 60.038 58.200 -0.159 0.000 0.981 1073 S CB -0.264 62.795 63.200 -0.235 0.000 0.818 1073 S HN 0.637 nan 8.310 nan 0.000 0.472 1074 S N 1.435 116.944 115.700 -0.318 0.000 2.380 1074 S HA -0.269 4.183 4.470 -0.030 0.000 0.229 1074 S C 1.795 176.231 174.600 -0.274 0.000 1.043 1074 S CA 1.552 59.528 58.200 -0.374 0.000 1.038 1074 S CB -1.357 61.491 63.200 -0.586 0.000 0.872 1074 S HN 0.730 nan 8.310 nan 0.000 0.456 1075 H N 1.853 120.810 119.070 -0.189 0.000 2.261 1075 H HA -0.119 4.419 4.556 -0.030 0.000 0.290 1075 H C 2.637 177.948 175.328 -0.028 0.000 1.081 1075 H CA 1.892 57.902 56.048 -0.063 0.000 1.196 1075 H CB -1.321 28.495 29.762 0.090 0.000 1.350 1075 H HN 0.603 nan 8.280 nan 0.000 0.498 1076 G N 0.226 109.118 108.800 0.152 0.000 2.501 1076 G HA2 -0.161 3.781 3.960 -0.030 0.000 0.220 1076 G HA3 -0.161 3.781 3.960 -0.030 0.000 0.220 1076 G C 1.932 176.844 174.900 0.021 0.000 1.114 1076 G CA 1.071 46.217 45.100 0.077 0.000 0.757 1076 G HN 0.555 nan 8.290 nan 0.000 0.559 1077 A N 0.868 123.678 122.820 -0.018 0.000 1.855 1077 A HA 0.012 4.314 4.320 -0.030 0.000 0.215 1077 A C 2.524 180.092 177.584 -0.027 0.000 1.191 1077 A CA 1.401 53.415 52.037 -0.039 0.000 0.613 1077 A CB -0.343 18.607 19.000 -0.083 0.000 0.829 1077 A HN 0.223 nan 8.150 nan 0.000 0.442 1078 R N 0.497 120.979 120.500 -0.030 0.000 2.083 1078 R HA -0.194 4.128 4.340 -0.030 0.000 0.237 1078 R C 2.286 178.586 176.300 0.000 0.000 1.137 1078 R CA 1.923 58.013 56.100 -0.016 0.000 0.951 1078 R CB -0.803 29.489 30.300 -0.013 0.000 0.851 1078 R HN 0.862 nan 8.270 nan 0.000 0.434 1079 K N -0.229 120.180 120.400 0.014 0.000 2.059 1079 K HA -0.139 4.163 4.320 -0.030 0.000 0.212 1079 K C 2.133 178.734 176.600 0.001 0.000 1.050 1079 K CA 2.022 58.317 56.287 0.013 0.000 0.927 1079 K CB -0.852 31.660 32.500 0.020 0.000 0.714 1079 K HN 0.170 nan 8.250 nan 0.000 0.447 1080 G N 0.345 109.144 108.800 -0.001 0.000 2.422 1080 G HA2 -0.188 3.754 3.960 -0.030 0.000 0.218 1080 G HA3 -0.188 3.754 3.960 -0.030 0.000 0.218 1080 G C 1.633 176.527 174.900 -0.010 0.000 1.146 1080 G CA 0.782 45.877 45.100 -0.007 0.000 0.769 1080 G HN 0.519 nan 8.290 nan 0.000 0.547 1081 G N 0.872 109.666 108.800 -0.009 0.000 2.403 1081 G HA2 0.133 4.076 3.960 -0.030 0.000 0.216 1081 G HA3 0.133 4.076 3.960 -0.030 0.000 0.216 1081 G C 2.026 176.922 174.900 -0.006 0.000 1.154 1081 G CA 1.326 46.421 45.100 -0.009 0.000 0.784 1081 G HN 0.603 nan 8.290 nan 0.000 0.538 1082 A N 0.755 123.573 122.820 -0.003 0.000 1.972 1082 A HA -0.047 4.255 4.320 -0.030 0.000 0.219 1082 A C 2.023 179.605 177.584 -0.004 0.000 1.169 1082 A CA 2.136 54.173 52.037 0.000 0.000 0.635 1082 A CB -0.403 18.600 19.000 0.005 0.000 0.810 1082 A HN 0.343 nan 8.150 nan 0.000 0.446 1083 D N -0.830 119.564 120.400 -0.010 0.000 2.183 1083 D HA -0.096 4.527 4.640 -0.030 0.000 0.203 1083 D C 2.274 178.562 176.300 -0.020 0.000 0.969 1083 D CA 1.811 55.800 54.000 -0.019 0.000 0.842 1083 D CB 0.017 40.801 40.800 -0.026 0.000 0.957 1083 D HN 0.545 nan 8.370 nan 0.000 0.484 1084 T N -1.887 112.659 114.554 -0.014 0.000 2.857 1084 T HA -0.003 4.329 4.350 -0.030 0.000 0.266 1084 T C 2.059 176.756 174.700 -0.006 0.000 1.048 1084 T CA 1.016 63.109 62.100 -0.011 0.000 1.139 1084 T CB -0.398 68.465 68.868 -0.009 0.000 0.874 1084 T HN 0.073 nan 8.240 nan 0.000 0.455 1085 A N 1.726 124.545 122.820 -0.003 0.000 1.898 1085 A HA 0.165 4.467 4.320 -0.030 0.000 0.216 1085 A C 2.199 179.786 177.584 0.006 0.000 1.181 1085 A CA 1.068 53.107 52.037 0.003 0.000 0.620 1085 A CB -0.759 18.244 19.000 0.004 0.000 0.819 1085 A HN 0.403 nan 8.150 nan 0.000 0.442 1086 L N -0.710 120.515 121.223 0.004 0.000 2.191 1086 L HA 0.007 4.330 4.340 -0.030 0.000 0.212 1086 L C 2.399 179.272 176.870 0.005 0.000 1.103 1086 L CA 1.791 56.636 54.840 0.009 0.000 0.769 1086 L CB -0.991 41.074 42.059 0.009 0.000 0.908 1086 L HN 0.403 nan 8.230 nan 0.000 0.438 1087 R N -0.934 119.564 120.500 -0.004 0.000 2.105 1087 R HA -0.012 4.310 4.340 -0.030 0.000 0.214 1087 R C 1.996 178.302 176.300 0.010 0.000 1.091 1087 R CA 0.941 57.039 56.100 -0.003 0.000 1.007 1087 R CB -0.061 30.228 30.300 -0.018 0.000 0.912 1087 R HN 0.284 nan 8.270 nan 0.000 0.450 1088 T N 0.921 115.480 114.554 0.009 0.000 2.969 1088 T HA -0.156 4.176 4.350 -0.030 0.000 0.271 1088 T C 1.592 176.305 174.700 0.020 0.000 1.127 1088 T CA 0.853 62.961 62.100 0.013 0.000 1.102 1088 T CB -0.336 68.536 68.868 0.008 0.000 0.855 1088 T HN 0.364 nan 8.240 nan 0.000 0.536 1089 A N 2.169 125.003 122.820 0.023 0.000 1.873 1089 A HA -0.116 4.186 4.320 -0.030 0.000 0.211 1089 A C 1.240 178.851 177.584 0.046 0.000 1.218 1089 A CA 1.141 53.197 52.037 0.031 0.000 0.659 1089 A CB -0.482 18.537 19.000 0.032 0.000 0.853 1089 A HN 0.438 nan 8.150 nan 0.000 0.466 1090 D N -1.096 119.344 120.400 0.067 0.000 2.414 1090 D HA 0.432 5.054 4.640 -0.030 0.000 0.232 1090 D C 0.118 176.494 176.300 0.126 0.000 1.070 1090 D CA 0.033 54.097 54.000 0.107 0.000 0.839 1090 D CB 1.629 42.535 40.800 0.178 0.000 1.079 1090 D HN 0.196 nan 8.370 nan 0.000 0.521 1091 S N 1.663 117.420 115.700 0.095 0.000 2.503 1091 S HA 0.074 4.527 4.470 -0.030 0.000 0.217 1091 S C 1.713 176.377 174.600 0.107 0.000 0.999 1091 S CA 0.704 58.960 58.200 0.093 0.000 0.914 1091 S CB 0.331 63.567 63.200 0.059 0.000 0.782 1091 S HN 0.601 nan 8.310 nan 0.000 0.520 1092 G N -0.614 108.244 108.800 0.097 0.000 2.777 1092 G HA2 -0.027 3.915 3.960 -0.030 0.000 0.211 1092 G HA3 -0.027 3.915 3.960 -0.030 0.000 0.211 1092 G C 0.948 175.906 174.900 0.096 0.000 1.149 1092 G CA 0.168 45.308 45.100 0.068 0.000 0.785 1092 G HN 0.538 nan 8.290 nan 0.000 0.536 1093 Y N 0.948 121.275 120.300 0.045 0.000 1.977 1093 Y HA -0.291 4.241 4.550 -0.030 0.000 0.264 1093 Y C 2.507 178.450 175.900 0.070 0.000 1.167 1093 Y CA 2.298 60.437 58.100 0.065 0.000 1.102 1093 Y CB -0.391 38.130 38.460 0.102 0.000 0.948 1093 Y HN 0.168 nan 8.280 nan 0.000 0.489 1094 L N -0.380 121.058 121.223 0.359 0.000 2.017 1094 L HA -0.155 4.167 4.340 -0.030 0.000 0.208 1094 L C 2.147 179.048 176.870 0.052 0.000 1.073 1094 L CA 2.681 57.656 54.840 0.225 0.000 0.745 1094 L CB -1.145 41.071 42.059 0.262 0.000 0.894 1094 L HN 0.355 nan 8.230 nan 0.000 0.432 1095 T N -1.072 113.517 114.554 0.058 0.000 3.113 1095 T HA -0.074 4.258 4.350 -0.030 0.000 0.263 1095 T C 1.877 176.568 174.700 -0.015 0.000 1.143 1095 T CA 0.741 62.849 62.100 0.012 0.000 1.090 1095 T CB -0.153 68.735 68.868 0.034 0.000 0.922 1095 T HN 0.200 nan 8.240 nan 0.000 0.521 1096 R N 1.528 122.008 120.500 -0.034 0.000 2.052 1096 R HA 0.087 4.409 4.340 -0.030 0.000 0.226 1096 R C 2.450 178.722 176.300 -0.047 0.000 1.145 1096 R CA 1.046 57.109 56.100 -0.061 0.000 0.952 1096 R CB -0.043 30.193 30.300 -0.106 0.000 0.847 1096 R HN 0.228 nan 8.270 nan 0.000 0.431 1097 K N 0.313 120.670 120.400 -0.071 0.000 2.044 1097 K HA -0.193 4.109 4.320 -0.030 0.000 0.210 1097 K C 1.936 178.527 176.600 -0.016 0.000 1.049 1097 K CA 1.370 57.641 56.287 -0.027 0.000 0.927 1097 K CB -0.466 31.995 32.500 -0.065 0.000 0.713 1097 K HN 0.104 nan 8.250 nan 0.000 0.443 1098 L N 0.895 122.069 121.223 -0.080 0.000 2.141 1098 L HA -0.112 4.210 4.340 -0.030 0.000 0.209 1098 L C 2.291 179.165 176.870 0.006 0.000 1.094 1098 L CA 1.117 55.899 54.840 -0.096 0.000 0.763 1098 L CB -0.418 41.537 42.059 -0.175 0.000 0.908 1098 L HN -0.083 nan 8.230 nan 0.000 0.437 1099 V N -1.063 118.870 119.914 0.033 0.000 3.306 1099 V HA -0.099 4.003 4.120 -0.030 0.000 0.264 1099 V C 1.656 177.879 176.094 0.215 0.000 1.149 1099 V CA 0.881 63.237 62.300 0.094 0.000 1.143 1099 V CB -0.447 31.400 31.823 0.041 0.000 0.767 1099 V HN 0.346 nan 8.190 nan 0.000 0.476 1100 D N 0.475 120.989 120.400 0.190 0.000 2.183 1100 D HA -0.036 4.586 4.640 -0.030 0.000 0.205 1100 D C 1.937 178.444 176.300 0.345 0.000 0.962 1100 D CA 1.041 55.234 54.000 0.322 0.000 0.849 1100 D CB 0.124 41.129 40.800 0.341 0.000 0.978 1100 D HN 0.402 nan 8.370 nan 0.000 0.488 1101 V N -0.226 119.811 119.914 0.206 0.000 3.608 1101 V HA 0.086 4.189 4.120 -0.030 0.000 0.269 1101 V C 1.457 177.599 176.094 0.081 0.000 1.245 1101 V CA 0.933 63.319 62.300 0.143 0.000 1.138 1101 V CB 0.113 32.006 31.823 0.117 0.000 0.841 1101 V HN 0.067 nan 8.190 nan 0.000 0.451 1102 T N -0.845 113.756 114.554 0.078 0.000 2.986 1102 T HA 0.097 4.429 4.350 -0.030 0.000 0.264 1102 T C 1.702 176.410 174.700 0.014 0.000 0.964 1102 T CA 0.358 62.480 62.100 0.036 0.000 0.895 1102 T CB -0.087 68.814 68.868 0.054 0.000 1.163 1102 T HN 0.714 nan 8.240 nan 0.000 0.517 1103 H N 3.295 122.396 119.070 0.053 0.000 2.289 1103 H HA -0.156 4.382 4.556 -0.030 0.000 0.296 1103 H C 1.929 177.281 175.328 0.041 0.000 1.091 1103 H CA 1.964 58.035 56.048 0.037 0.000 1.274 1103 H CB -0.662 29.113 29.762 0.021 0.000 1.364 1103 H HN 0.603 nan 8.280 nan 0.000 0.490 1104 E N 1.777 121.706 120.200 -0.451 0.000 2.233 1104 E HA -0.138 4.194 4.350 -0.030 0.000 0.199 1104 E C 0.556 177.144 176.600 -0.019 0.000 1.004 1104 E CA 0.523 56.815 56.400 -0.180 0.000 0.819 1104 E CB -0.269 29.295 29.700 -0.227 0.000 0.738 1104 E HN 0.329 nan 8.360 nan 0.000 0.478 1105 I N 2.785 123.349 120.570 -0.010 0.000 2.664 1105 I HA 0.011 4.163 4.170 -0.030 0.000 0.284 1105 I C -0.043 176.099 176.117 0.042 0.000 1.154 1105 I CA 0.207 61.527 61.300 0.034 0.000 1.402 1105 I CB -0.039 37.982 38.000 0.036 0.000 1.395 1105 I HN -0.042 nan 8.210 nan 0.000 0.545 1106 V N 6.787 126.728 119.914 0.045 0.000 3.012 1106 V HA 0.324 4.426 4.120 -0.030 0.000 0.307 1106 V C -0.112 176.002 176.094 0.033 0.000 1.166 1106 V CA -0.956 61.363 62.300 0.032 0.000 0.974 1106 V CB 2.420 34.264 31.823 0.035 0.000 1.040 1106 V HN 0.333 nan 8.190 nan 0.000 0.428 1107 V N 4.677 124.597 119.914 0.011 0.000 2.415 1107 V HA 0.390 4.492 4.120 -0.030 0.000 0.267 1107 V C 0.356 176.485 176.094 0.058 0.000 1.042 1107 V CA -0.179 62.134 62.300 0.022 0.000 1.000 1107 V CB 0.049 31.859 31.823 -0.023 0.000 1.015 1107 V HN 0.945 nan 8.190 nan 0.000 0.478 1108 R N 3.860 124.394 120.500 0.058 0.000 2.625 1108 R HA 0.696 5.018 4.340 -0.030 0.000 0.286 1108 R C -0.772 175.527 176.300 -0.002 0.000 1.406 1108 R CA -0.744 55.391 56.100 0.060 0.000 1.052 1108 R CB 1.574 31.908 30.300 0.057 0.000 1.203 1108 R HN 0.806 nan 8.270 nan 0.000 0.502 1109 E N 1.765 121.950 120.200 -0.025 0.000 2.456 1109 E HA 0.805 5.138 4.350 -0.030 0.000 0.278 1109 E C -1.652 174.891 176.600 -0.095 0.000 1.034 1109 E CA -1.034 55.335 56.400 -0.052 0.000 0.846 1109 E CB 1.431 31.136 29.700 0.009 0.000 1.460 1109 E HN 0.475 nan 8.360 nan 0.000 0.463 1110 A N 0.684 123.467 122.820 -0.061 0.000 2.469 1110 A HA 0.596 4.898 4.320 -0.030 0.000 0.299 1110 A C -1.459 176.125 177.584 -0.000 0.000 1.098 1110 A CA -0.518 51.494 52.037 -0.042 0.000 0.737 1110 A CB 0.922 19.886 19.000 -0.061 0.000 1.312 1110 A HN 0.802 nan 8.150 nan 0.000 0.414 1111 D N 0.606 121.018 120.400 0.020 0.000 2.479 1111 D HA 0.087 4.709 4.640 -0.030 0.000 0.257 1111 D C 0.285 176.595 176.300 0.016 0.000 1.230 1111 D CA -0.045 53.974 54.000 0.031 0.000 0.912 1111 D CB -0.356 40.466 40.800 0.038 0.000 1.130 1111 D HN 0.450 nan 8.370 nan 0.000 0.515 1112 C N 3.361 122.670 119.300 0.016 0.000 2.523 1112 C HA 0.332 4.774 4.460 -0.030 0.000 0.406 1112 C C 1.980 176.976 174.990 0.011 0.000 1.449 1112 C CA 0.548 59.571 59.018 0.008 0.000 1.588 1112 C CB -0.854 26.890 27.740 0.007 0.000 2.514 1112 C HN 0.788 nan 8.230 nan 0.000 0.606 1113 G N 3.546 112.351 108.800 0.009 0.000 2.985 1113 G HA2 0.072 4.014 3.960 -0.030 0.000 0.209 1113 G HA3 0.072 4.014 3.960 -0.030 0.000 0.209 1113 G C 0.727 175.638 174.900 0.018 0.000 1.165 1113 G CA 0.360 45.468 45.100 0.013 0.000 0.776 1113 G HN 0.719 nan 8.290 nan 0.000 0.541 1114 T N 1.307 115.872 114.554 0.018 0.000 2.739 1114 T HA 0.398 4.730 4.350 -0.030 0.000 0.298 1114 T C -0.108 174.616 174.700 0.039 0.000 0.929 1114 T CA -0.041 62.074 62.100 0.025 0.000 1.014 1114 T CB 0.196 69.074 68.868 0.017 0.000 0.914 1114 T HN -0.058 nan 8.240 nan 0.000 0.509 1115 T N 7.431 122.018 114.554 0.056 0.000 3.262 1115 T HA 0.299 4.631 4.350 -0.030 0.000 0.374 1115 T C 0.043 174.835 174.700 0.154 0.000 1.504 1115 T CA -0.754 61.402 62.100 0.094 0.000 1.158 1115 T CB -0.296 68.620 68.868 0.079 0.000 1.157 1115 T HN 0.589 nan 8.240 nan 0.000 0.644 1116 N N 3.217 121.982 118.700 0.109 0.000 2.443 1116 N HA 0.523 5.246 4.740 -0.030 0.000 0.295 1116 N C -0.753 174.817 175.510 0.100 0.000 1.076 1116 N CA -0.560 52.519 53.050 0.048 0.000 0.919 1116 N CB 1.951 40.433 38.487 -0.007 0.000 1.176 1116 N HN 0.562 nan 8.380 nan 0.000 0.487 1117 Y N -1.230 119.063 120.300 -0.011 0.000 2.715 1117 Y HA 0.712 5.245 4.550 -0.030 0.000 0.331 1117 Y C -1.173 174.717 175.900 -0.016 0.000 1.197 1117 Y CA -1.290 56.799 58.100 -0.019 0.000 1.079 1117 Y CB 1.085 39.531 38.460 -0.024 0.000 1.298 1117 Y HN 0.365 nan 8.280 nan 0.000 0.477 1118 I N 1.224 121.915 120.570 0.201 0.000 2.530 1118 I HA 0.525 4.677 4.170 -0.030 0.000 0.297 1118 I C -0.942 175.299 176.117 0.206 0.000 1.011 1118 I CA -0.617 60.742 61.300 0.097 0.000 1.107 1118 I CB 1.841 39.865 38.000 0.041 0.000 1.285 1118 I HN 0.743 nan 8.210 nan 0.000 0.436 1119 S N 5.380 121.160 115.700 0.133 0.000 2.438 1119 S HA 0.423 4.875 4.470 -0.030 0.000 0.316 1119 S C -0.549 174.089 174.600 0.063 0.000 1.084 1119 S CA -0.533 57.749 58.200 0.137 0.000 1.107 1119 S CB 1.440 64.730 63.200 0.150 0.000 0.981 1119 S HN 0.320 nan 8.310 nan 0.000 0.466 1120 V N 6.291 126.227 119.914 0.038 0.000 2.461 1120 V HA 0.285 4.387 4.120 -0.030 0.000 0.275 1120 V C -2.153 173.937 176.094 -0.007 0.000 1.047 1120 V CA -1.828 60.474 62.300 0.003 0.000 0.955 1120 V CB 1.069 32.880 31.823 -0.020 0.000 0.988 1120 V HN 0.602 nan 8.190 nan 0.000 0.471 1121 P HA 0.264 nan 4.420 nan 0.000 0.274 1121 P C -0.050 177.186 177.300 -0.106 0.000 1.231 1121 P CA -0.209 62.883 63.100 -0.012 0.000 0.790 1121 P CB 0.801 32.511 31.700 0.016 0.000 0.951 1122 L N 1.071 122.173 121.223 -0.202 0.000 2.858 1122 L HA 0.366 4.688 4.340 -0.030 0.000 0.251 1122 L C -0.378 175.924 176.870 -0.947 0.000 1.149 1122 L CA 0.529 55.032 54.840 -0.562 0.000 0.955 1122 L CB -0.094 41.525 42.059 -0.732 0.000 1.289 1122 L HN 0.264 nan 8.230 nan 0.000 0.542 1123 F N -0.274 119.676 119.950 0.001 0.000 2.565 1123 F HA 0.584 5.094 4.527 -0.030 0.000 0.313 1123 F C -0.074 175.728 175.800 0.004 0.000 1.091 1123 F CA -1.040 56.961 58.000 0.002 0.000 0.915 1123 F CB 1.710 40.712 39.000 0.003 0.000 1.208 1123 F HN -0.100 nan 8.300 nan 0.000 0.453 1124 Q N 2.994 122.905 119.800 0.186 0.000 2.356 1124 Q HA 0.635 4.957 4.340 -0.030 0.000 0.270 1124 Q C -2.872 173.185 176.000 0.096 0.000 1.058 1124 Q CA -1.887 53.979 55.803 0.105 0.000 0.802 1124 Q CB 3.061 31.833 28.738 0.056 0.000 1.303 1124 Q HN 0.229 nan 8.270 nan 0.000 0.444 1125 P HA -0.020 nan 4.420 nan 0.000 0.204 1125 P C -0.596 176.728 177.300 0.040 0.000 1.215 1125 P CA 0.724 63.855 63.100 0.053 0.000 0.908 1125 P CB 0.151 31.880 31.700 0.048 0.000 0.738 1126 D N -0.637 119.785 120.400 0.035 0.000 2.467 1126 D HA 0.053 4.675 4.640 -0.030 0.000 0.220 1126 D C 0.466 176.781 176.300 0.024 0.000 1.103 1126 D CA -0.129 53.887 54.000 0.028 0.000 0.886 1126 D CB 0.276 41.092 40.800 0.025 0.000 1.025 1126 D HN 0.099 nan 8.370 nan 0.000 0.514 1127 E N 2.359 122.572 120.200 0.021 0.000 2.329 1127 E HA 0.080 4.413 4.350 -0.030 0.000 0.189 1127 E C -0.335 176.273 176.600 0.014 0.000 0.997 1127 E CA -0.024 56.386 56.400 0.016 0.000 1.062 1127 E CB 0.478 30.187 29.700 0.015 0.000 1.260 1127 E HN 0.169 nan 8.360 nan 0.000 0.490 1128 V N 3.226 123.148 119.914 0.013 0.000 2.356 1128 V HA -0.016 4.087 4.120 -0.030 0.000 0.258 1128 V C 1.411 177.513 176.094 0.012 0.000 1.065 1128 V CA 0.905 63.211 62.300 0.011 0.000 0.935 1128 V CB 0.032 31.860 31.823 0.009 0.000 1.061 1128 V HN 0.607 nan 8.190 nan 0.000 0.484 1129 T N 4.526 119.087 114.554 0.011 0.000 2.019 1129 T HA -0.352 3.980 4.350 -0.030 0.000 0.163 1129 T C 1.079 175.788 174.700 0.014 0.000 1.761 1129 T CA 2.566 64.674 62.100 0.012 0.000 0.929 1129 T CB -0.054 68.820 68.868 0.010 0.000 0.787 1129 T HN 0.625 nan 8.240 nan 0.000 0.427 1130 R N 1.303 121.810 120.500 0.011 0.000 2.472 1130 R HA 0.523 4.846 4.340 -0.030 0.000 0.294 1130 R C -1.498 174.805 176.300 0.005 0.000 1.243 1130 R CA 0.270 56.377 56.100 0.010 0.000 1.023 1130 R CB 1.153 31.458 30.300 0.009 0.000 1.157 1130 R HN 0.528 nan 8.270 nan 0.000 0.530 1131 S N 4.187 119.892 115.700 0.009 0.000 2.673 1131 S HA 0.391 4.843 4.470 -0.030 0.000 0.256 1131 S C -0.161 174.448 174.600 0.015 0.000 1.141 1131 S CA -0.938 57.265 58.200 0.006 0.000 1.109 1131 S CB 0.415 63.620 63.200 0.009 0.000 1.101 1131 S HN 0.423 nan 8.310 nan 0.000 0.471 1132 L N 2.916 124.137 121.223 -0.003 0.000 2.503 1132 L HA 0.343 4.665 4.340 -0.030 0.000 0.287 1132 L C 0.804 177.709 176.870 0.057 0.000 1.252 1132 L CA 0.273 55.120 54.840 0.012 0.000 0.835 1132 L CB 0.316 42.322 42.059 -0.089 0.000 1.099 1132 L HN 0.849 nan 8.230 nan 0.000 0.516 1133 R N 2.226 122.827 120.500 0.167 0.000 2.594 1133 R HA 0.335 4.657 4.340 -0.030 0.000 0.265 1133 R C -1.521 175.007 176.300 0.380 0.000 1.070 1133 R CA -0.884 55.338 56.100 0.203 0.000 0.909 1133 R CB 1.196 31.563 30.300 0.111 0.000 1.243 1133 R HN 0.580 nan 8.270 nan 0.000 0.455 1134 L N 4.471 125.891 121.223 0.328 0.000 2.499 1134 L HA 0.180 4.502 4.340 -0.030 0.000 0.273 1134 L C 0.578 177.446 176.870 -0.004 0.000 1.195 1134 L CA 0.301 55.236 54.840 0.159 0.000 0.882 1134 L CB 0.355 42.479 42.059 0.108 0.000 1.133 1134 L HN 0.728 nan 8.230 nan 0.000 0.483 1135 R N 3.208 123.618 120.500 -0.150 0.000 2.905 1135 R HA 0.011 4.333 4.340 -0.030 0.000 0.273 1135 R C 0.231 176.489 176.300 -0.070 0.000 1.033 1135 R CA 0.207 56.250 56.100 -0.096 0.000 1.182 1135 R CB 0.479 30.692 30.300 -0.145 0.000 1.097 1135 R HN 0.550 nan 8.270 nan 0.000 0.504 1136 K N 0.910 121.282 120.400 -0.046 0.000 2.188 1136 K HA -0.057 4.245 4.320 -0.030 0.000 0.246 1136 K C 1.410 177.982 176.600 -0.046 0.000 1.026 1136 K CA -0.043 56.224 56.287 -0.034 0.000 0.871 1136 K CB 0.350 32.836 32.500 -0.023 0.000 1.042 1136 K HN 0.362 nan 8.250 nan 0.000 0.509 1137 R N 0.533 121.016 120.500 -0.028 0.000 2.061 1137 R HA -0.148 4.175 4.340 -0.030 0.000 0.230 1137 R C 2.172 178.448 176.300 -0.040 0.000 1.140 1137 R CA 1.980 58.066 56.100 -0.023 0.000 0.940 1137 R CB -0.842 29.459 30.300 0.002 0.000 0.839 1137 R HN 0.727 nan 8.270 nan 0.000 0.429 1138 A N 1.097 123.898 122.820 -0.031 0.000 1.855 1138 A HA -0.150 4.152 4.320 -0.030 0.000 0.215 1138 A C 1.619 179.166 177.584 -0.061 0.000 1.191 1138 A CA 1.773 53.788 52.037 -0.037 0.000 0.613 1138 A CB -0.718 18.273 19.000 -0.015 0.000 0.829 1138 A HN 0.223 nan 8.150 nan 0.000 0.442 1139 D N 0.242 120.608 120.400 -0.056 0.000 2.170 1139 D HA -0.199 4.423 4.640 -0.030 0.000 0.193 1139 D C 1.708 177.949 176.300 -0.099 0.000 1.004 1139 D CA 1.600 55.559 54.000 -0.069 0.000 0.860 1139 D CB -0.385 40.382 40.800 -0.055 0.000 0.931 1139 D HN 0.560 nan 8.370 nan 0.000 0.448 1140 I N 0.746 121.252 120.570 -0.107 0.000 2.252 1140 I HA -0.196 3.956 4.170 -0.030 0.000 0.245 1140 I C 2.258 178.290 176.117 -0.141 0.000 1.102 1140 I CA 0.929 62.152 61.300 -0.127 0.000 1.385 1140 I CB -0.292 37.624 38.000 -0.140 0.000 1.064 1140 I HN 0.010 nan 8.210 nan 0.000 0.414 1141 E N 1.198 121.315 120.200 -0.140 0.000 2.097 1141 E HA -0.264 4.069 4.350 -0.030 0.000 0.196 1141 E C 2.150 178.653 176.600 -0.162 0.000 1.000 1141 E CA 1.575 57.886 56.400 -0.148 0.000 0.804 1141 E CB -0.240 29.386 29.700 -0.124 0.000 0.740 1141 E HN 0.538 nan 8.360 nan 0.000 0.454 1142 A N 0.505 123.197 122.820 -0.214 0.000 2.235 1142 A HA 0.063 4.365 4.320 -0.030 0.000 0.208 1142 A C 2.004 179.259 177.584 -0.549 0.000 1.172 1142 A CA 1.084 52.864 52.037 -0.428 0.000 0.786 1142 A CB -0.125 18.735 19.000 -0.234 0.000 0.804 1142 A HN 0.313 nan 8.150 nan 0.000 0.479 1143 G N -1.445 107.184 108.800 -0.284 0.000 2.784 1143 G HA2 0.307 4.250 3.960 -0.030 0.000 0.208 1143 G HA3 0.307 4.250 3.960 -0.030 0.000 0.208 1143 G C 1.078 175.940 174.900 -0.063 0.000 1.120 1143 G CA 0.337 45.347 45.100 -0.150 0.000 0.774 1143 G HN 0.369 nan 8.290 nan 0.000 0.528 1144 L N -0.884 120.298 121.223 -0.068 0.000 2.878 1144 L HA 0.351 4.673 4.340 -0.030 0.000 0.253 1144 L C 0.522 177.432 176.870 0.066 0.000 1.135 1144 L CA -0.546 54.286 54.840 -0.015 0.000 0.943 1144 L CB 0.292 42.313 42.059 -0.062 0.000 1.307 1144 L HN 0.198 nan 8.230 nan 0.000 0.545 1145 Y N 2.728 122.978 120.300 -0.084 0.000 2.804 1145 Y HA 0.040 4.572 4.550 -0.029 0.000 0.338 1145 Y C 1.359 177.267 175.900 0.013 0.000 1.252 1145 Y CA 0.325 58.398 58.100 -0.045 0.000 1.576 1145 Y CB 0.424 38.873 38.460 -0.019 0.000 1.223 1145 Y HN 0.332 nan 8.280 nan 0.000 0.536 1146 G N 5.854 114.727 108.800 0.122 0.000 2.323 1146 G HA2 -0.280 3.663 3.960 -0.030 0.000 0.292 1146 G HA3 -0.280 3.663 3.960 -0.030 0.000 0.292 1146 G C 0.038 174.924 174.900 -0.023 0.000 1.040 1146 G CA -0.063 44.851 45.100 -0.310 0.000 0.942 1146 G HN 0.624 nan 8.290 nan 0.000 0.506 1147 R N -1.432 119.030 120.500 -0.062 0.000 2.700 1147 R HA 0.637 4.959 4.340 -0.030 0.000 0.253 1147 R C -0.081 176.074 176.300 -0.241 0.000 1.091 1147 R CA -0.821 55.214 56.100 -0.108 0.000 1.104 1147 R CB 1.345 31.601 30.300 -0.074 0.000 1.202 1147 R HN 0.130 nan 8.270 nan 0.000 0.532 1148 V N 2.860 122.590 119.914 -0.307 0.000 2.328 1148 V HA 0.225 4.327 4.120 -0.030 0.000 0.278 1148 V C 0.590 176.538 176.094 -0.242 0.000 1.021 1148 V CA -0.658 61.387 62.300 -0.426 0.000 0.838 1148 V CB 1.192 32.692 31.823 -0.537 0.000 0.999 1148 V HN 0.492 nan 8.190 nan 0.000 0.447 1149 L N 4.008 125.110 121.223 -0.203 0.000 2.640 1149 L HA -0.040 4.283 4.340 -0.030 0.000 0.280 1149 L C 1.700 178.467 176.870 -0.171 0.000 1.229 1149 L CA 0.494 55.238 54.840 -0.160 0.000 0.919 1149 L CB 0.450 42.433 42.059 -0.127 0.000 1.168 1149 L HN 0.834 nan 8.230 nan 0.000 0.496 1150 A N 5.729 128.421 122.820 -0.212 0.000 1.898 1150 A HA 0.057 4.360 4.320 -0.030 0.000 0.214 1150 A C 0.976 178.402 177.584 -0.263 0.000 1.183 1150 A CA 0.875 52.761 52.037 -0.252 0.000 0.622 1150 A CB 0.122 18.864 19.000 -0.431 0.000 0.824 1150 A HN 0.757 nan 8.150 nan 0.000 0.444 1151 R N -0.303 120.021 120.500 -0.293 0.000 2.855 1151 R HA 0.410 4.732 4.340 -0.030 0.000 0.266 1151 R C -0.715 175.497 176.300 -0.146 0.000 1.034 1151 R CA -0.608 55.364 56.100 -0.214 0.000 0.944 1151 R CB 0.809 30.949 30.300 -0.267 0.000 1.219 1151 R HN 0.542 nan 8.270 nan 0.000 0.474 1152 E N 0.602 120.744 120.200 -0.097 0.000 2.428 1152 E HA 0.262 4.594 4.350 -0.030 0.000 0.257 1152 E C -0.867 175.696 176.600 -0.062 0.000 1.197 1152 E CA -0.508 55.853 56.400 -0.065 0.000 0.974 1152 E CB 0.732 30.406 29.700 -0.042 0.000 0.976 1152 E HN 0.212 nan 8.360 nan 0.000 0.463 1153 V N 1.403 121.291 119.914 -0.043 0.000 2.671 1153 V HA 0.121 4.223 4.120 -0.030 0.000 0.292 1153 V C -0.874 175.209 176.094 -0.019 0.000 1.115 1153 V CA -0.782 61.498 62.300 -0.032 0.000 0.918 1153 V CB 1.530 33.331 31.823 -0.036 0.000 1.036 1153 V HN 0.727 nan 8.190 nan 0.000 0.445 1154 E N 3.027 123.220 120.200 -0.012 0.000 1.893 1154 E HA 0.319 4.652 4.350 -0.030 0.000 0.269 1154 E C 0.030 176.630 176.600 -0.001 0.000 1.129 1154 E CA 0.016 56.413 56.400 -0.005 0.000 0.904 1154 E CB 1.920 31.618 29.700 -0.003 0.000 1.077 1154 E HN 0.547 nan 8.360 nan 0.000 0.407 1155 V N 2.966 122.880 119.914 -0.000 0.000 2.906 1155 V HA -0.030 4.072 4.120 -0.030 0.000 0.221 1155 V C 1.849 177.948 176.094 0.008 0.000 1.147 1155 V CA 0.311 62.614 62.300 0.005 0.000 1.235 1155 V CB -0.173 31.651 31.823 0.003 0.000 1.000 1155 V HN 0.549 nan 8.190 nan 0.000 0.510 1156 L N -0.583 120.644 121.223 0.007 0.000 2.375 1156 L HA 0.330 4.652 4.340 -0.030 0.000 0.215 1156 L C 1.633 178.506 176.870 0.006 0.000 1.108 1156 L CA 1.293 56.137 54.840 0.008 0.000 0.830 1156 L CB 0.458 42.521 42.059 0.007 0.000 0.959 1156 L HN 0.656 nan 8.230 nan 0.000 0.457 1157 G N -1.721 107.082 108.800 0.004 0.000 4.103 1157 G HA2 0.002 3.945 3.960 -0.030 0.000 0.163 1157 G HA3 0.002 3.945 3.960 -0.030 0.000 0.163 1157 G C 0.048 174.950 174.900 0.004 0.000 0.840 1157 G CA -0.155 44.947 45.100 0.004 0.000 0.905 1157 G HN -0.072 nan 8.290 nan 0.000 0.377 1158 V N 1.359 121.275 119.914 0.004 0.000 3.003 1158 V HA 0.486 4.589 4.120 -0.030 0.000 0.305 1158 V C 0.353 176.449 176.094 0.002 0.000 1.078 1158 V CA -0.250 62.052 62.300 0.004 0.000 1.083 1158 V CB 1.200 33.026 31.823 0.005 0.000 1.039 1158 V HN 0.258 nan 8.190 nan 0.000 0.481 1159 R N 2.732 123.233 120.500 0.002 0.000 2.310 1159 R HA 0.449 4.772 4.340 -0.030 0.000 0.316 1159 R C -1.091 175.208 176.300 -0.002 0.000 1.004 1159 R CA -0.483 55.617 56.100 -0.001 0.000 0.900 1159 R CB 0.819 31.119 30.300 0.000 0.000 1.152 1159 R HN 0.581 nan 8.270 nan 0.000 0.513 1160 L N 5.289 126.507 121.223 -0.008 0.000 2.454 1160 L HA 0.070 4.392 4.340 -0.030 0.000 0.284 1160 L C 1.255 178.115 176.870 -0.017 0.000 1.139 1160 L CA -0.109 54.725 54.840 -0.011 0.000 0.911 1160 L CB -0.474 41.573 42.059 -0.021 0.000 1.262 1160 L HN 0.565 nan 8.230 nan 0.000 0.453 1161 E N 3.029 123.225 120.200 -0.006 0.000 2.468 1161 E HA -0.048 4.284 4.350 -0.030 0.000 0.263 1161 E C -0.134 176.452 176.600 -0.024 0.000 1.192 1161 E CA -0.278 56.117 56.400 -0.008 0.000 1.016 1161 E CB 1.121 30.826 29.700 0.008 0.000 0.980 1161 E HN 0.541 nan 8.360 nan 0.000 0.467 1162 E N -0.303 119.879 120.200 -0.029 0.000 2.374 1162 E HA 0.151 4.483 4.350 -0.030 0.000 0.260 1162 E C 0.843 177.419 176.600 -0.041 0.000 1.101 1162 E CA 0.611 56.980 56.400 -0.051 0.000 0.907 1162 E CB 0.440 30.109 29.700 -0.051 0.000 1.014 1162 E HN 0.745 nan 8.360 nan 0.000 0.427 1163 G N 2.973 111.729 108.800 -0.074 0.000 2.284 1163 G HA2 -0.345 3.598 3.960 -0.030 0.000 0.268 1163 G HA3 -0.345 3.598 3.960 -0.030 0.000 0.268 1163 G C 0.592 175.443 174.900 -0.082 0.000 0.980 1163 G CA 0.832 45.882 45.100 -0.082 0.000 0.631 1163 G HN 0.567 nan 8.290 nan 0.000 0.548 1164 R N 0.269 120.752 120.500 -0.028 0.000 2.570 1164 R HA 0.232 4.554 4.340 -0.030 0.000 0.277 1164 R C -0.480 175.817 176.300 -0.006 0.000 1.039 1164 R CA -0.214 55.919 56.100 0.056 0.000 1.065 1164 R CB -0.040 30.288 30.300 0.046 0.000 0.964 1164 R HN 0.199 nan 8.270 nan 0.000 0.428 1165 Y N 4.652 124.977 120.300 0.041 0.000 2.393 1165 Y HA 0.133 4.665 4.550 -0.030 0.000 0.338 1165 Y C 0.338 176.184 175.900 -0.089 0.000 1.029 1165 Y CA -0.349 57.761 58.100 0.017 0.000 1.239 1165 Y CB 0.879 39.448 38.460 0.183 0.000 1.170 1165 Y HN 0.285 nan 8.280 nan 0.000 0.515 1166 L N 3.052 124.224 121.223 -0.084 0.000 2.261 1166 L HA 0.454 4.776 4.340 -0.030 0.000 0.289 1166 L C 0.557 177.278 176.870 -0.248 0.000 1.059 1166 L CA -0.795 53.975 54.840 -0.117 0.000 0.816 1166 L CB 0.491 42.493 42.059 -0.096 0.000 1.191 1166 L HN 0.587 nan 8.230 nan 0.000 0.431 1167 S N 3.171 118.757 115.700 -0.189 0.000 2.580 1167 S HA 0.046 4.498 4.470 -0.030 0.000 0.266 1167 S C 1.001 175.483 174.600 -0.197 0.000 1.354 1167 S CA -0.405 57.699 58.200 -0.161 0.000 1.008 1167 S CB 0.957 64.183 63.200 0.043 0.000 0.898 1167 S HN 0.785 nan 8.310 nan 0.000 0.555 1168 M N 0.927 120.350 119.600 -0.295 0.000 2.346 1168 M HA -0.074 4.388 4.480 -0.030 0.000 0.263 1168 M C 1.414 177.529 176.300 -0.308 0.000 1.064 1168 M CA 1.704 56.705 55.300 -0.498 0.000 1.083 1168 M CB -0.648 31.601 32.600 -0.586 0.000 1.399 1168 M HN 0.829 nan 8.290 nan 0.000 0.435 1169 D N -0.269 120.071 120.400 -0.099 0.000 2.277 1169 D HA -0.119 4.503 4.640 -0.030 0.000 0.208 1169 D C 1.099 177.410 176.300 0.018 0.000 0.962 1169 D CA 0.867 54.894 54.000 0.046 0.000 0.865 1169 D CB 0.046 40.859 40.800 0.022 0.000 0.939 1169 D HN 0.474 nan 8.370 nan 0.000 0.510 1170 D N -0.219 120.153 120.400 -0.047 0.000 2.183 1170 D HA -0.054 4.568 4.640 -0.030 0.000 0.205 1170 D C 2.034 178.293 176.300 -0.067 0.000 0.962 1170 D CA 0.368 54.344 54.000 -0.040 0.000 0.849 1170 D CB 0.529 41.301 40.800 -0.047 0.000 0.978 1170 D HN 0.104 nan 8.370 nan 0.000 0.488 1171 V N 1.284 121.111 119.914 -0.144 0.000 3.305 1171 V HA -0.132 3.970 4.120 -0.030 0.000 0.269 1171 V C 1.754 177.739 176.094 -0.183 0.000 1.157 1171 V CA 1.124 63.314 62.300 -0.183 0.000 1.157 1171 V CB -0.607 31.060 31.823 -0.260 0.000 0.772 1171 V HN 0.228 nan 8.190 nan 0.000 0.498 1172 H N -1.282 117.731 119.070 -0.096 0.000 2.582 1172 H HA 0.216 4.755 4.556 -0.029 0.000 0.269 1172 H C 1.915 177.205 175.328 -0.063 0.000 0.962 1172 H CA 0.667 56.665 56.048 -0.083 0.000 1.230 1172 H CB 0.676 30.386 29.762 -0.087 0.000 1.445 1172 H HN 0.377 nan 8.280 nan 0.000 0.528 1173 L N 0.195 121.455 121.223 0.063 0.000 2.127 1173 L HA -0.008 4.315 4.340 -0.030 0.000 0.203 1173 L C 2.035 178.909 176.870 0.007 0.000 1.080 1173 L CA 0.759 55.614 54.840 0.026 0.000 0.768 1173 L CB -0.219 41.847 42.059 0.012 0.000 0.924 1173 L HN 0.066 nan 8.230 nan 0.000 0.444 1174 L N -0.810 120.405 121.223 -0.013 0.000 2.046 1174 L HA -0.227 4.096 4.340 -0.030 0.000 0.208 1174 L C 2.426 179.275 176.870 -0.034 0.000 1.077 1174 L CA 1.409 56.233 54.840 -0.027 0.000 0.747 1174 L CB -0.555 41.474 42.059 -0.050 0.000 0.896 1174 L HN 0.241 nan 8.230 nan 0.000 0.432 1175 I N -0.124 120.421 120.570 -0.041 0.000 2.252 1175 I HA -0.289 3.864 4.170 -0.030 0.000 0.245 1175 I C 2.672 178.781 176.117 -0.013 0.000 1.102 1175 I CA 1.321 62.588 61.300 -0.055 0.000 1.385 1175 I CB -0.296 37.679 38.000 -0.042 0.000 1.064 1175 I HN 0.208 nan 8.210 nan 0.000 0.414 1176 K N 1.126 121.532 120.400 0.010 0.000 2.280 1176 K HA -0.145 4.157 4.320 -0.030 0.000 0.202 1176 K C 1.980 178.594 176.600 0.024 0.000 1.047 1176 K CA 1.254 57.550 56.287 0.016 0.000 0.942 1176 K CB 0.043 32.550 32.500 0.011 0.000 0.739 1176 K HN 0.346 nan 8.250 nan 0.000 0.457 1177 A N 0.468 123.302 122.820 0.024 0.000 1.943 1177 A HA 0.134 4.436 4.320 -0.030 0.000 0.213 1177 A C 2.159 179.785 177.584 0.071 0.000 1.181 1177 A CA 0.990 53.048 52.037 0.036 0.000 0.653 1177 A CB -0.290 18.726 19.000 0.026 0.000 0.833 1177 A HN 0.349 nan 8.150 nan 0.000 0.451 1178 A N 0.046 122.913 122.820 0.078 0.000 2.067 1178 A HA -0.104 4.199 4.320 -0.030 0.000 0.219 1178 A C 1.838 179.581 177.584 0.264 0.000 1.158 1178 A CA 1.382 53.537 52.037 0.197 0.000 0.661 1178 A CB -0.379 18.633 19.000 0.021 0.000 0.801 1178 A HN 0.593 nan 8.150 nan 0.000 0.452 1179 E N -0.170 120.110 120.200 0.133 0.000 2.072 1179 E HA -0.115 4.217 4.350 -0.030 0.000 0.191 1179 E C 2.318 178.974 176.600 0.093 0.000 0.985 1179 E CA 1.026 57.496 56.400 0.117 0.000 0.801 1179 E CB -0.243 29.493 29.700 0.061 0.000 0.750 1179 E HN 0.616 nan 8.360 nan 0.000 0.452 1180 A N 0.500 123.362 122.820 0.071 0.000 1.968 1180 A HA 0.099 4.401 4.320 -0.030 0.000 0.217 1180 A C 1.617 179.231 177.584 0.050 0.000 1.169 1180 A CA 1.376 53.441 52.037 0.047 0.000 0.638 1180 A CB -0.161 18.859 19.000 0.034 0.000 0.812 1180 A HN 0.344 nan 8.150 nan 0.000 0.446 1181 G N -1.160 107.689 108.800 0.082 0.000 2.618 1181 G HA2 -0.090 3.853 3.960 -0.030 0.000 0.180 1181 G HA3 -0.090 3.853 3.960 -0.030 0.000 0.180 1181 G C 0.028 174.962 174.900 0.056 0.000 1.092 1181 G CA 0.464 45.604 45.100 0.067 0.000 0.856 1181 G HN 0.402 nan 8.290 nan 0.000 0.496 1182 E N -0.923 119.325 120.200 0.079 0.000 2.465 1182 E HA 0.428 4.760 4.350 -0.030 0.000 0.209 1182 E C 0.967 177.609 176.600 0.070 0.000 0.951 1182 E CA 0.510 56.943 56.400 0.056 0.000 0.997 1182 E CB 0.403 30.127 29.700 0.040 0.000 1.025 1182 E HN 0.749 nan 8.360 nan 0.000 0.500 1183 I N -1.021 119.619 120.570 0.118 0.000 2.802 1183 I HA 0.341 4.494 4.170 -0.030 0.000 0.298 1183 I C 0.019 176.283 176.117 0.245 0.000 1.176 1183 I CA -0.710 60.664 61.300 0.123 0.000 1.025 1183 I CB 2.187 40.228 38.000 0.068 0.000 1.243 1183 I HN -0.239 nan 8.210 nan 0.000 0.424 1184 Q N 1.898 121.829 119.800 0.219 0.000 2.245 1184 Q HA 0.339 4.661 4.340 -0.030 0.000 0.250 1184 Q C -0.325 175.789 176.000 0.189 0.000 0.830 1184 Q CA 0.142 56.154 55.803 0.349 0.000 0.950 1184 Q CB 1.634 30.532 28.738 0.266 0.000 1.124 1184 Q HN 0.677 nan 8.270 nan 0.000 0.502 1185 E N -0.028 120.235 120.200 0.106 0.000 2.445 1185 E HA 0.592 4.924 4.350 -0.030 0.000 0.273 1185 E C -1.312 175.308 176.600 0.034 0.000 0.961 1185 E CA -0.913 55.526 56.400 0.065 0.000 0.807 1185 E CB 3.007 32.756 29.700 0.082 0.000 1.362 1185 E HN -0.237 nan 8.360 nan 0.000 0.453 1186 V N 2.203 122.132 119.914 0.025 0.000 2.577 1186 V HA 0.253 4.355 4.120 -0.030 0.000 0.294 1186 V C -2.525 173.572 176.094 0.005 0.000 1.052 1186 V CA -1.588 60.711 62.300 -0.003 0.000 0.891 1186 V CB 1.794 33.599 31.823 -0.030 0.000 1.017 1186 V HN 0.521 nan 8.190 nan 0.000 0.436 1187 P HA 0.195 nan 4.420 nan 0.000 0.269 1187 P C -0.766 176.448 177.300 -0.144 0.000 1.252 1187 P CA 0.378 63.391 63.100 -0.144 0.000 0.780 1187 P CB 1.788 33.245 31.700 -0.404 0.000 0.829 1188 V N 5.322 125.219 119.914 -0.027 0.000 2.777 1188 V HA 0.297 4.400 4.120 -0.030 0.000 0.306 1188 V C -0.078 176.021 176.094 0.009 0.000 1.112 1188 V CA -0.994 61.278 62.300 -0.047 0.000 0.917 1188 V CB 2.607 34.403 31.823 -0.045 0.000 1.018 1188 V HN 0.402 nan 8.190 nan 0.000 0.426 1189 R N 2.964 123.442 120.500 -0.037 0.000 2.734 1189 R HA 0.537 4.860 4.340 -0.030 0.000 0.266 1189 R C 0.052 176.330 176.300 -0.036 0.000 1.044 1189 R CA 0.368 56.458 56.100 -0.016 0.000 1.128 1189 R CB 1.044 31.309 30.300 -0.058 0.000 1.010 1189 R HN 0.896 nan 8.270 nan 0.000 0.461 1190 S N 0.754 116.438 115.700 -0.026 0.000 2.595 1190 S HA 0.289 4.741 4.470 -0.030 0.000 0.270 1190 S C -2.434 172.135 174.600 -0.052 0.000 1.145 1190 S CA -1.115 57.047 58.200 -0.062 0.000 0.825 1190 S CB 1.776 64.944 63.200 -0.052 0.000 1.107 1190 S HN 0.202 nan 8.310 nan 0.000 0.461 1191 P HA 0.007 nan 4.420 nan 0.000 0.218 1191 P C 1.454 178.733 177.300 -0.036 0.000 1.148 1191 P CA 0.994 64.062 63.100 -0.052 0.000 0.822 1191 P CB 0.012 31.665 31.700 -0.077 0.000 0.784 1192 L N -1.265 119.937 121.223 -0.035 0.000 2.141 1192 L HA -0.098 4.224 4.340 -0.030 0.000 0.209 1192 L C 1.837 178.694 176.870 -0.022 0.000 1.094 1192 L CA 2.008 56.834 54.840 -0.022 0.000 0.763 1192 L CB -1.170 40.879 42.059 -0.016 0.000 0.908 1192 L HN 0.160 nan 8.230 nan 0.000 0.437 1193 T N -4.601 109.942 114.554 -0.019 0.000 3.176 1193 T HA 0.093 4.426 4.350 -0.030 0.000 0.263 1193 T C 0.540 175.231 174.700 -0.015 0.000 1.021 1193 T CA -0.534 61.557 62.100 -0.015 0.000 0.905 1193 T CB -0.713 68.152 68.868 -0.004 0.000 1.057 1193 T HN 0.149 nan 8.240 nan 0.000 0.558 1194 C N 2.288 121.574 119.300 -0.023 0.000 2.679 1194 C HA 0.231 4.673 4.460 -0.030 0.000 0.417 1194 C C 1.978 176.944 174.990 -0.039 0.000 1.302 1194 C CA 0.134 59.137 59.018 -0.025 0.000 1.973 1194 C CB 0.501 28.224 27.740 -0.028 0.000 2.715 1194 C HN 0.847 nan 8.230 nan 0.000 0.628 1195 Q N 1.681 121.461 119.800 -0.033 0.000 2.378 1195 Q HA 0.046 4.368 4.340 -0.030 0.000 0.229 1195 Q C 0.469 176.436 176.000 -0.055 0.000 0.882 1195 Q CA 0.435 56.214 55.803 -0.040 0.000 0.936 1195 Q CB 0.023 28.750 28.738 -0.018 0.000 1.092 1195 Q HN 0.870 nan 8.270 nan 0.000 0.535 1196 T N 1.267 115.793 114.554 -0.047 0.000 2.775 1196 T HA 0.146 4.478 4.350 -0.030 0.000 0.281 1196 T C 0.538 175.182 174.700 -0.094 0.000 0.908 1196 T CA -0.394 61.677 62.100 -0.048 0.000 1.123 1196 T CB 1.115 69.971 68.868 -0.020 0.000 0.879 1196 T HN 0.192 nan 8.240 nan 0.000 0.547 1197 R N 2.809 123.225 120.500 -0.140 0.000 2.292 1197 R HA -0.187 4.136 4.340 -0.030 0.000 0.216 1197 R C 1.067 177.140 176.300 -0.378 0.000 1.071 1197 R CA 1.913 57.827 56.100 -0.310 0.000 0.838 1197 R CB -1.236 28.841 30.300 -0.372 0.000 0.800 1197 R HN 0.779 nan 8.270 nan 0.000 0.434 1198 Y N -0.236 120.023 120.300 -0.068 0.000 2.553 1198 Y HA 0.260 4.793 4.550 -0.030 0.000 0.303 1198 Y C 1.032 176.904 175.900 -0.046 0.000 1.194 1198 Y CA 0.275 58.334 58.100 -0.068 0.000 1.305 1198 Y CB 0.141 38.561 38.460 -0.067 0.000 1.045 1198 Y HN 0.325 nan 8.280 nan 0.000 0.514 1199 G N -0.945 107.876 108.800 0.036 0.000 3.015 1199 G HA2 0.634 4.576 3.960 -0.030 0.000 0.281 1199 G HA3 0.634 4.576 3.960 -0.030 0.000 0.281 1199 G C -1.754 173.155 174.900 0.015 0.000 1.386 1199 G CA -0.589 44.533 45.100 0.037 0.000 0.959 1199 G HN -0.201 nan 8.290 nan 0.000 0.522 1200 V N -0.319 119.618 119.914 0.037 0.000 2.760 1200 V HA 0.431 4.534 4.120 -0.030 0.000 0.309 1200 V C 0.359 176.493 176.094 0.067 0.000 1.077 1200 V CA -0.952 61.381 62.300 0.055 0.000 0.910 1200 V CB 1.217 33.100 31.823 0.100 0.000 1.008 1200 V HN 1.219 nan 8.190 nan 0.000 0.424 1201 C N 3.425 122.765 119.300 0.066 0.000 2.396 1201 C HA 0.449 4.891 4.460 -0.030 0.000 0.359 1201 C C 1.625 176.687 174.990 0.119 0.000 1.307 1201 C CA -0.166 58.896 59.018 0.072 0.000 2.392 1201 C CB 1.067 28.837 27.740 0.050 0.000 2.245 1201 C HN 1.008 nan 8.230 nan 0.000 0.615 1202 Q N 0.638 120.513 119.800 0.125 0.000 1.948 1202 Q HA -0.139 4.183 4.340 -0.030 0.000 0.205 1202 Q C 2.201 178.346 176.000 0.241 0.000 0.992 1202 Q CA 1.878 57.794 55.803 0.188 0.000 0.849 1202 Q CB -0.141 28.709 28.738 0.187 0.000 0.918 1202 Q HN 0.666 nan 8.270 nan 0.000 0.421 1203 K N 0.093 120.601 120.400 0.181 0.000 2.160 1203 K HA -0.166 4.136 4.320 -0.030 0.000 0.206 1203 K C 2.047 178.642 176.600 -0.008 0.000 1.047 1203 K CA 0.977 57.298 56.287 0.057 0.000 0.930 1203 K CB -0.646 31.861 32.500 0.011 0.000 0.720 1203 K HN 0.321 nan 8.250 nan 0.000 0.450 1204 C N -0.340 118.984 119.300 0.041 0.000 2.475 1204 C HA -0.042 4.400 4.460 -0.030 0.000 0.279 1204 C C 2.545 177.538 174.990 0.006 0.000 1.322 1204 C CA -0.193 58.830 59.018 0.008 0.000 1.734 1204 C CB -0.756 26.995 27.740 0.018 0.000 2.005 1204 C HN 0.456 nan 8.230 nan 0.000 0.495 1205 Y N 1.233 121.522 120.300 -0.019 0.000 2.084 1205 Y HA 0.301 4.833 4.550 -0.030 0.000 0.279 1205 Y C 1.693 177.566 175.900 -0.045 0.000 1.119 1205 Y CA 2.498 60.568 58.100 -0.049 0.000 1.101 1205 Y CB -0.342 38.101 38.460 -0.028 0.000 0.989 1205 Y HN 0.396 nan 8.280 nan 0.000 0.484 1206 G N -2.140 106.866 108.800 0.343 0.000 2.113 1206 G HA2 -0.253 3.689 3.960 -0.030 0.000 0.082 1206 G HA3 -0.253 3.689 3.960 -0.030 0.000 0.082 1206 G C 0.260 175.537 174.900 0.629 0.000 1.155 1206 G CA 0.055 45.356 45.100 0.335 0.000 1.241 1206 G HN 0.320 nan 8.290 nan 0.000 0.453 1207 Y N 0.583 121.026 120.300 0.237 0.000 2.284 1207 Y HA 0.300 4.832 4.550 -0.030 0.000 0.293 1207 Y C 0.943 176.862 175.900 0.033 0.000 1.140 1207 Y CA 0.446 58.627 58.100 0.136 0.000 1.153 1207 Y CB 0.652 39.149 38.460 0.061 0.000 1.114 1207 Y HN 0.270 nan 8.280 nan 0.000 0.521 1208 D N 2.177 122.672 120.400 0.158 0.000 2.357 1208 D HA 0.072 4.694 4.640 -0.030 0.000 0.265 1208 D C -0.574 175.725 176.300 -0.001 0.000 1.334 1208 D CA 0.516 54.528 54.000 0.018 0.000 0.984 1208 D CB 0.280 41.073 40.800 -0.012 0.000 1.077 1208 D HN 0.066 nan 8.370 nan 0.000 0.514 1209 L N 1.517 122.686 121.223 -0.091 0.000 2.440 1209 L HA 0.166 4.488 4.340 -0.030 0.000 0.262 1209 L C 1.801 178.630 176.870 -0.067 0.000 1.072 1209 L CA -0.018 54.761 54.840 -0.103 0.000 0.798 1209 L CB 0.931 42.921 42.059 -0.114 0.000 1.307 1209 L HN 0.165 nan 8.230 nan 0.000 0.475 1210 S N -0.226 115.451 115.700 -0.040 0.000 2.420 1210 S HA -0.129 4.323 4.470 -0.030 0.000 0.237 1210 S C 0.966 175.568 174.600 0.003 0.000 1.023 1210 S CA 0.975 59.169 58.200 -0.011 0.000 0.991 1210 S CB -0.469 62.738 63.200 0.012 0.000 0.792 1210 S HN 0.434 nan 8.310 nan 0.000 0.488 1211 M N 0.188 119.788 119.600 0.001 0.000 1.876 1211 M HA 0.184 4.646 4.480 -0.030 0.000 0.216 1211 M C 1.046 177.229 176.300 -0.195 0.000 1.334 1211 M CA 0.608 55.922 55.300 0.023 0.000 0.951 1211 M CB 0.188 32.783 32.600 -0.008 0.000 1.271 1211 M HN 0.087 nan 8.290 nan 0.000 0.414 1212 A N -0.077 122.543 122.820 -0.334 0.000 2.469 1212 A HA 0.222 4.525 4.320 -0.030 0.000 0.245 1212 A C 0.626 177.693 177.584 -0.862 0.000 1.221 1212 A CA -0.417 51.294 52.037 -0.543 0.000 0.946 1212 A CB -0.085 18.557 19.000 -0.597 0.000 1.049 1212 A HN 0.733 nan 8.150 nan 0.000 0.529 1213 R N -0.159 119.992 120.500 -0.583 0.000 2.562 1213 R HA 0.463 4.786 4.340 -0.030 0.000 0.217 1213 R C -2.593 173.341 176.300 -0.610 0.000 1.234 1213 R CA -1.441 54.307 56.100 -0.588 0.000 1.027 1213 R CB -1.480 28.651 30.300 -0.281 0.000 1.525 1213 R HN -0.099 nan 8.270 nan 0.000 0.527 1214 P HA -0.010 nan 4.420 nan 0.000 0.288 1214 P C -0.481 176.732 177.300 -0.144 0.000 1.291 1214 P CA -0.438 62.448 63.100 -0.358 0.000 0.766 1214 P CB 0.302 31.671 31.700 -0.551 0.000 1.242 1215 V N 0.081 119.996 119.914 0.002 0.000 2.583 1215 V HA 0.209 4.311 4.120 -0.030 0.000 0.287 1215 V C -0.302 175.757 176.094 -0.058 0.000 1.051 1215 V CA 0.200 62.472 62.300 -0.048 0.000 1.010 1215 V CB 0.518 32.299 31.823 -0.070 0.000 0.988 1215 V HN 0.370 nan 8.190 nan 0.000 0.478 1216 S N 7.445 123.092 115.700 -0.088 0.000 2.475 1216 S HA 0.516 4.968 4.470 -0.030 0.000 0.281 1216 S C -0.030 174.551 174.600 -0.032 0.000 1.198 1216 S CA -0.393 57.774 58.200 -0.056 0.000 1.063 1216 S CB 0.697 63.851 63.200 -0.077 0.000 0.972 1216 S HN 0.666 nan 8.310 nan 0.000 0.486 1217 I N 2.624 123.219 120.570 0.041 0.000 2.906 1217 I HA 0.083 4.235 4.170 -0.030 0.000 0.302 1217 I C 1.374 177.539 176.117 0.080 0.000 1.220 1217 I CA 0.877 62.247 61.300 0.118 0.000 1.441 1217 I CB -0.150 38.051 38.000 0.336 0.000 1.336 1217 I HN 0.985 nan 8.210 nan 0.000 0.565 1218 G N 4.106 112.952 108.800 0.075 0.000 2.141 1218 G HA2 -0.237 3.705 3.960 -0.030 0.000 0.195 1218 G HA3 -0.237 3.705 3.960 -0.030 0.000 0.195 1218 G C -0.111 174.783 174.900 -0.010 0.000 1.012 1218 G CA -0.103 45.025 45.100 0.046 0.000 0.696 1218 G HN 0.763 nan 8.290 nan 0.000 0.508 1219 E N 0.530 120.703 120.200 -0.045 0.000 2.174 1219 E HA 0.677 5.009 4.350 -0.030 0.000 0.282 1219 E C 0.769 177.324 176.600 -0.074 0.000 0.992 1219 E CA -0.123 56.225 56.400 -0.086 0.000 0.803 1219 E CB 0.896 30.494 29.700 -0.171 0.000 1.090 1219 E HN 0.891 nan 8.360 nan 0.000 0.396 1220 A N 4.906 127.699 122.820 -0.044 0.000 2.770 1220 A HA 0.079 4.381 4.320 -0.030 0.000 0.292 1220 A C 0.815 178.384 177.584 -0.025 0.000 1.604 1220 A CA -0.176 51.852 52.037 -0.016 0.000 1.271 1220 A CB -0.214 18.788 19.000 0.002 0.000 1.075 1220 A HN 0.637 nan 8.150 nan 0.000 0.573 1221 V N 3.215 123.108 119.914 -0.036 0.000 2.535 1221 V HA -0.091 4.011 4.120 -0.030 0.000 0.246 1221 V C 2.672 178.827 176.094 0.102 0.000 1.045 1221 V CA 2.209 64.501 62.300 -0.014 0.000 1.058 1221 V CB -0.738 31.041 31.823 -0.072 0.000 0.689 1221 V HN 0.888 nan 8.190 nan 0.000 0.461 1222 G N 0.251 109.100 108.800 0.081 0.000 2.476 1222 G HA2 -0.278 3.664 3.960 -0.030 0.000 0.218 1222 G HA3 -0.278 3.664 3.960 -0.030 0.000 0.218 1222 G C 1.492 176.448 174.900 0.093 0.000 1.164 1222 G CA 1.438 46.592 45.100 0.090 0.000 0.768 1222 G HN 0.482 nan 8.290 nan 0.000 0.560 1223 I N 0.048 120.666 120.570 0.079 0.000 2.406 1223 I HA -0.020 4.132 4.170 -0.030 0.000 0.249 1223 I C 2.678 178.828 176.117 0.055 0.000 1.122 1223 I CA 0.266 61.605 61.300 0.064 0.000 1.431 1223 I CB -0.072 37.959 38.000 0.052 0.000 1.087 1223 I HN 0.006 nan 8.210 nan 0.000 0.424 1224 V N 0.820 120.771 119.914 0.063 0.000 2.688 1224 V HA -0.300 3.802 4.120 -0.030 0.000 0.256 1224 V C 2.433 178.560 176.094 0.054 0.000 1.084 1224 V CA 1.881 64.215 62.300 0.057 0.000 1.103 1224 V CB -0.957 30.909 31.823 0.071 0.000 0.688 1224 V HN 0.500 nan 8.190 nan 0.000 0.480 1225 A N -0.349 122.567 122.820 0.161 0.000 1.871 1225 A HA 0.170 4.472 4.320 -0.030 0.000 0.211 1225 A C 2.416 180.017 177.584 0.027 0.000 1.207 1225 A CA 1.181 53.353 52.037 0.224 0.000 0.620 1225 A CB -0.783 18.432 19.000 0.359 0.000 0.860 1225 A HN 0.514 nan 8.150 nan 0.000 0.450 1226 A N -0.628 122.214 122.820 0.037 0.000 2.042 1226 A HA -0.263 4.039 4.320 -0.030 0.000 0.222 1226 A C 2.089 179.664 177.584 -0.016 0.000 1.167 1226 A CA 2.005 54.037 52.037 -0.009 0.000 0.649 1226 A CB -0.491 18.515 19.000 0.010 0.000 0.809 1226 A HN 0.678 nan 8.150 nan 0.000 0.457 1227 Q N -0.518 119.276 119.800 -0.010 0.000 2.036 1227 Q HA -0.086 4.236 4.340 -0.030 0.000 0.195 1227 Q C 2.459 178.451 176.000 -0.013 0.000 0.971 1227 Q CA 1.421 57.231 55.803 0.012 0.000 0.826 1227 Q CB -0.089 28.673 28.738 0.041 0.000 0.896 1227 Q HN 0.811 nan 8.270 nan 0.000 0.449 1228 S N 0.707 116.332 115.700 -0.125 0.000 2.423 1228 S HA -0.171 4.282 4.470 -0.030 0.000 0.238 1228 S C 1.711 176.266 174.600 -0.075 0.000 1.028 1228 S CA 1.145 59.230 58.200 -0.193 0.000 1.000 1228 S CB -0.399 62.514 63.200 -0.478 0.000 0.797 1228 S HN 0.321 nan 8.310 nan 0.000 0.487 1229 I N 1.131 121.679 120.570 -0.035 0.000 3.427 1229 I HA 0.138 4.291 4.170 -0.030 0.000 0.288 1229 I C 2.463 178.670 176.117 0.150 0.000 1.249 1229 I CA 0.573 61.908 61.300 0.058 0.000 1.421 1229 I CB -0.449 37.553 38.000 0.003 0.000 1.086 1229 I HN 0.432 nan 8.210 nan 0.000 0.448 1230 G N 0.216 109.070 108.800 0.090 0.000 2.623 1230 G HA2 -0.130 3.813 3.960 -0.030 0.000 0.214 1230 G HA3 -0.130 3.813 3.960 -0.030 0.000 0.214 1230 G C 1.499 176.477 174.900 0.130 0.000 1.138 1230 G CA 0.083 45.249 45.100 0.110 0.000 0.794 1230 G HN 0.245 nan 8.290 nan 0.000 0.535 1231 E N 0.910 121.192 120.200 0.137 0.000 2.057 1231 E HA 0.001 4.334 4.350 -0.030 0.000 0.190 1231 E C -0.258 176.415 176.600 0.121 0.000 0.969 1231 E CA 0.404 56.891 56.400 0.144 0.000 0.812 1231 E CB -0.251 29.569 29.700 0.200 0.000 0.777 1231 E HN 0.212 nan 8.360 nan 0.000 0.455 1232 P HA -0.072 nan 4.420 nan 0.000 0.219 1232 P C 1.224 178.529 177.300 0.008 0.000 1.146 1232 P CA 1.764 64.933 63.100 0.116 0.000 0.808 1232 P CB -0.353 31.508 31.700 0.269 0.000 0.779 1233 G N -0.722 108.125 108.800 0.079 0.000 2.475 1233 G HA2 -0.263 3.680 3.960 -0.030 0.000 0.220 1233 G HA3 -0.263 3.680 3.960 -0.030 0.000 0.220 1233 G C 1.301 176.181 174.900 -0.033 0.000 1.125 1233 G CA 1.459 46.553 45.100 -0.009 0.000 0.755 1233 G HN 0.218 nan 8.290 nan 0.000 0.565 1234 T N 0.087 114.647 114.554 0.010 0.000 2.962 1234 T HA -0.077 4.255 4.350 -0.030 0.000 0.270 1234 T C 2.245 176.928 174.700 -0.029 0.000 1.088 1234 T CA 1.356 63.457 62.100 0.001 0.000 1.127 1234 T CB -0.070 68.816 68.868 0.030 0.000 0.883 1234 T HN 0.364 nan 8.240 nan 0.000 0.493 1235 Q N -0.133 119.639 119.800 -0.046 0.000 2.245 1235 Q HA 0.187 4.510 4.340 -0.030 0.000 0.201 1235 Q C 0.288 176.231 176.000 -0.097 0.000 0.955 1235 Q CA 0.291 56.058 55.803 -0.059 0.000 0.870 1235 Q CB -0.123 28.583 28.738 -0.053 0.000 0.945 1235 Q HN 0.508 nan 8.270 nan 0.000 0.461 1236 L N 1.421 122.557 121.223 -0.146 0.000 2.426 1236 L HA 0.098 4.420 4.340 -0.030 0.000 0.271 1236 L C 0.467 177.255 176.870 -0.136 0.000 1.169 1236 L CA -0.412 54.324 54.840 -0.174 0.000 0.836 1236 L CB 0.434 42.340 42.059 -0.255 0.000 1.112 1236 L HN 0.047 nan 8.230 nan 0.000 0.465 1237 T N 2.936 117.413 114.554 -0.127 0.000 2.855 1237 T HA 0.045 4.378 4.350 -0.030 0.000 0.322 1237 T C 0.416 175.021 174.700 -0.158 0.000 1.088 1237 T CA 0.120 62.150 62.100 -0.116 0.000 1.104 1237 T CB 0.573 69.382 68.868 -0.098 0.000 0.996 1237 T HN 0.449 nan 8.240 nan 0.000 0.549 1238 M N 2.137 121.645 119.600 -0.154 0.000 2.850 1238 M HA 0.234 4.697 4.480 -0.030 0.000 0.288 1238 M C 0.738 176.934 176.300 -0.173 0.000 1.450 1238 M CA -0.209 54.957 55.300 -0.224 0.000 0.555 1238 M CB 0.453 32.927 32.600 -0.210 0.000 1.507 1238 M HN 0.618 nan 8.290 nan 0.000 0.415 1239 R N 0.355 120.767 120.500 -0.148 0.000 2.052 1239 R HA 0.143 4.465 4.340 -0.030 0.000 0.224 1239 R C 0.077 176.338 176.300 -0.066 0.000 1.165 1239 R CA 1.416 57.466 56.100 -0.084 0.000 0.939 1239 R CB 0.333 30.598 30.300 -0.059 0.000 0.834 1239 R HN 0.485 nan 8.270 nan 0.000 0.435 1240 T N -1.685 112.825 114.554 -0.073 0.000 3.071 1240 T HA 0.300 4.632 4.350 -0.030 0.000 0.311 1240 T C 0.125 174.823 174.700 -0.003 0.000 1.042 1240 T CA -0.740 61.369 62.100 0.015 0.000 1.028 1240 T CB 1.291 70.200 68.868 0.070 0.000 1.068 1240 T HN -0.089 nan 8.240 nan 0.000 0.451 1241 F N 1.019 120.980 119.950 0.019 0.000 1.990 1241 F HA -0.107 4.403 4.527 -0.029 0.000 0.297 1241 F C 2.052 177.842 175.800 -0.017 0.000 1.199 1241 F CA 1.328 59.327 58.000 -0.002 0.000 1.184 1241 F CB -0.418 38.597 39.000 0.025 0.000 0.956 1241 F HN 0.615 nan 8.300 nan 0.000 0.503 1242 H N 1.727 120.961 119.070 0.274 0.000 3.432 1242 H HA 0.068 4.606 4.556 -0.029 0.000 0.252 1242 H C 0.214 175.604 175.328 0.103 0.000 1.397 1242 H CA 0.128 56.268 56.048 0.153 0.000 1.549 1242 H CB -0.953 28.885 29.762 0.127 0.000 1.699 1242 H HN 0.194 nan 8.280 nan 0.000 0.523 1243 T N 1.003 115.630 114.554 0.121 0.000 2.724 1243 T HA 0.253 4.585 4.350 -0.030 0.000 0.324 1243 T C 1.205 175.942 174.700 0.061 0.000 1.071 1243 T CA 0.160 62.296 62.100 0.059 0.000 1.061 1243 T CB 0.721 69.594 68.868 0.008 0.000 0.990 1243 T HN 0.874 nan 8.240 nan 0.000 0.543 1244 G N -0.400 108.421 108.800 0.033 0.000 2.752 1244 G HA2 0.297 4.239 3.960 -0.030 0.000 0.234 1244 G HA3 0.297 4.239 3.960 -0.030 0.000 0.234 1244 G C -0.097 174.827 174.900 0.039 0.000 1.367 1244 G CA -0.370 44.748 45.100 0.029 0.000 0.879 1244 G HN 1.442 nan 8.290 nan 0.000 0.563 1245 G N -2.243 106.576 108.800 0.031 0.000 2.667 1245 G HA2 0.698 4.640 3.960 -0.030 0.000 0.298 1245 G HA3 0.698 4.640 3.960 -0.030 0.000 0.298 1245 G C -0.528 174.388 174.900 0.028 0.000 1.377 1245 G CA 0.150 45.269 45.100 0.032 0.000 0.964 1245 G HN 1.449 nan 8.290 nan 0.000 0.493 1246 V N 0.896 120.827 119.914 0.028 0.000 2.493 1246 V HA 0.430 4.532 4.120 -0.030 0.000 0.292 1246 V C 0.640 176.745 176.094 0.018 0.000 1.016 1246 V CA 1.351 63.665 62.300 0.023 0.000 1.097 1246 V CB 0.288 32.124 31.823 0.022 0.000 0.947 1246 V HN 1.450 nan 8.190 nan 0.000 0.479 1247 A N 4.527 127.357 122.820 0.016 0.000 2.562 1247 A HA 0.628 4.931 4.320 -0.030 0.000 0.305 1247 A C 0.579 178.172 177.584 0.014 0.000 1.059 1247 A CA 0.028 52.072 52.037 0.013 0.000 0.835 1247 A CB 0.470 19.477 19.000 0.011 0.000 1.299 1247 A HN 1.686 nan 8.150 nan 0.000 0.392 1248 G N 1.586 110.394 108.800 0.013 0.000 2.714 1248 G HA2 0.126 4.068 3.960 -0.030 0.000 0.368 1248 G HA3 0.126 4.068 3.960 -0.030 0.000 0.368 1248 G C 0.938 175.847 174.900 0.016 0.000 1.034 1248 G CA 1.841 46.950 45.100 0.014 0.000 0.867 1248 G HN 2.624 nan 8.290 nan 0.000 0.751 1249 A N -0.474 122.356 122.820 0.016 0.000 2.763 1249 A HA 0.817 5.120 4.320 -0.030 0.000 0.325 1249 A C 0.090 177.685 177.584 0.018 0.000 1.209 1249 A CA 0.977 53.024 52.037 0.017 0.000 0.764 1249 A CB 0.802 19.812 19.000 0.017 0.000 1.120 1249 A HN 2.112 nan 8.150 nan 0.000 0.463 1250 A N 1.698 124.530 122.820 0.019 0.000 2.316 1250 A HA 0.539 4.842 4.320 -0.030 0.000 0.311 1250 A C 0.250 177.846 177.584 0.020 0.000 1.339 1250 A CA -0.269 51.779 52.037 0.019 0.000 0.960 1250 A CB 0.108 19.120 19.000 0.020 0.000 1.152 1250 A HN 0.639 nan 8.150 nan 0.000 0.547 1251 D N 1.589 121.999 120.400 0.018 0.000 2.201 1251 D HA 0.139 4.762 4.640 -0.030 0.000 0.209 1251 D C 0.973 177.285 176.300 0.020 0.000 0.961 1251 D CA 1.213 55.224 54.000 0.019 0.000 0.861 1251 D CB 0.148 40.957 40.800 0.016 0.000 0.997 1251 D HN 0.717 nan 8.370 nan 0.000 0.486 1252 I N -2.543 118.037 120.570 0.017 0.000 3.869 1252 I HA 0.436 4.589 4.170 -0.030 0.000 0.260 1252 I C -0.142 175.983 176.117 0.014 0.000 1.160 1252 I CA -0.943 60.368 61.300 0.018 0.000 1.248 1252 I CB 1.519 39.528 38.000 0.015 0.000 1.393 1252 I HN -0.317 nan 8.210 nan 0.000 0.473 1253 T N 0.598 115.155 114.554 0.006 0.000 3.011 1253 T HA 0.387 4.719 4.350 -0.030 0.000 0.303 1253 T C -1.034 173.652 174.700 -0.024 0.000 0.997 1253 T CA -0.581 61.515 62.100 -0.006 0.000 1.007 1253 T CB 1.434 70.303 68.868 0.002 0.000 1.017 1253 T HN 0.515 nan 8.240 nan 0.000 0.443 1254 Q N 1.961 121.739 119.800 -0.037 0.000 2.297 1254 Q HA 0.764 5.086 4.340 -0.030 0.000 0.269 1254 Q C 0.757 176.709 176.000 -0.080 0.000 1.051 1254 Q CA 0.521 56.293 55.803 -0.051 0.000 0.869 1254 Q CB 1.551 30.263 28.738 -0.044 0.000 1.346 1254 Q HN 1.427 nan 8.270 nan 0.000 0.457 1255 G N 0.433 109.176 108.800 -0.095 0.000 2.741 1255 G HA2 -0.285 3.658 3.960 -0.030 0.000 0.222 1255 G HA3 -0.285 3.658 3.960 -0.030 0.000 0.222 1255 G C 0.394 175.210 174.900 -0.140 0.000 1.364 1255 G CA -0.081 44.940 45.100 -0.132 0.000 0.866 1255 G HN 0.544 nan 8.290 nan 0.000 0.555 1256 L N 1.647 122.768 121.223 -0.170 0.000 2.064 1256 L HA -0.022 4.300 4.340 -0.030 0.000 0.216 1256 L C 0.574 177.348 176.870 -0.159 0.000 1.077 1256 L CA 3.598 58.353 54.840 -0.142 0.000 0.766 1256 L CB -1.307 40.642 42.059 -0.183 0.000 0.890 1256 L HN 0.514 nan 8.230 nan 0.000 0.435 1257 P HA -0.238 nan 4.420 nan 0.000 0.218 1257 P C 1.608 178.859 177.300 -0.081 0.000 1.152 1257 P CA 1.753 64.689 63.100 -0.275 0.000 0.857 1257 P CB -0.092 31.458 31.700 -0.251 0.000 0.787 1258 R N -0.392 120.071 120.500 -0.061 0.000 2.062 1258 R HA -0.060 4.262 4.340 -0.030 0.000 0.226 1258 R C 1.949 178.255 176.300 0.009 0.000 1.125 1258 R CA 1.146 57.228 56.100 -0.028 0.000 0.966 1258 R CB -0.772 29.507 30.300 -0.035 0.000 0.861 1258 R HN -0.040 nan 8.270 nan 0.000 0.433 1259 V N 1.912 121.860 119.914 0.057 0.000 2.439 1259 V HA -0.323 3.780 4.120 -0.030 0.000 0.253 1259 V C 2.395 178.646 176.094 0.261 0.000 1.074 1259 V CA 1.464 63.859 62.300 0.159 0.000 1.076 1259 V CB -0.581 31.450 31.823 0.347 0.000 0.664 1259 V HN 0.337 nan 8.190 nan 0.000 0.461 1260 I N -0.015 120.700 120.570 0.241 0.000 2.110 1260 I HA -0.215 3.938 4.170 -0.030 0.000 0.236 1260 I C 2.599 178.814 176.117 0.164 0.000 1.068 1260 I CA 1.791 63.270 61.300 0.299 0.000 1.333 1260 I CB -1.125 37.106 38.000 0.384 0.000 1.054 1260 I HN 0.434 nan 8.210 nan 0.000 0.402 1261 E N 0.385 120.604 120.200 0.032 0.000 2.187 1261 E HA -0.267 4.065 4.350 -0.030 0.000 0.199 1261 E C 2.177 178.778 176.600 0.002 0.000 1.004 1261 E CA 1.351 57.725 56.400 -0.043 0.000 0.813 1261 E CB 0.101 29.761 29.700 -0.068 0.000 0.736 1261 E HN 0.206 nan 8.360 nan 0.000 0.468 1262 L N -0.843 120.361 121.223 -0.031 0.000 2.049 1262 L HA -0.034 4.289 4.340 -0.030 0.000 0.203 1262 L C 1.957 178.767 176.870 -0.101 0.000 1.074 1262 L CA 1.448 56.208 54.840 -0.134 0.000 0.749 1262 L CB -0.680 41.190 42.059 -0.315 0.000 0.907 1262 L HN 0.168 nan 8.230 nan 0.000 0.439 1263 F N -0.452 119.531 119.950 0.055 0.000 2.333 1263 F HA -0.139 4.371 4.527 -0.030 0.000 0.300 1263 F C 0.953 176.797 175.800 0.073 0.000 1.083 1263 F CA 0.523 58.562 58.000 0.066 0.000 1.395 1263 F CB 0.094 39.147 39.000 0.087 0.000 1.056 1263 F HN 0.074 nan 8.300 nan 0.000 0.529 1264 E N 0.562 120.906 120.200 0.240 0.000 2.546 1264 E HA 0.381 4.713 4.350 -0.030 0.000 0.227 1264 E C -0.331 176.343 176.600 0.124 0.000 1.009 1264 E CA -0.425 56.082 56.400 0.179 0.000 0.813 1264 E CB 0.667 30.473 29.700 0.177 0.000 1.269 1264 E HN 0.130 nan 8.360 nan 0.000 0.432 1265 A N 3.986 126.861 122.820 0.092 0.000 2.519 1265 A HA -0.019 4.283 4.320 -0.030 0.000 0.275 1265 A C 0.103 177.691 177.584 0.008 0.000 1.082 1265 A CA 0.796 52.830 52.037 -0.006 0.000 0.841 1265 A CB -0.094 18.866 19.000 -0.067 0.000 0.984 1265 A HN 0.548 nan 8.150 nan 0.000 0.531 1266 R N 0.525 121.047 120.500 0.036 0.000 2.905 1266 R HA 0.536 4.858 4.340 -0.030 0.000 0.260 1266 R C -0.226 176.132 176.300 0.097 0.000 1.086 1266 R CA -1.237 54.942 56.100 0.131 0.000 0.978 1266 R CB 0.931 31.409 30.300 0.297 0.000 1.215 1266 R HN 0.610 nan 8.270 nan 0.000 0.480 1267 R N 1.830 122.415 120.500 0.141 0.000 2.402 1267 R HA 0.149 4.472 4.340 -0.030 0.000 0.331 1267 R C -2.238 174.136 176.300 0.124 0.000 1.040 1267 R CA -1.059 55.106 56.100 0.108 0.000 0.980 1267 R CB 0.017 30.373 30.300 0.094 0.000 0.967 1267 R HN 0.301 nan 8.270 nan 0.000 0.440 1268 P HA 0.063 nan 4.420 nan 0.000 0.282 1268 P C 0.263 177.613 177.300 0.084 0.000 1.286 1268 P CA -0.461 62.693 63.100 0.090 0.000 0.777 1268 P CB 0.679 32.416 31.700 0.062 0.000 1.184 1269 K N -0.283 120.161 120.400 0.074 0.000 1.975 1269 K HA 0.064 4.366 4.320 -0.030 0.000 0.210 1269 K C 0.712 177.337 176.600 0.041 0.000 1.041 1269 K CA 1.259 57.583 56.287 0.060 0.000 0.942 1269 K CB -0.729 31.803 32.500 0.054 0.000 0.729 1269 K HN 0.474 nan 8.250 nan 0.000 0.439 1270 A N 2.974 125.813 122.820 0.033 0.000 2.540 1270 A HA 0.172 4.474 4.320 -0.030 0.000 0.340 1270 A C -0.089 177.503 177.584 0.013 0.000 1.424 1270 A CA -0.509 51.540 52.037 0.021 0.000 0.940 1270 A CB 0.190 19.200 19.000 0.018 0.000 1.149 1270 A HN 0.140 nan 8.150 nan 0.000 0.505 1271 K N 2.295 122.700 120.400 0.008 0.000 2.326 1271 K HA 0.470 4.773 4.320 -0.030 0.000 0.275 1271 K C -0.242 176.340 176.600 -0.030 0.000 1.018 1271 K CA 0.102 56.384 56.287 -0.008 0.000 0.962 1271 K CB 0.780 33.276 32.500 -0.006 0.000 0.953 1271 K HN 0.604 nan 8.250 nan 0.000 0.475 1272 A N 4.198 126.988 122.820 -0.051 0.000 2.258 1272 A HA 0.275 4.577 4.320 -0.030 0.000 0.316 1272 A C -0.262 177.245 177.584 -0.128 0.000 1.279 1272 A CA -0.850 51.141 52.037 -0.077 0.000 0.876 1272 A CB 0.640 19.598 19.000 -0.069 0.000 1.170 1272 A HN 0.650 nan 8.150 nan 0.000 0.520 1273 V N 2.472 122.283 119.914 -0.170 0.000 2.434 1273 V HA 0.340 4.442 4.120 -0.030 0.000 0.281 1273 V C 0.161 176.034 176.094 -0.368 0.000 1.005 1273 V CA -0.409 61.712 62.300 -0.297 0.000 1.089 1273 V CB -1.627 29.960 31.823 -0.394 0.000 0.978 1273 V HN 0.566 nan 8.190 nan 0.000 0.474 1274 I N 3.546 123.937 120.570 -0.299 0.000 2.945 1274 I HA 0.449 4.601 4.170 -0.030 0.000 0.292 1274 I C 0.849 176.803 176.117 -0.272 0.000 1.093 1274 I CA -0.174 60.986 61.300 -0.233 0.000 1.336 1274 I CB 0.600 38.509 38.000 -0.152 0.000 1.435 1274 I HN 0.657 nan 8.210 nan 0.000 0.593 1275 S N 1.413 117.050 115.700 -0.104 0.000 2.415 1275 S HA 0.275 4.727 4.470 -0.030 0.000 0.313 1275 S C 0.729 175.387 174.600 0.097 0.000 1.067 1275 S CA -0.537 57.714 58.200 0.085 0.000 1.099 1275 S CB -0.209 63.025 63.200 0.057 0.000 0.991 1275 S HN 0.660 nan 8.310 nan 0.000 0.491 1276 E N 3.679 124.005 120.200 0.211 0.000 2.204 1276 E HA 0.015 4.347 4.350 -0.030 0.000 0.195 1276 E C 0.113 176.745 176.600 0.052 0.000 0.990 1276 E CA 0.845 57.317 56.400 0.120 0.000 0.821 1276 E CB 0.107 29.902 29.700 0.159 0.000 0.750 1276 E HN 0.664 nan 8.360 nan 0.000 0.477 1277 I N 1.944 122.525 120.570 0.018 0.000 2.525 1277 I HA 0.102 4.254 4.170 -0.030 0.000 0.301 1277 I C -0.671 175.343 176.117 -0.172 0.000 0.992 1277 I CA -0.959 60.277 61.300 -0.108 0.000 1.162 1277 I CB 1.442 39.315 38.000 -0.212 0.000 1.332 1277 I HN -0.080 nan 8.210 nan 0.000 0.458 1278 D N 5.181 125.432 120.400 -0.249 0.000 2.392 1278 D HA 0.588 5.210 4.640 -0.030 0.000 0.228 1278 D C 0.003 176.001 176.300 -0.503 0.000 1.074 1278 D CA -0.292 53.475 54.000 -0.388 0.000 0.838 1278 D CB 2.033 42.643 40.800 -0.317 0.000 1.067 1278 D HN 0.758 nan 8.370 nan 0.000 0.511 1279 G N 0.464 108.899 108.800 -0.609 0.000 2.696 1279 G HA2 0.410 4.352 3.960 -0.030 0.000 0.151 1279 G HA3 0.410 4.352 3.960 -0.030 0.000 0.151 1279 G C -1.447 173.335 174.900 -0.196 0.000 1.197 1279 G CA -0.405 44.469 45.100 -0.378 0.000 1.053 1279 G HN 0.356 nan 8.290 nan 0.000 0.546 1280 V N 0.147 120.051 119.914 -0.017 0.000 2.815 1280 V HA 0.673 4.775 4.120 -0.030 0.000 0.314 1280 V C 0.041 176.157 176.094 0.037 0.000 1.064 1280 V CA -0.661 61.676 62.300 0.062 0.000 0.952 1280 V CB 1.785 33.666 31.823 0.096 0.000 1.020 1280 V HN 0.565 nan 8.190 nan 0.000 0.439 1281 V N 3.840 123.787 119.914 0.056 0.000 2.617 1281 V HA 0.621 4.723 4.120 -0.030 0.000 0.298 1281 V C -0.080 176.051 176.094 0.063 0.000 1.048 1281 V CA -0.653 61.687 62.300 0.067 0.000 0.964 1281 V CB 1.545 33.405 31.823 0.062 0.000 1.004 1281 V HN 0.850 nan 8.190 nan 0.000 0.466 1282 R N 3.500 124.047 120.500 0.078 0.000 2.522 1282 R HA 0.655 4.978 4.340 -0.030 0.000 0.283 1282 R C -1.439 174.837 176.300 -0.041 0.000 1.074 1282 R CA -0.499 55.611 56.100 0.017 0.000 0.925 1282 R CB 2.016 32.327 30.300 0.017 0.000 1.205 1282 R HN 0.612 nan 8.270 nan 0.000 0.436 1283 I N 1.222 121.745 120.570 -0.078 0.000 2.982 1283 I HA 0.530 4.682 4.170 -0.030 0.000 0.312 1283 I C -0.149 175.874 176.117 -0.156 0.000 1.041 1283 I CA -1.020 60.224 61.300 -0.092 0.000 1.053 1283 I CB 1.909 39.891 38.000 -0.030 0.000 1.248 1283 I HN 0.375 nan 8.210 nan 0.000 0.471 1284 E N 2.136 122.255 120.200 -0.134 0.000 2.372 1284 E HA 0.129 4.461 4.350 -0.030 0.000 0.279 1284 E C -0.697 175.863 176.600 -0.067 0.000 0.946 1284 E CA -0.389 55.933 56.400 -0.131 0.000 0.769 1284 E CB 2.203 31.778 29.700 -0.208 0.000 1.230 1284 E HN 0.665 nan 8.360 nan 0.000 0.442 1285 E N 0.851 121.019 120.200 -0.053 0.000 2.479 1285 E HA 0.054 4.386 4.350 -0.030 0.000 0.193 1285 E C 0.016 176.604 176.600 -0.020 0.000 1.049 1285 E CA 0.094 56.477 56.400 -0.030 0.000 0.870 1285 E CB 0.026 29.711 29.700 -0.026 0.000 0.944 1285 E HN 0.266 nan 8.360 nan 0.000 0.492 1286 T N 2.103 116.644 114.554 -0.021 0.000 2.663 1286 T HA -0.038 4.294 4.350 -0.030 0.000 0.325 1286 T C 1.076 175.775 174.700 -0.002 0.000 1.059 1286 T CA 0.294 62.388 62.100 -0.009 0.000 1.039 1286 T CB 0.792 69.657 68.868 -0.006 0.000 0.996 1286 T HN 0.171 nan 8.240 nan 0.000 0.539 1287 E N 0.518 120.720 120.200 0.002 0.000 2.012 1287 E HA -0.164 4.168 4.350 -0.030 0.000 0.197 1287 E C 2.258 178.863 176.600 0.009 0.000 1.007 1287 E CA 1.265 57.668 56.400 0.005 0.000 0.816 1287 E CB -0.013 29.690 29.700 0.005 0.000 0.762 1287 E HN 0.643 nan 8.360 nan 0.000 0.451 1288 E N 0.477 120.685 120.200 0.013 0.000 2.016 1288 E HA -0.048 4.284 4.350 -0.030 0.000 0.190 1288 E C 0.013 176.626 176.600 0.021 0.000 0.985 1288 E CA 0.812 57.222 56.400 0.017 0.000 0.802 1288 E CB 0.339 30.050 29.700 0.018 0.000 0.762 1288 E HN 0.019 nan 8.360 nan 0.000 0.448 1289 K N 0.598 121.014 120.400 0.027 0.000 2.324 1289 K HA 0.350 4.652 4.320 -0.030 0.000 0.253 1289 K C -0.712 175.912 176.600 0.040 0.000 0.932 1289 K CA -0.548 55.760 56.287 0.036 0.000 0.799 1289 K CB 2.477 35.004 32.500 0.046 0.000 1.154 1289 K HN -0.018 nan 8.250 nan 0.000 0.425 1290 L N 1.458 122.705 121.223 0.041 0.000 2.474 1290 L HA 0.175 4.497 4.340 -0.030 0.000 0.259 1290 L C -0.211 176.707 176.870 0.081 0.000 1.232 1290 L CA 0.526 55.392 54.840 0.042 0.000 0.821 1290 L CB 0.834 42.916 42.059 0.038 0.000 1.108 1290 L HN 0.867 nan 8.230 nan 0.000 0.495 1291 S N 0.274 116.026 115.700 0.087 0.000 2.592 1291 S HA 0.500 4.952 4.470 -0.030 0.000 0.275 1291 S C -1.129 173.603 174.600 0.220 0.000 1.169 1291 S CA -0.950 57.371 58.200 0.201 0.000 0.958 1291 S CB 1.228 64.587 63.200 0.265 0.000 1.095 1291 S HN 0.195 nan 8.310 nan 0.000 0.471 1292 V N 3.742 123.867 119.914 0.352 0.000 2.370 1292 V HA 0.566 4.669 4.120 -0.030 0.000 0.283 1292 V C -1.165 175.264 176.094 0.559 0.000 1.023 1292 V CA -0.450 62.059 62.300 0.348 0.000 0.857 1292 V CB 0.569 32.545 31.823 0.256 0.000 0.985 1292 V HN 0.826 nan 8.190 nan 0.000 0.443 1293 F N 3.920 123.889 119.950 0.033 0.000 2.411 1293 F HA 0.580 5.089 4.527 -0.030 0.000 0.352 1293 F C 0.135 175.917 175.800 -0.030 0.000 1.123 1293 F CA -1.190 56.795 58.000 -0.024 0.000 1.044 1293 F CB 1.865 40.849 39.000 -0.027 0.000 1.135 1293 F HN 0.157 nan 8.300 nan 0.000 0.461 1294 V N 4.365 124.295 119.914 0.027 0.000 2.370 1294 V HA 0.495 4.598 4.120 -0.030 0.000 0.283 1294 V C -0.465 175.564 176.094 -0.109 0.000 1.023 1294 V CA -0.673 61.608 62.300 -0.032 0.000 0.857 1294 V CB 1.302 33.096 31.823 -0.047 0.000 0.985 1294 V HN 0.787 nan 8.190 nan 0.000 0.443 1295 E N 3.084 123.232 120.200 -0.087 0.000 2.390 1295 E HA 0.729 5.061 4.350 -0.030 0.000 0.277 1295 E C -1.001 175.523 176.600 -0.127 0.000 0.939 1295 E CA -0.772 55.553 56.400 -0.124 0.000 0.769 1295 E CB 2.341 32.021 29.700 -0.033 0.000 1.251 1295 E HN 0.478 nan 8.360 nan 0.000 0.450 1296 S N 0.014 115.599 115.700 -0.191 0.000 2.715 1296 S HA 0.151 4.603 4.470 -0.030 0.000 0.307 1296 S C 0.831 175.387 174.600 -0.073 0.000 1.119 1296 S CA -0.039 58.079 58.200 -0.137 0.000 0.937 1296 S CB 1.360 64.417 63.200 -0.238 0.000 1.150 1296 S HN 0.735 nan 8.310 nan 0.000 0.521 1297 E N 0.777 120.962 120.200 -0.024 0.000 2.273 1297 E HA -0.050 4.282 4.350 -0.030 0.000 0.198 1297 E C 1.469 178.086 176.600 0.029 0.000 1.002 1297 E CA 1.432 57.836 56.400 0.007 0.000 0.828 1297 E CB -0.725 28.985 29.700 0.016 0.000 0.747 1297 E HN 0.643 nan 8.360 nan 0.000 0.491 1298 G N 1.036 109.848 108.800 0.018 0.000 2.607 1298 G HA2 0.169 4.112 3.960 -0.030 0.000 0.215 1298 G HA3 0.169 4.112 3.960 -0.030 0.000 0.215 1298 G C 0.525 175.584 174.900 0.265 0.000 1.275 1298 G CA 0.858 46.051 45.100 0.154 0.000 0.842 1298 G HN 0.383 nan 8.290 nan 0.000 0.555 1299 F N -1.768 118.164 119.950 -0.030 0.000 2.692 1299 F HA 0.806 5.315 4.527 -0.029 0.000 0.320 1299 F C -0.605 175.156 175.800 -0.066 0.000 1.123 1299 F CA -1.374 56.596 58.000 -0.048 0.000 0.961 1299 F CB 1.514 40.476 39.000 -0.063 0.000 1.383 1299 F HN 0.026 nan 8.300 nan 0.000 0.483 1300 S N 0.327 116.073 115.700 0.077 0.000 2.566 1300 S HA 0.722 5.174 4.470 -0.030 0.000 0.298 1300 S C -1.425 173.094 174.600 -0.135 0.000 1.083 1300 S CA -0.860 57.296 58.200 -0.075 0.000 0.978 1300 S CB 1.968 65.142 63.200 -0.045 0.000 1.073 1300 S HN 0.625 nan 8.310 nan 0.000 0.491 1301 K N 1.718 121.930 120.400 -0.314 0.000 2.482 1301 K HA 0.297 4.599 4.320 -0.030 0.000 0.251 1301 K C -0.917 175.205 176.600 -0.797 0.000 0.936 1301 K CA -0.473 55.525 56.287 -0.481 0.000 0.791 1301 K CB 1.439 33.659 32.500 -0.465 0.000 1.213 1301 K HN 0.664 nan 8.250 nan 0.000 0.428 1302 E N 3.624 123.325 120.200 -0.831 0.000 2.366 1302 E HA 0.101 4.433 4.350 -0.030 0.000 0.266 1302 E C -1.065 175.237 176.600 -0.496 0.000 1.051 1302 E CA -0.075 55.793 56.400 -0.886 0.000 0.884 1302 E CB 0.579 29.883 29.700 -0.660 0.000 1.006 1302 E HN 0.642 nan 8.360 nan 0.000 0.417 1303 Y N 2.958 123.216 120.300 -0.070 0.000 2.331 1303 Y HA 0.117 4.650 4.550 -0.029 0.000 0.326 1303 Y C -0.101 175.842 175.900 0.071 0.000 1.020 1303 Y CA -1.350 56.757 58.100 0.011 0.000 1.136 1303 Y CB 1.442 39.916 38.460 0.023 0.000 1.157 1303 Y HN 0.360 nan 8.280 nan 0.000 0.444 1304 K N 5.148 125.689 120.400 0.234 0.000 2.338 1304 K HA 0.218 4.520 4.320 -0.030 0.000 0.290 1304 K C -0.944 175.722 176.600 0.109 0.000 1.069 1304 K CA 0.065 56.442 56.287 0.151 0.000 0.941 1304 K CB 1.040 33.604 32.500 0.107 0.000 1.023 1304 K HN 0.713 nan 8.250 nan 0.000 0.477 1305 L N 5.296 126.578 121.223 0.100 0.000 2.435 1305 L HA 0.265 4.588 4.340 -0.030 0.000 0.253 1305 L C -2.281 174.617 176.870 0.047 0.000 1.087 1305 L CA -1.927 52.949 54.840 0.060 0.000 0.950 1305 L CB 1.539 43.635 42.059 0.062 0.000 1.304 1305 L HN 0.366 nan 8.230 nan 0.000 0.453 1306 P HA -0.078 nan 4.420 nan 0.000 0.270 1306 P C 0.659 177.975 177.300 0.025 0.000 1.216 1306 P CA 0.093 63.211 63.100 0.031 0.000 0.788 1306 P CB 0.575 32.292 31.700 0.027 0.000 0.883 1307 K N 1.374 121.788 120.400 0.023 0.000 2.137 1307 K HA -0.315 3.987 4.320 -0.030 0.000 0.216 1307 K C 1.140 177.750 176.600 0.017 0.000 1.052 1307 K CA 2.260 58.559 56.287 0.019 0.000 0.939 1307 K CB -0.790 31.721 32.500 0.017 0.000 0.724 1307 K HN 0.442 nan 8.250 nan 0.000 0.465 1308 E N 0.941 121.151 120.200 0.016 0.000 2.358 1308 E HA 0.083 4.415 4.350 -0.030 0.000 0.195 1308 E C 0.323 176.930 176.600 0.012 0.000 1.010 1308 E CA 0.440 56.849 56.400 0.014 0.000 0.856 1308 E CB 0.163 29.872 29.700 0.014 0.000 0.795 1308 E HN 0.463 nan 8.360 nan 0.000 0.504 1309 A N 2.580 125.408 122.820 0.012 0.000 2.438 1309 A HA 0.115 4.418 4.320 -0.030 0.000 0.280 1309 A C -0.054 177.536 177.584 0.010 0.000 1.160 1309 A CA -0.335 51.706 52.037 0.008 0.000 0.821 1309 A CB -0.259 18.744 19.000 0.006 0.000 1.101 1309 A HN 0.179 nan 8.150 nan 0.000 0.515 1310 R N 3.335 123.840 120.500 0.008 0.000 2.248 1310 R HA 0.458 4.780 4.340 -0.030 0.000 0.328 1310 R C -0.512 175.792 176.300 0.006 0.000 1.067 1310 R CA -0.457 55.648 56.100 0.008 0.000 0.924 1310 R CB 0.034 30.339 30.300 0.008 0.000 1.013 1310 R HN 0.650 nan 8.270 nan 0.000 0.454 1311 L N 1.328 122.557 121.223 0.009 0.000 2.292 1311 L HA 0.318 4.640 4.340 -0.030 0.000 0.284 1311 L C 0.478 177.354 176.870 0.009 0.000 1.065 1311 L CA -0.806 54.039 54.840 0.009 0.000 0.806 1311 L CB 0.890 42.960 42.059 0.018 0.000 1.175 1311 L HN 0.659 nan 8.230 nan 0.000 0.431 1312 L N 2.990 124.217 121.223 0.006 0.000 2.270 1312 L HA 0.135 4.457 4.340 -0.030 0.000 0.210 1312 L C 1.013 177.890 176.870 0.012 0.000 1.104 1312 L CA 0.488 55.332 54.840 0.007 0.000 0.804 1312 L CB 0.515 42.575 42.059 0.002 0.000 0.937 1312 L HN 0.620 nan 8.230 nan 0.000 0.450 1313 V N 0.466 120.390 119.914 0.015 0.000 2.997 1313 V HA 0.293 4.396 4.120 -0.030 0.000 0.311 1313 V C -0.267 175.842 176.094 0.025 0.000 1.066 1313 V CA -0.679 61.635 62.300 0.023 0.000 1.039 1313 V CB 1.651 33.492 31.823 0.029 0.000 1.081 1313 V HN 0.166 nan 8.190 nan 0.000 0.467 1314 K N 2.164 122.580 120.400 0.027 0.000 2.395 1314 K HA 0.423 4.725 4.320 -0.030 0.000 0.247 1314 K C -0.880 175.735 176.600 0.025 0.000 0.973 1314 K CA -0.784 55.517 56.287 0.022 0.000 0.828 1314 K CB 1.378 33.889 32.500 0.018 0.000 1.272 1314 K HN 0.497 nan 8.250 nan 0.000 0.439 1315 D N 0.492 120.901 120.400 0.016 0.000 2.426 1315 D HA 0.209 4.832 4.640 -0.030 0.000 0.261 1315 D C 0.648 176.959 176.300 0.018 0.000 1.245 1315 D CA 1.889 55.896 54.000 0.012 0.000 0.917 1315 D CB 0.317 41.116 40.800 -0.002 0.000 1.123 1315 D HN 0.812 nan 8.370 nan 0.000 0.508 1316 G N 4.222 113.039 108.800 0.028 0.000 3.154 1316 G HA2 -0.145 3.797 3.960 -0.030 0.000 0.114 1316 G HA3 -0.145 3.797 3.960 -0.030 0.000 0.114 1316 G C -0.345 174.585 174.900 0.050 0.000 2.421 1316 G CA -0.457 44.662 45.100 0.031 0.000 1.271 1316 G HN 0.481 nan 8.290 nan 0.000 0.371 1317 D N -0.123 120.313 120.400 0.060 0.000 2.384 1317 D HA 0.480 5.102 4.640 -0.030 0.000 0.250 1317 D C -0.448 175.934 176.300 0.136 0.000 1.029 1317 D CA -0.505 53.553 54.000 0.097 0.000 0.990 1317 D CB 1.508 42.356 40.800 0.079 0.000 1.175 1317 D HN 0.221 nan 8.370 nan 0.000 0.532 1318 Y N 0.533 120.832 120.300 -0.002 0.000 2.993 1318 Y HA -0.000 4.532 4.550 -0.030 0.000 0.340 1318 Y C 0.264 176.164 175.900 0.000 0.000 1.273 1318 Y CA 0.400 58.496 58.100 -0.005 0.000 1.545 1318 Y CB 0.377 38.830 38.460 -0.011 0.000 1.275 1318 Y HN 0.011 nan 8.280 nan 0.000 0.617 1319 V N 2.853 122.637 119.914 -0.216 0.000 2.462 1319 V HA 0.381 4.483 4.120 -0.030 0.000 0.288 1319 V C -0.583 175.353 176.094 -0.264 0.000 1.020 1319 V CA -1.251 60.959 62.300 -0.149 0.000 0.857 1319 V CB 1.227 33.003 31.823 -0.078 0.000 1.013 1319 V HN 0.744 nan 8.190 nan 0.000 0.431 1320 E N 2.956 123.063 120.200 -0.155 0.000 2.438 1320 E HA 0.476 4.808 4.350 -0.030 0.000 0.261 1320 E C 0.907 177.439 176.600 -0.114 0.000 1.103 1320 E CA 0.658 56.978 56.400 -0.132 0.000 0.959 1320 E CB 0.747 30.434 29.700 -0.022 0.000 0.958 1320 E HN 1.190 nan 8.360 nan 0.000 0.447 1321 A N 1.707 124.470 122.820 -0.095 0.000 2.540 1321 A HA 0.381 4.684 4.320 -0.030 0.000 0.239 1321 A C 1.217 178.770 177.584 -0.053 0.000 1.061 1321 A CA 0.528 52.528 52.037 -0.063 0.000 0.758 1321 A CB -0.529 18.446 19.000 -0.042 0.000 0.991 1321 A HN 0.917 nan 8.150 nan 0.000 0.502 1322 G N 0.658 109.426 108.800 -0.053 0.000 2.153 1322 G HA2 -0.265 3.677 3.960 -0.030 0.000 0.252 1322 G HA3 -0.265 3.677 3.960 -0.030 0.000 0.252 1322 G C 0.300 175.143 174.900 -0.096 0.000 0.994 1322 G CA 0.700 45.753 45.100 -0.079 0.000 0.698 1322 G HN 1.122 nan 8.290 nan 0.000 0.521 1323 Q N 0.266 120.019 119.800 -0.077 0.000 2.340 1323 Q HA 0.432 4.754 4.340 -0.030 0.000 0.249 1323 Q C -2.309 173.642 176.000 -0.081 0.000 0.957 1323 Q CA -1.834 53.928 55.803 -0.068 0.000 0.882 1323 Q CB 1.022 29.731 28.738 -0.049 0.000 1.235 1323 Q HN 0.163 nan 8.270 nan 0.000 0.439 1324 P HA -0.031 nan 4.420 nan 0.000 0.271 1324 P C -0.562 176.703 177.300 -0.059 0.000 1.233 1324 P CA 0.166 63.222 63.100 -0.072 0.000 0.764 1324 P CB 0.762 32.434 31.700 -0.047 0.000 0.825 1325 L N 3.308 124.480 121.223 -0.085 0.000 2.362 1325 L HA 0.155 4.477 4.340 -0.030 0.000 0.204 1325 L C 1.069 177.909 176.870 -0.050 0.000 1.060 1325 L CA 1.753 56.554 54.840 -0.064 0.000 0.827 1325 L CB -0.451 41.544 42.059 -0.107 0.000 1.027 1325 L HN 0.250 nan 8.230 nan 0.000 0.474 1326 T N -0.602 113.908 114.554 -0.074 0.000 2.900 1326 T HA 0.269 4.601 4.350 -0.030 0.000 0.326 1326 T C -0.063 174.619 174.700 -0.031 0.000 1.145 1326 T CA -0.419 61.652 62.100 -0.048 0.000 0.963 1326 T CB 0.562 69.394 68.868 -0.060 0.000 1.512 1326 T HN 0.002 nan 8.240 nan 0.000 0.552 1327 R N -0.706 119.783 120.500 -0.019 0.000 2.513 1327 R HA 0.544 4.867 4.340 -0.030 0.000 0.301 1327 R C 0.208 176.507 176.300 -0.003 0.000 0.968 1327 R CA 0.442 56.537 56.100 -0.008 0.000 0.872 1327 R CB 0.976 31.276 30.300 0.000 0.000 1.177 1327 R HN 0.978 nan 8.270 nan 0.000 0.444 1328 G N 2.093 110.896 108.800 0.004 0.000 2.390 1328 G HA2 0.021 3.963 3.960 -0.030 0.000 0.202 1328 G HA3 0.021 3.963 3.960 -0.030 0.000 0.202 1328 G C -1.065 173.851 174.900 0.027 0.000 1.210 1328 G CA -0.355 44.755 45.100 0.016 0.000 1.271 1328 G HN 0.819 nan 8.290 nan 0.000 0.543 1329 A N -0.045 122.793 122.820 0.030 0.000 2.322 1329 A HA 0.784 5.086 4.320 -0.030 0.000 0.269 1329 A C 0.083 177.674 177.584 0.012 0.000 1.094 1329 A CA 0.106 52.174 52.037 0.052 0.000 0.807 1329 A CB 0.236 19.268 19.000 0.053 0.000 1.047 1329 A HN 1.088 nan 8.150 nan 0.000 0.487 1330 I N 0.339 120.916 120.570 0.012 0.000 2.689 1330 I HA 0.267 4.419 4.170 -0.030 0.000 0.299 1330 I C -1.007 175.078 176.117 -0.054 0.000 1.059 1330 I CA -0.666 60.576 61.300 -0.096 0.000 1.055 1330 I CB 2.348 40.158 38.000 -0.318 0.000 1.243 1330 I HN 0.800 nan 8.210 nan 0.000 0.425 1331 D N 6.460 126.816 120.400 -0.073 0.000 2.317 1331 D HA 0.311 4.933 4.640 -0.030 0.000 0.234 1331 D C -1.937 174.299 176.300 -0.106 0.000 1.112 1331 D CA -1.886 52.078 54.000 -0.060 0.000 0.840 1331 D CB 1.772 42.556 40.800 -0.026 0.000 1.078 1331 D HN 0.089 nan 8.370 nan 0.000 0.486 1332 P HA -0.305 nan 4.420 nan 0.000 0.222 1332 P C 0.920 178.179 177.300 -0.068 0.000 1.159 1332 P CA 1.563 64.606 63.100 -0.096 0.000 0.920 1332 P CB -0.019 31.611 31.700 -0.117 0.000 0.793 1333 H N -0.539 118.553 119.070 0.036 0.000 2.289 1333 H HA -0.165 4.374 4.556 -0.029 0.000 0.296 1333 H C 2.089 177.422 175.328 0.009 0.000 1.091 1333 H CA 1.609 57.675 56.048 0.029 0.000 1.274 1333 H CB -1.109 28.672 29.762 0.032 0.000 1.364 1333 H HN 0.342 nan 8.280 nan 0.000 0.490 1334 Q N 0.173 120.036 119.800 0.105 0.000 2.045 1334 Q HA -0.146 4.177 4.340 -0.030 0.000 0.206 1334 Q C 2.642 178.639 176.000 -0.004 0.000 0.991 1334 Q CA 1.462 57.287 55.803 0.036 0.000 0.851 1334 Q CB -0.344 28.389 28.738 -0.008 0.000 0.911 1334 Q HN 0.321 nan 8.270 nan 0.000 0.418 1335 L N 0.719 121.909 121.223 -0.056 0.000 2.127 1335 L HA -0.190 4.132 4.340 -0.030 0.000 0.211 1335 L C 2.187 179.041 176.870 -0.027 0.000 1.089 1335 L CA 0.727 55.515 54.840 -0.087 0.000 0.757 1335 L CB -0.172 41.769 42.059 -0.196 0.000 0.899 1335 L HN 0.246 nan 8.230 nan 0.000 0.434 1336 L N -0.262 120.971 121.223 0.017 0.000 2.005 1336 L HA -0.172 4.150 4.340 -0.030 0.000 0.207 1336 L C 2.288 179.184 176.870 0.043 0.000 1.072 1336 L CA 1.788 56.657 54.840 0.048 0.000 0.744 1336 L CB -0.735 41.381 42.059 0.095 0.000 0.895 1336 L HN 0.159 nan 8.230 nan 0.000 0.433 1337 E N 0.114 120.344 120.200 0.050 0.000 2.118 1337 E HA -0.158 4.174 4.350 -0.030 0.000 0.195 1337 E C 2.065 178.682 176.600 0.027 0.000 0.992 1337 E CA 1.615 58.039 56.400 0.041 0.000 0.804 1337 E CB -0.499 29.228 29.700 0.045 0.000 0.741 1337 E HN 0.680 nan 8.360 nan 0.000 0.458 1338 A N 0.041 122.871 122.820 0.016 0.000 1.844 1338 A HA -0.006 4.296 4.320 -0.030 0.000 0.212 1338 A C 1.992 179.575 177.584 -0.000 0.000 1.221 1338 A CA 1.397 53.438 52.037 0.008 0.000 0.607 1338 A CB -0.218 18.778 19.000 -0.006 0.000 0.878 1338 A HN 0.102 nan 8.150 nan 0.000 0.451 1339 K N -1.285 119.109 120.400 -0.010 0.000 2.374 1339 K HA 0.363 4.665 4.320 -0.030 0.000 0.196 1339 K C 0.472 177.074 176.600 0.003 0.000 1.023 1339 K CA 0.788 57.069 56.287 -0.009 0.000 1.103 1339 K CB 0.142 32.629 32.500 -0.022 0.000 0.848 1339 K HN 0.893 nan 8.250 nan 0.000 0.528 1340 G N -0.121 108.687 108.800 0.013 0.000 2.603 1340 G HA2 -0.166 3.776 3.960 -0.030 0.000 0.686 1340 G HA3 -0.166 3.776 3.960 -0.030 0.000 0.686 1340 G C -2.493 172.428 174.900 0.034 0.000 1.286 1340 G CA -0.583 44.531 45.100 0.024 0.000 0.871 1340 G HN -0.069 nan 8.290 nan 0.000 0.568 1341 P HA 0.063 nan 4.420 nan 0.000 0.215 1341 P C 1.580 178.904 177.300 0.040 0.000 1.157 1341 P CA 1.759 64.890 63.100 0.052 0.000 0.859 1341 P CB 0.024 31.759 31.700 0.059 0.000 0.786 1342 E N -0.027 120.187 120.200 0.025 0.000 2.147 1342 E HA -0.205 4.127 4.350 -0.030 0.000 0.199 1342 E C 2.022 178.635 176.600 0.021 0.000 1.005 1342 E CA 1.834 58.241 56.400 0.011 0.000 0.810 1342 E CB -1.164 28.530 29.700 -0.010 0.000 0.736 1342 E HN 0.209 nan 8.360 nan 0.000 0.460 1343 A N 0.297 123.133 122.820 0.026 0.000 1.898 1343 A HA -0.074 4.228 4.320 -0.030 0.000 0.214 1343 A C 2.447 180.073 177.584 0.070 0.000 1.183 1343 A CA 1.185 53.243 52.037 0.035 0.000 0.622 1343 A CB -0.540 18.467 19.000 0.012 0.000 0.824 1343 A HN 0.154 nan 8.150 nan 0.000 0.444 1344 V N 0.081 120.036 119.914 0.068 0.000 2.295 1344 V HA -0.289 3.813 4.120 -0.030 0.000 0.246 1344 V C 2.183 178.348 176.094 0.119 0.000 1.049 1344 V CA 2.182 64.546 62.300 0.107 0.000 1.024 1344 V CB -1.380 30.496 31.823 0.088 0.000 0.648 1344 V HN 0.596 nan 8.190 nan 0.000 0.447 1345 E N 0.557 120.801 120.200 0.074 0.000 2.013 1345 E HA -0.307 4.025 4.350 -0.030 0.000 0.202 1345 E C 2.412 179.036 176.600 0.039 0.000 1.018 1345 E CA 1.834 58.263 56.400 0.048 0.000 0.834 1345 E CB -0.324 29.395 29.700 0.031 0.000 0.770 1345 E HN 0.357 nan 8.360 nan 0.000 0.459 1346 R N -0.064 120.463 120.500 0.045 0.000 2.154 1346 R HA -0.228 4.094 4.340 -0.030 0.000 0.248 1346 R C 2.164 178.500 176.300 0.060 0.000 1.155 1346 R CA 1.505 57.629 56.100 0.039 0.000 0.979 1346 R CB -0.499 29.829 30.300 0.047 0.000 0.869 1346 R HN 0.316 nan 8.270 nan 0.000 0.452 1347 Y N -0.481 119.801 120.300 -0.030 0.000 2.184 1347 Y HA -0.097 4.436 4.550 -0.029 0.000 0.290 1347 Y C 1.592 177.456 175.900 -0.060 0.000 1.129 1347 Y CA 1.221 59.298 58.100 -0.039 0.000 1.144 1347 Y CB -0.424 38.015 38.460 -0.036 0.000 0.995 1347 Y HN 0.003 nan 8.280 nan 0.000 0.513 1348 L N -0.487 120.657 121.223 -0.131 0.000 1.990 1348 L HA -0.240 4.082 4.340 -0.030 0.000 0.213 1348 L C 2.531 179.211 176.870 -0.316 0.000 1.072 1348 L CA 1.678 56.363 54.840 -0.257 0.000 0.755 1348 L CB -1.435 40.562 42.059 -0.103 0.000 0.889 1348 L HN 0.157 nan 8.230 nan 0.000 0.432 1349 V N -0.649 119.150 119.914 -0.192 0.000 2.214 1349 V HA -0.353 3.750 4.120 -0.030 0.000 0.247 1349 V C 2.454 178.432 176.094 -0.193 0.000 1.051 1349 V CA 2.116 64.318 62.300 -0.163 0.000 1.003 1349 V CB -0.658 31.114 31.823 -0.084 0.000 0.635 1349 V HN 0.433 nan 8.190 nan 0.000 0.447 1350 E N -0.422 119.674 120.200 -0.174 0.000 2.085 1350 E HA -0.269 4.064 4.350 -0.030 0.000 0.194 1350 E C 2.240 178.710 176.600 -0.217 0.000 0.994 1350 E CA 1.404 57.711 56.400 -0.155 0.000 0.801 1350 E CB -0.181 29.459 29.700 -0.099 0.000 0.743 1350 E HN 0.543 nan 8.360 nan 0.000 0.453 1351 E N 0.534 120.499 120.200 -0.393 0.000 2.204 1351 E HA -0.135 4.198 4.350 -0.030 0.000 0.195 1351 E C 1.613 178.051 176.600 -0.271 0.000 0.990 1351 E CA 0.848 56.996 56.400 -0.420 0.000 0.821 1351 E CB -0.057 29.150 29.700 -0.821 0.000 0.750 1351 E HN 0.304 nan 8.360 nan 0.000 0.477 1352 I N 0.061 120.460 120.570 -0.284 0.000 2.206 1352 I HA -0.230 3.922 4.170 -0.030 0.000 0.239 1352 I C 2.374 178.462 176.117 -0.049 0.000 1.078 1352 I CA 0.853 62.026 61.300 -0.211 0.000 1.367 1352 I CB -0.329 37.435 38.000 -0.393 0.000 1.078 1352 I HN 0.109 nan 8.210 nan 0.000 0.413 1353 Q N 0.885 120.620 119.800 -0.107 0.000 2.268 1353 Q HA -0.251 4.071 4.340 -0.030 0.000 0.210 1353 Q C 2.094 178.127 176.000 0.055 0.000 0.988 1353 Q CA 1.204 56.987 55.803 -0.034 0.000 0.883 1353 Q CB -0.210 28.489 28.738 -0.065 0.000 0.911 1353 Q HN 0.400 nan 8.270 nan 0.000 0.430 1354 K N 0.064 120.467 120.400 0.005 0.000 2.074 1354 K HA -0.136 4.167 4.320 -0.030 0.000 0.209 1354 K C 2.122 178.749 176.600 0.046 0.000 1.048 1354 K CA 1.073 57.364 56.287 0.007 0.000 0.926 1354 K CB -0.484 31.995 32.500 -0.035 0.000 0.713 1354 K HN 0.128 nan 8.250 nan 0.000 0.444 1355 V N 0.293 120.260 119.914 0.089 0.000 2.323 1355 V HA -0.227 3.875 4.120 -0.030 0.000 0.244 1355 V C 2.166 178.281 176.094 0.036 0.000 1.041 1355 V CA 1.533 63.863 62.300 0.049 0.000 1.025 1355 V CB -0.689 31.154 31.823 0.032 0.000 0.656 1355 V HN 0.124 nan 8.190 nan 0.000 0.451 1356 Y N 0.944 121.235 120.300 -0.016 0.000 2.145 1356 Y HA -0.179 4.353 4.550 -0.030 0.000 0.286 1356 Y C 2.697 178.592 175.900 -0.008 0.000 1.145 1356 Y CA 1.488 59.587 58.100 -0.002 0.000 1.148 1356 Y CB -0.694 37.773 38.460 0.013 0.000 0.981 1356 Y HN 0.122 nan 8.280 nan 0.000 0.507 1357 R N 0.002 120.594 120.500 0.155 0.000 2.080 1357 R HA -0.173 4.150 4.340 -0.030 0.000 0.236 1357 R C 2.476 178.797 176.300 0.034 0.000 1.137 1357 R CA 1.468 57.611 56.100 0.071 0.000 0.943 1357 R CB -0.867 29.459 30.300 0.042 0.000 0.846 1357 R HN 0.303 nan 8.270 nan 0.000 0.431 1358 A N 0.652 123.485 122.820 0.020 0.000 2.186 1358 A HA -0.165 4.138 4.320 -0.030 0.000 0.219 1358 A C 1.515 179.089 177.584 -0.016 0.000 1.159 1358 A CA 1.231 53.267 52.037 -0.002 0.000 0.680 1358 A CB -0.136 18.858 19.000 -0.010 0.000 0.787 1358 A HN 0.355 nan 8.150 nan 0.000 0.467 1359 Q N -2.133 117.653 119.800 -0.022 0.000 2.179 1359 Q HA 0.293 4.616 4.340 -0.030 0.000 0.213 1359 Q C 1.159 177.149 176.000 -0.017 0.000 0.833 1359 Q CA 0.356 56.135 55.803 -0.040 0.000 0.990 1359 Q CB 0.638 29.319 28.738 -0.095 0.000 1.132 1359 Q HN 0.807 nan 8.270 nan 0.000 0.493 1360 G N 0.612 109.415 108.800 0.005 0.000 2.336 1360 G HA2 -0.290 3.652 3.960 -0.030 0.000 0.233 1360 G HA3 -0.290 3.652 3.960 -0.030 0.000 0.233 1360 G C 0.447 175.368 174.900 0.035 0.000 1.053 1360 G CA 0.122 45.231 45.100 0.014 0.000 0.625 1360 G HN 0.253 nan 8.290 nan 0.000 0.511 1361 V N 2.411 122.357 119.914 0.054 0.000 2.617 1361 V HA 0.283 4.386 4.120 -0.030 0.000 0.304 1361 V C 0.491 176.649 176.094 0.107 0.000 1.040 1361 V CA 0.767 63.127 62.300 0.099 0.000 1.149 1361 V CB 1.239 33.171 31.823 0.182 0.000 0.914 1361 V HN 0.314 nan 8.190 nan 0.000 0.487 1362 K N 5.813 126.259 120.400 0.077 0.000 2.682 1362 K HA 0.354 4.657 4.320 -0.030 0.000 0.189 1362 K C -0.743 175.888 176.600 0.052 0.000 1.062 1362 K CA -0.413 55.907 56.287 0.056 0.000 0.997 1362 K CB 0.910 33.434 32.500 0.040 0.000 1.405 1362 K HN 0.607 nan 8.250 nan 0.000 0.588 1363 L N -1.571 119.685 121.223 0.055 0.000 2.343 1363 L HA 0.494 4.816 4.340 -0.030 0.000 0.275 1363 L C 0.377 177.304 176.870 0.094 0.000 1.056 1363 L CA -0.551 54.327 54.840 0.063 0.000 0.804 1363 L CB 0.663 42.733 42.059 0.019 0.000 1.203 1363 L HN 0.204 nan 8.230 nan 0.000 0.440 1364 H N 1.816 120.946 119.070 0.100 0.000 2.848 1364 H HA 0.059 4.597 4.556 -0.030 0.000 0.341 1364 H C 0.119 175.450 175.328 0.005 0.000 1.060 1364 H CA 0.341 56.417 56.048 0.047 0.000 1.444 1364 H CB 1.081 30.844 29.762 0.002 0.000 1.446 1364 H HN 0.833 nan 8.280 nan 0.000 0.583 1365 D N 4.423 124.988 120.400 0.275 0.000 2.182 1365 D HA -0.147 4.475 4.640 -0.030 0.000 0.201 1365 D C 1.740 178.058 176.300 0.030 0.000 0.986 1365 D CA 1.078 55.148 54.000 0.116 0.000 0.847 1365 D CB 0.285 41.109 40.800 0.041 0.000 0.942 1365 D HN 0.590 nan 8.370 nan 0.000 0.467 1366 K N 0.050 120.398 120.400 -0.087 0.000 2.071 1366 K HA -0.233 4.070 4.320 -0.030 0.000 0.217 1366 K C 2.070 178.444 176.600 -0.378 0.000 1.054 1366 K CA 1.410 57.398 56.287 -0.498 0.000 0.937 1366 K CB -0.381 31.436 32.500 -1.139 0.000 0.719 1366 K HN 0.385 nan 8.250 nan 0.000 0.454 1367 H N 0.550 119.563 119.070 -0.094 0.000 2.289 1367 H HA -0.118 4.420 4.556 -0.030 0.000 0.296 1367 H C 2.322 177.661 175.328 0.018 0.000 1.091 1367 H CA 1.718 57.757 56.048 -0.016 0.000 1.274 1367 H CB -0.495 29.268 29.762 0.001 0.000 1.364 1367 H HN 0.215 nan 8.280 nan 0.000 0.490 1368 I N 1.010 121.665 120.570 0.142 0.000 2.454 1368 I HA -0.202 3.950 4.170 -0.030 0.000 0.254 1368 I C 2.288 178.473 176.117 0.113 0.000 1.156 1368 I CA 1.007 62.401 61.300 0.157 0.000 1.433 1368 I CB -0.269 37.776 38.000 0.075 0.000 1.082 1368 I HN 0.288 nan 8.210 nan 0.000 0.432 1369 E N 1.092 121.310 120.200 0.030 0.000 2.028 1369 E HA -0.190 4.142 4.350 -0.030 0.000 0.191 1369 E C 2.355 178.971 176.600 0.026 0.000 0.988 1369 E CA 1.087 57.491 56.400 0.007 0.000 0.799 1369 E CB -0.049 29.621 29.700 -0.050 0.000 0.755 1369 E HN 0.323 nan 8.360 nan 0.000 0.447 1370 I N 1.256 121.832 120.570 0.010 0.000 2.147 1370 I HA -0.307 3.845 4.170 -0.030 0.000 0.245 1370 I C 2.476 178.630 176.117 0.062 0.000 1.059 1370 I CA 1.431 62.752 61.300 0.036 0.000 1.320 1370 I CB -1.065 36.977 38.000 0.070 0.000 1.021 1370 I HN 0.025 nan 8.210 nan 0.000 0.415 1371 V N -0.040 119.931 119.914 0.095 0.000 2.283 1371 V HA -0.203 3.899 4.120 -0.030 0.000 0.243 1371 V C 2.561 178.744 176.094 0.148 0.000 1.039 1371 V CA 1.203 63.570 62.300 0.111 0.000 1.016 1371 V CB -0.471 31.415 31.823 0.104 0.000 0.650 1371 V HN 0.177 nan 8.190 nan 0.000 0.449 1372 V N 0.985 121.008 119.914 0.182 0.000 2.250 1372 V HA -0.393 3.709 4.120 -0.030 0.000 0.250 1372 V C 2.777 178.929 176.094 0.097 0.000 1.060 1372 V CA 2.907 65.296 62.300 0.148 0.000 1.030 1372 V CB -0.780 31.098 31.823 0.092 0.000 0.643 1372 V HN 0.700 nan 8.190 nan 0.000 0.445 1373 R N -0.127 120.408 120.500 0.059 0.000 2.113 1373 R HA -0.273 4.049 4.340 -0.030 0.000 0.244 1373 R C 2.099 178.410 176.300 0.019 0.000 1.142 1373 R CA 2.325 58.439 56.100 0.022 0.000 0.953 1373 R CB -0.538 29.759 30.300 -0.004 0.000 0.860 1373 R HN 0.499 nan 8.270 nan 0.000 0.438 1374 Q N 0.248 120.072 119.800 0.039 0.000 2.291 1374 Q HA -0.112 4.211 4.340 -0.030 0.000 0.206 1374 Q C 2.037 178.117 176.000 0.133 0.000 0.976 1374 Q CA 1.401 57.234 55.803 0.050 0.000 0.875 1374 Q CB -0.202 28.582 28.738 0.076 0.000 0.927 1374 Q HN 0.568 nan 8.270 nan 0.000 0.450 1375 M N -1.092 118.594 119.600 0.142 0.000 2.476 1375 M HA 0.011 4.473 4.480 -0.030 0.000 0.262 1375 M C 1.180 177.591 176.300 0.185 0.000 1.079 1375 M CA 0.945 56.353 55.300 0.179 0.000 1.104 1375 M CB 0.166 32.866 32.600 0.167 0.000 1.409 1375 M HN 0.108 nan 8.290 nan 0.000 0.467 1376 M N -0.254 119.419 119.600 0.121 0.000 2.692 1376 M HA 0.096 4.558 4.480 -0.030 0.000 0.372 1376 M C 1.030 177.333 176.300 0.005 0.000 1.192 1376 M CA -0.040 55.319 55.300 0.097 0.000 0.928 1376 M CB 0.423 33.065 32.600 0.070 0.000 1.366 1376 M HN 0.060 nan 8.290 nan 0.000 0.517 1377 K N -0.177 120.168 120.400 -0.091 0.000 2.476 1377 K HA 0.063 4.365 4.320 -0.030 0.000 0.196 1377 K C -0.907 175.335 176.600 -0.597 0.000 1.025 1377 K CA 0.364 56.426 56.287 -0.375 0.000 1.138 1377 K CB 0.165 32.361 32.500 -0.507 0.000 0.860 1377 K HN 0.202 nan 8.250 nan 0.000 0.515 1378 Y N 0.463 120.747 120.300 -0.026 0.000 2.485 1378 Y HA 0.435 4.967 4.550 -0.030 0.000 0.345 1378 Y C -0.062 175.845 175.900 0.011 0.000 0.998 1378 Y CA -1.140 56.952 58.100 -0.013 0.000 1.059 1378 Y CB 2.248 40.709 38.460 0.001 0.000 1.234 1378 Y HN -0.037 nan 8.280 nan 0.000 0.461 1379 V N -1.360 118.663 119.914 0.182 0.000 3.159 1379 V HA 0.653 4.755 4.120 -0.030 0.000 0.308 1379 V C -1.134 175.094 176.094 0.223 0.000 1.190 1379 V CA -1.013 61.387 62.300 0.166 0.000 1.037 1379 V CB 2.092 33.950 31.823 0.059 0.000 1.060 1379 V HN 0.827 nan 8.190 nan 0.000 0.437 1380 E N 0.397 120.726 120.200 0.214 0.000 2.232 1380 E HA 0.748 5.080 4.350 -0.030 0.000 0.265 1380 E C -1.560 175.168 176.600 0.213 0.000 1.001 1380 E CA -0.916 55.603 56.400 0.198 0.000 0.870 1380 E CB 2.241 32.018 29.700 0.129 0.000 1.175 1380 E HN 0.718 nan 8.360 nan 0.000 0.407 1381 V N 2.458 122.483 119.914 0.186 0.000 2.378 1381 V HA 0.192 4.294 4.120 -0.030 0.000 0.288 1381 V C 0.413 176.537 176.094 0.050 0.000 1.016 1381 V CA -0.388 61.980 62.300 0.114 0.000 0.840 1381 V CB 1.289 33.245 31.823 0.221 0.000 0.994 1381 V HN 0.897 nan 8.190 nan 0.000 0.431 1382 T N 0.226 114.774 114.554 -0.010 0.000 2.990 1382 T HA 0.170 4.503 4.350 -0.030 0.000 0.249 1382 T C 0.320 174.997 174.700 -0.040 0.000 1.039 1382 T CA 0.063 62.153 62.100 -0.017 0.000 1.036 1382 T CB 0.384 69.234 68.868 -0.029 0.000 0.994 1382 T HN 0.516 nan 8.240 nan 0.000 0.489 1383 D N 2.502 122.854 120.400 -0.081 0.000 2.408 1383 D HA 0.386 5.009 4.640 -0.030 0.000 0.261 1383 D C -2.723 173.524 176.300 -0.089 0.000 1.190 1383 D CA -1.923 52.028 54.000 -0.081 0.000 0.910 1383 D CB 2.199 42.932 40.800 -0.112 0.000 1.097 1383 D HN 0.063 nan 8.370 nan 0.000 0.522 1384 P HA 0.329 nan 4.420 nan 0.000 0.282 1384 P C 0.469 177.799 177.300 0.049 0.000 1.286 1384 P CA -0.013 63.109 63.100 0.038 0.000 0.777 1384 P CB 1.231 32.984 31.700 0.088 0.000 1.184 1385 G N -1.733 107.146 108.800 0.132 0.000 3.680 1385 G HA2 -0.026 3.917 3.960 -0.030 0.000 0.211 1385 G HA3 -0.026 3.917 3.960 -0.030 0.000 0.211 1385 G C 0.685 175.678 174.900 0.154 0.000 1.509 1385 G CA 0.389 45.572 45.100 0.138 0.000 0.868 1385 G HN 0.501 nan 8.290 nan 0.000 0.759 1386 D N 0.344 120.876 120.400 0.220 0.000 3.012 1386 D HA 0.247 4.869 4.640 -0.030 0.000 0.284 1386 D C 0.398 176.773 176.300 0.125 0.000 1.259 1386 D CA 0.509 54.599 54.000 0.151 0.000 1.036 1386 D CB 0.795 41.673 40.800 0.130 0.000 1.167 1386 D HN 0.117 nan 8.370 nan 0.000 0.429 1387 S N 0.442 116.234 115.700 0.153 0.000 2.525 1387 S HA 0.463 4.915 4.470 -0.030 0.000 0.290 1387 S C -0.139 174.546 174.600 0.141 0.000 1.152 1387 S CA -0.563 57.703 58.200 0.109 0.000 1.072 1387 S CB 1.854 65.093 63.200 0.065 0.000 1.027 1387 S HN 0.087 nan 8.310 nan 0.000 0.500 1388 R N 1.382 121.938 120.500 0.093 0.000 2.919 1388 R HA 0.004 4.327 4.340 -0.030 0.000 0.271 1388 R C 1.629 177.995 176.300 0.110 0.000 0.995 1388 R CA 0.194 56.345 56.100 0.085 0.000 1.158 1388 R CB -0.294 30.035 30.300 0.049 0.000 1.071 1388 R HN 0.685 nan 8.270 nan 0.000 0.476 1389 L N -0.721 120.555 121.223 0.089 0.000 2.027 1389 L HA 0.073 4.395 4.340 -0.030 0.000 0.206 1389 L C 0.823 177.747 176.870 0.090 0.000 1.074 1389 L CA 1.257 56.151 54.840 0.090 0.000 0.745 1389 L CB -0.422 41.668 42.059 0.053 0.000 0.898 1389 L HN 0.270 nan 8.230 nan 0.000 0.433 1390 L N 1.478 122.740 121.223 0.064 0.000 2.384 1390 L HA 0.151 4.473 4.340 -0.030 0.000 0.258 1390 L C 1.216 178.130 176.870 0.073 0.000 1.266 1390 L CA -0.194 54.683 54.840 0.062 0.000 1.162 1390 L CB 0.161 42.242 42.059 0.036 0.000 1.375 1390 L HN 0.308 nan 8.230 nan 0.000 0.420 1391 E N 2.061 122.332 120.200 0.118 0.000 2.038 1391 E HA 0.060 4.392 4.350 -0.030 0.000 0.190 1391 E C 1.052 177.724 176.600 0.120 0.000 0.967 1391 E CA 0.834 57.314 56.400 0.135 0.000 0.816 1391 E CB 0.159 29.999 29.700 0.234 0.000 0.784 1391 E HN 0.649 nan 8.360 nan 0.000 0.456 1392 G N 3.080 111.980 108.800 0.166 0.000 2.540 1392 G HA2 -0.238 3.705 3.960 -0.030 0.000 0.260 1392 G HA3 -0.238 3.705 3.960 -0.030 0.000 0.260 1392 G C -0.203 174.788 174.900 0.151 0.000 0.993 1392 G CA 0.551 45.738 45.100 0.145 0.000 1.327 1392 G HN 0.107 nan 8.290 nan 0.000 0.485 1393 Q N -0.712 119.210 119.800 0.204 0.000 2.544 1393 Q HA 0.577 4.899 4.340 -0.030 0.000 0.291 1393 Q C 0.368 176.448 176.000 0.133 0.000 1.068 1393 Q CA -1.152 54.735 55.803 0.140 0.000 0.785 1393 Q CB 2.513 31.219 28.738 -0.053 0.000 1.481 1393 Q HN 0.450 nan 8.270 nan 0.000 0.430 1394 V N 2.823 122.750 119.914 0.021 0.000 2.557 1394 V HA -0.134 3.968 4.120 -0.030 0.000 0.301 1394 V C 1.712 177.674 176.094 -0.219 0.000 1.026 1394 V CA 0.425 62.595 62.300 -0.215 0.000 1.137 1394 V CB -0.057 31.627 31.823 -0.232 0.000 0.917 1394 V HN 0.731 nan 8.190 nan 0.000 0.484 1395 L N 3.732 124.795 121.223 -0.266 0.000 2.042 1395 L HA -0.113 4.209 4.340 -0.030 0.000 0.210 1395 L C 2.197 178.884 176.870 -0.305 0.000 1.076 1395 L CA 2.076 56.736 54.840 -0.300 0.000 0.749 1395 L CB -0.598 41.270 42.059 -0.318 0.000 0.893 1395 L HN 0.867 nan 8.230 nan 0.000 0.432 1396 E N 0.032 120.054 120.200 -0.297 0.000 2.216 1396 E HA -0.170 4.162 4.350 -0.030 0.000 0.192 1396 E C 1.970 178.467 176.600 -0.172 0.000 0.988 1396 E CA 0.443 56.701 56.400 -0.236 0.000 0.834 1396 E CB 0.188 29.732 29.700 -0.260 0.000 0.772 1396 E HN 0.557 nan 8.360 nan 0.000 0.479 1397 K N -0.656 119.625 120.400 -0.198 0.000 2.211 1397 K HA -0.175 4.128 4.320 -0.030 0.000 0.204 1397 K C 1.753 178.227 176.600 -0.209 0.000 1.047 1397 K CA 1.108 57.278 56.287 -0.195 0.000 0.935 1397 K CB -0.165 32.187 32.500 -0.247 0.000 0.728 1397 K HN 0.298 nan 8.250 nan 0.000 0.452 1398 W N 1.106 122.287 121.300 -0.199 0.000 2.640 1398 W HA -0.063 4.579 4.660 -0.030 0.000 0.268 1398 W C 1.530 177.933 176.519 -0.193 0.000 1.263 1398 W CA -0.185 57.039 57.345 -0.201 0.000 1.344 1398 W CB 0.335 29.576 29.460 -0.365 0.000 1.093 1398 W HN 0.023 nan 8.180 nan 0.000 0.603 1399 D N -0.153 120.249 120.400 0.004 0.000 2.218 1399 D HA -0.147 4.475 4.640 -0.030 0.000 0.204 1399 D C 2.129 178.471 176.300 0.070 0.000 0.976 1399 D CA 1.053 55.055 54.000 0.003 0.000 0.853 1399 D CB -0.211 40.549 40.800 -0.067 0.000 0.939 1399 D HN -0.011 nan 8.370 nan 0.000 0.481 1400 V N 1.194 121.140 119.914 0.052 0.000 2.255 1400 V HA -0.174 3.929 4.120 -0.030 0.000 0.243 1400 V C 2.333 178.488 176.094 0.101 0.000 1.038 1400 V CA 1.422 63.750 62.300 0.047 0.000 1.008 1400 V CB -0.362 31.459 31.823 -0.004 0.000 0.645 1400 V HN 0.185 nan 8.190 nan 0.000 0.449 1401 E N 0.947 121.244 120.200 0.162 0.000 2.007 1401 E HA -0.237 4.096 4.350 -0.030 0.000 0.194 1401 E C 2.366 179.124 176.600 0.263 0.000 0.999 1401 E CA 1.533 58.076 56.400 0.240 0.000 0.811 1401 E CB -0.536 29.408 29.700 0.406 0.000 0.762 1401 E HN 0.527 nan 8.360 nan 0.000 0.450 1402 A N 1.584 124.607 122.820 0.337 0.000 1.986 1402 A HA -0.186 4.116 4.320 -0.030 0.000 0.220 1402 A C 2.282 179.965 177.584 0.165 0.000 1.171 1402 A CA 1.166 53.350 52.037 0.245 0.000 0.640 1402 A CB -0.750 18.439 19.000 0.315 0.000 0.811 1402 A HN 0.169 nan 8.150 nan 0.000 0.451 1403 L N -0.807 120.505 121.223 0.148 0.000 1.994 1403 L HA -0.181 4.141 4.340 -0.030 0.000 0.208 1403 L C 2.193 179.111 176.870 0.080 0.000 1.071 1403 L CA 1.584 56.484 54.840 0.099 0.000 0.745 1403 L CB -0.303 41.803 42.059 0.078 0.000 0.892 1403 L HN 0.350 nan 8.230 nan 0.000 0.431 1404 N N -0.623 118.125 118.700 0.080 0.000 2.446 1404 N HA -0.110 4.612 4.740 -0.030 0.000 0.179 1404 N C 1.547 177.098 175.510 0.068 0.000 1.054 1404 N CA 0.607 53.696 53.050 0.064 0.000 0.905 1404 N CB 0.166 38.686 38.487 0.055 0.000 0.973 1404 N HN 0.327 nan 8.380 nan 0.000 0.448 1405 E N -0.181 120.072 120.200 0.088 0.000 2.285 1405 E HA -0.029 4.303 4.350 -0.030 0.000 0.194 1405 E C 1.695 178.332 176.600 0.063 0.000 0.997 1405 E CA 0.422 56.871 56.400 0.082 0.000 0.845 1405 E CB 0.297 30.064 29.700 0.111 0.000 0.782 1405 E HN 0.207 nan 8.360 nan 0.000 0.491 1406 R N -0.103 120.434 120.500 0.062 0.000 2.254 1406 R HA 0.031 4.353 4.340 -0.030 0.000 0.193 1406 R C 1.493 177.816 176.300 0.038 0.000 0.929 1406 R CA 0.188 56.315 56.100 0.045 0.000 1.038 1406 R CB 0.390 30.716 30.300 0.043 0.000 1.009 1406 R HN 0.057 nan 8.270 nan 0.000 0.512 1407 L N -0.072 121.176 121.223 0.042 0.000 2.269 1407 L HA 0.197 4.519 4.340 -0.030 0.000 0.200 1407 L C 1.939 178.827 176.870 0.030 0.000 1.069 1407 L CA 1.200 56.060 54.840 0.034 0.000 0.804 1407 L CB -0.071 42.010 42.059 0.036 0.000 0.987 1407 L HN 0.061 nan 8.230 nan 0.000 0.468 1408 I N -1.290 119.300 120.570 0.033 0.000 2.810 1408 I HA 0.149 4.301 4.170 -0.030 0.000 0.262 1408 I C 0.832 176.966 176.117 0.028 0.000 1.131 1408 I CA 0.163 61.480 61.300 0.028 0.000 1.453 1408 I CB 0.037 38.053 38.000 0.027 0.000 1.161 1408 I HN 0.053 nan 8.210 nan 0.000 0.444 1409 A N 1.610 124.449 122.820 0.033 0.000 2.317 1409 A HA 0.545 4.847 4.320 -0.030 0.000 0.327 1409 A C -0.318 177.285 177.584 0.033 0.000 1.178 1409 A CA -0.486 51.570 52.037 0.032 0.000 0.817 1409 A CB 0.464 19.485 19.000 0.036 0.000 1.189 1409 A HN 0.287 nan 8.150 nan 0.000 0.489 1410 E N 1.102 121.318 120.200 0.027 0.000 2.504 1410 E HA 0.725 5.057 4.350 -0.030 0.000 0.253 1410 E C 0.247 176.862 176.600 0.026 0.000 1.151 1410 E CA -0.702 55.713 56.400 0.026 0.000 0.972 1410 E CB 0.552 30.264 29.700 0.020 0.000 1.247 1410 E HN 1.727 nan 8.360 nan 0.000 0.519 1411 G N 1.235 110.048 108.800 0.022 0.000 2.780 1411 G HA2 -0.179 3.764 3.960 -0.030 0.000 0.364 1411 G HA3 -0.179 3.764 3.960 -0.030 0.000 0.364 1411 G C -0.680 174.233 174.900 0.022 0.000 1.045 1411 G CA -0.284 44.828 45.100 0.020 0.000 1.202 1411 G HN 0.610 nan 8.290 nan 0.000 0.534 1412 K N 0.525 120.934 120.400 0.015 0.000 2.361 1412 K HA 0.406 4.708 4.320 -0.030 0.000 0.283 1412 K C 0.258 176.863 176.600 0.008 0.000 1.078 1412 K CA 0.381 56.676 56.287 0.013 0.000 1.041 1412 K CB 0.296 32.798 32.500 0.003 0.000 0.932 1412 K HN 0.145 nan 8.250 nan 0.000 0.462 1413 T N 6.083 120.649 114.554 0.020 0.000 3.400 1413 T HA 0.196 4.529 4.350 -0.030 0.000 0.364 1413 T C -2.417 172.281 174.700 -0.004 0.000 1.636 1413 T CA -1.620 60.489 62.100 0.015 0.000 1.211 1413 T CB 0.202 69.094 68.868 0.041 0.000 1.180 1413 T HN 0.503 nan 8.240 nan 0.000 0.730 1414 P HA 0.058 nan 4.420 nan 0.000 0.260 1414 P C -0.382 176.844 177.300 -0.123 0.000 1.185 1414 P CA -0.132 62.921 63.100 -0.078 0.000 0.763 1414 P CB 0.232 31.869 31.700 -0.104 0.000 0.776 1415 V N 3.114 122.939 119.914 -0.147 0.000 2.304 1415 V HA 0.427 4.529 4.120 -0.030 0.000 0.262 1415 V C 0.776 176.671 176.094 -0.331 0.000 1.061 1415 V CA -0.967 61.145 62.300 -0.313 0.000 0.872 1415 V CB 0.066 31.520 31.823 -0.614 0.000 1.077 1415 V HN 0.587 nan 8.190 nan 0.000 0.480 1416 A N 6.298 128.923 122.820 -0.324 0.000 2.404 1416 A HA 0.651 4.954 4.320 -0.030 0.000 0.273 1416 A C -0.405 177.018 177.584 -0.267 0.000 1.144 1416 A CA -0.367 51.433 52.037 -0.395 0.000 0.806 1416 A CB 0.100 18.927 19.000 -0.288 0.000 1.080 1416 A HN 1.052 nan 8.150 nan 0.000 0.509 1417 W N 1.998 123.149 121.300 -0.247 0.000 2.929 1417 W HA 0.785 5.427 4.660 -0.030 0.000 0.345 1417 W C -0.894 175.569 176.519 -0.093 0.000 1.151 1417 W CA -1.097 56.130 57.345 -0.197 0.000 1.111 1417 W CB 1.182 30.494 29.460 -0.246 0.000 1.449 1417 W HN 0.446 nan 8.180 nan 0.000 0.572 1418 K N 1.618 122.199 120.400 0.303 0.000 2.324 1418 K HA 0.397 4.699 4.320 -0.030 0.000 0.253 1418 K C -2.632 174.129 176.600 0.267 0.000 0.932 1418 K CA -1.736 54.674 56.287 0.205 0.000 0.799 1418 K CB 2.174 34.734 32.500 0.099 0.000 1.154 1418 K HN 0.095 nan 8.250 nan 0.000 0.425 1419 P HA 0.051 nan 4.420 nan 0.000 0.268 1419 P C -1.068 176.317 177.300 0.141 0.000 1.205 1419 P CA -0.381 62.831 63.100 0.187 0.000 0.771 1419 P CB 0.447 32.237 31.700 0.151 0.000 0.858 1420 L N 4.239 125.543 121.223 0.136 0.000 2.365 1420 L HA 0.546 4.869 4.340 -0.030 0.000 0.273 1420 L C -1.309 175.644 176.870 0.138 0.000 1.000 1420 L CA -0.803 54.111 54.840 0.123 0.000 0.819 1420 L CB 1.696 43.830 42.059 0.126 0.000 1.284 1420 L HN 0.158 nan 8.230 nan 0.000 0.418 1421 L N 5.984 127.293 121.223 0.142 0.000 2.287 1421 L HA 0.694 5.016 4.340 -0.030 0.000 0.287 1421 L C -0.725 176.266 176.870 0.200 0.000 1.022 1421 L CA -0.091 54.863 54.840 0.190 0.000 0.814 1421 L CB 0.980 43.196 42.059 0.261 0.000 1.217 1421 L HN 0.674 nan 8.230 nan 0.000 0.420 1422 M N 3.299 123.004 119.600 0.176 0.000 2.457 1422 M HA 0.628 5.091 4.480 -0.030 0.000 0.300 1422 M C 0.339 176.724 176.300 0.143 0.000 1.141 1422 M CA -0.794 54.588 55.300 0.137 0.000 0.901 1422 M CB 1.473 34.097 32.600 0.040 0.000 1.687 1422 M HN 0.580 nan 8.290 nan 0.000 0.449 1423 G N 0.962 109.844 108.800 0.136 0.000 2.491 1423 G HA2 0.294 4.237 3.960 -0.030 0.000 0.238 1423 G HA3 0.294 4.237 3.960 -0.030 0.000 0.238 1423 G C 0.729 175.702 174.900 0.122 0.000 1.277 1423 G CA -0.599 44.585 45.100 0.139 0.000 0.851 1423 G HN 0.698 nan 8.290 nan 0.000 0.573 1424 V N 1.852 121.863 119.914 0.161 0.000 2.439 1424 V HA -0.208 3.894 4.120 -0.030 0.000 0.253 1424 V C 3.020 179.167 176.094 0.088 0.000 1.074 1424 V CA 2.791 65.174 62.300 0.139 0.000 1.076 1424 V CB -0.532 31.382 31.823 0.152 0.000 0.664 1424 V HN 0.897 nan 8.190 nan 0.000 0.461 1425 T N -0.929 113.672 114.554 0.077 0.000 2.701 1425 T HA -0.204 4.128 4.350 -0.030 0.000 0.263 1425 T C 1.903 176.580 174.700 -0.038 0.000 1.040 1425 T CA 1.970 64.095 62.100 0.041 0.000 1.147 1425 T CB -0.144 68.752 68.868 0.045 0.000 0.865 1425 T HN 0.534 nan 8.240 nan 0.000 0.426 1426 K N 0.615 120.991 120.400 -0.040 0.000 2.057 1426 K HA -0.059 4.243 4.320 -0.030 0.000 0.207 1426 K C 2.597 179.087 176.600 -0.183 0.000 1.049 1426 K CA 1.473 57.691 56.287 -0.116 0.000 0.931 1426 K CB -0.419 32.038 32.500 -0.072 0.000 0.714 1426 K HN 0.090 nan 8.250 nan 0.000 0.440 1427 S N -0.322 115.319 115.700 -0.098 0.000 2.381 1427 S HA -0.239 4.213 4.470 -0.030 0.000 0.230 1427 S C 1.835 176.368 174.600 -0.111 0.000 1.052 1427 S CA 1.686 59.836 58.200 -0.084 0.000 1.068 1427 S CB -0.361 62.909 63.200 0.118 0.000 0.918 1427 S HN 0.574 nan 8.310 nan 0.000 0.448 1428 A N -0.107 122.671 122.820 -0.070 0.000 2.030 1428 A HA 0.287 4.590 4.320 -0.030 0.000 0.215 1428 A C 1.953 179.272 177.584 -0.442 0.000 1.164 1428 A CA 0.446 52.433 52.037 -0.083 0.000 0.697 1428 A CB -0.432 18.645 19.000 0.129 0.000 0.827 1428 A HN 0.496 nan 8.150 nan 0.000 0.457 1429 L N 0.581 121.471 121.223 -0.555 0.000 2.450 1429 L HA -0.033 4.289 4.340 -0.030 0.000 0.224 1429 L C 0.352 176.899 176.870 -0.538 0.000 1.149 1429 L CA 1.346 55.716 54.840 -0.783 0.000 0.816 1429 L CB 0.032 41.789 42.059 -0.504 0.000 0.932 1429 L HN 0.418 nan 8.230 nan 0.000 0.449 1430 S N -1.733 113.723 115.700 -0.407 0.000 2.496 1430 S HA 0.491 4.943 4.470 -0.030 0.000 0.221 1430 S C -0.195 174.252 174.600 -0.255 0.000 1.260 1430 S CA -0.266 57.735 58.200 -0.331 0.000 1.181 1430 S CB 0.841 63.833 63.200 -0.348 0.000 1.136 1430 S HN 0.243 nan 8.310 nan 0.000 0.467 1431 T N -0.017 114.474 114.554 -0.106 0.000 2.742 1431 T HA 0.570 4.902 4.350 -0.030 0.000 0.282 1431 T C 1.093 175.839 174.700 0.076 0.000 1.025 1431 T CA -0.651 61.492 62.100 0.071 0.000 1.020 1431 T CB 1.132 70.071 68.868 0.118 0.000 1.317 1431 T HN 0.371 nan 8.240 nan 0.000 0.538 1432 K N 1.425 121.894 120.400 0.115 0.000 1.988 1432 K HA -0.028 4.274 4.320 -0.030 0.000 0.221 1432 K C 1.113 177.733 176.600 0.032 0.000 1.053 1432 K CA 1.757 58.080 56.287 0.060 0.000 0.959 1432 K CB -1.317 31.186 32.500 0.005 0.000 0.728 1432 K HN 0.699 nan 8.250 nan 0.000 0.447 1433 S N 0.574 116.262 115.700 -0.020 0.000 2.528 1433 S HA 0.130 4.582 4.470 -0.030 0.000 0.277 1433 S C 0.721 175.308 174.600 -0.023 0.000 1.297 1433 S CA -0.465 57.689 58.200 -0.076 0.000 1.052 1433 S CB 0.330 63.418 63.200 -0.186 0.000 0.917 1433 S HN 0.599 nan 8.310 nan 0.000 0.492 1434 W N 3.861 125.164 121.300 0.004 0.000 2.467 1434 W HA 0.097 4.739 4.660 -0.029 0.000 0.275 1434 W C 1.064 177.601 176.519 0.030 0.000 1.239 1434 W CA 0.040 57.386 57.345 0.003 0.000 1.266 1434 W CB -0.706 28.759 29.460 0.008 0.000 1.112 1434 W HN 0.530 nan 8.180 nan 0.000 0.576 1435 L N 1.410 122.111 121.223 -0.871 0.000 2.013 1435 L HA -0.260 4.062 4.340 -0.030 0.000 0.212 1435 L C 2.992 179.770 176.870 -0.154 0.000 1.073 1435 L CA 2.516 56.993 54.840 -0.605 0.000 0.753 1435 L CB -1.601 40.045 42.059 -0.687 0.000 0.890 1435 L HN 0.282 nan 8.230 nan 0.000 0.432 1436 S N -1.532 114.121 115.700 -0.078 0.000 2.382 1436 S HA -0.126 4.326 4.470 -0.030 0.000 0.228 1436 S C 2.013 176.790 174.600 0.296 0.000 1.027 1436 S CA 1.061 59.325 58.200 0.108 0.000 0.991 1436 S CB -0.200 63.107 63.200 0.178 0.000 0.823 1436 S HN 0.509 nan 8.310 nan 0.000 0.469 1437 A N 0.354 123.285 122.820 0.185 0.000 2.119 1437 A HA 0.451 4.753 4.320 -0.030 0.000 0.216 1437 A C 2.070 179.783 177.584 0.216 0.000 1.152 1437 A CA 1.196 53.322 52.037 0.149 0.000 0.708 1437 A CB -0.636 18.339 19.000 -0.041 0.000 0.805 1437 A HN 0.608 nan 8.150 nan 0.000 0.460 1438 A N -0.686 122.238 122.820 0.174 0.000 2.208 1438 A HA 0.184 4.486 4.320 -0.030 0.000 0.209 1438 A C 1.987 179.555 177.584 -0.028 0.000 1.161 1438 A CA 1.133 53.239 52.037 0.116 0.000 0.782 1438 A CB -0.383 18.745 19.000 0.213 0.000 0.816 1438 A HN 0.352 nan 8.150 nan 0.000 0.477 1439 S N -0.399 115.277 115.700 -0.040 0.000 2.522 1439 S HA 0.204 4.656 4.470 -0.030 0.000 0.227 1439 S C 0.196 174.246 174.600 -0.916 0.000 0.986 1439 S CA 0.212 58.169 58.200 -0.404 0.000 0.929 1439 S CB -0.273 62.771 63.200 -0.261 0.000 0.769 1439 S HN 0.486 nan 8.310 nan 0.000 0.529 1440 F N 1.028 120.708 119.950 -0.451 0.000 2.364 1440 F HA 0.478 4.987 4.527 -0.030 0.000 0.316 1440 F C 1.196 176.763 175.800 -0.389 0.000 1.133 1440 F CA -1.086 56.678 58.000 -0.395 0.000 1.051 1440 F CB 0.273 39.154 39.000 -0.199 0.000 1.342 1440 F HN -0.245 nan 8.300 nan 0.000 0.507 1441 Q N 1.037 120.810 119.800 -0.045 0.000 2.247 1441 Q HA 0.157 4.479 4.340 -0.030 0.000 0.234 1441 Q C -0.114 175.874 176.000 -0.020 0.000 0.899 1441 Q CA 0.174 55.944 55.803 -0.054 0.000 0.951 1441 Q CB -0.825 27.913 28.738 -0.000 0.000 1.057 1441 Q HN 0.520 nan 8.270 nan 0.000 0.444 1442 N N -2.549 116.137 118.700 -0.023 0.000 2.170 1442 N HA -0.044 4.678 4.740 -0.030 0.000 0.222 1442 N C 1.129 176.596 175.510 -0.073 0.000 1.218 1442 N CA 0.759 53.782 53.050 -0.045 0.000 0.889 1442 N CB 0.130 38.573 38.487 -0.073 0.000 1.083 1442 N HN 0.202 nan 8.380 nan 0.000 0.520 1443 T N -0.337 114.184 114.554 -0.054 0.000 2.718 1443 T HA -0.295 4.037 4.350 -0.030 0.000 0.266 1443 T C 1.787 176.382 174.700 -0.175 0.000 1.033 1443 T CA 2.359 64.437 62.100 -0.036 0.000 1.151 1443 T CB -1.209 67.677 68.868 0.030 0.000 0.853 1443 T HN 0.137 nan 8.240 nan 0.000 0.466 1444 T N 0.272 114.663 114.554 -0.273 0.000 2.759 1444 T HA -0.117 4.216 4.350 -0.030 0.000 0.269 1444 T C 1.653 175.903 174.700 -0.750 0.000 1.042 1444 T CA 1.737 63.395 62.100 -0.738 0.000 1.140 1444 T CB -0.524 68.048 68.868 -0.494 0.000 0.864 1444 T HN 0.834 nan 8.240 nan 0.000 0.455 1445 H N -0.035 118.766 119.070 -0.450 0.000 2.344 1445 H HA 0.062 4.601 4.556 -0.029 0.000 0.307 1445 H C 2.272 177.445 175.328 -0.259 0.000 1.057 1445 H CA 0.583 56.432 56.048 -0.332 0.000 1.373 1445 H CB 0.022 29.651 29.762 -0.222 0.000 1.421 1445 H HN 0.046 nan 8.280 nan 0.000 0.532 1446 V N 1.223 121.039 119.914 -0.162 0.000 2.277 1446 V HA -0.324 3.779 4.120 -0.030 0.000 0.253 1446 V C 2.542 178.608 176.094 -0.047 0.000 1.067 1446 V CA 1.919 64.135 62.300 -0.139 0.000 1.047 1446 V CB -0.570 31.228 31.823 -0.042 0.000 0.649 1446 V HN 0.325 nan 8.190 nan 0.000 0.447 1447 L N -0.979 120.204 121.223 -0.067 0.000 2.044 1447 L HA -0.098 4.225 4.340 -0.030 0.000 0.205 1447 L C 2.579 179.460 176.870 0.020 0.000 1.075 1447 L CA 2.210 57.042 54.840 -0.013 0.000 0.747 1447 L CB -1.100 41.071 42.059 0.187 0.000 0.903 1447 L HN 0.267 nan 8.230 nan 0.000 0.435 1448 T N -0.762 113.778 114.554 -0.024 0.000 2.564 1448 T HA -0.344 3.988 4.350 -0.030 0.000 0.264 1448 T C 1.804 176.422 174.700 -0.138 0.000 1.100 1448 T CA 2.120 64.249 62.100 0.049 0.000 1.171 1448 T CB -0.252 68.562 68.868 -0.089 0.000 0.863 1448 T HN 0.272 nan 8.240 nan 0.000 0.430 1449 E N 1.114 121.246 120.200 -0.113 0.000 2.038 1449 E HA -0.096 4.237 4.350 -0.030 0.000 0.195 1449 E C 2.281 178.790 176.600 -0.152 0.000 1.000 1449 E CA 1.690 58.003 56.400 -0.144 0.000 0.803 1449 E CB -0.822 28.838 29.700 -0.067 0.000 0.750 1449 E HN 0.445 nan 8.360 nan 0.000 0.448 1450 A N 0.726 123.476 122.820 -0.116 0.000 1.948 1450 A HA -0.155 4.147 4.320 -0.030 0.000 0.220 1450 A C 2.387 179.840 177.584 -0.219 0.000 1.177 1450 A CA 2.529 54.476 52.037 -0.150 0.000 0.636 1450 A CB -1.086 17.786 19.000 -0.213 0.000 0.815 1450 A HN 0.409 nan 8.150 nan 0.000 0.449 1451 A N -0.235 122.485 122.820 -0.167 0.000 1.825 1451 A HA -0.033 4.270 4.320 -0.030 0.000 0.214 1451 A C 1.941 179.494 177.584 -0.053 0.000 1.206 1451 A CA 1.589 53.589 52.037 -0.063 0.000 0.609 1451 A CB -0.834 18.270 19.000 0.172 0.000 0.851 1451 A HN 0.415 nan 8.150 nan 0.000 0.445 1452 I N 0.138 120.620 120.570 -0.147 0.000 2.227 1452 I HA -0.335 3.817 4.170 -0.030 0.000 0.250 1452 I C 2.505 178.436 176.117 -0.310 0.000 1.087 1452 I CA 1.675 62.777 61.300 -0.330 0.000 1.352 1452 I CB -0.341 37.238 38.000 -0.702 0.000 1.043 1452 I HN 0.355 nan 8.210 nan 0.000 0.425 1453 A N -0.564 122.117 122.820 -0.232 0.000 2.251 1453 A HA 0.457 4.759 4.320 -0.030 0.000 0.209 1453 A C 1.475 179.024 177.584 -0.058 0.000 1.187 1453 A CA 0.498 52.441 52.037 -0.157 0.000 0.823 1453 A CB -0.891 18.025 19.000 -0.140 0.000 0.846 1453 A HN 0.710 nan 8.150 nan 0.000 0.486 1454 G N 0.520 109.300 108.800 -0.034 0.000 2.460 1454 G HA2 -0.196 3.747 3.960 -0.030 0.000 0.259 1454 G HA3 -0.196 3.747 3.960 -0.030 0.000 0.259 1454 G C -0.360 174.546 174.900 0.010 0.000 0.959 1454 G CA 0.008 45.113 45.100 0.007 0.000 1.330 1454 G HN 0.256 nan 8.290 nan 0.000 0.451 1455 K N 1.653 122.048 120.400 -0.007 0.000 2.292 1455 K HA 0.199 4.501 4.320 -0.030 0.000 0.270 1455 K C 0.623 177.369 176.600 0.243 0.000 1.062 1455 K CA -0.437 55.907 56.287 0.096 0.000 0.916 1455 K CB 1.004 33.577 32.500 0.121 0.000 1.166 1455 K HN 0.492 nan 8.250 nan 0.000 0.458 1456 K N 2.486 123.006 120.400 0.200 0.000 2.262 1456 K HA 0.029 4.332 4.320 -0.030 0.000 0.288 1456 K C -0.070 176.663 176.600 0.220 0.000 1.090 1456 K CA -0.277 56.143 56.287 0.221 0.000 0.918 1456 K CB 0.537 33.107 32.500 0.116 0.000 1.139 1456 K HN 0.374 nan 8.250 nan 0.000 0.462 1457 D N 4.369 124.952 120.400 0.303 0.000 2.348 1457 D HA -0.048 4.574 4.640 -0.030 0.000 0.259 1457 D C -0.381 175.877 176.300 -0.070 0.000 1.296 1457 D CA 0.213 54.200 54.000 -0.020 0.000 0.931 1457 D CB 0.526 40.995 40.800 -0.551 0.000 1.067 1457 D HN 0.333 nan 8.370 nan 0.000 0.503 1458 E N 3.871 124.034 120.200 -0.062 0.000 2.265 1458 E HA 0.065 4.397 4.350 -0.030 0.000 0.272 1458 E C 0.249 176.773 176.600 -0.127 0.000 1.067 1458 E CA -0.336 56.018 56.400 -0.076 0.000 0.900 1458 E CB 1.139 30.795 29.700 -0.073 0.000 1.017 1458 E HN 0.500 nan 8.360 nan 0.000 0.431 1459 L N 5.306 126.462 121.223 -0.110 0.000 2.623 1459 L HA 0.012 4.334 4.340 -0.030 0.000 0.281 1459 L C 1.179 177.982 176.870 -0.112 0.000 1.150 1459 L CA 0.128 54.897 54.840 -0.119 0.000 0.965 1459 L CB -0.385 41.620 42.059 -0.091 0.000 1.303 1459 L HN 0.511 nan 8.230 nan 0.000 0.467 1460 I N 1.169 121.645 120.570 -0.156 0.000 2.962 1460 I HA 0.154 4.306 4.170 -0.030 0.000 0.246 1460 I C 1.831 177.888 176.117 -0.101 0.000 1.091 1460 I CA 0.360 61.552 61.300 -0.179 0.000 1.469 1460 I CB -0.365 37.398 38.000 -0.394 0.000 1.324 1460 I HN 0.577 nan 8.210 nan 0.000 0.461 1461 G N 0.713 109.468 108.800 -0.074 0.000 2.583 1461 G HA2 0.226 4.168 3.960 -0.030 0.000 0.275 1461 G HA3 0.226 4.168 3.960 -0.030 0.000 0.275 1461 G C 0.719 175.720 174.900 0.168 0.000 1.342 1461 G CA -0.295 44.852 45.100 0.078 0.000 1.030 1461 G HN 0.152 nan 8.290 nan 0.000 0.520 1462 L N -0.853 120.590 121.223 0.368 0.000 2.200 1462 L HA 0.123 4.445 4.340 -0.030 0.000 0.200 1462 L C 2.760 179.596 176.870 -0.057 0.000 1.072 1462 L CA 0.817 55.720 54.840 0.104 0.000 0.787 1462 L CB -0.607 41.503 42.059 0.086 0.000 0.957 1462 L HN 0.699 nan 8.230 nan 0.000 0.459 1463 K N 1.357 121.560 120.400 -0.330 0.000 2.001 1463 K HA -0.277 4.026 4.320 -0.030 0.000 0.223 1463 K C 1.982 178.466 176.600 -0.192 0.000 1.055 1463 K CA 2.655 58.684 56.287 -0.429 0.000 0.965 1463 K CB -0.241 31.752 32.500 -0.844 0.000 0.730 1463 K HN 0.423 nan 8.250 nan 0.000 0.449 1464 E N 0.271 120.397 120.200 -0.124 0.000 2.065 1464 E HA -0.292 4.041 4.350 -0.030 0.000 0.201 1464 E C 1.859 178.388 176.600 -0.118 0.000 1.016 1464 E CA 1.496 57.820 56.400 -0.128 0.000 0.818 1464 E CB -0.854 28.766 29.700 -0.134 0.000 0.749 1464 E HN 0.423 nan 8.360 nan 0.000 0.453 1465 N N 0.748 119.397 118.700 -0.085 0.000 2.585 1465 N HA -0.083 4.639 4.740 -0.030 0.000 0.188 1465 N C 1.634 177.104 175.510 -0.067 0.000 1.102 1465 N CA 0.592 53.598 53.050 -0.073 0.000 0.920 1465 N CB 0.299 38.756 38.487 -0.050 0.000 0.963 1465 N HN 0.110 nan 8.380 nan 0.000 0.447 1466 V N 0.564 120.433 119.914 -0.074 0.000 2.685 1466 V HA -0.033 4.070 4.120 -0.030 0.000 0.244 1466 V C 2.183 178.243 176.094 -0.057 0.000 1.054 1466 V CA 0.399 62.659 62.300 -0.065 0.000 1.076 1466 V CB -0.077 31.702 31.823 -0.073 0.000 0.725 1466 V HN 0.139 nan 8.190 nan 0.000 0.467 1467 I N 0.116 120.650 120.570 -0.061 0.000 2.145 1467 I HA -0.336 3.816 4.170 -0.030 0.000 0.244 1467 I C 2.316 178.412 176.117 -0.035 0.000 1.075 1467 I CA 1.885 63.160 61.300 -0.041 0.000 1.332 1467 I CB -0.463 37.511 38.000 -0.044 0.000 1.033 1467 I HN 0.236 nan 8.210 nan 0.000 0.410 1468 L N 0.470 121.664 121.223 -0.048 0.000 2.362 1468 L HA -0.087 4.235 4.340 -0.030 0.000 0.219 1468 L C 1.739 178.586 176.870 -0.039 0.000 1.134 1468 L CA 0.992 55.806 54.840 -0.043 0.000 0.807 1468 L CB -0.586 41.442 42.059 -0.052 0.000 0.927 1468 L HN 0.640 nan 8.230 nan 0.000 0.447 1469 G N -0.041 108.735 108.800 -0.040 0.000 2.148 1469 G HA2 -0.301 3.641 3.960 -0.030 0.000 0.254 1469 G HA3 -0.301 3.641 3.960 -0.030 0.000 0.254 1469 G C 0.485 175.359 174.900 -0.043 0.000 0.981 1469 G CA 0.066 45.143 45.100 -0.037 0.000 0.670 1469 G HN 0.327 nan 8.290 nan 0.000 0.528 1470 R N -0.931 119.540 120.500 -0.048 0.000 2.649 1470 R HA 0.473 4.795 4.340 -0.030 0.000 0.270 1470 R C 0.519 176.783 176.300 -0.059 0.000 1.105 1470 R CA -0.878 55.190 56.100 -0.054 0.000 1.193 1470 R CB 0.262 30.530 30.300 -0.053 0.000 1.120 1470 R HN 0.140 nan 8.270 nan 0.000 0.561 1471 L N 2.461 123.642 121.223 -0.071 0.000 2.453 1471 L HA 0.060 4.382 4.340 -0.030 0.000 0.272 1471 L C 0.083 176.916 176.870 -0.062 0.000 1.182 1471 L CA 0.434 55.226 54.840 -0.081 0.000 0.858 1471 L CB 0.316 42.307 42.059 -0.114 0.000 1.120 1471 L HN 0.386 nan 8.230 nan 0.000 0.474 1472 I N 7.445 127.983 120.570 -0.052 0.000 2.752 1472 I HA -0.028 4.124 4.170 -0.030 0.000 0.289 1472 I C -1.250 174.852 176.117 -0.026 0.000 1.197 1472 I CA -0.920 60.361 61.300 -0.033 0.000 1.432 1472 I CB 0.328 38.314 38.000 -0.023 0.000 1.359 1472 I HN 0.539 nan 8.210 nan 0.000 0.571 1473 P HA -0.020 nan 4.420 nan 0.000 0.230 1473 P C 0.986 178.294 177.300 0.014 0.000 1.158 1473 P CA 0.735 63.833 63.100 -0.002 0.000 0.769 1473 P CB 0.517 32.216 31.700 -0.001 0.000 0.807 1474 A N -0.623 122.205 122.820 0.013 0.000 1.909 1474 A HA 0.318 4.621 4.320 -0.030 0.000 0.209 1474 A C 2.008 179.599 177.584 0.011 0.000 1.247 1474 A CA 1.215 53.264 52.037 0.019 0.000 0.660 1474 A CB -1.367 17.647 19.000 0.022 0.000 0.910 1474 A HN 0.220 nan 8.150 nan 0.000 0.465 1475 G N -0.815 107.985 108.800 0.001 0.000 2.632 1475 G HA2 0.105 4.047 3.960 -0.030 0.000 0.183 1475 G HA3 0.105 4.047 3.960 -0.030 0.000 0.183 1475 G C 1.131 176.029 174.900 -0.003 0.000 1.592 1475 G CA 1.384 46.483 45.100 -0.003 0.000 0.880 1475 G HN 0.298 nan 8.290 nan 0.000 0.399 1476 T N 0.636 115.193 114.554 0.004 0.000 3.100 1476 T HA 0.171 4.503 4.350 -0.030 0.000 0.253 1476 T C 2.142 176.814 174.700 -0.047 0.000 1.118 1476 T CA 0.784 62.887 62.100 0.006 0.000 1.058 1476 T CB 0.123 69.050 68.868 0.098 0.000 0.953 1476 T HN 0.417 nan 8.240 nan 0.000 0.515 1477 G N 1.731 110.501 108.800 -0.049 0.000 2.679 1477 G HA2 -0.052 3.890 3.960 -0.030 0.000 0.212 1477 G HA3 -0.052 3.890 3.960 -0.030 0.000 0.212 1477 G C 0.818 175.690 174.900 -0.047 0.000 1.137 1477 G CA 0.156 45.210 45.100 -0.075 0.000 0.787 1477 G HN 0.546 nan 8.290 nan 0.000 0.534 1478 S N 0.954 116.652 115.700 -0.004 0.000 2.555 1478 S HA -0.011 4.441 4.470 -0.030 0.000 0.293 1478 S C 1.143 175.801 174.600 0.097 0.000 1.248 1478 S CA 0.042 58.282 58.200 0.067 0.000 1.096 1478 S CB 0.285 63.547 63.200 0.104 0.000 0.881 1478 S HN 0.371 nan 8.310 nan 0.000 0.498 1479 D N 3.690 124.186 120.400 0.160 0.000 2.315 1479 D HA -0.145 4.477 4.640 -0.030 0.000 0.211 1479 D C 1.231 177.815 176.300 0.472 0.000 0.977 1479 D CA 0.856 55.056 54.000 0.334 0.000 0.894 1479 D CB -0.196 40.812 40.800 0.347 0.000 0.910 1479 D HN 0.705 nan 8.370 nan 0.000 0.490 1480 F N 1.704 121.745 119.950 0.151 0.000 2.171 1480 F HA -0.154 4.355 4.527 -0.030 0.000 0.300 1480 F C 1.887 177.771 175.800 0.141 0.000 1.090 1480 F CA 0.932 59.010 58.000 0.130 0.000 1.293 1480 F CB -0.135 38.907 39.000 0.070 0.000 1.013 1480 F HN -0.194 nan 8.300 nan 0.000 0.486 1481 V N -0.749 119.230 119.914 0.107 0.000 3.604 1481 V HA 0.131 4.233 4.120 -0.030 0.000 0.277 1481 V C 2.060 178.112 176.094 -0.069 0.000 1.399 1481 V CA 0.037 62.304 62.300 -0.056 0.000 1.034 1481 V CB -0.238 31.479 31.823 -0.176 0.000 0.824 1481 V HN 0.046 nan 8.190 nan 0.000 0.439 1482 R N 0.797 121.169 120.500 -0.212 0.000 2.174 1482 R HA -0.140 4.182 4.340 -0.030 0.000 0.253 1482 R C -0.130 175.736 176.300 -0.725 0.000 1.165 1482 R CA 1.555 57.281 56.100 -0.623 0.000 0.984 1482 R CB -0.186 29.442 30.300 -1.120 0.000 0.873 1482 R HN 0.515 nan 8.270 nan 0.000 0.456 1483 F N -0.447 119.522 119.950 0.031 0.000 2.449 1483 F HA 0.395 4.905 4.527 -0.029 0.000 0.342 1483 F C -0.384 175.435 175.800 0.032 0.000 1.127 1483 F CA -0.808 57.212 58.000 0.033 0.000 0.975 1483 F CB 2.072 41.094 39.000 0.038 0.000 1.146 1483 F HN -0.325 nan 8.300 nan 0.000 0.444 1484 T N 2.460 117.115 114.554 0.169 0.000 4.128 1484 T HA 0.278 4.611 4.350 -0.030 0.000 0.376 1484 T C -0.941 173.809 174.700 0.082 0.000 1.109 1484 T CA -1.134 61.029 62.100 0.105 0.000 1.087 1484 T CB 1.247 70.145 68.868 0.049 0.000 1.190 1484 T HN 0.577 nan 8.240 nan 0.000 0.473 1485 Q N 1.202 121.046 119.800 0.073 0.000 2.241 1485 Q HA 0.909 5.232 4.340 -0.030 0.000 0.262 1485 Q C -0.717 175.307 176.000 0.040 0.000 1.014 1485 Q CA -1.276 54.563 55.803 0.059 0.000 0.885 1485 Q CB 1.970 30.745 28.738 0.061 0.000 1.311 1485 Q HN 0.421 nan 8.270 nan 0.000 0.461 1486 V N 0.569 120.503 119.914 0.033 0.000 2.769 1486 V HA 0.629 4.731 4.120 -0.030 0.000 0.312 1486 V C -0.404 175.702 176.094 0.021 0.000 1.061 1486 V CA -0.816 61.497 62.300 0.022 0.000 0.931 1486 V CB 1.839 33.671 31.823 0.014 0.000 1.010 1486 V HN 0.604 nan 8.190 nan 0.000 0.433 1487 V N 1.261 121.184 119.914 0.016 0.000 3.001 1487 V HA 0.623 4.726 4.120 -0.030 0.000 0.314 1487 V C -1.223 174.878 176.094 0.011 0.000 1.099 1487 V CA -0.753 61.556 62.300 0.015 0.000 0.989 1487 V CB 2.396 34.228 31.823 0.015 0.000 1.040 1487 V HN 0.929 nan 8.190 nan 0.000 0.434 1488 D N 1.376 121.783 120.400 0.011 0.000 2.498 1488 D HA 0.288 4.910 4.640 -0.030 0.000 0.247 1488 D C 0.322 176.628 176.300 0.010 0.000 1.070 1488 D CA -0.626 53.379 54.000 0.009 0.000 0.842 1488 D CB 2.270 43.076 40.800 0.009 0.000 1.361 1488 D HN 0.340 nan 8.370 nan 0.000 0.484 1489 Q N 0.936 120.741 119.800 0.008 0.000 2.308 1489 Q HA -0.155 4.167 4.340 -0.030 0.000 0.209 1489 Q C 1.395 177.401 176.000 0.009 0.000 0.985 1489 Q CA 1.255 57.064 55.803 0.009 0.000 0.881 1489 Q CB 0.024 28.766 28.738 0.008 0.000 0.917 1489 Q HN 0.507 nan 8.270 nan 0.000 0.443 1490 K N -0.243 120.162 120.400 0.009 0.000 2.097 1490 K HA -0.066 4.236 4.320 -0.030 0.000 0.205 1490 K C 2.060 178.665 176.600 0.010 0.000 1.050 1490 K CA 1.650 57.942 56.287 0.009 0.000 0.938 1490 K CB -0.222 32.283 32.500 0.008 0.000 0.718 1490 K HN 0.313 nan 8.250 nan 0.000 0.442 1491 T N -0.260 114.301 114.554 0.011 0.000 3.067 1491 T HA 0.044 4.376 4.350 -0.030 0.000 0.261 1491 T C 1.773 176.481 174.700 0.013 0.000 1.110 1491 T CA 0.032 62.140 62.100 0.012 0.000 1.113 1491 T CB 0.040 68.916 68.868 0.014 0.000 0.917 1491 T HN -0.027 nan 8.240 nan 0.000 0.499 1492 L N 1.052 122.282 121.223 0.012 0.000 2.044 1492 L HA 0.093 4.415 4.340 -0.030 0.000 0.205 1492 L C 2.199 179.076 176.870 0.011 0.000 1.075 1492 L CA 1.803 56.651 54.840 0.012 0.000 0.747 1492 L CB -0.683 41.383 42.059 0.012 0.000 0.903 1492 L HN 0.194 nan 8.230 nan 0.000 0.435 1493 K N 0.210 120.617 120.400 0.010 0.000 2.097 1493 K HA -0.009 4.294 4.320 -0.030 0.000 0.205 1493 K C 2.066 178.672 176.600 0.010 0.000 1.050 1493 K CA 1.223 57.515 56.287 0.009 0.000 0.938 1493 K CB -0.715 31.790 32.500 0.009 0.000 0.718 1493 K HN 0.309 nan 8.250 nan 0.000 0.442 1494 A N 1.459 124.285 122.820 0.010 0.000 1.933 1494 A HA -0.138 4.164 4.320 -0.030 0.000 0.218 1494 A C 2.220 179.810 177.584 0.011 0.000 1.175 1494 A CA 1.281 53.324 52.037 0.010 0.000 0.628 1494 A CB -0.458 18.548 19.000 0.011 0.000 0.814 1494 A HN 0.199 nan 8.150 nan 0.000 0.444 1495 I N -0.421 120.156 120.570 0.012 0.000 2.500 1495 I HA -0.094 4.058 4.170 -0.030 0.000 0.252 1495 I C 2.093 178.217 176.117 0.011 0.000 1.142 1495 I CA 1.649 62.957 61.300 0.012 0.000 1.451 1495 I CB -0.132 37.877 38.000 0.014 0.000 1.093 1495 I HN 0.404 nan 8.210 nan 0.000 0.430 1496 E N 0.578 120.784 120.200 0.010 0.000 2.274 1496 E HA -0.187 4.146 4.350 -0.030 0.000 0.194 1496 E C 1.796 178.401 176.600 0.009 0.000 0.996 1496 E CA 1.102 57.508 56.400 0.010 0.000 0.840 1496 E CB -0.187 29.519 29.700 0.009 0.000 0.772 1496 E HN 0.363 nan 8.360 nan 0.000 0.491 1497 E N 0.184 120.390 120.200 0.009 0.000 2.204 1497 E HA -0.028 4.304 4.350 -0.030 0.000 0.194 1497 E C 1.852 178.457 176.600 0.008 0.000 0.989 1497 E CA 1.093 57.498 56.400 0.008 0.000 0.824 1497 E CB -0.515 29.190 29.700 0.008 0.000 0.756 1497 E HN 0.397 nan 8.360 nan 0.000 0.477 1498 A N 1.152 123.977 122.820 0.009 0.000 1.929 1498 A HA -0.123 4.180 4.320 -0.030 0.000 0.216 1498 A C 2.164 179.753 177.584 0.009 0.000 1.176 1498 A CA 1.096 53.138 52.037 0.009 0.000 0.628 1498 A CB -0.277 18.729 19.000 0.010 0.000 0.816 1498 A HN 0.090 nan 8.150 nan 0.000 0.444 1499 R N -0.193 120.312 120.500 0.009 0.000 2.092 1499 R HA -0.056 4.267 4.340 -0.030 0.000 0.231 1499 R C 2.126 178.431 176.300 0.007 0.000 1.119 1499 R CA 1.451 57.556 56.100 0.008 0.000 0.970 1499 R CB -0.235 30.070 30.300 0.008 0.000 0.864 1499 R HN 0.478 nan 8.270 nan 0.000 0.440 1500 K N 0.819 121.224 120.400 0.007 0.000 2.057 1500 K HA -0.173 4.129 4.320 -0.030 0.000 0.207 1500 K C 1.862 178.466 176.600 0.007 0.000 1.049 1500 K CA 1.349 57.640 56.287 0.007 0.000 0.931 1500 K CB -0.039 32.465 32.500 0.007 0.000 0.714 1500 K HN 0.231 nan 8.250 nan 0.000 0.440 1501 E N 0.321 120.525 120.200 0.007 0.000 2.267 1501 E HA -0.167 4.165 4.350 -0.030 0.000 0.197 1501 E C 1.761 178.365 176.600 0.006 0.000 0.998 1501 E CA 0.640 57.044 56.400 0.007 0.000 0.830 1501 E CB -0.035 29.669 29.700 0.007 0.000 0.751 1501 E HN 0.336 nan 8.360 nan 0.000 0.491 1502 A N 0.848 123.672 122.820 0.007 0.000 2.125 1502 A HA -0.073 4.229 4.320 -0.030 0.000 0.219 1502 A C 1.184 178.771 177.584 0.006 0.000 1.156 1502 A CA 0.412 52.453 52.037 0.006 0.000 0.671 1502 A CB -0.142 18.862 19.000 0.007 0.000 0.794 1502 A HN 0.038 nan 8.150 nan 0.000 0.459 1503 V N 2.584 122.502 119.914 0.006 0.000 2.450 1503 V HA 0.035 4.138 4.120 -0.030 0.000 0.281 1503 V C 0.022 176.119 176.094 0.005 0.000 1.019 1503 V CA -0.216 62.087 62.300 0.005 0.000 1.062 1503 V CB 0.061 31.887 31.823 0.005 0.000 0.979 1503 V HN 0.433 nan 8.190 nan 0.000 0.477 1504 E N 4.265 124.468 120.200 0.005 0.000 2.259 1504 E HA 0.577 4.910 4.350 -0.030 0.000 0.281 1504 E C 0.650 177.253 176.600 0.005 0.000 1.027 1504 E CA 0.401 56.804 56.400 0.005 0.000 0.838 1504 E CB 1.503 31.206 29.700 0.005 0.000 1.066 1504 E HN 0.988 nan 8.360 nan 0.000 0.401 1505 A N 0.000 122.823 122.820 0.004 0.000 2.254 1505 A HA 0.000 4.302 4.320 -0.030 0.000 0.244 1505 A CA 0.000 52.039 52.037 0.004 0.000 0.836 1505 A CB 0.000 19.002 19.000 0.004 0.000 0.831 1505 A HN 0.000 nan 8.150 nan 0.000 0.486