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 3cqz_1_A DATA FIRST_RESID 6 DATA SEQUENCE YSSAPLRTVK EVQFGLFSPE EVRAISVAKI RFPETXXXXX XXAKIGGLND DATA SEQUENCE PRLGSIDRNL KCQTCQEGMN ECPGHFGHID LAKPVFHVGF IAKIKKVCEC DATA SEQUENCE VCMHCGKLLL DEHNELMRQA LAIKDSKKRF AAIWTLCKTK MVCETDVPSE DATA SEQUENCE DDPTQLVSRG GCGNTQPTIR KDGLKLVGSW KKXXXXXXXX EPELRVLSTE DATA SEQUENCE EILNIFKHIS VKDFTSLGFN EVFSRPEWMI LTCLPVPPPP VRPXXXXXXX DATA SEQUENCE XXXXXXXTFK LADILKANIS LETLEHNGAP HHAIEEAESL LQFHVATYMX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DFSARTVISG DATA SEQUENCE DPNLELDQVG VPKSIAKTLT YPEVVTPYNI DRLTQLVRNG PNEHPGAKYV DATA SEQUENCE IRDSGDRIDL RYSKRAGDIQ LQYGWKVERH IMDNDPVLFN RQPSLHKMSM DATA SEQUENCE MAHRVKVIPY STFRLNLSVT SPYNADFDGD EMNLHVPQSE ETRAELSQLC DATA SEQUENCE AVPLQIVSPQ SNKPCMGIVQ DTLCGIRKLT LRDTFIELDQ VLNMLYWVPD DATA SEQUENCE WDGVIPTPAI IKPKPLWSGK QILSVAIPNG IHLQRFDEGT TLLSPKDNGM DATA SEQUENCE LIIDGQIIFG VVEKKTVGSS NGGLIHVVTR EKGPQVCAKL FGNIQKVVNF DATA SEQUENCE WLLHNGFSTG IGDTIADGPT MREITETIAE AKKKVLDVTK EAQANLLTAK DATA SEQUENCE HGMTLRESFE DNVVRFLNEA RDKAGRLAEV NLKDLNNVKQ MVMAGSKGSF DATA SEQUENCE INIAQMSACV GQQSVEGKRI AFGFVDRTLP HFSKDDYSPE SKGFVENSYL DATA SEQUENCE RGLTPQEFFF HAMGGREGLI DTAVKTAETG YIQRRLVKAL EDIMVHYDNT DATA SEQUENCE TRNSLGNVIQ FIYGEDGMDA AHIEKQSLDT IGGSDAAFEK RYRVDLLNTD DATA SEQUENCE HTLDPSLLES GSEILGDLKL QVLLDEEYKQ LVKDRKFLRE VFVDGEANWP DATA SEQUENCE LPVNIRRIIQ NAQQTFHIDH TKPSDLTIKD IVLGVKDLQE NLLVLRGKNE DATA SEQUENCE IIQNAQRDAV TLFCCLLRSR LATRRVLQEY RLTKQAFDWV LSNIEAQFLR DATA SEQUENCE SVVHPGEMVG VLAAQSIGEP ATQMTLNTFH FAGVASKKVT SGVPRLKEIL DATA SEQUENCE NVAKNMKTPS LTVYLEPGHA ADQEQAKLIR SAIEHTTLKS VTIASEIYYD DATA SEQUENCE PDPRSTVIPE DEEIIQLHFS LLDXXXXXXX XQQSPWLLRL ELDRAAMNDK DATA SEQUENCE DLTMGQVGER IKQTFKNDLF VIWSEDNDEK LIIRCRVVXX XXXXXXXEAE DATA SEQUENCE EDHMLKKIEN TMLENITLRG VENIERVVMM KYDRKVPSPT GEYVKEPEWV DATA SEQUENCE LETDGVNLSE VMTVPGIDPT RIYTNSFIDI MEVLGIEAGR AALYKEVYNV DATA SEQUENCE IASDGSYVNY RHMALLVDVM TTQGGLTSVT RHGXXXXXXX XXMRCSFEET DATA SEQUENCE VEILFEAGAS AELDDCRGVS ENVILGQMAP IGTGAFDVMI DEESL 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 6 Y HA 0.000 nan 4.550 nan 0.000 0.201 6 Y C 0.000 175.906 175.900 0.011 0.000 1.272 6 Y CA 0.000 58.106 58.100 0.010 0.000 1.940 6 Y CB 0.000 38.466 38.460 0.010 0.000 1.050 7 S N 3.533 118.770 115.700 -0.772 0.000 2.454 7 S HA 0.377 4.846 4.470 -0.001 0.000 0.306 7 S C 0.793 174.876 174.600 -0.862 0.000 1.100 7 S CA 0.144 57.957 58.200 -0.646 0.000 1.087 7 S CB 1.641 64.672 63.200 -0.281 0.000 1.019 7 S HN 0.932 nan 8.310 nan 0.000 0.480 8 S N 3.804 119.182 115.700 -0.537 0.000 2.400 8 S HA -0.001 4.468 4.470 -0.001 0.000 0.232 8 S C 0.984 175.490 174.600 -0.158 0.000 1.025 8 S CA 1.088 59.117 58.200 -0.285 0.000 0.993 8 S CB -0.669 62.453 63.200 -0.130 0.000 0.808 8 S HN 1.000 nan 8.310 nan 0.000 0.478 9 A N 2.759 125.492 122.820 -0.145 0.000 2.477 9 A HA 0.448 4.767 4.320 -0.001 0.000 0.246 9 A C -1.923 175.631 177.584 -0.050 0.000 1.078 9 A CA -1.172 50.819 52.037 -0.076 0.000 0.770 9 A CB -0.314 18.647 19.000 -0.065 0.000 1.011 9 A HN 0.447 nan 8.150 nan 0.000 0.494 10 P HA 0.083 nan 4.420 nan 0.000 0.260 10 P C -0.452 176.843 177.300 -0.009 0.000 1.172 10 P CA -0.072 63.024 63.100 -0.006 0.000 0.760 10 P CB 0.168 31.867 31.700 -0.002 0.000 0.773 11 L N 4.975 126.199 121.223 0.001 0.000 2.380 11 L HA 0.341 4.680 4.340 -0.001 0.000 0.273 11 L C 0.292 177.161 176.870 -0.002 0.000 1.138 11 L CA 0.650 55.490 54.840 -0.000 0.000 0.832 11 L CB 0.080 42.146 42.059 0.011 0.000 1.124 11 L HN 0.332 nan 8.230 nan 0.000 0.454 12 R N 1.812 122.307 120.500 -0.008 0.000 2.734 12 R HA 0.511 4.850 4.340 -0.001 0.000 0.271 12 R C -0.930 175.361 176.300 -0.015 0.000 1.021 12 R CA -0.343 55.750 56.100 -0.011 0.000 0.893 12 R CB 1.681 31.973 30.300 -0.014 0.000 1.244 12 R HN 0.785 nan 8.270 nan 0.000 0.464 13 T N -2.430 112.113 114.554 -0.018 0.000 2.944 13 T HA 0.532 4.881 4.350 -0.001 0.000 0.284 13 T C 0.203 174.886 174.700 -0.029 0.000 1.010 13 T CA -0.685 61.401 62.100 -0.024 0.000 1.025 13 T CB 1.374 70.227 68.868 -0.025 0.000 1.079 13 T HN 0.145 nan 8.240 nan 0.000 0.516 14 V N 3.234 123.127 119.914 -0.035 0.000 2.530 14 V HA 0.280 4.399 4.120 -0.001 0.000 0.282 14 V C 1.036 177.106 176.094 -0.041 0.000 1.048 14 V CA -0.450 61.823 62.300 -0.045 0.000 0.997 14 V CB 0.926 32.715 31.823 -0.056 0.000 0.987 14 V HN 0.901 nan 8.190 nan 0.000 0.477 15 K N 2.386 122.761 120.400 -0.041 0.000 2.365 15 K HA 0.349 4.668 4.320 -0.001 0.000 0.195 15 K C 0.312 176.888 176.600 -0.039 0.000 1.079 15 K CA 0.341 56.609 56.287 -0.032 0.000 0.979 15 K CB 1.026 33.513 32.500 -0.022 0.000 0.929 15 K HN 0.684 nan 8.250 nan 0.000 0.523 16 E N 0.735 120.899 120.200 -0.061 0.000 2.340 16 E HA 0.357 4.706 4.350 -0.001 0.000 0.273 16 E C -1.365 175.154 176.600 -0.134 0.000 0.891 16 E CA -0.649 55.704 56.400 -0.079 0.000 0.757 16 E CB 3.134 32.789 29.700 -0.075 0.000 1.231 16 E HN -0.276 nan 8.360 nan 0.000 0.439 17 V N 2.509 122.319 119.914 -0.174 0.000 2.444 17 V HA 0.190 4.309 4.120 -0.001 0.000 0.294 17 V C -0.551 175.296 176.094 -0.413 0.000 1.022 17 V CA -0.769 61.329 62.300 -0.336 0.000 0.850 17 V CB 1.584 33.143 31.823 -0.440 0.000 0.992 17 V HN 0.557 nan 8.190 nan 0.000 0.426 18 Q N 4.311 123.829 119.800 -0.470 0.000 2.360 18 Q HA 0.497 4.836 4.340 -0.001 0.000 0.254 18 Q C -1.053 174.599 176.000 -0.579 0.000 0.975 18 Q CA -0.003 55.494 55.803 -0.510 0.000 0.912 18 Q CB 0.599 28.936 28.738 -0.669 0.000 1.212 18 Q HN 0.536 nan 8.270 nan 0.000 0.452 19 F N 2.025 121.835 119.950 -0.233 0.000 2.410 19 F HA 0.725 5.251 4.527 -0.001 0.000 0.334 19 F C 1.333 177.052 175.800 -0.135 0.000 1.134 19 F CA 1.035 58.944 58.000 -0.152 0.000 1.227 19 F CB 1.437 40.391 39.000 -0.076 0.000 1.194 19 F HN 0.648 nan 8.300 nan 0.000 0.571 20 G N 1.047 109.938 108.800 0.152 0.000 2.451 20 G HA2 0.505 4.464 3.960 -0.001 0.000 0.292 20 G HA3 0.505 4.464 3.960 -0.001 0.000 0.292 20 G C -2.163 172.842 174.900 0.174 0.000 1.427 20 G CA -1.075 44.131 45.100 0.176 0.000 0.792 20 G HN 0.530 nan 8.290 nan 0.000 0.498 21 L N 0.257 121.632 121.223 0.254 0.000 2.309 21 L HA 0.499 4.839 4.340 -0.001 0.000 0.282 21 L C -0.381 176.593 176.870 0.173 0.000 1.036 21 L CA -0.818 54.178 54.840 0.260 0.000 0.806 21 L CB 1.513 43.768 42.059 0.327 0.000 1.220 21 L HN 0.396 nan 8.230 nan 0.000 0.429 22 F N 1.905 121.885 119.950 0.049 0.000 2.538 22 F HA -0.020 4.506 4.527 -0.001 0.000 0.382 22 F C 1.251 176.797 175.800 -0.423 0.000 1.069 22 F CA 0.406 58.316 58.000 -0.150 0.000 1.138 22 F CB 0.532 39.477 39.000 -0.091 0.000 1.068 22 F HN 0.476 nan 8.300 nan 0.000 0.556 23 S N 6.975 122.264 115.700 -0.686 0.000 2.566 23 S HA 0.087 4.556 4.470 -0.001 0.000 0.280 23 S C -1.062 173.210 174.600 -0.547 0.000 1.343 23 S CA -1.085 56.314 58.200 -1.334 0.000 1.036 23 S CB 0.804 63.144 63.200 -1.432 0.000 0.866 23 S HN 0.455 nan 8.310 nan 0.000 0.526 24 P HA -0.087 nan 4.420 nan 0.000 0.217 24 P C 0.838 178.005 177.300 -0.221 0.000 1.150 24 P CA 1.246 64.210 63.100 -0.226 0.000 0.832 24 P CB 0.024 31.656 31.700 -0.114 0.000 0.787 25 E N 0.154 120.223 120.200 -0.218 0.000 2.110 25 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 25 E C 2.189 178.686 176.600 -0.172 0.000 0.988 25 E CA 1.110 57.412 56.400 -0.165 0.000 0.804 25 E CB -0.627 29.005 29.700 -0.113 0.000 0.745 25 E HN 0.437 nan 8.360 nan 0.000 0.458 26 E N 0.070 120.157 120.200 -0.188 0.000 2.107 26 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 26 E C 1.886 178.386 176.600 -0.166 0.000 0.982 26 E CA 0.860 57.195 56.400 -0.108 0.000 0.809 26 E CB 0.215 29.913 29.700 -0.005 0.000 0.756 26 E HN 0.068 nan 8.360 nan 0.000 0.459 27 V N 1.148 120.881 119.914 -0.301 0.000 2.332 27 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 27 V C 2.485 178.361 176.094 -0.364 0.000 1.055 27 V CA 2.115 64.141 62.300 -0.456 0.000 1.038 27 V CB -0.583 30.962 31.823 -0.465 0.000 0.651 27 V HN 0.247 nan 8.190 nan 0.000 0.450 28 R N -0.155 120.117 120.500 -0.379 0.000 2.073 28 R HA -0.136 4.203 4.340 -0.001 0.000 0.234 28 R C 2.469 178.602 176.300 -0.278 0.000 1.134 28 R CA 1.498 57.311 56.100 -0.479 0.000 0.952 28 R CB -0.639 29.433 30.300 -0.381 0.000 0.850 28 R HN 0.537 nan 8.270 nan 0.000 0.433 29 A N 1.170 123.882 122.820 -0.180 0.000 1.986 29 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 29 A C 2.024 179.569 177.584 -0.064 0.000 1.171 29 A CA 1.891 53.869 52.037 -0.099 0.000 0.640 29 A CB -0.568 18.392 19.000 -0.068 0.000 0.811 29 A HN 0.563 nan 8.150 nan 0.000 0.451 30 I N -2.850 117.677 120.570 -0.072 0.000 4.057 30 I HA 0.189 4.358 4.170 -0.001 0.000 0.334 30 I C 0.690 176.827 176.117 0.033 0.000 1.308 30 I CA 0.258 61.553 61.300 -0.009 0.000 1.125 30 I CB 0.165 38.167 38.000 0.004 0.000 1.034 30 I HN 0.146 nan 8.210 nan 0.000 0.401 31 S N 1.629 117.333 115.700 0.007 0.000 2.572 31 S HA 0.245 4.715 4.470 -0.001 0.000 0.279 31 S C 1.081 175.742 174.600 0.101 0.000 1.341 31 S CA -0.178 58.087 58.200 0.108 0.000 1.043 31 S CB 1.632 64.969 63.200 0.228 0.000 0.887 31 S HN 0.329 nan 8.310 nan 0.000 0.516 32 V N -1.616 118.362 119.914 0.107 0.000 3.650 32 V HA 0.660 4.779 4.120 -0.001 0.000 0.271 32 V C 0.569 176.682 176.094 0.032 0.000 1.281 32 V CA 0.300 62.629 62.300 0.048 0.000 1.120 32 V CB -1.365 30.460 31.823 0.003 0.000 0.856 32 V HN 1.236 nan 8.190 nan 0.000 0.443 33 A N 0.041 122.896 122.820 0.058 0.000 2.512 33 A HA 0.534 4.853 4.320 -0.001 0.000 0.294 33 A C -0.595 176.956 177.584 -0.056 0.000 1.054 33 A CA -0.704 51.333 52.037 -0.000 0.000 0.756 33 A CB 1.114 20.089 19.000 -0.042 0.000 1.293 33 A HN 0.228 nan 8.150 nan 0.000 0.395 34 K N 1.993 122.320 120.400 -0.123 0.000 2.412 34 K HA 0.494 4.813 4.320 -0.001 0.000 0.281 34 K C -0.953 175.394 176.600 -0.423 0.000 1.027 34 K CA 0.330 56.334 56.287 -0.472 0.000 0.989 34 K CB 0.231 32.592 32.500 -0.233 0.000 0.935 34 K HN 0.591 nan 8.250 nan 0.000 0.475 35 I N 4.483 124.743 120.570 -0.516 0.000 2.436 35 I HA 0.346 4.516 4.170 -0.001 0.000 0.289 35 I C -0.049 175.817 176.117 -0.418 0.000 1.010 35 I CA -0.646 60.414 61.300 -0.400 0.000 1.098 35 I CB 1.631 39.465 38.000 -0.277 0.000 1.266 35 I HN 0.589 nan 8.210 nan 0.000 0.434 36 R N 7.442 127.612 120.500 -0.551 0.000 2.719 36 R HA 0.199 4.538 4.340 -0.001 0.000 0.175 36 R C -2.301 173.581 176.300 -0.697 0.000 1.355 36 R CA -0.276 55.543 56.100 -0.469 0.000 1.082 36 R CB 0.204 30.309 30.300 -0.326 0.000 1.468 36 R HN 0.549 nan 8.270 nan 0.000 0.682 37 F N 0.519 120.430 119.950 -0.065 0.000 2.630 37 F HA 0.466 4.992 4.527 -0.001 0.000 0.325 37 F C -2.083 173.685 175.800 -0.053 0.000 1.184 37 F CA -2.137 55.829 58.000 -0.056 0.000 1.011 37 F CB 1.678 40.649 39.000 -0.049 0.000 1.268 37 F HN -0.051 nan 8.300 nan 0.000 0.480 38 P HA 0.131 nan 4.420 nan 0.000 0.244 38 P C -0.951 176.376 177.300 0.045 0.000 1.723 38 P CA 0.621 63.745 63.100 0.039 0.000 1.110 38 P CB 0.196 31.898 31.700 0.003 0.000 1.972 39 E N -0.079 120.161 120.200 0.066 0.000 2.363 39 E HA 0.320 4.669 4.350 -0.001 0.000 0.281 39 E C -0.167 176.464 176.600 0.050 0.000 0.953 39 E CA -0.653 55.775 56.400 0.046 0.000 0.778 39 E CB 1.673 31.398 29.700 0.041 0.000 1.220 39 E HN 0.176 nan 8.360 nan 0.000 0.431 49 K N -0.167 120.230 120.400 -0.005 0.000 2.929 49 K HA -0.068 4.251 4.320 -0.001 0.000 0.841 49 K C 0.044 176.646 176.600 0.002 0.000 2.475 49 K CA 0.679 56.965 56.287 -0.001 0.000 1.503 49 K CB -1.348 31.150 32.500 -0.003 0.000 2.737 49 K HN 2.131 nan 8.250 nan 0.000 0.174 50 I N -1.404 119.170 120.570 0.006 0.000 9.167 50 I HA -0.014 4.155 4.170 -0.001 0.000 0.127 50 I C 0.511 176.637 176.117 0.016 0.000 1.869 50 I CA 2.369 63.676 61.300 0.011 0.000 2.039 50 I CB -0.420 37.586 38.000 0.010 0.000 3.968 50 I HN 1.487 nan 8.210 nan 0.000 0.170 51 G N 3.489 112.306 108.800 0.027 0.000 2.978 51 G HA2 0.405 4.364 3.960 -0.001 0.000 0.193 51 G HA3 0.405 4.364 3.960 -0.001 0.000 0.193 51 G C 0.576 175.510 174.900 0.057 0.000 1.038 51 G CA 0.352 45.471 45.100 0.032 0.000 1.103 51 G HN 1.854 nan 8.290 nan 0.000 0.574 52 G N 1.343 110.201 108.800 0.096 0.000 2.912 52 G HA2 0.089 4.048 3.960 -0.001 0.000 0.214 52 G HA3 0.089 4.048 3.960 -0.001 0.000 0.214 52 G C 1.111 176.117 174.900 0.178 0.000 1.341 52 G CA 1.115 46.340 45.100 0.208 0.000 0.794 52 G HN 1.770 nan 8.290 nan 0.000 0.691 53 L N 1.250 122.525 121.223 0.086 0.000 3.635 53 L HA -0.147 4.192 4.340 -0.001 0.000 0.531 53 L C -0.472 176.414 176.870 0.027 0.000 1.009 53 L CA 0.021 54.851 54.840 -0.017 0.000 0.944 53 L CB -2.331 39.597 42.059 -0.218 0.000 0.915 53 L HN 0.409 nan 8.230 nan 0.000 0.680 54 N N 2.129 120.849 118.700 0.033 0.000 2.402 54 N HA 0.651 5.390 4.740 -0.001 0.000 0.294 54 N C -0.502 175.022 175.510 0.024 0.000 1.203 54 N CA -0.865 52.185 53.050 -0.000 0.000 0.838 54 N CB 1.541 40.013 38.487 -0.024 0.000 1.306 54 N HN 0.314 nan 8.380 nan 0.000 0.510 55 D N 0.635 121.042 120.400 0.012 0.000 2.438 55 D HA 0.282 4.921 4.640 -0.001 0.000 0.257 55 D C -1.844 174.453 176.300 -0.006 0.000 1.148 55 D CA -1.030 52.966 54.000 -0.006 0.000 0.902 55 D CB 1.184 41.979 40.800 -0.008 0.000 1.062 55 D HN 0.119 nan 8.370 nan 0.000 0.518 56 P HA -0.309 nan 4.420 nan 0.000 0.242 56 P C 0.522 177.815 177.300 -0.012 0.000 0.919 56 P CA 1.689 64.783 63.100 -0.010 0.000 1.082 56 P CB 0.084 31.770 31.700 -0.023 0.000 0.714 57 R N -4.017 116.469 120.500 -0.023 0.000 3.932 57 R HA -0.223 4.116 4.340 -0.001 0.000 0.318 57 R C 0.722 176.989 176.300 -0.055 0.000 1.219 57 R CA 1.632 57.703 56.100 -0.048 0.000 0.889 57 R CB -2.553 27.713 30.300 -0.057 0.000 1.309 57 R HN 0.236 nan 8.270 nan 0.000 0.537 58 L N -2.193 119.018 121.223 -0.020 0.000 2.362 58 L HA 0.581 4.920 4.340 -0.001 0.000 0.204 58 L C 1.325 178.252 176.870 0.095 0.000 1.060 58 L CA 2.093 56.940 54.840 0.011 0.000 0.827 58 L CB 0.558 42.606 42.059 -0.017 0.000 1.027 58 L HN 0.577 nan 8.230 nan 0.000 0.474 59 G N -2.896 105.954 108.800 0.084 0.000 2.512 59 G HA2 0.333 4.293 3.960 -0.001 0.000 0.186 59 G HA3 0.333 4.293 3.960 -0.001 0.000 0.186 59 G C -1.058 173.860 174.900 0.029 0.000 1.189 59 G CA 0.123 45.239 45.100 0.026 0.000 0.994 59 G HN 0.035 nan 8.290 nan 0.000 0.506 60 S N 0.487 116.198 115.700 0.018 0.000 3.391 60 S HA -0.165 4.304 4.470 -0.001 0.000 0.458 60 S C 1.432 176.039 174.600 0.013 0.000 0.812 60 S CA 0.344 58.554 58.200 0.017 0.000 1.366 60 S CB -1.198 62.019 63.200 0.028 0.000 0.943 60 S HN 0.895 nan 8.310 nan 0.000 0.680 61 I N 1.894 122.470 120.570 0.009 0.000 2.069 61 I HA -0.117 4.052 4.170 -0.001 0.000 0.237 61 I C 1.244 177.365 176.117 0.006 0.000 1.053 61 I CA 2.113 63.417 61.300 0.007 0.000 1.311 61 I CB -1.100 36.904 38.000 0.008 0.000 1.030 61 I HN 0.974 nan 8.210 nan 0.000 0.398 62 D N 0.305 120.709 120.400 0.007 0.000 2.211 62 D HA 0.148 4.787 4.640 -0.001 0.000 0.130 62 D C -0.433 175.871 176.300 0.006 0.000 1.065 62 D CA -0.478 53.526 54.000 0.006 0.000 1.156 62 D CB 0.626 41.428 40.800 0.005 0.000 2.851 62 D HN 0.193 nan 8.370 nan 0.000 0.616 63 R N 1.855 122.358 120.500 0.006 0.000 8.347 63 R HA -0.014 4.325 4.340 -0.001 0.000 0.252 63 R C -0.540 175.764 176.300 0.006 0.000 0.800 63 R CA -0.330 55.775 56.100 0.007 0.000 2.043 63 R CB -0.526 29.777 30.300 0.006 0.000 1.174 63 R HN 0.783 nan 8.270 nan 0.000 0.991 64 N N 3.925 122.628 118.700 0.006 0.000 2.374 64 N HA 0.156 4.896 4.740 -0.001 0.000 0.241 64 N C 0.143 175.657 175.510 0.006 0.000 1.262 64 N CA 0.071 53.125 53.050 0.007 0.000 0.880 64 N CB 1.017 39.508 38.487 0.007 0.000 1.105 64 N HN 0.240 nan 8.380 nan 0.000 0.438 65 L N 0.377 121.604 121.223 0.007 0.000 2.293 65 L HA 0.418 4.757 4.340 -0.001 0.000 0.264 65 L C 0.850 177.727 176.870 0.012 0.000 1.029 65 L CA -0.765 54.080 54.840 0.008 0.000 0.897 65 L CB 0.442 42.504 42.059 0.006 0.000 1.497 65 L HN 0.673 nan 8.230 nan 0.000 0.495 66 K N -1.271 119.138 120.400 0.016 0.000 3.392 66 K HA -0.155 4.165 4.320 -0.001 0.000 0.288 66 K C 0.004 176.608 176.600 0.007 0.000 1.373 66 K CA 0.383 56.679 56.287 0.014 0.000 0.873 66 K CB -1.671 30.835 32.500 0.011 0.000 1.547 66 K HN 0.739 nan 8.250 nan 0.000 0.491 67 C N -0.941 118.362 119.300 0.006 0.000 0.178 67 C HA -0.407 4.053 4.460 -0.001 0.000 0.017 67 C C 1.545 176.523 174.990 -0.020 0.000 0.173 67 C CA 1.422 60.431 59.018 -0.014 0.000 0.499 67 C CB -1.520 26.199 27.740 -0.034 0.000 3.212 67 C HN 0.845 nan 8.230 nan 0.000 1.118 68 Q N -2.149 117.634 119.800 -0.029 0.000 1.548 68 Q HA -0.345 3.995 4.340 -0.001 0.000 0.362 68 Q C 0.661 176.626 176.000 -0.057 0.000 0.909 68 Q CA 2.173 57.946 55.803 -0.051 0.000 0.779 68 Q CB -1.852 26.842 28.738 -0.074 0.000 3.939 68 Q HN 0.957 nan 8.270 nan 0.000 0.634 69 T N -0.796 113.692 114.554 -0.110 0.000 2.987 69 T HA 0.281 4.631 4.350 -0.001 0.000 0.248 69 T C 0.632 175.231 174.700 -0.168 0.000 0.997 69 T CA 0.924 62.902 62.100 -0.205 0.000 1.013 69 T CB 0.182 68.771 68.868 -0.465 0.000 1.077 69 T HN 0.683 nan 8.240 nan 0.000 0.483 70 C N -0.089 119.154 119.300 -0.096 0.000 0.168 70 C HA -0.144 4.315 4.460 -0.001 0.000 0.017 70 C C 0.490 175.479 174.990 -0.001 0.000 0.171 70 C CA 0.148 59.149 59.018 -0.028 0.000 0.499 70 C CB -0.761 26.959 27.740 -0.032 0.000 3.212 70 C HN 0.637 nan 8.230 nan 0.000 1.118 71 Q N -0.689 119.127 119.800 0.027 0.000 1.574 71 Q HA 0.136 4.476 4.340 -0.001 0.000 0.167 71 Q C 0.349 176.366 176.000 0.028 0.000 0.649 71 Q CA 0.207 56.022 55.803 0.019 0.000 0.704 71 Q CB 0.195 28.940 28.738 0.012 0.000 1.181 71 Q HN 0.814 nan 8.270 nan 0.000 0.373 72 E N -0.971 119.253 120.200 0.040 0.000 3.136 72 E HA 0.350 4.700 4.350 -0.001 0.000 0.271 72 E C 0.547 177.172 176.600 0.041 0.000 1.454 72 E CA 0.583 57.005 56.400 0.036 0.000 1.194 72 E CB 0.416 30.137 29.700 0.034 0.000 1.175 72 E HN 0.258 nan 8.360 nan 0.000 0.726 73 G N -0.614 108.207 108.800 0.035 0.000 2.861 73 G HA2 0.101 4.061 3.960 -0.001 0.000 0.160 73 G HA3 0.101 4.061 3.960 -0.001 0.000 0.160 73 G C -0.150 174.762 174.900 0.020 0.000 1.570 73 G CA -0.397 44.719 45.100 0.027 0.000 0.925 73 G HN 0.394 nan 8.290 nan 0.000 0.754 74 M N 0.642 120.252 119.600 0.017 0.000 2.162 74 M HA 0.101 4.580 4.480 -0.001 0.000 0.273 74 M C 1.201 177.507 176.300 0.011 0.000 1.189 74 M CA 1.136 56.445 55.300 0.015 0.000 1.132 74 M CB 0.148 32.754 32.600 0.010 0.000 1.358 74 M HN 0.572 nan 8.290 nan 0.000 0.430 75 N N -0.562 118.142 118.700 0.006 0.000 2.951 75 N HA -0.197 4.542 4.740 -0.001 0.000 0.213 75 N C 0.285 175.798 175.510 0.005 0.000 0.877 75 N CA 1.932 54.984 53.050 0.003 0.000 1.042 75 N CB -0.719 37.770 38.487 0.003 0.000 1.005 75 N HN 0.623 nan 8.380 nan 0.000 0.604 76 E N -0.003 120.203 120.200 0.010 0.000 2.288 76 E HA 0.242 4.592 4.350 -0.001 0.000 0.200 76 E C 0.448 177.055 176.600 0.011 0.000 0.880 76 E CA 0.149 56.556 56.400 0.010 0.000 0.971 76 E CB 0.179 29.889 29.700 0.016 0.000 0.954 76 E HN 0.379 nan 8.360 nan 0.000 0.489 77 C N 3.851 123.166 119.300 0.025 0.000 2.409 77 C HA 0.014 4.473 4.460 -0.001 0.000 0.398 77 C C -0.989 173.989 174.990 -0.019 0.000 1.507 77 C CA -1.196 57.847 59.018 0.042 0.000 1.460 77 C CB 0.106 27.892 27.740 0.077 0.000 2.472 77 C HN 0.285 nan 8.230 nan 0.000 0.614 78 P HA 0.166 nan 4.420 nan 0.000 0.215 78 P C 0.628 177.831 177.300 -0.160 0.000 1.153 78 P CA 1.987 65.001 63.100 -0.143 0.000 0.853 78 P CB -0.173 31.396 31.700 -0.218 0.000 0.788 79 G N -1.293 107.352 108.800 -0.259 0.000 2.674 79 G HA2 -0.033 3.926 3.960 -0.001 0.000 0.686 79 G HA3 -0.033 3.926 3.960 -0.001 0.000 0.686 79 G C -1.170 173.505 174.900 -0.375 0.000 1.195 79 G CA -0.882 44.118 45.100 -0.167 0.000 0.776 79 G HN 0.300 nan 8.290 nan 0.000 0.654 80 H N -0.367 118.682 119.070 -0.035 0.000 2.894 80 H HA 0.649 5.205 4.556 -0.001 0.000 0.368 80 H C -0.896 174.410 175.328 -0.037 0.000 1.181 80 H CA -0.692 55.386 56.048 0.049 0.000 1.146 80 H CB 1.883 31.678 29.762 0.055 0.000 1.839 80 H HN 0.340 nan 8.280 nan 0.000 0.557 81 F N 0.441 120.471 119.950 0.133 0.000 2.404 81 F HA 0.435 4.962 4.527 -0.001 0.000 0.339 81 F C 1.049 176.883 175.800 0.057 0.000 1.105 81 F CA -0.044 57.994 58.000 0.064 0.000 1.087 81 F CB 1.617 40.628 39.000 0.018 0.000 1.143 81 F HN 0.568 nan 8.300 nan 0.000 0.491 82 G N 1.096 109.981 108.800 0.143 0.000 2.601 82 G HA2 0.545 4.505 3.960 -0.001 0.000 0.317 82 G HA3 0.545 4.505 3.960 -0.001 0.000 0.317 82 G C -1.494 173.509 174.900 0.172 0.000 1.246 82 G CA -0.477 44.691 45.100 0.114 0.000 1.012 82 G HN 0.760 nan 8.290 nan 0.000 0.494 83 H N -1.713 117.342 119.070 -0.024 0.000 2.851 83 H HA 0.568 5.123 4.556 -0.001 0.000 0.372 83 H C -1.589 173.694 175.328 -0.075 0.000 1.158 83 H CA -1.008 55.012 56.048 -0.048 0.000 1.159 83 H CB 1.500 31.221 29.762 -0.069 0.000 1.757 83 H HN 0.341 nan 8.280 nan 0.000 0.546 84 I N 2.004 122.513 120.570 -0.102 0.000 2.412 84 I HA 0.130 4.299 4.170 -0.001 0.000 0.296 84 I C -0.308 175.790 176.117 -0.033 0.000 0.987 84 I CA -0.688 60.520 61.300 -0.153 0.000 1.180 84 I CB 1.564 39.487 38.000 -0.128 0.000 1.340 84 I HN 0.428 nan 8.210 nan 0.000 0.455 85 D N 7.107 127.482 120.400 -0.042 0.000 2.316 85 D HA 0.310 4.950 4.640 -0.001 0.000 0.245 85 D C -0.234 176.059 176.300 -0.011 0.000 1.171 85 D CA -0.121 53.891 54.000 0.019 0.000 0.856 85 D CB 1.465 42.281 40.800 0.027 0.000 1.090 85 D HN 0.279 nan 8.370 nan 0.000 0.476 86 L N 2.327 123.549 121.223 -0.001 0.000 2.313 86 L HA 0.181 4.521 4.340 -0.001 0.000 0.282 86 L C 1.713 178.581 176.870 -0.004 0.000 1.092 86 L CA -0.530 54.305 54.840 -0.009 0.000 0.831 86 L CB 1.285 43.341 42.059 -0.004 0.000 1.159 86 L HN 0.423 nan 8.230 nan 0.000 0.442 87 A N 4.462 127.279 122.820 -0.005 0.000 1.948 87 A HA -0.094 4.225 4.320 -0.001 0.000 0.220 87 A C 1.044 178.625 177.584 -0.005 0.000 1.177 87 A CA 1.459 53.496 52.037 0.000 0.000 0.636 87 A CB -0.046 18.958 19.000 0.006 0.000 0.815 87 A HN 0.638 nan 8.150 nan 0.000 0.449 88 K N -1.240 119.153 120.400 -0.011 0.000 2.400 88 K HA 0.478 4.797 4.320 -0.001 0.000 0.246 88 K C -3.101 173.483 176.600 -0.026 0.000 0.995 88 K CA -2.335 53.939 56.287 -0.022 0.000 0.840 88 K CB 1.531 34.011 32.500 -0.033 0.000 1.293 88 K HN -0.002 nan 8.250 nan 0.000 0.445 89 P HA 0.288 nan 4.420 nan 0.000 0.276 89 P C -0.649 176.604 177.300 -0.079 0.000 1.244 89 P CA -0.453 62.625 63.100 -0.037 0.000 0.801 89 P CB 0.973 32.651 31.700 -0.037 0.000 1.006 90 V N 2.153 122.040 119.914 -0.045 0.000 3.007 90 V HA 0.331 4.450 4.120 -0.001 0.000 0.311 90 V C -0.362 175.763 176.094 0.051 0.000 1.120 90 V CA -0.710 61.549 62.300 -0.067 0.000 0.980 90 V CB 1.854 33.676 31.823 -0.001 0.000 1.033 90 V HN 0.301 nan 8.190 nan 0.000 0.429 91 F N 2.377 122.369 119.950 0.071 0.000 2.518 91 F HA 0.227 4.754 4.527 -0.001 0.000 0.359 91 F C 0.703 176.606 175.800 0.172 0.000 1.118 91 F CA -0.076 57.991 58.000 0.111 0.000 1.287 91 F CB -0.121 38.937 39.000 0.096 0.000 1.132 91 F HN 0.541 nan 8.300 nan 0.000 0.587 92 H N 2.737 122.008 119.070 0.335 0.000 2.742 92 H HA 0.270 4.825 4.556 -0.001 0.000 0.302 92 H C 0.945 176.333 175.328 0.100 0.000 1.069 92 H CA -0.620 55.566 56.048 0.231 0.000 1.446 92 H CB 0.917 30.884 29.762 0.342 0.000 1.462 92 H HN 0.498 nan 8.280 nan 0.000 0.499 93 V N 4.063 124.184 119.914 0.345 0.000 2.242 93 V HA -0.395 3.725 4.120 -0.001 0.000 0.257 93 V C 2.571 178.667 176.094 0.003 0.000 1.073 93 V CA 2.241 64.640 62.300 0.165 0.000 1.058 93 V CB -1.438 30.446 31.823 0.102 0.000 0.664 93 V HN 1.002 nan 8.190 nan 0.000 0.451 94 G N -0.870 107.801 108.800 -0.215 0.000 2.475 94 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.220 94 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.220 94 G C 1.241 175.608 174.900 -0.889 0.000 1.125 94 G CA 1.100 45.663 45.100 -0.894 0.000 0.755 94 G HN 0.598 nan 8.290 nan 0.000 0.565 95 F N -0.176 119.527 119.950 -0.413 0.000 2.695 95 F HA 0.388 4.914 4.527 -0.001 0.000 0.303 95 F C 2.106 177.781 175.800 -0.209 0.000 1.091 95 F CA -0.642 57.184 58.000 -0.290 0.000 1.300 95 F CB 0.179 39.015 39.000 -0.273 0.000 1.071 95 F HN 0.019 nan 8.300 nan 0.000 0.578 96 I N 0.609 121.120 120.570 -0.099 0.000 2.151 96 I HA -0.370 3.799 4.170 -0.001 0.000 0.243 96 I C 2.740 178.765 176.117 -0.153 0.000 1.080 96 I CA 1.524 62.680 61.300 -0.240 0.000 1.339 96 I CB -0.628 37.255 38.000 -0.195 0.000 1.039 96 I HN 0.191 nan 8.210 nan 0.000 0.409 97 A N 0.374 123.139 122.820 -0.091 0.000 1.908 97 A HA -0.228 4.092 4.320 -0.001 0.000 0.218 97 A C 2.381 179.931 177.584 -0.057 0.000 1.181 97 A CA 1.623 53.615 52.037 -0.074 0.000 0.627 97 A CB -0.419 18.535 19.000 -0.077 0.000 0.818 97 A HN 0.227 nan 8.150 nan 0.000 0.445 98 K N -0.365 120.027 120.400 -0.014 0.000 2.002 98 K HA -0.062 4.257 4.320 -0.001 0.000 0.209 98 K C 1.898 178.568 176.600 0.117 0.000 1.048 98 K CA 1.499 57.811 56.287 0.041 0.000 0.930 98 K CB -0.616 31.938 32.500 0.091 0.000 0.714 98 K HN 0.573 nan 8.250 nan 0.000 0.438 99 I N 1.384 122.019 120.570 0.109 0.000 2.185 99 I HA -0.355 3.814 4.170 -0.001 0.000 0.246 99 I C 2.638 178.870 176.117 0.193 0.000 1.088 99 I CA 1.496 62.915 61.300 0.198 0.000 1.347 99 I CB -0.222 37.729 38.000 -0.081 0.000 1.041 99 I HN 0.223 nan 8.210 nan 0.000 0.415 100 K N 1.212 121.641 120.400 0.047 0.000 2.025 100 K HA -0.214 4.105 4.320 -0.001 0.000 0.207 100 K C 2.193 178.877 176.600 0.140 0.000 1.049 100 K CA 1.520 57.850 56.287 0.072 0.000 0.933 100 K CB -0.010 32.501 32.500 0.018 0.000 0.714 100 K HN 0.135 nan 8.250 nan 0.000 0.438 101 K N 0.220 120.665 120.400 0.075 0.000 2.063 101 K HA -0.116 4.203 4.320 -0.001 0.000 0.208 101 K C 1.993 178.721 176.600 0.213 0.000 1.048 101 K CA 1.430 57.718 56.287 0.001 0.000 0.928 101 K CB -0.043 32.283 32.500 -0.289 0.000 0.713 101 K HN -0.010 nan 8.250 nan 0.000 0.442 102 V N 0.738 120.818 119.914 0.276 0.000 2.295 102 V HA -0.345 3.775 4.120 -0.001 0.000 0.246 102 V C 2.324 178.535 176.094 0.196 0.000 1.049 102 V CA 1.665 64.095 62.300 0.217 0.000 1.024 102 V CB -0.443 31.347 31.823 -0.055 0.000 0.648 102 V HN 0.477 nan 8.190 nan 0.000 0.447 103 C N -0.180 119.292 119.300 0.286 0.000 2.411 103 C HA -0.174 4.286 4.460 -0.001 0.000 0.279 103 C C 2.486 177.591 174.990 0.192 0.000 1.288 103 C CA 0.984 60.169 59.018 0.279 0.000 1.764 103 C CB -1.172 26.724 27.740 0.259 0.000 1.974 103 C HN 0.607 nan 8.230 nan 0.000 0.498 104 E N -1.095 119.236 120.200 0.218 0.000 2.516 104 E HA -0.111 4.238 4.350 -0.001 0.000 0.199 104 E C 1.639 178.330 176.600 0.152 0.000 1.069 104 E CA 0.657 57.179 56.400 0.204 0.000 0.876 104 E CB 0.014 29.943 29.700 0.383 0.000 0.843 104 E HN 0.738 nan 8.360 nan 0.000 0.530 105 C N -1.069 118.324 119.300 0.155 0.000 2.553 105 C HA 0.220 4.679 4.460 -0.001 0.000 0.447 105 C C 1.025 176.066 174.990 0.085 0.000 1.351 105 C CA -0.630 58.448 59.018 0.099 0.000 2.354 105 C CB 0.337 28.137 27.740 0.101 0.000 2.905 105 C HN 0.152 nan 8.230 nan 0.000 0.554 106 V N 1.829 121.807 119.914 0.106 0.000 2.732 106 V HA 0.321 4.440 4.120 -0.001 0.000 0.297 106 V C 0.192 176.356 176.094 0.117 0.000 1.060 106 V CA -0.404 61.960 62.300 0.107 0.000 1.038 106 V CB 0.970 32.862 31.823 0.115 0.000 1.003 106 V HN 0.646 nan 8.190 nan 0.000 0.481 107 C N 8.200 127.567 119.300 0.112 0.000 2.648 107 C HA 0.186 4.646 4.460 -0.001 0.000 0.419 107 C C 1.592 176.677 174.990 0.159 0.000 1.352 107 C CA -0.602 58.491 59.018 0.125 0.000 1.816 107 C CB -0.123 27.690 27.740 0.122 0.000 2.598 107 C HN 0.962 nan 8.230 nan 0.000 0.598 108 M N 4.024 123.733 119.600 0.183 0.000 2.619 108 M HA -0.006 4.473 4.480 -0.001 0.000 0.251 108 M C 1.769 178.206 176.300 0.230 0.000 1.106 108 M CA 1.158 56.586 55.300 0.214 0.000 1.086 108 M CB -1.353 31.383 32.600 0.227 0.000 1.465 108 M HN 0.917 nan 8.290 nan 0.000 0.506 109 H N -0.892 118.253 119.070 0.125 0.000 2.393 109 H HA 0.015 4.571 4.556 -0.001 0.000 0.307 109 H C 1.835 177.166 175.328 0.004 0.000 1.038 109 H CA 1.788 57.879 56.048 0.071 0.000 1.351 109 H CB 0.285 30.088 29.762 0.068 0.000 1.464 109 H HN 0.460 nan 8.280 nan 0.000 0.575 110 C N -0.486 118.906 119.300 0.153 0.000 3.065 110 C HA 0.575 5.035 4.460 -0.001 0.000 0.285 110 C C 1.763 176.769 174.990 0.026 0.000 1.257 110 C CA 0.658 59.709 59.018 0.055 0.000 1.691 110 C CB 0.217 28.079 27.740 0.204 0.000 2.089 110 C HN 0.785 nan 8.230 nan 0.000 0.630 111 G N 1.121 109.969 108.800 0.081 0.000 2.195 111 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.246 111 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.246 111 G C 0.093 175.063 174.900 0.116 0.000 0.984 111 G CA 0.380 45.553 45.100 0.121 0.000 0.633 111 G HN 0.825 nan 8.290 nan 0.000 0.525 112 K N 1.000 121.462 120.400 0.103 0.000 2.350 112 K HA 0.493 4.813 4.320 -0.001 0.000 0.279 112 K C 0.995 177.643 176.600 0.080 0.000 1.027 112 K CA -0.706 55.633 56.287 0.087 0.000 0.969 112 K CB 0.173 32.722 32.500 0.081 0.000 0.954 112 K HN 0.200 nan 8.250 nan 0.000 0.474 113 L N 5.707 126.971 121.223 0.068 0.000 2.525 113 L HA -0.113 4.226 4.340 -0.001 0.000 0.278 113 L C 1.390 178.293 176.870 0.054 0.000 1.218 113 L CA 0.225 55.101 54.840 0.060 0.000 0.878 113 L CB 0.375 42.464 42.059 0.050 0.000 1.127 113 L HN 0.835 nan 8.230 nan 0.000 0.492 114 L N 4.643 125.895 121.223 0.047 0.000 2.291 114 L HA -0.004 4.336 4.340 -0.001 0.000 0.214 114 L C 0.430 177.315 176.870 0.026 0.000 1.120 114 L CA 0.849 55.710 54.840 0.036 0.000 0.799 114 L CB -0.057 42.017 42.059 0.025 0.000 0.925 114 L HN 0.489 nan 8.230 nan 0.000 0.446 115 L N -1.119 120.119 121.223 0.025 0.000 2.376 115 L HA 0.391 4.731 4.340 -0.001 0.000 0.258 115 L C -1.334 175.557 176.870 0.035 0.000 1.013 115 L CA -0.821 54.035 54.840 0.026 0.000 0.822 115 L CB 2.227 44.289 42.059 0.006 0.000 1.388 115 L HN -0.020 nan 8.230 nan 0.000 0.413 116 D N -0.994 119.434 120.400 0.047 0.000 2.895 116 D HA 0.178 4.817 4.640 -0.001 0.000 0.320 116 D C 0.187 176.484 176.300 -0.005 0.000 1.249 116 D CA -0.570 53.447 54.000 0.029 0.000 0.997 116 D CB 0.453 41.287 40.800 0.056 0.000 1.430 116 D HN 0.320 nan 8.370 nan 0.000 0.558 117 E N -1.028 119.120 120.200 -0.087 0.000 2.333 117 E HA -0.159 4.191 4.350 -0.001 0.000 0.200 117 E C 1.380 177.861 176.600 -0.198 0.000 1.010 117 E CA 1.201 57.504 56.400 -0.162 0.000 0.841 117 E CB -0.358 29.205 29.700 -0.229 0.000 0.757 117 E HN 0.380 nan 8.360 nan 0.000 0.508 118 H N -0.550 118.518 119.070 -0.003 0.000 2.502 118 H HA 0.068 4.624 4.556 -0.001 0.000 0.283 118 H C 0.533 175.858 175.328 -0.005 0.000 1.015 118 H CA 0.544 56.590 56.048 -0.003 0.000 1.298 118 H CB -0.107 29.654 29.762 -0.002 0.000 1.411 118 H HN 0.093 nan 8.280 nan 0.000 0.556 119 N N 2.062 120.815 118.700 0.088 0.000 2.422 119 N HA -0.046 4.693 4.740 -0.001 0.000 0.264 119 N C 1.111 176.632 175.510 0.018 0.000 1.063 119 N CA -0.193 52.885 53.050 0.046 0.000 0.959 119 N CB 0.934 39.439 38.487 0.029 0.000 1.087 119 N HN 0.063 nan 8.380 nan 0.000 0.483 120 E N 3.372 123.582 120.200 0.016 0.000 2.351 120 E HA -0.326 4.023 4.350 -0.001 0.000 0.249 120 E C 1.107 177.705 176.600 -0.002 0.000 1.062 120 E CA 1.969 58.371 56.400 0.005 0.000 1.066 120 E CB -0.689 29.012 29.700 0.002 0.000 0.955 120 E HN 0.665 nan 8.360 nan 0.000 0.504 121 L N -0.513 120.706 121.223 -0.006 0.000 2.509 121 L HA 0.119 4.458 4.340 -0.001 0.000 0.222 121 L C 2.536 179.399 176.870 -0.011 0.000 1.123 121 L CA 0.247 55.081 54.840 -0.010 0.000 0.856 121 L CB -0.221 41.829 42.059 -0.016 0.000 0.985 121 L HN 0.066 nan 8.230 nan 0.000 0.456 122 M N 0.006 119.600 119.600 -0.009 0.000 2.254 122 M HA -0.057 4.422 4.480 -0.001 0.000 0.265 122 M C 2.307 178.600 176.300 -0.010 0.000 1.066 122 M CA 1.622 56.916 55.300 -0.009 0.000 1.123 122 M CB -0.229 32.368 32.600 -0.005 0.000 1.388 122 M HN 0.009 nan 8.290 nan 0.000 0.425 123 R N -0.668 119.823 120.500 -0.014 0.000 2.096 123 R HA -0.148 4.192 4.340 -0.001 0.000 0.235 123 R C 2.243 178.537 176.300 -0.010 0.000 1.127 123 R CA 1.875 57.964 56.100 -0.018 0.000 0.968 123 R CB -0.275 30.012 30.300 -0.022 0.000 0.861 123 R HN 0.556 nan 8.270 nan 0.000 0.440 124 Q N -0.535 119.261 119.800 -0.007 0.000 2.079 124 Q HA -0.102 4.238 4.340 -0.001 0.000 0.200 124 Q C 2.107 178.108 176.000 0.002 0.000 0.974 124 Q CA 1.555 57.357 55.803 -0.003 0.000 0.840 124 Q CB -0.037 28.700 28.738 -0.003 0.000 0.898 124 Q HN 0.353 nan 8.270 nan 0.000 0.430 125 A N 0.633 123.453 122.820 0.001 0.000 1.898 125 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 125 A C 2.011 179.603 177.584 0.012 0.000 1.181 125 A CA 0.996 53.037 52.037 0.007 0.000 0.620 125 A CB -0.629 18.372 19.000 0.001 0.000 0.819 125 A HN 0.301 nan 8.150 nan 0.000 0.442 126 L N -0.743 120.483 121.223 0.006 0.000 2.131 126 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 126 L C 2.986 179.861 176.870 0.008 0.000 1.092 126 L CA 0.886 55.730 54.840 0.007 0.000 0.759 126 L CB -0.443 41.614 42.059 -0.004 0.000 0.903 126 L HN 0.448 nan 8.230 nan 0.000 0.435 127 A N 0.069 122.892 122.820 0.005 0.000 2.015 127 A HA -0.034 4.285 4.320 -0.001 0.000 0.219 127 A C 1.263 178.854 177.584 0.012 0.000 1.163 127 A CA 0.275 52.316 52.037 0.006 0.000 0.646 127 A CB -0.600 18.402 19.000 0.003 0.000 0.806 127 A HN 0.276 nan 8.150 nan 0.000 0.448 128 I N 0.378 120.958 120.570 0.017 0.000 2.906 128 I HA -0.158 4.011 4.170 -0.001 0.000 0.302 128 I C 1.149 177.280 176.117 0.023 0.000 1.220 128 I CA 0.242 61.555 61.300 0.023 0.000 1.441 128 I CB 0.636 38.654 38.000 0.031 0.000 1.336 128 I HN 0.339 nan 8.210 nan 0.000 0.565 129 K N 3.590 124.002 120.400 0.021 0.000 2.099 129 K HA -0.031 4.288 4.320 -0.001 0.000 0.203 129 K C 0.306 176.917 176.600 0.019 0.000 1.047 129 K CA 0.472 56.770 56.287 0.018 0.000 0.963 129 K CB -0.113 32.396 32.500 0.016 0.000 0.759 129 K HN 0.597 nan 8.250 nan 0.000 0.451 130 D N 0.600 121.012 120.400 0.020 0.000 2.343 130 D HA -0.002 4.637 4.640 -0.001 0.000 0.255 130 D C 0.827 177.141 176.300 0.022 0.000 1.187 130 D CA -0.202 53.808 54.000 0.016 0.000 0.875 130 D CB 1.166 41.975 40.800 0.016 0.000 1.136 130 D HN 0.144 nan 8.370 nan 0.000 0.469 131 S N 3.782 119.488 115.700 0.009 0.000 2.515 131 S HA -0.120 4.349 4.470 -0.001 0.000 0.231 131 S C 1.323 175.933 174.600 0.018 0.000 0.987 131 S CA 0.405 58.611 58.200 0.010 0.000 0.936 131 S CB -0.126 63.063 63.200 -0.018 0.000 0.766 131 S HN 0.493 nan 8.310 nan 0.000 0.528 132 K N 1.310 121.713 120.400 0.006 0.000 2.137 132 K HA 0.149 4.468 4.320 -0.001 0.000 0.202 132 K C 1.929 178.588 176.600 0.098 0.000 1.052 132 K CA 0.439 56.743 56.287 0.029 0.000 0.961 132 K CB -0.210 32.282 32.500 -0.013 0.000 0.741 132 K HN 0.273 nan 8.250 nan 0.000 0.452 133 K N 1.314 121.755 120.400 0.069 0.000 2.097 133 K HA -0.116 4.204 4.320 -0.001 0.000 0.206 133 K C 2.196 178.849 176.600 0.089 0.000 1.049 133 K CA 0.943 57.274 56.287 0.073 0.000 0.933 133 K CB -0.110 32.419 32.500 0.049 0.000 0.717 133 K HN 0.137 nan 8.250 nan 0.000 0.442 134 R N -0.214 120.342 120.500 0.094 0.000 2.073 134 R HA -0.085 4.254 4.340 -0.001 0.000 0.229 134 R C 2.284 178.664 176.300 0.134 0.000 1.120 134 R CA 0.911 57.067 56.100 0.094 0.000 0.967 134 R CB -0.250 30.099 30.300 0.081 0.000 0.862 134 R HN 0.088 nan 8.270 nan 0.000 0.436 135 F N 1.282 121.244 119.950 0.020 0.000 2.102 135 F HA -0.125 4.401 4.527 -0.001 0.000 0.298 135 F C 2.107 177.969 175.800 0.103 0.000 1.105 135 F CA 1.386 59.408 58.000 0.036 0.000 1.239 135 F CB -0.531 38.447 39.000 -0.037 0.000 0.991 135 F HN 0.093 nan 8.300 nan 0.000 0.474 136 A N 0.900 123.832 122.820 0.187 0.000 1.859 136 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 136 A C 2.467 180.120 177.584 0.115 0.000 1.209 136 A CA 2.785 54.917 52.037 0.159 0.000 0.639 136 A CB -1.790 17.303 19.000 0.156 0.000 0.835 136 A HN 0.578 nan 8.150 nan 0.000 0.450 137 A N -0.605 122.257 122.820 0.071 0.000 1.908 137 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 137 A C 2.163 179.743 177.584 -0.006 0.000 1.181 137 A CA 1.739 53.795 52.037 0.032 0.000 0.627 137 A CB -0.677 18.339 19.000 0.028 0.000 0.818 137 A HN 0.555 nan 8.150 nan 0.000 0.445 138 I N -2.752 117.805 120.570 -0.022 0.000 2.252 138 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 138 I C 2.376 178.453 176.117 -0.067 0.000 1.102 138 I CA 1.404 62.677 61.300 -0.046 0.000 1.385 138 I CB -0.302 37.677 38.000 -0.036 0.000 1.064 138 I HN 0.704 nan 8.210 nan 0.000 0.414 139 W N 1.773 122.870 121.300 -0.338 0.000 2.381 139 W HA -0.193 4.466 4.660 -0.001 0.000 0.301 139 W C 2.533 178.949 176.519 -0.171 0.000 1.205 139 W CA 1.840 58.992 57.345 -0.323 0.000 1.285 139 W CB -0.605 28.554 29.460 -0.501 0.000 1.133 139 W HN -0.061 nan 8.180 nan 0.000 0.521 140 T N 1.406 115.823 114.554 -0.229 0.000 2.737 140 T HA -0.241 4.108 4.350 -0.001 0.000 0.269 140 T C 1.845 176.363 174.700 -0.303 0.000 1.040 140 T CA 2.028 63.924 62.100 -0.339 0.000 1.142 140 T CB -0.462 68.334 68.868 -0.119 0.000 0.861 140 T HN 0.129 nan 8.240 nan 0.000 0.456 141 L N -0.375 120.730 121.223 -0.197 0.000 2.209 141 L HA 0.033 4.372 4.340 -0.001 0.000 0.207 141 L C 2.522 179.297 176.870 -0.159 0.000 1.094 141 L CA 0.696 55.449 54.840 -0.145 0.000 0.790 141 L CB -0.165 41.843 42.059 -0.084 0.000 0.932 141 L HN 0.347 nan 8.230 nan 0.000 0.447 142 C N -0.275 118.914 119.300 -0.185 0.000 2.527 142 C HA -0.030 4.430 4.460 -0.001 0.000 0.280 142 C C 2.617 177.498 174.990 -0.181 0.000 1.353 142 C CA -0.001 58.934 59.018 -0.138 0.000 1.749 142 C CB -0.451 27.246 27.740 -0.072 0.000 2.088 142 C HN 0.520 nan 8.230 nan 0.000 0.508 143 K N 1.083 121.275 120.400 -0.347 0.000 2.286 143 K HA -0.168 4.151 4.320 -0.001 0.000 0.203 143 K C 1.424 177.886 176.600 -0.230 0.000 1.045 143 K CA 1.956 58.034 56.287 -0.348 0.000 0.935 143 K CB -0.726 31.361 32.500 -0.689 0.000 0.737 143 K HN 0.375 nan 8.250 nan 0.000 0.460 144 T N 0.979 115.405 114.554 -0.213 0.000 2.812 144 T HA -0.031 4.318 4.350 -0.001 0.000 0.264 144 T C 0.584 175.226 174.700 -0.095 0.000 1.042 144 T CA 0.667 62.682 62.100 -0.140 0.000 1.140 144 T CB -0.003 68.788 68.868 -0.128 0.000 0.870 144 T HN 0.103 nan 8.240 nan 0.000 0.445 145 K N 2.259 122.609 120.400 -0.084 0.000 2.437 145 K HA 0.050 4.369 4.320 -0.001 0.000 0.277 145 K C 0.358 176.933 176.600 -0.042 0.000 1.073 145 K CA 0.264 56.521 56.287 -0.049 0.000 1.105 145 K CB 0.481 32.962 32.500 -0.032 0.000 0.881 145 K HN 0.176 nan 8.250 nan 0.000 0.475 146 M N 2.524 122.106 119.600 -0.030 0.000 2.346 146 M HA 0.137 4.616 4.480 -0.001 0.000 0.280 146 M C -0.377 175.925 176.300 0.004 0.000 1.075 146 M CA -0.219 55.067 55.300 -0.024 0.000 0.989 146 M CB 0.186 32.770 32.600 -0.027 0.000 1.447 146 M HN 0.041 nan 8.290 nan 0.000 0.511 147 V N -0.469 119.452 119.914 0.011 0.000 2.932 147 V HA 0.233 4.352 4.120 -0.001 0.000 0.307 147 V C -0.709 175.402 176.094 0.029 0.000 1.147 147 V CA -1.502 60.814 62.300 0.027 0.000 0.951 147 V CB 2.663 34.497 31.823 0.019 0.000 1.031 147 V HN 0.294 nan 8.190 nan 0.000 0.426 148 C N 4.125 123.451 119.300 0.042 0.000 2.305 148 C HA 0.371 4.830 4.460 -0.001 0.000 0.378 148 C C 0.670 175.676 174.990 0.026 0.000 1.047 148 C CA -0.311 58.733 59.018 0.043 0.000 1.385 148 C CB -1.754 26.025 27.740 0.064 0.000 1.825 148 C HN 0.937 nan 8.230 nan 0.000 0.508 149 E N 2.841 123.052 120.200 0.018 0.000 2.376 149 E HA 0.080 4.429 4.350 -0.001 0.000 0.266 149 E C 1.181 177.781 176.600 -0.000 0.000 1.009 149 E CA 0.141 56.544 56.400 0.005 0.000 0.902 149 E CB 1.052 30.750 29.700 -0.002 0.000 0.972 149 E HN 0.739 nan 8.360 nan 0.000 0.439 150 T N 2.230 116.779 114.554 -0.008 0.000 2.942 150 T HA -0.017 4.332 4.350 -0.001 0.000 0.265 150 T C -0.003 174.679 174.700 -0.030 0.000 1.062 150 T CA 0.616 62.709 62.100 -0.012 0.000 1.139 150 T CB 0.147 69.007 68.868 -0.013 0.000 0.883 150 T HN 0.436 nan 8.240 nan 0.000 0.468 151 D N -0.134 120.243 120.400 -0.038 0.000 2.602 151 D HA 0.611 5.250 4.640 -0.001 0.000 0.236 151 D C -1.336 174.924 176.300 -0.066 0.000 1.209 151 D CA -0.395 53.568 54.000 -0.062 0.000 0.831 151 D CB 3.136 43.907 40.800 -0.048 0.000 1.478 151 D HN -0.083 nan 8.370 nan 0.000 0.438 152 V N 1.206 121.063 119.914 -0.096 0.000 3.147 152 V HA 0.207 4.327 4.120 -0.001 0.000 0.306 152 V C -1.874 174.176 176.094 -0.073 0.000 1.209 152 V CA -1.526 60.723 62.300 -0.085 0.000 1.023 152 V CB 2.725 34.483 31.823 -0.110 0.000 1.059 152 V HN 0.332 nan 8.190 nan 0.000 0.435 153 P HA -0.125 nan 4.420 nan 0.000 0.216 153 P C 1.174 178.467 177.300 -0.012 0.000 1.153 153 P CA 2.162 65.250 63.100 -0.021 0.000 0.848 153 P CB 0.155 31.851 31.700 -0.007 0.000 0.787 154 S N -2.092 113.612 115.700 0.007 0.000 4.159 154 S HA -0.373 4.096 4.470 -0.001 0.000 0.545 154 S C 1.355 175.984 174.600 0.049 0.000 1.865 154 S CA 1.777 60.010 58.200 0.054 0.000 4.250 154 S CB -2.030 61.192 63.200 0.037 0.000 0.206 154 S HN 0.252 nan 8.310 nan 0.000 0.454 155 E N 0.346 120.564 120.200 0.030 0.000 2.406 155 E HA 0.453 4.802 4.350 -0.001 0.000 0.200 155 E C 1.446 178.053 176.600 0.012 0.000 1.034 155 E CA 0.253 56.666 56.400 0.022 0.000 1.057 155 E CB 0.132 29.845 29.700 0.021 0.000 1.751 155 E HN 0.523 nan 8.360 nan 0.000 0.525 156 D N -1.098 119.306 120.400 0.007 0.000 2.061 156 D HA -0.008 4.631 4.640 -0.001 0.000 0.314 156 D C -1.037 175.266 176.300 0.004 0.000 1.237 156 D CA 0.137 54.141 54.000 0.008 0.000 1.206 156 D CB 0.073 40.879 40.800 0.010 0.000 1.911 156 D HN -0.044 nan 8.370 nan 0.000 0.481 157 D N 3.031 123.432 120.400 0.002 0.000 3.595 157 D HA -0.149 4.490 4.640 -0.001 0.000 0.056 157 D C -2.171 174.128 176.300 -0.001 0.000 0.866 157 D CA 0.502 54.501 54.000 -0.000 0.000 0.368 157 D CB 0.025 40.824 40.800 -0.002 0.000 0.907 157 D HN 0.223 nan 8.370 nan 0.000 0.408 158 P HA -0.130 nan 4.420 nan 0.000 0.235 158 P C 1.075 178.372 177.300 -0.005 0.000 1.080 158 P CA 0.398 63.494 63.100 -0.006 0.000 1.096 158 P CB -0.358 31.338 31.700 -0.006 0.000 1.085 159 T N 0.380 114.932 114.554 -0.005 0.000 2.746 159 T HA -0.165 4.185 4.350 -0.001 0.000 0.267 159 T C 0.967 175.662 174.700 -0.009 0.000 1.039 159 T CA 0.789 62.885 62.100 -0.006 0.000 1.142 159 T CB -0.538 68.327 68.868 -0.005 0.000 0.866 159 T HN 0.362 nan 8.240 nan 0.000 0.444 160 Q N 1.518 121.314 119.800 -0.008 0.000 2.286 160 Q HA 0.406 4.745 4.340 -0.001 0.000 0.267 160 Q C -0.484 175.505 176.000 -0.018 0.000 1.028 160 Q CA -0.089 55.707 55.803 -0.011 0.000 0.901 160 Q CB 0.746 29.480 28.738 -0.007 0.000 1.183 160 Q HN 0.482 nan 8.270 nan 0.000 0.392 161 L N 1.969 123.178 121.223 -0.025 0.000 2.416 161 L HA 0.557 4.896 4.340 -0.001 0.000 0.262 161 L C -0.138 176.699 176.870 -0.055 0.000 1.093 161 L CA -0.778 54.038 54.840 -0.040 0.000 0.801 161 L CB 1.268 43.305 42.059 -0.038 0.000 1.191 161 L HN 0.304 nan 8.230 nan 0.000 0.459 162 V N 0.240 120.097 119.914 -0.096 0.000 2.760 162 V HA 0.366 4.485 4.120 -0.001 0.000 0.309 162 V C -0.375 175.611 176.094 -0.179 0.000 1.077 162 V CA -0.511 61.708 62.300 -0.135 0.000 0.910 162 V CB 2.467 34.187 31.823 -0.171 0.000 1.008 162 V HN 0.877 nan 8.190 nan 0.000 0.424 163 S N 6.146 121.769 115.700 -0.128 0.000 2.578 163 S HA 0.777 5.246 4.470 -0.001 0.000 0.283 163 S C -0.269 174.272 174.600 -0.098 0.000 1.195 163 S CA -0.750 57.392 58.200 -0.097 0.000 1.050 163 S CB 1.654 64.827 63.200 -0.045 0.000 1.012 163 S HN 0.718 nan 8.310 nan 0.000 0.511 164 R N 1.018 121.480 120.500 -0.062 0.000 3.024 164 R HA 0.697 5.036 4.340 -0.001 0.000 0.224 164 R C 1.531 177.840 176.300 0.016 0.000 1.490 164 R CA -0.667 55.431 56.100 -0.002 0.000 1.057 164 R CB -0.113 30.195 30.300 0.014 0.000 1.723 164 R HN 0.671 nan 8.270 nan 0.000 0.520 165 G N -0.164 108.657 108.800 0.035 0.000 2.615 165 G HA2 0.079 4.039 3.960 -0.001 0.000 0.213 165 G HA3 0.079 4.039 3.960 -0.001 0.000 0.213 165 G C 0.482 175.404 174.900 0.037 0.000 1.215 165 G CA 0.202 45.324 45.100 0.037 0.000 0.843 165 G HN 0.557 nan 8.290 nan 0.000 0.571 166 G N -1.599 107.229 108.800 0.047 0.000 2.491 166 G HA2 0.336 4.295 3.960 -0.001 0.000 0.238 166 G HA3 0.336 4.295 3.960 -0.001 0.000 0.238 166 G C 0.654 175.570 174.900 0.028 0.000 1.277 166 G CA 0.878 46.008 45.100 0.049 0.000 0.851 166 G HN 1.498 nan 8.290 nan 0.000 0.573 167 C N -0.985 118.323 119.300 0.014 0.000 6.170 167 C HA 0.276 4.735 4.460 -0.001 0.000 0.216 167 C C 1.824 176.793 174.990 -0.036 0.000 0.605 167 C CA 1.255 60.274 59.018 0.002 0.000 2.348 167 C CB -0.808 26.955 27.740 0.038 0.000 1.326 167 C HN 2.581 nan 8.230 nan 0.000 0.329 168 G N 2.058 110.847 108.800 -0.019 0.000 2.397 168 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.211 168 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.211 168 G C -0.261 174.628 174.900 -0.017 0.000 1.077 168 G CA 0.441 45.526 45.100 -0.024 0.000 0.649 168 G HN 1.032 nan 8.290 nan 0.000 0.511 169 N N 2.056 120.730 118.700 -0.044 0.000 2.345 169 N HA 0.414 5.153 4.740 -0.001 0.000 0.243 169 N C 0.474 176.033 175.510 0.081 0.000 1.246 169 N CA 1.160 54.205 53.050 -0.009 0.000 0.863 169 N CB 0.498 38.939 38.487 -0.076 0.000 1.096 169 N HN 0.426 nan 8.380 nan 0.000 0.446 170 T N 1.029 115.667 114.554 0.141 0.000 2.899 170 T HA 0.095 4.445 4.350 -0.001 0.000 0.295 170 T C 0.259 175.115 174.700 0.260 0.000 1.033 170 T CA -0.295 61.920 62.100 0.191 0.000 1.084 170 T CB 0.952 69.959 68.868 0.231 0.000 0.979 170 T HN 0.335 nan 8.240 nan 0.000 0.532 171 Q N 2.178 122.034 119.800 0.094 0.000 2.235 171 Q HA 0.461 4.800 4.340 -0.001 0.000 0.256 171 Q C -2.530 173.248 176.000 -0.369 0.000 0.951 171 Q CA -2.240 53.538 55.803 -0.041 0.000 0.890 171 Q CB 1.155 29.875 28.738 -0.029 0.000 1.279 171 Q HN 0.294 nan 8.270 nan 0.000 0.444 172 P HA 0.255 nan 4.420 nan 0.000 0.282 172 P C -0.905 176.134 177.300 -0.435 0.000 1.259 172 P CA -0.486 62.033 63.100 -0.968 0.000 0.826 172 P CB 1.081 31.799 31.700 -1.637 0.000 1.064 173 T N 2.029 116.390 114.554 -0.322 0.000 2.869 173 T HA 0.430 4.779 4.350 -0.001 0.000 0.295 173 T C 0.392 175.001 174.700 -0.152 0.000 0.987 173 T CA 0.082 62.082 62.100 -0.166 0.000 1.109 173 T CB -0.188 68.620 68.868 -0.100 0.000 0.932 173 T HN 0.198 nan 8.240 nan 0.000 0.518 174 I N 2.847 123.378 120.570 -0.066 0.000 2.433 174 I HA 0.489 4.658 4.170 -0.001 0.000 0.292 174 I C 0.363 176.494 176.117 0.024 0.000 1.001 174 I CA -0.766 60.519 61.300 -0.025 0.000 1.119 174 I CB 1.620 39.625 38.000 0.008 0.000 1.289 174 I HN 0.278 nan 8.210 nan 0.000 0.438 175 R N 4.629 125.148 120.500 0.032 0.000 2.589 175 R HA 0.415 4.754 4.340 -0.001 0.000 0.293 175 R C -0.680 175.656 176.300 0.060 0.000 0.963 175 R CA -0.964 55.165 56.100 0.048 0.000 0.905 175 R CB 1.787 32.113 30.300 0.044 0.000 1.144 175 R HN 0.511 nan 8.270 nan 0.000 0.459 176 K N 2.480 122.915 120.400 0.059 0.000 2.273 176 K HA 0.032 4.351 4.320 -0.001 0.000 0.287 176 K C -0.922 175.719 176.600 0.068 0.000 1.089 176 K CA -0.156 56.168 56.287 0.062 0.000 0.909 176 K CB 0.518 33.046 32.500 0.047 0.000 1.123 176 K HN 0.335 nan 8.250 nan 0.000 0.473 177 D N 4.127 124.577 120.400 0.083 0.000 2.638 177 D HA 0.221 4.860 4.640 -0.001 0.000 0.245 177 D C 0.797 177.151 176.300 0.090 0.000 1.176 177 D CA 0.623 54.671 54.000 0.080 0.000 0.996 177 D CB 0.299 41.148 40.800 0.082 0.000 1.012 177 D HN 0.857 nan 8.370 nan 0.000 0.515 178 G N 2.071 110.922 108.800 0.085 0.000 2.889 178 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.308 178 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.308 178 G C 0.850 175.823 174.900 0.120 0.000 1.248 178 G CA 0.426 45.584 45.100 0.096 0.000 0.982 178 G HN 0.455 nan 8.290 nan 0.000 0.571 179 L N 0.793 122.106 121.223 0.150 0.000 2.693 179 L HA 0.393 4.732 4.340 -0.001 0.000 0.235 179 L C 1.121 178.160 176.870 0.282 0.000 1.127 179 L CA 0.098 55.062 54.840 0.207 0.000 0.914 179 L CB 0.353 42.533 42.059 0.201 0.000 1.193 179 L HN 0.194 nan 8.230 nan 0.000 0.502 180 K N 0.812 121.339 120.400 0.213 0.000 2.118 180 K HA 0.607 4.926 4.320 -0.001 0.000 0.254 180 K C -0.833 175.914 176.600 0.244 0.000 0.961 180 K CA -0.440 55.984 56.287 0.228 0.000 0.876 180 K CB 1.869 34.447 32.500 0.130 0.000 1.077 180 K HN -0.059 nan 8.250 nan 0.000 0.440 181 L N 2.447 123.844 121.223 0.290 0.000 2.307 181 L HA 0.450 4.789 4.340 -0.001 0.000 0.284 181 L C -0.847 176.118 176.870 0.159 0.000 1.023 181 L CA -1.146 53.817 54.840 0.206 0.000 0.810 181 L CB 1.681 43.873 42.059 0.222 0.000 1.231 181 L HN 0.270 nan 8.230 nan 0.000 0.423 182 V N 2.093 122.076 119.914 0.116 0.000 2.459 182 V HA 0.583 4.702 4.120 -0.001 0.000 0.295 182 V C 0.599 176.731 176.094 0.064 0.000 1.029 182 V CA -0.498 61.867 62.300 0.109 0.000 0.874 182 V CB 1.661 33.543 31.823 0.097 0.000 0.985 182 V HN 0.871 nan 8.190 nan 0.000 0.438 183 G N 2.076 110.936 108.800 0.099 0.000 2.412 183 G HA2 0.542 4.502 3.960 -0.001 0.000 0.318 183 G HA3 0.542 4.502 3.960 -0.001 0.000 0.318 183 G C -0.550 174.338 174.900 -0.020 0.000 1.146 183 G CA -0.398 44.639 45.100 -0.106 0.000 0.882 183 G HN 0.682 nan 8.290 nan 0.000 0.501 184 S N 0.645 116.184 115.700 -0.269 0.000 2.673 184 S HA 0.437 4.906 4.470 -0.001 0.000 0.256 184 S C -1.044 173.509 174.600 -0.078 0.000 1.141 184 S CA -0.690 57.497 58.200 -0.020 0.000 1.109 184 S CB 0.246 63.438 63.200 -0.014 0.000 1.101 184 S HN 0.514 nan 8.310 nan 0.000 0.471 185 W N 3.384 124.704 121.300 0.033 0.000 2.578 185 W HA 0.561 5.221 4.660 -0.001 0.000 0.346 185 W C 0.464 176.995 176.519 0.020 0.000 1.075 185 W CA -0.770 56.592 57.345 0.028 0.000 1.233 185 W CB 2.066 31.543 29.460 0.028 0.000 1.358 185 W HN 0.746 nan 8.180 nan 0.000 0.574 186 K N 0.826 121.371 120.400 0.242 0.000 2.014 186 K HA 0.011 4.331 4.320 -0.001 0.000 0.305 186 K C 0.321 176.986 176.600 0.108 0.000 1.580 186 K CA -0.238 56.144 56.287 0.160 0.000 0.794 186 K CB -0.415 32.151 32.500 0.110 0.000 3.275 186 K HN 0.141 nan 8.250 nan 0.000 1.056 197 P HA 0.540 nan 4.420 nan 0.000 0.287 197 P C -0.632 176.742 177.300 0.124 0.000 1.292 197 P CA -0.686 62.476 63.100 0.103 0.000 0.879 197 P CB 1.283 33.046 31.700 0.104 0.000 1.214 198 E N 0.784 121.092 120.200 0.180 0.000 2.089 198 E HA 0.298 4.647 4.350 -0.001 0.000 0.284 198 E C -0.401 176.358 176.600 0.266 0.000 1.023 198 E CA -0.467 56.035 56.400 0.170 0.000 0.819 198 E CB 0.899 30.659 29.700 0.101 0.000 1.076 198 E HN 0.315 nan 8.360 nan 0.000 0.396 199 L N 2.834 124.171 121.223 0.190 0.000 2.399 199 L HA 0.423 4.762 4.340 -0.001 0.000 0.266 199 L C 0.397 177.399 176.870 0.219 0.000 1.114 199 L CA 0.205 55.175 54.840 0.216 0.000 0.804 199 L CB 0.607 42.753 42.059 0.144 0.000 1.146 199 L HN 0.378 nan 8.230 nan 0.000 0.451 200 R N 1.125 121.789 120.500 0.274 0.000 2.808 200 R HA 0.324 4.663 4.340 -0.001 0.000 0.254 200 R C -1.740 174.711 176.300 0.252 0.000 1.145 200 R CA -0.571 55.672 56.100 0.238 0.000 1.066 200 R CB 1.169 31.598 30.300 0.215 0.000 1.268 200 R HN 0.361 nan 8.270 nan 0.000 0.447 201 V N 5.213 125.232 119.914 0.175 0.000 2.763 201 V HA 0.087 4.206 4.120 -0.001 0.000 0.306 201 V C 0.515 176.716 176.094 0.178 0.000 1.059 201 V CA 0.154 62.548 62.300 0.158 0.000 1.138 201 V CB 0.634 32.525 31.823 0.113 0.000 0.940 201 V HN 0.518 nan 8.190 nan 0.000 0.489 202 L N 5.078 126.413 121.223 0.185 0.000 2.255 202 L HA 0.363 4.703 4.340 -0.001 0.000 0.289 202 L C 0.726 177.665 176.870 0.115 0.000 1.046 202 L CA 0.004 54.955 54.840 0.185 0.000 0.816 202 L CB 1.080 43.263 42.059 0.207 0.000 1.197 202 L HN 0.838 nan 8.230 nan 0.000 0.427 203 S N 0.817 116.552 115.700 0.058 0.000 2.585 203 S HA 0.142 4.611 4.470 -0.001 0.000 0.273 203 S C 1.192 175.736 174.600 -0.093 0.000 1.339 203 S CA -0.404 57.779 58.200 -0.029 0.000 1.028 203 S CB 1.281 64.468 63.200 -0.023 0.000 0.906 203 S HN 0.628 nan 8.310 nan 0.000 0.528 204 T N 1.397 115.801 114.554 -0.249 0.000 2.635 204 T HA -0.182 4.167 4.350 -0.001 0.000 0.267 204 T C 1.618 176.222 174.700 -0.160 0.000 1.040 204 T CA 1.835 63.728 62.100 -0.344 0.000 1.156 204 T CB -0.654 67.941 68.868 -0.454 0.000 0.863 204 T HN 0.858 nan 8.240 nan 0.000 0.430 205 E N 0.602 120.735 120.200 -0.111 0.000 2.171 205 E HA -0.227 4.123 4.350 -0.001 0.000 0.197 205 E C 2.189 178.761 176.600 -0.047 0.000 0.997 205 E CA 1.191 57.553 56.400 -0.063 0.000 0.810 205 E CB -0.036 29.638 29.700 -0.043 0.000 0.738 205 E HN 0.611 nan 8.360 nan 0.000 0.467 206 E N -0.059 120.116 120.200 -0.041 0.000 2.051 206 E HA -0.130 4.219 4.350 -0.001 0.000 0.189 206 E C 2.181 178.758 176.600 -0.038 0.000 0.979 206 E CA 0.776 57.166 56.400 -0.017 0.000 0.803 206 E CB 0.089 29.800 29.700 0.020 0.000 0.761 206 E HN 0.277 nan 8.360 nan 0.000 0.451 207 I N 1.216 121.733 120.570 -0.088 0.000 2.315 207 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 207 I C 2.578 178.443 176.117 -0.420 0.000 1.117 207 I CA 0.601 61.742 61.300 -0.266 0.000 1.404 207 I CB -0.856 36.969 38.000 -0.291 0.000 1.071 207 I HN 0.259 nan 8.210 nan 0.000 0.419 208 L N 1.742 122.823 121.223 -0.237 0.000 2.079 208 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 208 L C 2.154 179.013 176.870 -0.018 0.000 1.081 208 L CA 1.894 56.655 54.840 -0.131 0.000 0.752 208 L CB -0.950 41.078 42.059 -0.051 0.000 0.896 208 L HN 0.231 nan 8.230 nan 0.000 0.433 209 N N -0.505 118.200 118.700 0.008 0.000 2.207 209 N HA -0.100 4.640 4.740 -0.001 0.000 0.182 209 N C 1.813 177.430 175.510 0.177 0.000 1.020 209 N CA 1.355 54.463 53.050 0.097 0.000 0.858 209 N CB -0.038 38.496 38.487 0.078 0.000 0.991 209 N HN 0.256 nan 8.380 nan 0.000 0.427 210 I N 1.410 122.052 120.570 0.119 0.000 2.091 210 I HA -0.254 3.916 4.170 -0.001 0.000 0.239 210 I C 2.105 178.435 176.117 0.356 0.000 1.061 210 I CA 1.118 62.541 61.300 0.204 0.000 1.317 210 I CB -1.485 36.640 38.000 0.209 0.000 1.031 210 I HN -0.029 nan 8.210 nan 0.000 0.401 211 F N 1.418 121.377 119.950 0.015 0.000 2.091 211 F HA -0.220 4.306 4.527 -0.001 0.000 0.299 211 F C 2.514 178.261 175.800 -0.089 0.000 1.103 211 F CA 1.206 59.161 58.000 -0.075 0.000 1.228 211 F CB -1.404 37.508 39.000 -0.147 0.000 0.984 211 F HN 0.145 nan 8.300 nan 0.000 0.477 212 K N -1.084 119.406 120.400 0.151 0.000 2.286 212 K HA -0.192 4.127 4.320 -0.001 0.000 0.203 212 K C 1.756 178.366 176.600 0.017 0.000 1.045 212 K CA 1.184 57.492 56.287 0.036 0.000 0.935 212 K CB -0.258 32.260 32.500 0.030 0.000 0.737 212 K HN 0.394 nan 8.250 nan 0.000 0.460 213 H N -0.414 118.694 119.070 0.063 0.000 2.553 213 H HA 0.147 4.703 4.556 -0.001 0.000 0.265 213 H C 0.276 175.649 175.328 0.076 0.000 0.964 213 H CA 0.073 56.158 56.048 0.061 0.000 1.156 213 H CB 0.352 30.145 29.762 0.052 0.000 1.411 213 H HN 0.054 nan 8.280 nan 0.000 0.558 214 I N 2.788 123.470 120.570 0.186 0.000 2.556 214 I HA -0.074 4.096 4.170 -0.001 0.000 0.284 214 I C 0.924 177.173 176.117 0.220 0.000 1.114 214 I CA -0.097 61.305 61.300 0.169 0.000 1.418 214 I CB 0.832 38.899 38.000 0.112 0.000 1.394 214 I HN 0.111 nan 8.210 nan 0.000 0.552 215 S N 4.828 120.594 115.700 0.110 0.000 2.584 215 S HA 0.125 4.595 4.470 -0.001 0.000 0.270 215 S C 1.229 175.651 174.600 -0.297 0.000 1.346 215 S CA -0.983 57.214 58.200 -0.006 0.000 1.018 215 S CB 1.494 64.668 63.200 -0.043 0.000 0.899 215 S HN 0.421 nan 8.310 nan 0.000 0.542 216 V N 2.386 122.036 119.914 -0.441 0.000 2.278 216 V HA -0.238 3.881 4.120 -0.001 0.000 0.251 216 V C 2.715 178.277 176.094 -0.886 0.000 1.062 216 V CA 2.217 63.917 62.300 -1.000 0.000 1.038 216 V CB -0.963 30.616 31.823 -0.408 0.000 0.646 216 V HN 0.876 nan 8.190 nan 0.000 0.447 217 K N -0.367 119.781 120.400 -0.420 0.000 1.969 217 K HA -0.222 4.097 4.320 -0.001 0.000 0.216 217 K C 1.983 178.447 176.600 -0.226 0.000 1.048 217 K CA 1.970 58.100 56.287 -0.261 0.000 0.948 217 K CB -0.592 31.822 32.500 -0.142 0.000 0.726 217 K HN 0.440 nan 8.250 nan 0.000 0.442 218 D N 0.577 120.884 120.400 -0.155 0.000 2.149 218 D HA -0.197 4.442 4.640 -0.001 0.000 0.194 218 D C 1.801 178.116 176.300 0.025 0.000 1.001 218 D CA 1.493 55.467 54.000 -0.044 0.000 0.849 218 D CB -0.375 40.432 40.800 0.012 0.000 0.939 218 D HN 0.322 nan 8.370 nan 0.000 0.449 219 F N 0.479 120.431 119.950 0.003 0.000 2.367 219 F HA 0.083 4.609 4.527 -0.001 0.000 0.298 219 F C 2.120 178.008 175.800 0.147 0.000 1.094 219 F CA 0.768 58.792 58.000 0.039 0.000 1.409 219 F CB -1.161 37.750 39.000 -0.149 0.000 1.064 219 F HN -0.237 nan 8.300 nan 0.000 0.528 220 T N 0.016 114.518 114.554 -0.086 0.000 2.674 220 T HA -0.205 4.145 4.350 -0.001 0.000 0.265 220 T C 2.109 176.846 174.700 0.062 0.000 1.039 220 T CA 1.890 63.998 62.100 0.014 0.000 1.150 220 T CB -0.794 68.004 68.868 -0.117 0.000 0.864 220 T HN 0.371 nan 8.240 nan 0.000 0.427 221 S N 0.958 116.674 115.700 0.026 0.000 2.414 221 S HA -0.147 4.323 4.470 -0.001 0.000 0.241 221 S C 1.505 176.185 174.600 0.134 0.000 1.079 221 S CA 1.042 59.278 58.200 0.060 0.000 1.087 221 S CB -0.407 62.820 63.200 0.044 0.000 0.927 221 S HN 0.175 nan 8.310 nan 0.000 0.456 222 L N 0.370 121.727 121.223 0.223 0.000 2.629 222 L HA 0.312 4.651 4.340 -0.001 0.000 0.230 222 L C 1.494 178.502 176.870 0.231 0.000 1.151 222 L CA 0.840 55.906 54.840 0.378 0.000 0.924 222 L CB -0.565 41.797 42.059 0.504 0.000 1.137 222 L HN 0.437 nan 8.230 nan 0.000 0.457 223 G N -1.654 107.191 108.800 0.075 0.000 2.143 223 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.249 223 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.249 223 G C 0.323 175.027 174.900 -0.326 0.000 0.981 223 G CA 0.146 45.156 45.100 -0.151 0.000 0.665 223 G HN 0.230 nan 8.290 nan 0.000 0.528 224 F N 0.234 120.223 119.950 0.064 0.000 2.380 224 F HA 0.620 5.146 4.527 -0.001 0.000 0.319 224 F C 0.732 176.626 175.800 0.156 0.000 1.113 224 F CA -0.919 57.118 58.000 0.062 0.000 1.056 224 F CB 0.981 39.983 39.000 0.002 0.000 1.289 224 F HN 0.023 nan 8.300 nan 0.000 0.515 225 N N 0.957 119.847 118.700 0.317 0.000 2.354 225 N HA 0.071 4.811 4.740 -0.001 0.000 0.287 225 N C 0.485 176.140 175.510 0.242 0.000 1.016 225 N CA -0.227 52.978 53.050 0.258 0.000 0.871 225 N CB 1.518 40.158 38.487 0.255 0.000 1.299 225 N HN 0.854 nan 8.380 nan 0.000 0.482 226 E N 2.046 122.426 120.200 0.298 0.000 2.265 226 E HA -0.101 4.249 4.350 -0.001 0.000 0.196 226 E C 0.409 177.031 176.600 0.037 0.000 0.996 226 E CA 1.166 57.731 56.400 0.275 0.000 0.832 226 E CB 0.221 30.038 29.700 0.196 0.000 0.756 226 E HN 0.311 nan 8.360 nan 0.000 0.491 227 V N -0.484 119.382 119.914 -0.079 0.000 2.690 227 V HA 0.006 4.125 4.120 -0.001 0.000 0.240 227 V C 1.623 177.633 176.094 -0.141 0.000 1.078 227 V CA 0.901 63.046 62.300 -0.260 0.000 1.102 227 V CB -0.328 31.052 31.823 -0.737 0.000 0.800 227 V HN 0.218 nan 8.190 nan 0.000 0.479 228 F N 0.935 121.012 119.950 0.212 0.000 2.656 228 F HA 0.173 4.700 4.527 -0.001 0.000 0.291 228 F C 1.052 177.037 175.800 0.308 0.000 1.122 228 F CA 0.637 58.777 58.000 0.233 0.000 1.427 228 F CB 0.408 39.483 39.000 0.125 0.000 1.125 228 F HN 0.243 nan 8.300 nan 0.000 0.583 229 S N 0.097 115.978 115.700 0.302 0.000 2.564 229 S HA 0.390 4.859 4.470 -0.001 0.000 0.141 229 S C -0.606 173.878 174.600 -0.194 0.000 1.474 229 S CA -0.907 57.395 58.200 0.171 0.000 1.236 229 S CB 0.078 63.410 63.200 0.218 0.000 1.481 229 S HN 0.056 nan 8.310 nan 0.000 0.397 230 R N 1.798 121.707 120.500 -0.985 0.000 2.594 230 R HA 0.318 4.657 4.340 -0.001 0.000 0.272 230 R C -1.864 173.704 176.300 -1.219 0.000 1.074 230 R CA -1.868 53.364 56.100 -1.448 0.000 1.105 230 R CB 0.255 29.355 30.300 -2.000 0.000 1.008 230 R HN 0.252 nan 8.270 nan 0.000 0.472 231 P HA -0.188 nan 4.420 nan 0.000 0.221 231 P C 0.736 177.732 177.300 -0.506 0.000 1.150 231 P CA 1.044 63.360 63.100 -1.308 0.000 0.800 231 P CB 0.087 30.668 31.700 -1.864 0.000 0.787 232 E N -0.975 118.959 120.200 -0.443 0.000 2.333 232 E HA -0.184 4.166 4.350 -0.001 0.000 0.198 232 E C 0.920 177.588 176.600 0.114 0.000 1.007 232 E CA 0.962 57.336 56.400 -0.042 0.000 0.845 232 E CB -1.001 28.671 29.700 -0.047 0.000 0.766 232 E HN 0.318 nan 8.360 nan 0.000 0.507 233 W N 0.709 121.948 121.300 -0.101 0.000 3.047 233 W HA 0.255 4.914 4.660 -0.001 0.000 0.250 233 W C 1.966 178.437 176.519 -0.081 0.000 1.314 233 W CA -0.127 57.184 57.345 -0.057 0.000 1.540 233 W CB -0.651 28.782 29.460 -0.045 0.000 1.127 233 W HN 0.077 nan 8.180 nan 0.000 0.679 234 M N -0.094 119.506 119.600 0.000 0.000 2.374 234 M HA -0.080 4.399 4.480 -0.001 0.000 0.264 234 M C 0.380 176.775 176.300 0.158 0.000 1.067 234 M CA 1.053 56.248 55.300 -0.176 0.000 1.103 234 M CB -0.208 32.240 32.600 -0.252 0.000 1.402 234 M HN -0.366 nan 8.290 nan 0.000 0.444 235 I N 1.958 122.647 120.570 0.199 0.000 2.325 235 I HA 0.229 4.398 4.170 -0.001 0.000 0.291 235 I C -0.102 176.138 176.117 0.205 0.000 1.019 235 I CA -0.458 60.980 61.300 0.229 0.000 1.302 235 I CB 0.365 38.453 38.000 0.146 0.000 1.401 235 I HN 0.089 nan 8.210 nan 0.000 0.485 236 L N 6.198 127.541 121.223 0.200 0.000 2.331 236 L HA 0.275 4.615 4.340 -0.001 0.000 0.278 236 L C 1.354 178.274 176.870 0.084 0.000 1.106 236 L CA -0.101 54.826 54.840 0.144 0.000 0.824 236 L CB 1.054 43.195 42.059 0.136 0.000 1.142 236 L HN 0.752 nan 8.230 nan 0.000 0.443 237 T N -2.188 112.402 114.554 0.060 0.000 2.975 237 T HA 0.072 4.421 4.350 -0.001 0.000 0.261 237 T C 0.187 174.899 174.700 0.019 0.000 0.984 237 T CA -0.231 61.889 62.100 0.032 0.000 0.911 237 T CB 0.306 69.192 68.868 0.030 0.000 1.127 237 T HN 0.566 nan 8.240 nan 0.000 0.514 238 C N 2.001 121.310 119.300 0.016 0.000 2.892 238 C HA 0.597 5.056 4.460 -0.001 0.000 0.360 238 C C -0.477 174.516 174.990 0.004 0.000 1.054 238 C CA -1.228 57.796 59.018 0.010 0.000 1.326 238 C CB -0.520 27.206 27.740 -0.024 0.000 1.806 238 C HN 0.663 nan 8.230 nan 0.000 0.490 239 L N 7.442 128.675 121.223 0.016 0.000 2.410 239 L HA 0.364 4.704 4.340 -0.001 0.000 0.273 239 L C -1.668 175.224 176.870 0.037 0.000 1.152 239 L CA -0.939 53.914 54.840 0.022 0.000 0.855 239 L CB 1.454 43.502 42.059 -0.020 0.000 1.129 239 L HN 0.521 nan 8.230 nan 0.000 0.463 240 P HA 0.082 nan 4.420 nan 0.000 0.281 240 P C -0.788 176.657 177.300 0.240 0.000 1.252 240 P CA -0.186 62.985 63.100 0.119 0.000 0.778 240 P CB 1.175 32.871 31.700 -0.007 0.000 0.895 241 V N 6.784 126.821 119.914 0.205 0.000 2.350 241 V HA 0.246 4.365 4.120 -0.001 0.000 0.276 241 V C -1.795 174.240 176.094 -0.098 0.000 1.028 241 V CA -2.007 60.338 62.300 0.076 0.000 0.860 241 V CB 1.113 32.923 31.823 -0.022 0.000 0.990 241 V HN 0.549 nan 8.190 nan 0.000 0.453 242 P HA 0.208 nan 4.420 nan 0.000 0.268 242 P C -2.642 174.417 177.300 -0.402 0.000 1.205 242 P CA -1.295 61.493 63.100 -0.520 0.000 0.771 242 P CB 0.255 31.878 31.700 -0.130 0.000 0.858 243 P HA 0.207 nan 4.420 nan 0.000 0.276 243 P C -2.036 175.184 177.300 -0.134 0.000 1.261 243 P CA -1.899 61.057 63.100 -0.239 0.000 0.800 243 P CB -0.456 31.110 31.700 -0.222 0.000 1.066 244 P HA -0.142 nan 4.420 nan 0.000 0.218 244 P C -1.288 175.985 177.300 -0.045 0.000 1.152 244 P CA 2.562 65.635 63.100 -0.046 0.000 0.857 244 P CB -1.847 29.839 31.700 -0.023 0.000 0.787 245 P HA -0.108 nan 4.420 nan 0.000 0.219 245 P C 1.311 178.587 177.300 -0.041 0.000 1.146 245 P CA 1.102 64.178 63.100 -0.040 0.000 0.808 245 P CB -0.396 31.279 31.700 -0.042 0.000 0.779 246 V N -0.450 119.429 119.914 -0.059 0.000 2.951 246 V HA -0.046 4.073 4.120 -0.001 0.000 0.255 246 V C 1.392 177.462 176.094 -0.039 0.000 1.088 246 V CA 1.275 63.548 62.300 -0.044 0.000 1.109 246 V CB -0.893 30.897 31.823 -0.055 0.000 0.724 246 V HN 0.188 nan 8.190 nan 0.000 0.471 247 R N -0.475 119.998 120.500 -0.045 0.000 2.727 247 R HA 0.356 4.695 4.340 -0.001 0.000 0.410 247 R C -2.290 173.983 176.300 -0.046 0.000 1.101 247 R CA -1.251 54.822 56.100 -0.046 0.000 1.045 247 R CB -0.732 29.544 30.300 -0.041 0.000 1.380 247 R HN 0.328 nan 8.270 nan 0.000 0.587 264 F N 1.797 121.750 119.950 0.005 0.000 3.059 264 F HA -0.263 4.263 4.527 -0.001 0.000 0.290 264 F C 0.572 176.377 175.800 0.008 0.000 0.786 264 F CA 1.340 59.340 58.000 -0.001 0.000 1.060 264 F CB -1.677 37.321 39.000 -0.003 0.000 1.327 264 F HN 0.268 nan 8.300 nan 0.000 0.409 265 K N 1.183 121.652 120.400 0.114 0.000 2.168 265 K HA 0.269 4.588 4.320 -0.001 0.000 0.201 265 K C 1.945 178.539 176.600 -0.010 0.000 1.049 265 K CA 1.313 57.667 56.287 0.113 0.000 0.974 265 K CB -0.443 32.165 32.500 0.180 0.000 0.792 265 K HN 0.569 nan 8.250 nan 0.000 0.463 266 L N 1.096 122.276 121.223 -0.073 0.000 2.089 266 L HA -0.221 4.118 4.340 -0.001 0.000 0.213 266 L C 2.574 179.379 176.870 -0.108 0.000 1.079 266 L CA 1.769 56.503 54.840 -0.177 0.000 0.758 266 L CB -0.802 41.172 42.059 -0.142 0.000 0.891 266 L HN 0.073 nan 8.230 nan 0.000 0.433 267 A N -0.184 122.628 122.820 -0.012 0.000 1.883 267 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 267 A C 2.083 179.617 177.584 -0.084 0.000 1.186 267 A CA 2.234 54.264 52.037 -0.011 0.000 0.624 267 A CB -0.605 18.432 19.000 0.061 0.000 0.822 267 A HN 0.405 nan 8.150 nan 0.000 0.444 268 D N -0.171 120.155 120.400 -0.123 0.000 2.117 268 D HA -0.072 4.567 4.640 -0.001 0.000 0.198 268 D C 1.962 177.961 176.300 -0.501 0.000 0.982 268 D CA 0.989 54.800 54.000 -0.316 0.000 0.828 268 D CB -0.302 40.282 40.800 -0.360 0.000 0.967 268 D HN 0.516 nan 8.370 nan 0.000 0.464 269 I N 0.731 121.066 120.570 -0.392 0.000 2.151 269 I HA -0.278 3.892 4.170 -0.001 0.000 0.243 269 I C 2.506 178.522 176.117 -0.168 0.000 1.080 269 I CA 0.795 61.943 61.300 -0.253 0.000 1.339 269 I CB -0.313 37.554 38.000 -0.222 0.000 1.039 269 I HN 0.020 nan 8.210 nan 0.000 0.409 270 L N 0.591 121.724 121.223 -0.151 0.000 2.012 270 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 270 L C 2.645 179.471 176.870 -0.075 0.000 1.073 270 L CA 1.676 56.455 54.840 -0.101 0.000 0.748 270 L CB -0.489 41.519 42.059 -0.084 0.000 0.891 270 L HN 0.186 nan 8.230 nan 0.000 0.431 271 K N -0.444 119.903 120.400 -0.088 0.000 2.152 271 K HA -0.170 4.149 4.320 -0.001 0.000 0.206 271 K C 2.127 178.705 176.600 -0.038 0.000 1.048 271 K CA 1.308 57.560 56.287 -0.058 0.000 0.933 271 K CB -0.199 32.262 32.500 -0.065 0.000 0.721 271 K HN 0.332 nan 8.250 nan 0.000 0.447 272 A N 1.493 124.283 122.820 -0.049 0.000 1.872 272 A HA -0.184 4.135 4.320 -0.001 0.000 0.214 272 A C 1.922 179.514 177.584 0.012 0.000 1.187 272 A CA 1.651 53.700 52.037 0.020 0.000 0.614 272 A CB -0.614 18.450 19.000 0.106 0.000 0.826 272 A HN 0.256 nan 8.150 nan 0.000 0.442 273 N N 0.218 118.912 118.700 -0.011 0.000 2.069 273 N HA -0.145 4.594 4.740 -0.001 0.000 0.191 273 N C 1.520 177.028 175.510 -0.003 0.000 1.031 273 N CA 1.888 54.931 53.050 -0.012 0.000 0.852 273 N CB -0.378 38.088 38.487 -0.036 0.000 1.018 273 N HN 0.525 nan 8.380 nan 0.000 0.423 274 I N -0.198 120.368 120.570 -0.006 0.000 2.069 274 I HA -0.349 3.820 4.170 -0.001 0.000 0.237 274 I C 2.274 178.399 176.117 0.013 0.000 1.053 274 I CA 1.771 63.075 61.300 0.006 0.000 1.311 274 I CB -0.620 37.383 38.000 0.006 0.000 1.030 274 I HN 0.316 nan 8.210 nan 0.000 0.398 275 S N 0.585 116.291 115.700 0.010 0.000 2.507 275 S HA -0.132 4.337 4.470 -0.001 0.000 0.235 275 S C 1.854 176.466 174.600 0.019 0.000 0.988 275 S CA 0.705 58.913 58.200 0.014 0.000 0.944 275 S CB -0.362 62.844 63.200 0.012 0.000 0.762 275 S HN 0.370 nan 8.310 nan 0.000 0.526 276 L N 1.530 122.765 121.223 0.020 0.000 2.095 276 L HA 0.227 4.566 4.340 -0.001 0.000 0.204 276 L C 2.313 179.203 176.870 0.033 0.000 1.080 276 L CA 1.732 56.584 54.840 0.020 0.000 0.759 276 L CB -0.762 41.305 42.059 0.014 0.000 0.914 276 L HN 0.259 nan 8.230 nan 0.000 0.439 277 E N -0.878 119.348 120.200 0.044 0.000 2.051 277 E HA -0.147 4.203 4.350 -0.001 0.000 0.192 277 E C 0.442 177.118 176.600 0.126 0.000 0.991 277 E CA 1.517 57.968 56.400 0.084 0.000 0.799 277 E CB -0.225 29.527 29.700 0.088 0.000 0.748 277 E HN 0.396 nan 8.360 nan 0.000 0.449 278 T N 1.298 115.897 114.554 0.075 0.000 4.313 278 T HA 0.189 4.538 4.350 -0.001 0.000 0.272 278 T C 0.238 174.973 174.700 0.058 0.000 1.298 278 T CA 0.165 62.301 62.100 0.061 0.000 1.124 278 T CB 0.177 69.051 68.868 0.010 0.000 1.352 278 T HN -0.016 nan 8.240 nan 0.000 1.013 279 L N -0.078 121.191 121.223 0.078 0.000 1.835 279 L HA 0.154 4.493 4.340 -0.001 0.000 0.207 279 L C 1.707 178.608 176.870 0.052 0.000 1.220 279 L CA 0.799 55.669 54.840 0.051 0.000 1.307 279 L CB -0.064 42.014 42.059 0.031 0.000 2.618 279 L HN 0.178 nan 8.230 nan 0.000 0.514 280 E N -0.460 119.772 120.200 0.052 0.000 2.072 280 E HA -0.127 4.223 4.350 -0.001 0.000 0.190 280 E C 1.409 178.021 176.600 0.020 0.000 0.982 280 E CA 1.063 57.477 56.400 0.023 0.000 0.803 280 E CB -0.128 29.572 29.700 -0.001 0.000 0.755 280 E HN 0.499 nan 8.360 nan 0.000 0.453 281 H N 0.751 119.825 119.070 0.007 0.000 2.492 281 H HA -0.045 4.510 4.556 -0.001 0.000 0.296 281 H C 1.037 176.369 175.328 0.007 0.000 1.095 281 H CA 1.032 57.085 56.048 0.007 0.000 1.281 281 H CB 0.280 30.046 29.762 0.007 0.000 1.374 281 H HN 0.074 nan 8.280 nan 0.000 0.545 282 N N -0.773 118.000 118.700 0.121 0.000 2.205 282 N HA 0.055 4.794 4.740 -0.001 0.000 0.201 282 N C 0.942 176.480 175.510 0.046 0.000 1.128 282 N CA 0.688 53.782 53.050 0.074 0.000 0.867 282 N CB 0.696 39.218 38.487 0.059 0.000 0.996 282 N HN 0.322 nan 8.380 nan 0.000 0.503 283 G N 0.858 109.680 108.800 0.037 0.000 2.379 283 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.297 283 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.297 283 G C 0.326 175.246 174.900 0.033 0.000 1.004 283 G CA 0.629 45.744 45.100 0.025 0.000 0.921 283 G HN 0.567 nan 8.290 nan 0.000 0.511 284 A N 0.053 122.895 122.820 0.037 0.000 2.351 284 A HA 0.760 5.080 4.320 -0.001 0.000 0.257 284 A C -0.842 176.773 177.584 0.051 0.000 1.087 284 A CA -0.949 51.112 52.037 0.039 0.000 0.798 284 A CB 0.362 19.382 19.000 0.033 0.000 1.033 284 A HN 0.288 nan 8.150 nan 0.000 0.488 285 P HA -0.064 nan 4.420 nan 0.000 0.269 285 P C 0.903 178.272 177.300 0.116 0.000 1.205 285 P CA 0.404 63.570 63.100 0.109 0.000 0.780 285 P CB 0.194 31.959 31.700 0.108 0.000 0.858 286 H N 1.220 120.321 119.070 0.051 0.000 2.319 286 H HA -0.235 4.320 4.556 -0.001 0.000 0.299 286 H C 1.654 177.026 175.328 0.073 0.000 1.092 286 H CA 2.337 58.415 56.048 0.051 0.000 1.302 286 H CB -1.143 28.647 29.762 0.047 0.000 1.373 286 H HN 0.542 nan 8.280 nan 0.000 0.497 287 H N 1.151 119.740 119.070 -0.801 0.000 2.387 287 H HA 0.037 4.593 4.556 -0.001 0.000 0.299 287 H C 2.455 177.655 175.328 -0.212 0.000 1.090 287 H CA 2.147 57.876 56.048 -0.532 0.000 1.332 287 H CB -0.292 29.198 29.762 -0.453 0.000 1.386 287 H HN 0.532 nan 8.280 nan 0.000 0.516 288 A N 0.323 123.110 122.820 -0.055 0.000 1.902 288 A HA -0.111 4.208 4.320 -0.001 0.000 0.217 288 A C 2.515 180.062 177.584 -0.061 0.000 1.181 288 A CA 1.533 53.545 52.037 -0.041 0.000 0.623 288 A CB -0.725 18.278 19.000 0.005 0.000 0.818 288 A HN 0.486 nan 8.150 nan 0.000 0.443 289 I N -0.488 120.055 120.570 -0.045 0.000 2.226 289 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 289 I C 2.540 178.617 176.117 -0.066 0.000 1.100 289 I CA 1.666 62.946 61.300 -0.033 0.000 1.374 289 I CB -0.376 37.622 38.000 -0.003 0.000 1.057 289 I HN 0.449 nan 8.210 nan 0.000 0.413 290 E N 0.413 120.543 120.200 -0.116 0.000 2.077 290 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 290 E C 2.075 178.571 176.600 -0.172 0.000 0.989 290 E CA 1.158 57.469 56.400 -0.147 0.000 0.800 290 E CB -0.039 29.541 29.700 -0.199 0.000 0.746 290 E HN 0.477 nan 8.360 nan 0.000 0.452 291 E N 0.361 120.425 120.200 -0.227 0.000 2.051 291 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 291 E C 2.005 178.554 176.600 -0.085 0.000 0.991 291 E CA 1.059 57.353 56.400 -0.175 0.000 0.799 291 E CB -0.078 29.522 29.700 -0.167 0.000 0.748 291 E HN 0.226 nan 8.360 nan 0.000 0.449 292 A N 0.841 123.626 122.820 -0.059 0.000 2.014 292 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 292 A C 1.878 179.459 177.584 -0.005 0.000 1.163 292 A CA 1.055 53.082 52.037 -0.016 0.000 0.652 292 A CB -0.247 18.748 19.000 -0.008 0.000 0.808 292 A HN 0.158 nan 8.150 nan 0.000 0.449 293 E N 0.261 120.444 120.200 -0.028 0.000 2.047 293 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 293 E C 2.167 178.758 176.600 -0.015 0.000 0.987 293 E CA 1.526 57.910 56.400 -0.027 0.000 0.799 293 E CB -0.103 29.567 29.700 -0.050 0.000 0.752 293 E HN 0.766 nan 8.360 nan 0.000 0.449 294 S N 0.395 116.081 115.700 -0.024 0.000 2.562 294 S HA -0.034 4.435 4.470 -0.001 0.000 0.221 294 S C 1.811 176.443 174.600 0.054 0.000 0.975 294 S CA 0.042 58.246 58.200 0.007 0.000 0.918 294 S CB 0.090 63.283 63.200 -0.013 0.000 0.772 294 S HN 0.065 nan 8.310 nan 0.000 0.531 295 L N 0.973 122.223 121.223 0.046 0.000 2.072 295 L HA 0.248 4.587 4.340 -0.001 0.000 0.205 295 L C 2.098 179.094 176.870 0.211 0.000 1.079 295 L CA 1.243 56.142 54.840 0.098 0.000 0.752 295 L CB -0.794 41.318 42.059 0.089 0.000 0.906 295 L HN 0.381 nan 8.230 nan 0.000 0.436 296 L N -0.742 120.576 121.223 0.157 0.000 2.027 296 L HA -0.188 4.151 4.340 -0.001 0.000 0.206 296 L C 2.558 179.506 176.870 0.130 0.000 1.074 296 L CA 1.858 56.791 54.840 0.155 0.000 0.745 296 L CB -0.851 41.250 42.059 0.070 0.000 0.898 296 L HN 0.402 nan 8.230 nan 0.000 0.433 297 Q N -0.548 119.304 119.800 0.086 0.000 2.062 297 Q HA -0.333 4.006 4.340 -0.001 0.000 0.209 297 Q C 2.161 178.223 176.000 0.103 0.000 0.996 297 Q CA 2.663 58.512 55.803 0.077 0.000 0.859 297 Q CB -0.968 27.801 28.738 0.052 0.000 0.920 297 Q HN 0.539 nan 8.270 nan 0.000 0.415 298 F N -0.235 119.703 119.950 -0.020 0.000 2.120 298 F HA -0.250 4.276 4.527 -0.001 0.000 0.300 298 F C 1.827 177.571 175.800 -0.092 0.000 1.095 298 F CA 2.416 60.366 58.000 -0.084 0.000 1.249 298 F CB -0.321 38.569 39.000 -0.183 0.000 0.995 298 F HN 0.321 nan 8.300 nan 0.000 0.480 299 H N -1.634 117.450 119.070 0.023 0.000 2.317 299 H HA -0.054 4.502 4.556 -0.001 0.000 0.304 299 H C 2.295 177.595 175.328 -0.046 0.000 1.067 299 H CA 1.589 57.616 56.048 -0.036 0.000 1.352 299 H CB -0.467 29.321 29.762 0.043 0.000 1.398 299 H HN 0.057 nan 8.280 nan 0.000 0.510 300 V N 1.084 121.059 119.914 0.101 0.000 2.453 300 V HA -0.329 3.791 4.120 -0.001 0.000 0.252 300 V C 2.437 178.585 176.094 0.089 0.000 1.068 300 V CA 1.732 64.073 62.300 0.070 0.000 1.070 300 V CB -0.958 30.892 31.823 0.046 0.000 0.664 300 V HN 0.564 nan 8.190 nan 0.000 0.461 301 A N 0.206 123.030 122.820 0.007 0.000 1.840 301 A HA -0.143 4.176 4.320 -0.001 0.000 0.214 301 A C 2.211 179.743 177.584 -0.087 0.000 1.198 301 A CA 1.936 53.952 52.037 -0.035 0.000 0.608 301 A CB -0.977 17.989 19.000 -0.056 0.000 0.839 301 A HN 0.497 nan 8.150 nan 0.000 0.443 302 T N -0.877 113.530 114.554 -0.244 0.000 3.320 302 T HA -0.031 4.319 4.350 -0.001 0.000 0.258 302 T C 1.227 175.911 174.700 -0.026 0.000 1.176 302 T CA 1.066 63.031 62.100 -0.225 0.000 1.037 302 T CB -0.475 68.113 68.868 -0.466 0.000 0.958 302 T HN 0.558 nan 8.240 nan 0.000 0.545 303 Y N 1.910 122.158 120.300 -0.087 0.000 2.138 303 Y HA 0.181 4.730 4.550 -0.001 0.000 0.286 303 Y C 0.918 176.808 175.900 -0.016 0.000 1.115 303 Y CA 0.398 58.477 58.100 -0.035 0.000 1.105 303 Y CB 0.044 38.493 38.460 -0.018 0.000 1.004 303 Y HN 0.065 nan 8.280 nan 0.000 0.494 347 F N 0.832 120.832 119.950 0.084 0.000 2.900 347 F HA -0.188 4.338 4.527 -0.001 0.000 0.297 347 F C -0.050 175.809 175.800 0.099 0.000 0.822 347 F CA 0.400 58.460 58.000 0.099 0.000 1.393 347 F CB -1.806 37.259 39.000 0.109 0.000 1.485 347 F HN 0.092 nan 8.300 nan 0.000 0.495 348 S N -0.321 115.483 115.700 0.174 0.000 2.638 348 S HA 0.991 5.460 4.470 -0.001 0.000 0.274 348 S C -0.708 173.913 174.600 0.035 0.000 1.157 348 S CA -0.289 57.940 58.200 0.048 0.000 0.826 348 S CB 2.660 65.838 63.200 -0.038 0.000 1.139 348 S HN 1.419 nan 8.310 nan 0.000 0.474 349 A N 0.745 123.578 122.820 0.022 0.000 2.589 349 A HA 0.858 5.177 4.320 -0.001 0.000 0.296 349 A C -1.034 176.649 177.584 0.164 0.000 1.062 349 A CA -0.761 51.338 52.037 0.104 0.000 0.686 349 A CB 1.650 20.761 19.000 0.184 0.000 1.282 349 A HN 0.967 nan 8.150 nan 0.000 0.404 350 R N 0.485 121.039 120.500 0.089 0.000 2.686 350 R HA 0.821 5.160 4.340 -0.001 0.000 0.286 350 R C -1.004 175.268 176.300 -0.048 0.000 0.969 350 R CA 0.040 56.198 56.100 0.096 0.000 0.898 350 R CB 2.193 32.514 30.300 0.035 0.000 1.183 350 R HN 0.998 nan 8.270 nan 0.000 0.456 351 T N 1.275 115.786 114.554 -0.071 0.000 2.722 351 T HA 0.196 4.545 4.350 -0.001 0.000 0.314 351 T C -1.120 173.535 174.700 -0.076 0.000 1.675 351 T CA -0.494 61.478 62.100 -0.213 0.000 1.003 351 T CB 1.135 69.703 68.868 -0.500 0.000 1.602 351 T HN 0.228 nan 8.240 nan 0.000 0.496 352 V N 3.042 122.912 119.914 -0.073 0.000 2.901 352 V HA 0.287 4.406 4.120 -0.001 0.000 0.307 352 V C 0.637 176.771 176.094 0.065 0.000 1.084 352 V CA 0.419 62.725 62.300 0.009 0.000 1.184 352 V CB -0.000 31.818 31.823 -0.008 0.000 0.941 352 V HN 0.676 nan 8.190 nan 0.000 0.493 353 I N 1.291 121.956 120.570 0.157 0.000 2.693 353 I HA 0.892 5.062 4.170 -0.001 0.000 0.303 353 I C -0.248 175.934 176.117 0.107 0.000 1.025 353 I CA -0.266 61.165 61.300 0.218 0.000 1.086 353 I CB 2.375 40.583 38.000 0.347 0.000 1.268 353 I HN 0.512 nan 8.210 nan 0.000 0.440 354 S N 1.688 117.261 115.700 -0.212 0.000 2.556 354 S HA 0.735 5.205 4.470 -0.001 0.000 0.271 354 S C -0.208 173.663 174.600 -1.216 0.000 1.135 354 S CA -0.751 57.015 58.200 -0.723 0.000 0.858 354 S CB 1.646 64.649 63.200 -0.327 0.000 1.114 354 S HN 1.099 nan 8.310 nan 0.000 0.468 355 G N 0.143 107.914 108.800 -1.715 0.000 2.476 355 G HA2 0.511 4.470 3.960 -0.001 0.000 0.269 355 G HA3 0.511 4.470 3.960 -0.001 0.000 0.269 355 G C -1.242 173.472 174.900 -0.309 0.000 1.195 355 G CA -0.110 44.472 45.100 -0.864 0.000 0.843 355 G HN 0.563 nan 8.290 nan 0.000 0.545 356 D N 1.791 122.116 120.400 -0.125 0.000 2.402 356 D HA 0.292 4.931 4.640 -0.001 0.000 0.252 356 D C -1.636 174.664 176.300 -0.000 0.000 1.294 356 D CA -1.558 52.408 54.000 -0.057 0.000 0.948 356 D CB 2.302 43.078 40.800 -0.040 0.000 1.202 356 D HN -0.028 nan 8.370 nan 0.000 0.561 357 P HA -0.149 nan 4.420 nan 0.000 0.218 357 P C 0.251 177.565 177.300 0.023 0.000 1.150 357 P CA 1.380 64.487 63.100 0.011 0.000 0.841 357 P CB 0.271 31.961 31.700 -0.015 0.000 0.784 358 N N -1.875 116.847 118.700 0.036 0.000 2.270 358 N HA 0.128 4.867 4.740 -0.001 0.000 0.198 358 N C 0.110 175.660 175.510 0.068 0.000 1.117 358 N CA -0.208 52.885 53.050 0.071 0.000 0.845 358 N CB 0.000 38.553 38.487 0.110 0.000 0.980 358 N HN 0.120 nan 8.380 nan 0.000 0.486 359 L N 1.042 122.295 121.223 0.050 0.000 2.379 359 L HA 0.268 4.608 4.340 -0.001 0.000 0.269 359 L C 0.629 177.533 176.870 0.055 0.000 1.084 359 L CA -0.863 54.005 54.840 0.047 0.000 0.802 359 L CB 0.771 42.850 42.059 0.034 0.000 1.175 359 L HN 0.135 nan 8.230 nan 0.000 0.448 360 E N 1.251 121.479 120.200 0.048 0.000 2.404 360 E HA -0.026 4.323 4.350 -0.001 0.000 0.261 360 E C 0.793 177.411 176.600 0.030 0.000 1.074 360 E CA -0.316 56.111 56.400 0.045 0.000 0.917 360 E CB 0.965 30.684 29.700 0.032 0.000 0.965 360 E HN 0.439 nan 8.360 nan 0.000 0.433 361 L N 2.208 123.436 121.223 0.009 0.000 2.064 361 L HA -0.241 4.098 4.340 -0.001 0.000 0.216 361 L C 1.346 178.162 176.870 -0.091 0.000 1.077 361 L CA 2.366 57.163 54.840 -0.072 0.000 0.766 361 L CB -0.376 41.568 42.059 -0.192 0.000 0.890 361 L HN 0.567 nan 8.230 nan 0.000 0.435 362 D N -1.608 118.733 120.400 -0.097 0.000 2.358 362 D HA 0.001 4.640 4.640 -0.001 0.000 0.224 362 D C 0.412 176.669 176.300 -0.072 0.000 1.123 362 D CA -0.088 53.804 54.000 -0.180 0.000 0.833 362 D CB -0.125 40.576 40.800 -0.166 0.000 0.946 362 D HN 0.508 nan 8.370 nan 0.000 0.505 363 Q N -0.168 119.666 119.800 0.058 0.000 2.204 363 Q HA 0.557 4.897 4.340 -0.001 0.000 0.254 363 Q C -1.203 174.878 176.000 0.135 0.000 0.981 363 Q CA -1.014 54.840 55.803 0.086 0.000 0.897 363 Q CB 3.120 31.876 28.738 0.030 0.000 1.273 363 Q HN 0.050 nan 8.270 nan 0.000 0.464 364 V N 0.457 120.335 119.914 -0.061 0.000 2.623 364 V HA 0.636 4.755 4.120 -0.001 0.000 0.304 364 V C -0.614 175.351 176.094 -0.215 0.000 1.054 364 V CA -0.397 61.721 62.300 -0.303 0.000 0.882 364 V CB 1.657 32.970 31.823 -0.850 0.000 1.002 364 V HN 0.825 nan 8.190 nan 0.000 0.424 365 G N 5.545 114.261 108.800 -0.140 0.000 2.361 365 G HA2 0.487 4.447 3.960 -0.001 0.000 0.260 365 G HA3 0.487 4.447 3.960 -0.001 0.000 0.260 365 G C -0.654 174.244 174.900 -0.004 0.000 1.261 365 G CA -0.136 44.931 45.100 -0.055 0.000 0.897 365 G HN 0.896 nan 8.290 nan 0.000 0.499 366 V N 5.829 125.743 119.914 0.001 0.000 2.357 366 V HA 0.258 4.378 4.120 -0.001 0.000 0.284 366 V C -2.007 174.097 176.094 0.017 0.000 1.018 366 V CA -1.753 60.603 62.300 0.093 0.000 0.841 366 V CB 2.054 33.887 31.823 0.017 0.000 0.991 366 V HN 0.564 nan 8.190 nan 0.000 0.437 367 P HA 0.053 nan 4.420 nan 0.000 0.265 367 P C 0.793 178.011 177.300 -0.138 0.000 1.193 367 P CA 0.068 63.118 63.100 -0.083 0.000 0.765 367 P CB 0.690 32.315 31.700 -0.126 0.000 0.823 368 K N 2.847 123.135 120.400 -0.187 0.000 2.089 368 K HA -0.226 4.093 4.320 -0.001 0.000 0.210 368 K C 1.835 178.283 176.600 -0.254 0.000 1.048 368 K CA 2.336 58.454 56.287 -0.281 0.000 0.926 368 K CB -0.367 31.994 32.500 -0.232 0.000 0.714 368 K HN 0.537 nan 8.250 nan 0.000 0.448 369 S N -0.025 115.568 115.700 -0.178 0.000 2.423 369 S HA -0.115 4.355 4.470 -0.001 0.000 0.231 369 S C 1.928 176.451 174.600 -0.129 0.000 1.014 369 S CA 1.079 59.192 58.200 -0.145 0.000 0.965 369 S CB -0.322 62.810 63.200 -0.114 0.000 0.785 369 S HN 0.342 nan 8.310 nan 0.000 0.495 370 I N 1.713 122.212 120.570 -0.119 0.000 2.480 370 I HA 0.066 4.236 4.170 -0.001 0.000 0.251 370 I C 2.934 179.020 176.117 -0.052 0.000 1.124 370 I CA 0.770 62.031 61.300 -0.065 0.000 1.444 370 I CB -0.450 37.525 38.000 -0.041 0.000 1.098 370 I HN 0.390 nan 8.210 nan 0.000 0.428 371 A N 0.702 123.452 122.820 -0.118 0.000 1.978 371 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 371 A C 2.224 179.687 177.584 -0.201 0.000 1.170 371 A CA 1.580 53.528 52.037 -0.147 0.000 0.636 371 A CB -0.430 18.376 19.000 -0.325 0.000 0.810 371 A HN 0.318 nan 8.150 nan 0.000 0.448 372 K N -0.880 119.317 120.400 -0.339 0.000 2.288 372 K HA -0.044 4.276 4.320 -0.001 0.000 0.201 372 K C 1.458 177.973 176.600 -0.143 0.000 1.048 372 K CA 1.469 57.402 56.287 -0.589 0.000 0.956 372 K CB -0.100 32.151 32.500 -0.416 0.000 0.746 372 K HN 0.513 nan 8.250 nan 0.000 0.461 373 T N 0.697 115.237 114.554 -0.024 0.000 3.067 373 T HA 0.125 4.475 4.350 -0.001 0.000 0.257 373 T C 0.520 175.317 174.700 0.161 0.000 1.105 373 T CA 0.436 62.579 62.100 0.072 0.000 1.104 373 T CB 0.157 69.046 68.868 0.036 0.000 0.925 373 T HN -0.007 nan 8.240 nan 0.000 0.498 374 L N 2.400 123.734 121.223 0.185 0.000 2.333 374 L HA 0.525 4.865 4.340 -0.001 0.000 0.280 374 L C 0.290 177.337 176.870 0.294 0.000 1.004 374 L CA -0.809 54.186 54.840 0.257 0.000 0.820 374 L CB 1.784 43.970 42.059 0.211 0.000 1.247 374 L HN 0.078 nan 8.230 nan 0.000 0.416 375 T N -1.046 113.701 114.554 0.323 0.000 2.942 375 T HA 0.576 4.925 4.350 -0.001 0.000 0.289 375 T C -1.103 173.686 174.700 0.147 0.000 1.044 375 T CA -0.705 61.549 62.100 0.257 0.000 1.023 375 T CB 2.013 71.032 68.868 0.251 0.000 1.123 375 T HN 0.374 nan 8.240 nan 0.000 0.512 376 Y N 1.833 122.139 120.300 0.010 0.000 2.361 376 Y HA 0.553 5.102 4.550 -0.001 0.000 0.337 376 Y C -2.869 173.009 175.900 -0.038 0.000 0.965 376 Y CA -2.843 55.217 58.100 -0.066 0.000 1.091 376 Y CB 2.340 40.783 38.460 -0.027 0.000 1.182 376 Y HN 0.483 nan 8.280 nan 0.000 0.450 377 P HA 0.147 nan 4.420 nan 0.000 0.279 377 P C -1.189 175.807 177.300 -0.508 0.000 1.318 377 P CA 0.051 62.859 63.100 -0.487 0.000 0.819 377 P CB 0.692 32.154 31.700 -0.397 0.000 0.927 378 E N 3.303 123.431 120.200 -0.121 0.000 2.113 378 E HA 0.268 4.617 4.350 -0.001 0.000 0.273 378 E C -0.624 176.022 176.600 0.078 0.000 0.924 378 E CA -0.904 55.539 56.400 0.072 0.000 0.764 378 E CB 0.898 30.740 29.700 0.237 0.000 1.104 378 E HN 0.060 nan 8.360 nan 0.000 0.406 379 V N 4.780 124.741 119.914 0.078 0.000 2.673 379 V HA -0.027 4.092 4.120 -0.001 0.000 0.303 379 V C 0.168 176.340 176.094 0.130 0.000 1.046 379 V CA -0.158 62.203 62.300 0.103 0.000 1.126 379 V CB 1.219 33.096 31.823 0.090 0.000 0.934 379 V HN 0.514 nan 8.190 nan 0.000 0.487 380 V N 6.039 126.047 119.914 0.157 0.000 2.470 380 V HA 0.359 4.478 4.120 -0.001 0.000 0.276 380 V C 0.609 176.782 176.094 0.133 0.000 1.040 380 V CA 0.243 62.638 62.300 0.159 0.000 1.008 380 V CB 0.855 32.782 31.823 0.173 0.000 0.990 380 V HN 1.120 nan 8.190 nan 0.000 0.477 381 T N 2.897 117.485 114.554 0.058 0.000 2.907 381 T HA 0.512 4.862 4.350 -0.001 0.000 0.290 381 T C -2.182 172.352 174.700 -0.276 0.000 1.066 381 T CA -2.131 59.842 62.100 -0.212 0.000 1.012 381 T CB 2.278 71.057 68.868 -0.149 0.000 1.184 381 T HN 0.290 nan 8.240 nan 0.000 0.522 382 P HA -0.088 nan 4.420 nan 0.000 0.216 382 P C 0.819 177.972 177.300 -0.245 0.000 1.150 382 P CA 1.303 64.165 63.100 -0.397 0.000 0.843 382 P CB -0.327 31.012 31.700 -0.601 0.000 0.787 383 Y N 0.129 120.400 120.300 -0.049 0.000 2.497 383 Y HA -0.093 4.456 4.550 -0.001 0.000 0.292 383 Y C 1.640 177.542 175.900 0.004 0.000 1.137 383 Y CA 1.060 59.148 58.100 -0.020 0.000 1.285 383 Y CB -1.303 37.142 38.460 -0.026 0.000 0.991 383 Y HN 0.211 nan 8.280 nan 0.000 0.556 384 N N -1.381 117.399 118.700 0.132 0.000 2.113 384 N HA 0.013 4.753 4.740 -0.001 0.000 0.223 384 N C 1.060 176.617 175.510 0.079 0.000 1.310 384 N CA 0.062 53.176 53.050 0.107 0.000 0.896 384 N CB -1.072 37.488 38.487 0.122 0.000 1.097 384 N HN 0.306 nan 8.380 nan 0.000 0.507 385 I N 1.284 121.903 120.570 0.082 0.000 2.181 385 I HA -0.355 3.814 4.170 -0.001 0.000 0.247 385 I C 1.066 177.202 176.117 0.031 0.000 1.081 385 I CA 1.935 63.276 61.300 0.070 0.000 1.340 385 I CB -0.034 38.025 38.000 0.099 0.000 1.036 385 I HN 0.003 nan 8.210 nan 0.000 0.417 386 D N -0.026 120.392 120.400 0.030 0.000 2.078 386 D HA -0.211 4.429 4.640 -0.001 0.000 0.193 386 D C 2.262 178.571 176.300 0.014 0.000 0.990 386 D CA 1.333 55.342 54.000 0.014 0.000 0.827 386 D CB -0.344 40.465 40.800 0.015 0.000 0.975 386 D HN 0.298 nan 8.370 nan 0.000 0.451 387 R N 0.291 120.805 120.500 0.024 0.000 2.094 387 R HA -0.125 4.215 4.340 -0.001 0.000 0.239 387 R C 2.442 178.752 176.300 0.016 0.000 1.137 387 R CA 1.117 57.228 56.100 0.019 0.000 0.943 387 R CB -0.419 29.898 30.300 0.028 0.000 0.850 387 R HN 0.177 nan 8.270 nan 0.000 0.433 388 L N -0.442 120.800 121.223 0.031 0.000 2.017 388 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 388 L C 2.552 179.433 176.870 0.019 0.000 1.073 388 L CA 1.832 56.693 54.840 0.034 0.000 0.745 388 L CB -0.790 41.305 42.059 0.060 0.000 0.894 388 L HN 0.334 nan 8.230 nan 0.000 0.432 389 T N -0.943 113.619 114.554 0.012 0.000 2.653 389 T HA -0.334 4.016 4.350 -0.001 0.000 0.268 389 T C 1.831 176.528 174.700 -0.005 0.000 1.035 389 T CA 2.028 64.128 62.100 -0.001 0.000 1.154 389 T CB -0.164 68.695 68.868 -0.016 0.000 0.862 389 T HN 0.230 nan 8.240 nan 0.000 0.441 390 Q N 0.598 120.394 119.800 -0.007 0.000 2.061 390 Q HA -0.016 4.324 4.340 -0.001 0.000 0.204 390 Q C 2.182 178.169 176.000 -0.021 0.000 0.984 390 Q CA 1.609 57.404 55.803 -0.013 0.000 0.846 390 Q CB -0.719 28.011 28.738 -0.012 0.000 0.902 390 Q HN 0.553 nan 8.270 nan 0.000 0.421 391 L N -0.937 120.271 121.223 -0.025 0.000 1.994 391 L HA -0.179 4.160 4.340 -0.001 0.000 0.208 391 L C 2.348 179.186 176.870 -0.052 0.000 1.071 391 L CA 1.166 55.978 54.840 -0.046 0.000 0.745 391 L CB -0.746 41.285 42.059 -0.047 0.000 0.892 391 L HN 0.109 nan 8.230 nan 0.000 0.431 392 V N -0.040 119.855 119.914 -0.031 0.000 2.380 392 V HA -0.331 3.788 4.120 -0.001 0.000 0.251 392 V C 2.670 178.746 176.094 -0.029 0.000 1.063 392 V CA 1.822 64.106 62.300 -0.027 0.000 1.055 392 V CB -0.646 31.183 31.823 0.010 0.000 0.657 392 V HN 0.416 nan 8.190 nan 0.000 0.455 393 R N 0.104 120.592 120.500 -0.021 0.000 2.075 393 R HA -0.113 4.227 4.340 -0.001 0.000 0.232 393 R C 2.188 178.475 176.300 -0.022 0.000 1.126 393 R CA 1.564 57.654 56.100 -0.018 0.000 0.963 393 R CB -0.392 29.900 30.300 -0.013 0.000 0.858 393 R HN 0.618 nan 8.270 nan 0.000 0.435 394 N N 0.152 118.838 118.700 -0.024 0.000 2.223 394 N HA -0.075 4.665 4.740 -0.001 0.000 0.185 394 N C 1.192 176.693 175.510 -0.015 0.000 1.016 394 N CA 1.180 54.221 53.050 -0.014 0.000 0.863 394 N CB -0.152 38.331 38.487 -0.007 0.000 0.983 394 N HN 0.305 nan 8.380 nan 0.000 0.429 395 G N 1.145 109.919 108.800 -0.044 0.000 2.697 395 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.240 395 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.240 395 G C -1.945 172.933 174.900 -0.036 0.000 1.346 395 G CA -0.042 45.017 45.100 -0.068 0.000 0.887 395 G HN 0.118 nan 8.290 nan 0.000 0.569 396 P HA -0.029 nan 4.420 nan 0.000 0.218 396 P C 1.300 178.685 177.300 0.142 0.000 1.149 396 P CA 1.837 64.964 63.100 0.046 0.000 0.817 396 P CB -0.170 31.482 31.700 -0.080 0.000 0.785 397 N N -1.429 117.305 118.700 0.056 0.000 2.422 397 N HA 0.030 4.770 4.740 -0.001 0.000 0.181 397 N C 0.436 175.981 175.510 0.059 0.000 1.080 397 N CA 0.183 53.256 53.050 0.038 0.000 0.893 397 N CB 0.149 38.632 38.487 -0.006 0.000 0.973 397 N HN 0.219 nan 8.380 nan 0.000 0.456 398 E N -0.416 119.846 120.200 0.103 0.000 2.221 398 E HA 0.279 4.629 4.350 -0.001 0.000 0.268 398 E C -1.288 175.428 176.600 0.192 0.000 0.933 398 E CA -0.622 55.838 56.400 0.100 0.000 0.809 398 E CB 1.511 31.243 29.700 0.053 0.000 1.190 398 E HN 0.148 nan 8.360 nan 0.000 0.406 399 H N 1.909 121.013 119.070 0.057 0.000 2.572 399 H HA 0.395 4.950 4.556 -0.001 0.000 0.359 399 H C -2.262 173.105 175.328 0.065 0.000 1.134 399 H CA -2.160 53.941 56.048 0.088 0.000 1.187 399 H CB 1.087 30.831 29.762 -0.031 0.000 1.597 399 H HN 0.267 nan 8.280 nan 0.000 0.524 400 P HA 0.195 nan 4.420 nan 0.000 0.265 400 P C -0.071 177.166 177.300 -0.106 0.000 1.222 400 P CA -0.015 62.670 63.100 -0.692 0.000 0.767 400 P CB 1.092 32.516 31.700 -0.460 0.000 0.801 401 G N 1.641 110.581 108.800 0.232 0.000 3.135 401 G HA2 0.784 4.744 3.960 -0.001 0.000 0.159 401 G HA3 0.784 4.744 3.960 -0.001 0.000 0.159 401 G C -1.325 173.238 174.900 -0.562 0.000 1.244 401 G CA -0.343 44.678 45.100 -0.132 0.000 0.965 401 G HN 0.757 nan 8.290 nan 0.000 0.599 402 A N -1.858 120.573 122.820 -0.649 0.000 2.605 402 A HA 0.690 5.010 4.320 -0.001 0.000 0.294 402 A C -0.128 177.246 177.584 -0.349 0.000 1.062 402 A CA -0.365 51.399 52.037 -0.454 0.000 0.682 402 A CB 1.339 20.228 19.000 -0.184 0.000 1.278 402 A HN 0.482 nan 8.150 nan 0.000 0.410 403 K N -0.666 119.597 120.400 -0.229 0.000 2.350 403 K HA 0.311 4.630 4.320 -0.001 0.000 0.196 403 K C -0.929 175.336 176.600 -0.559 0.000 1.084 403 K CA 0.909 56.998 56.287 -0.331 0.000 0.967 403 K CB 0.443 32.823 32.500 -0.201 0.000 0.950 403 K HN 0.634 nan 8.250 nan 0.000 0.512 404 Y N -0.708 119.581 120.300 -0.019 0.000 2.588 404 Y HA 0.407 4.956 4.550 -0.001 0.000 0.343 404 Y C -0.845 175.051 175.900 -0.007 0.000 1.065 404 Y CA -1.332 56.763 58.100 -0.009 0.000 1.038 404 Y CB 1.889 40.350 38.460 0.002 0.000 1.297 404 Y HN -0.431 nan 8.280 nan 0.000 0.467 405 V N 3.642 123.654 119.914 0.163 0.000 2.483 405 V HA 0.458 4.578 4.120 -0.001 0.000 0.297 405 V C -0.823 175.269 176.094 -0.003 0.000 1.027 405 V CA -0.666 61.695 62.300 0.102 0.000 0.855 405 V CB 1.335 33.235 31.823 0.129 0.000 0.995 405 V HN 0.484 nan 8.190 nan 0.000 0.424 406 I N 5.131 125.673 120.570 -0.047 0.000 2.354 406 I HA 0.546 4.716 4.170 -0.001 0.000 0.292 406 I C 0.574 176.472 176.117 -0.365 0.000 0.989 406 I CA -0.068 61.132 61.300 -0.167 0.000 1.188 406 I CB 1.368 39.305 38.000 -0.105 0.000 1.342 406 I HN 0.546 nan 8.210 nan 0.000 0.457 407 R N 3.420 123.525 120.500 -0.658 0.000 2.527 407 R HA 0.321 4.660 4.340 -0.001 0.000 0.243 407 R C 0.669 176.633 176.300 -0.560 0.000 1.206 407 R CA -0.682 54.676 56.100 -1.235 0.000 1.134 407 R CB 0.396 29.856 30.300 -1.399 0.000 1.347 407 R HN 0.505 nan 8.270 nan 0.000 0.580 408 D N 0.539 120.709 120.400 -0.384 0.000 2.120 408 D HA -0.234 4.405 4.640 -0.001 0.000 0.191 408 D C 1.831 178.078 176.300 -0.087 0.000 0.994 408 D CA 2.333 56.295 54.000 -0.063 0.000 0.838 408 D CB -0.853 39.996 40.800 0.081 0.000 0.976 408 D HN 0.569 nan 8.370 nan 0.000 0.447 409 S N -0.149 115.497 115.700 -0.091 0.000 2.453 409 S HA -0.183 4.287 4.470 -0.001 0.000 0.250 409 S C 1.837 176.386 174.600 -0.084 0.000 1.044 409 S CA 2.102 60.258 58.200 -0.073 0.000 1.010 409 S CB -0.652 62.501 63.200 -0.078 0.000 0.793 409 S HN 0.643 nan 8.310 nan 0.000 0.493 410 G N 0.076 108.802 108.800 -0.124 0.000 2.179 410 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.220 410 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.220 410 G C -0.359 174.470 174.900 -0.118 0.000 0.990 410 G CA 0.057 45.094 45.100 -0.106 0.000 0.646 410 G HN 0.583 nan 8.290 nan 0.000 0.517 411 D N 1.197 121.511 120.400 -0.143 0.000 2.312 411 D HA 0.364 5.003 4.640 -0.001 0.000 0.252 411 D C 1.008 177.232 176.300 -0.127 0.000 1.150 411 D CA -0.318 53.610 54.000 -0.120 0.000 0.870 411 D CB 0.479 41.215 40.800 -0.107 0.000 1.153 411 D HN 0.592 nan 8.370 nan 0.000 0.457 412 R N 3.352 123.804 120.500 -0.080 0.000 2.204 412 R HA 0.404 4.743 4.340 -0.001 0.000 0.341 412 R C -0.038 176.307 176.300 0.076 0.000 1.035 412 R CA -0.565 55.515 56.100 -0.033 0.000 0.887 412 R CB 0.278 30.504 30.300 -0.125 0.000 1.114 412 R HN 0.280 nan 8.270 nan 0.000 0.473 413 I N 3.217 123.834 120.570 0.078 0.000 2.436 413 I HA -0.009 4.160 4.170 -0.001 0.000 0.289 413 I C 0.248 176.475 176.117 0.183 0.000 1.083 413 I CA -0.098 61.258 61.300 0.093 0.000 1.372 413 I CB 0.507 38.525 38.000 0.030 0.000 1.408 413 I HN 0.592 nan 8.210 nan 0.000 0.516 414 D N 7.274 127.778 120.400 0.174 0.000 2.316 414 D HA 0.153 4.792 4.640 -0.001 0.000 0.245 414 D C 0.714 176.955 176.300 -0.099 0.000 1.171 414 D CA -0.150 53.874 54.000 0.041 0.000 0.856 414 D CB 1.283 42.197 40.800 0.190 0.000 1.090 414 D HN 0.449 nan 8.370 nan 0.000 0.476 415 L N 3.540 124.614 121.223 -0.248 0.000 2.599 415 L HA 0.117 4.456 4.340 -0.001 0.000 0.230 415 L C 2.230 178.951 176.870 -0.249 0.000 1.141 415 L CA 0.067 54.794 54.840 -0.188 0.000 0.877 415 L CB -0.044 41.908 42.059 -0.179 0.000 1.009 415 L HN 0.285 nan 8.230 nan 0.000 0.447 416 R N -0.690 119.578 120.500 -0.386 0.000 2.100 416 R HA -0.038 4.302 4.340 -0.001 0.000 0.220 416 R C 1.326 177.201 176.300 -0.709 0.000 1.091 416 R CA 1.334 57.042 56.100 -0.653 0.000 0.986 416 R CB 0.195 29.883 30.300 -1.019 0.000 0.888 416 R HN 0.305 nan 8.270 nan 0.000 0.444 417 Y N -2.086 118.194 120.300 -0.034 0.000 2.423 417 Y HA 0.277 4.826 4.550 -0.001 0.000 0.257 417 Y C 0.595 176.491 175.900 -0.007 0.000 1.087 417 Y CA -0.524 57.569 58.100 -0.013 0.000 1.258 417 Y CB 0.603 39.062 38.460 -0.002 0.000 1.237 417 Y HN -0.145 nan 8.280 nan 0.000 0.517 418 S N 1.824 117.581 115.700 0.096 0.000 2.546 418 S HA -0.050 4.419 4.470 -0.001 0.000 0.290 418 S C 1.338 175.967 174.600 0.047 0.000 1.262 418 S CA -0.118 58.123 58.200 0.067 0.000 1.083 418 S CB 0.456 63.681 63.200 0.042 0.000 0.859 418 S HN 0.384 nan 8.310 nan 0.000 0.495 419 K N 3.441 123.870 120.400 0.049 0.000 2.184 419 K HA -0.217 4.103 4.320 -0.001 0.000 0.210 419 K C 1.388 178.004 176.600 0.027 0.000 1.048 419 K CA 1.853 58.161 56.287 0.035 0.000 0.931 419 K CB -0.106 32.413 32.500 0.032 0.000 0.718 419 K HN 0.601 nan 8.250 nan 0.000 0.465 420 R N -1.098 119.419 120.500 0.029 0.000 2.546 420 R HA 0.225 4.564 4.340 -0.001 0.000 0.320 420 R C 1.597 177.912 176.300 0.024 0.000 1.021 420 R CA 0.244 56.361 56.100 0.029 0.000 1.088 420 R CB 0.586 30.909 30.300 0.039 0.000 1.278 420 R HN 0.115 nan 8.270 nan 0.000 0.557 421 A N 1.051 123.878 122.820 0.012 0.000 1.923 421 A HA -0.240 4.079 4.320 -0.001 0.000 0.222 421 A C 2.052 179.635 177.584 -0.002 0.000 1.258 421 A CA 2.297 54.331 52.037 -0.006 0.000 0.670 421 A CB -0.923 18.062 19.000 -0.026 0.000 0.834 421 A HN 0.478 nan 8.150 nan 0.000 0.470 422 G N -1.790 107.011 108.800 0.001 0.000 3.042 422 G HA2 0.263 4.222 3.960 -0.001 0.000 0.212 422 G HA3 0.263 4.222 3.960 -0.001 0.000 0.212 422 G C 0.211 175.115 174.900 0.007 0.000 1.166 422 G CA 0.970 46.070 45.100 0.001 0.000 0.767 422 G HN 0.602 nan 8.290 nan 0.000 0.546 423 D N 0.488 120.897 120.400 0.015 0.000 2.607 423 D HA 0.313 4.952 4.640 -0.001 0.000 0.318 423 D C -0.176 176.146 176.300 0.038 0.000 1.212 423 D CA -0.519 53.492 54.000 0.019 0.000 0.861 423 D CB -0.193 40.617 40.800 0.017 0.000 1.064 423 D HN 0.038 nan 8.370 nan 0.000 0.500 424 I N 0.970 121.566 120.570 0.043 0.000 2.465 424 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 424 I C -0.209 175.934 176.117 0.043 0.000 1.014 424 I CA -0.875 60.475 61.300 0.084 0.000 1.093 424 I CB 2.249 40.323 38.000 0.124 0.000 1.267 424 I HN 0.106 nan 8.210 nan 0.000 0.431 425 Q N 6.322 126.136 119.800 0.024 0.000 2.508 425 Q HA 0.447 4.787 4.340 -0.001 0.000 0.247 425 Q C -0.924 174.897 176.000 -0.298 0.000 1.047 425 Q CA -0.705 55.037 55.803 -0.101 0.000 0.783 425 Q CB 1.797 30.469 28.738 -0.110 0.000 1.172 425 Q HN 0.557 nan 8.270 nan 0.000 0.515 426 L N 2.655 123.704 121.223 -0.291 0.000 2.578 426 L HA -0.084 4.255 4.340 -0.001 0.000 0.279 426 L C 0.595 176.922 176.870 -0.906 0.000 1.227 426 L CA 0.465 54.989 54.840 -0.527 0.000 0.900 426 L CB -0.069 41.882 42.059 -0.180 0.000 1.144 426 L HN 0.331 nan 8.230 nan 0.000 0.496 427 Q N 2.489 121.280 119.800 -1.682 0.000 2.214 427 Q HA 0.332 4.671 4.340 -0.001 0.000 0.251 427 Q C -0.674 174.919 176.000 -0.677 0.000 0.936 427 Q CA -0.574 54.477 55.803 -1.253 0.000 0.894 427 Q CB 1.021 28.949 28.738 -1.350 0.000 1.252 427 Q HN 0.358 nan 8.270 nan 0.000 0.448 428 Y N -0.343 119.752 120.300 -0.341 0.000 2.597 428 Y HA 0.165 4.714 4.550 -0.001 0.000 0.336 428 Y C 1.666 177.544 175.900 -0.036 0.000 1.216 428 Y CA 0.656 58.665 58.100 -0.152 0.000 1.463 428 Y CB 0.418 38.809 38.460 -0.115 0.000 1.303 428 Y HN 0.912 nan 8.280 nan 0.000 0.576 429 G N 0.985 109.926 108.800 0.235 0.000 2.241 429 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.244 429 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.244 429 G C -0.195 174.919 174.900 0.356 0.000 0.998 429 G CA -0.385 44.862 45.100 0.244 0.000 0.621 429 G HN 0.569 nan 8.290 nan 0.000 0.519 430 W N 0.903 122.240 121.300 0.061 0.000 2.086 430 W HA 0.747 5.407 4.660 -0.001 0.000 0.355 430 W C 0.766 177.305 176.519 0.035 0.000 1.313 430 W CA -0.537 56.831 57.345 0.038 0.000 1.358 430 W CB 0.364 29.843 29.460 0.031 0.000 1.166 430 W HN 0.076 nan 8.180 nan 0.000 0.630 431 K N 0.106 120.641 120.400 0.224 0.000 2.318 431 K HA 0.621 4.941 4.320 -0.001 0.000 0.249 431 K C -1.502 175.170 176.600 0.120 0.000 0.942 431 K CA -0.797 55.560 56.287 0.115 0.000 0.808 431 K CB 2.189 34.706 32.500 0.028 0.000 1.189 431 K HN 0.095 nan 8.250 nan 0.000 0.428 432 V N 2.772 122.741 119.914 0.092 0.000 2.380 432 V HA 0.157 4.276 4.120 -0.001 0.000 0.286 432 V C -0.677 175.451 176.094 0.057 0.000 1.015 432 V CA -0.747 61.607 62.300 0.091 0.000 0.834 432 V CB 1.330 33.210 31.823 0.095 0.000 1.009 432 V HN 0.757 nan 8.190 nan 0.000 0.428 433 E N 4.961 125.206 120.200 0.076 0.000 1.909 433 E HA 0.069 4.418 4.350 -0.001 0.000 0.253 433 E C 0.460 177.099 176.600 0.066 0.000 1.268 433 E CA -0.078 56.373 56.400 0.085 0.000 0.999 433 E CB 0.137 29.956 29.700 0.197 0.000 1.072 433 E HN 0.646 nan 8.360 nan 0.000 0.428 434 R N 1.833 122.367 120.500 0.058 0.000 2.536 434 R HA 0.339 4.678 4.340 -0.001 0.000 0.279 434 R C -0.457 175.908 176.300 0.109 0.000 1.001 434 R CA -0.703 55.404 56.100 0.011 0.000 1.027 434 R CB 0.765 31.092 30.300 0.045 0.000 1.096 434 R HN 0.361 nan 8.270 nan 0.000 0.502 435 H N 1.192 120.338 119.070 0.127 0.000 2.998 435 H HA 0.008 4.563 4.556 -0.001 0.000 0.353 435 H C 0.618 176.056 175.328 0.184 0.000 1.099 435 H CA 0.010 56.162 56.048 0.172 0.000 1.393 435 H CB 0.418 30.323 29.762 0.238 0.000 1.343 435 H HN 0.540 nan 8.280 nan 0.000 0.609 436 I N 0.120 120.883 120.570 0.321 0.000 2.836 436 I HA 0.150 4.320 4.170 -0.001 0.000 0.285 436 I C -0.072 176.210 176.117 0.275 0.000 1.174 436 I CA 0.280 61.710 61.300 0.216 0.000 1.405 436 I CB 0.486 38.567 38.000 0.136 0.000 1.385 436 I HN 0.418 nan 8.210 nan 0.000 0.594 437 M N 2.012 121.714 119.600 0.169 0.000 2.664 437 M HA 0.336 4.815 4.480 -0.001 0.000 0.279 437 M C -1.098 175.254 176.300 0.087 0.000 1.275 437 M CA -0.856 54.546 55.300 0.170 0.000 0.829 437 M CB 1.893 34.544 32.600 0.085 0.000 1.727 437 M HN 0.514 nan 8.290 nan 0.000 0.459 438 D N 2.287 122.738 120.400 0.086 0.000 2.581 438 D HA 0.027 4.667 4.640 -0.001 0.000 0.238 438 D C 0.180 176.485 176.300 0.007 0.000 1.145 438 D CA 1.509 55.532 54.000 0.038 0.000 0.866 438 D CB 0.076 40.900 40.800 0.040 0.000 1.151 438 D HN 0.591 nan 8.370 nan 0.000 0.500 439 N N 0.664 119.359 118.700 -0.009 0.000 2.994 439 N HA -0.163 4.576 4.740 -0.001 0.000 0.221 439 N C -0.924 174.557 175.510 -0.047 0.000 0.900 439 N CA 0.518 53.553 53.050 -0.025 0.000 1.008 439 N CB -0.919 37.554 38.487 -0.024 0.000 1.053 439 N HN 0.466 nan 8.380 nan 0.000 0.580 440 D N 2.325 122.692 120.400 -0.055 0.000 2.493 440 D HA 0.101 4.740 4.640 -0.001 0.000 0.240 440 D C -2.021 174.237 176.300 -0.071 0.000 1.142 440 D CA -0.325 53.617 54.000 -0.097 0.000 0.872 440 D CB 0.428 41.171 40.800 -0.094 0.000 1.173 440 D HN 0.193 nan 8.370 nan 0.000 0.467 441 P HA 0.027 nan 4.420 nan 0.000 0.276 441 P C -0.376 176.916 177.300 -0.013 0.000 1.264 441 P CA -0.304 62.773 63.100 -0.039 0.000 0.769 441 P CB 0.719 32.393 31.700 -0.043 0.000 0.840 442 V N 2.201 122.123 119.914 0.015 0.000 2.960 442 V HA 0.569 4.689 4.120 -0.001 0.000 0.315 442 V C -0.523 175.635 176.094 0.106 0.000 1.087 442 V CA -1.426 60.900 62.300 0.043 0.000 0.982 442 V CB 2.078 33.897 31.823 -0.005 0.000 1.039 442 V HN 0.225 nan 8.190 nan 0.000 0.437 443 L N 3.195 124.514 121.223 0.160 0.000 2.275 443 L HA 0.695 5.034 4.340 -0.001 0.000 0.288 443 L C -0.938 176.128 176.870 0.327 0.000 1.046 443 L CA -0.168 54.808 54.840 0.226 0.000 0.805 443 L CB 0.896 43.068 42.059 0.187 0.000 1.193 443 L HN 0.758 nan 8.230 nan 0.000 0.426 444 F N 6.154 126.161 119.950 0.095 0.000 2.540 444 F HA 0.587 5.114 4.527 -0.001 0.000 0.317 444 F C -0.511 175.326 175.800 0.061 0.000 1.104 444 F CA -0.813 57.145 58.000 -0.070 0.000 0.913 444 F CB 1.428 40.196 39.000 -0.387 0.000 1.170 444 F HN 0.666 nan 8.300 nan 0.000 0.450 445 N N 4.994 123.436 118.700 -0.431 0.000 2.405 445 N HA 0.355 5.094 4.740 -0.001 0.000 0.274 445 N C -2.121 173.172 175.510 -0.361 0.000 1.170 445 N CA -0.662 52.279 53.050 -0.180 0.000 0.848 445 N CB 2.679 41.204 38.487 0.063 0.000 1.629 445 N HN 0.848 nan 8.380 nan 0.000 0.481 446 R N 1.643 122.053 120.500 -0.150 0.000 2.599 446 R HA 0.340 4.679 4.340 -0.001 0.000 0.295 446 R C -0.778 175.517 176.300 -0.007 0.000 0.963 446 R CA -0.374 55.650 56.100 -0.128 0.000 0.883 446 R CB 1.584 31.806 30.300 -0.130 0.000 1.171 446 R HN 0.630 nan 8.270 nan 0.000 0.450 447 Q N 3.553 123.342 119.800 -0.018 0.000 2.227 447 Q HA 0.395 4.734 4.340 -0.001 0.000 0.245 447 Q C -2.074 173.929 176.000 0.005 0.000 0.926 447 Q CA -1.998 53.808 55.803 0.004 0.000 0.895 447 Q CB 1.390 30.130 28.738 0.003 0.000 1.230 447 Q HN 0.461 nan 8.270 nan 0.000 0.450 448 P HA 0.037 nan 4.420 nan 0.000 0.279 448 P C -1.043 176.271 177.300 0.025 0.000 1.239 448 P CA -0.431 62.674 63.100 0.010 0.000 0.789 448 P CB 0.922 32.623 31.700 0.002 0.000 0.933 449 S N 2.246 117.963 115.700 0.029 0.000 2.464 449 S HA 0.279 4.748 4.470 -0.001 0.000 0.313 449 S C 0.944 175.573 174.600 0.048 0.000 1.078 449 S CA -0.719 57.513 58.200 0.053 0.000 1.096 449 S CB -0.181 63.044 63.200 0.041 0.000 1.032 449 S HN 0.342 nan 8.310 nan 0.000 0.498 450 L N 2.165 123.433 121.223 0.075 0.000 2.477 450 L HA 0.286 4.625 4.340 -0.001 0.000 0.220 450 L C 1.058 177.982 176.870 0.091 0.000 1.106 450 L CA 0.203 55.059 54.840 0.025 0.000 0.851 450 L CB -0.471 41.551 42.059 -0.062 0.000 0.994 450 L HN 0.902 nan 8.230 nan 0.000 0.462 451 H N -3.141 115.885 119.070 -0.073 0.000 2.933 451 H HA 0.299 4.855 4.556 -0.001 0.000 0.310 451 H C 0.164 175.439 175.328 -0.089 0.000 1.351 451 H CA -0.906 55.088 56.048 -0.090 0.000 1.137 451 H CB 1.109 30.808 29.762 -0.104 0.000 1.853 451 H HN -0.175 nan 8.280 nan 0.000 0.539 452 K N 1.105 121.347 120.400 -0.262 0.000 2.323 452 K HA 0.040 4.360 4.320 -0.001 0.000 0.197 452 K C 1.020 177.423 176.600 -0.328 0.000 1.043 452 K CA 0.581 56.731 56.287 -0.228 0.000 0.997 452 K CB 0.263 32.670 32.500 -0.154 0.000 0.807 452 K HN 0.714 nan 8.250 nan 0.000 0.497 453 M N 0.685 119.946 119.600 -0.566 0.000 2.766 453 M HA 0.130 4.609 4.480 -0.001 0.000 0.208 453 M C 0.434 176.387 176.300 -0.578 0.000 1.152 453 M CA 0.715 55.700 55.300 -0.526 0.000 1.013 453 M CB -0.104 32.191 32.600 -0.509 0.000 1.813 453 M HN 0.046 nan 8.290 nan 0.000 0.478 454 S N -0.141 115.332 115.700 -0.378 0.000 2.649 454 S HA 0.435 4.905 4.470 -0.001 0.000 0.246 454 S C 0.361 175.017 174.600 0.092 0.000 1.057 454 S CA -0.367 57.730 58.200 -0.170 0.000 1.051 454 S CB 0.519 63.724 63.200 0.007 0.000 1.018 454 S HN 0.581 nan 8.310 nan 0.000 0.569 455 M N 2.196 121.804 119.600 0.014 0.000 2.134 455 M HA 0.522 5.001 4.480 -0.001 0.000 0.310 455 M C -1.169 175.173 176.300 0.071 0.000 0.966 455 M CA 0.156 55.517 55.300 0.102 0.000 0.922 455 M CB 1.774 34.397 32.600 0.038 0.000 1.537 455 M HN 0.138 nan 8.290 nan 0.000 0.424 456 M N 1.618 121.341 119.600 0.206 0.000 2.593 456 M HA 0.731 5.210 4.480 -0.001 0.000 0.290 456 M C -0.664 175.804 176.300 0.280 0.000 1.244 456 M CA -0.848 54.538 55.300 0.144 0.000 0.857 456 M CB 2.595 35.225 32.600 0.050 0.000 1.738 456 M HN 0.679 nan 8.290 nan 0.000 0.461 457 A N 1.045 123.944 122.820 0.131 0.000 2.309 457 A HA 0.664 4.983 4.320 -0.001 0.000 0.298 457 A C -1.021 176.621 177.584 0.097 0.000 1.165 457 A CA -0.328 51.792 52.037 0.138 0.000 0.821 457 A CB 0.309 19.332 19.000 0.039 0.000 1.102 457 A HN 0.877 nan 8.150 nan 0.000 0.500 458 H N 0.921 119.995 119.070 0.007 0.000 2.771 458 H HA 0.417 4.972 4.556 -0.001 0.000 0.367 458 H C -0.590 174.699 175.328 -0.066 0.000 1.172 458 H CA -0.860 55.166 56.048 -0.037 0.000 1.186 458 H CB 1.754 31.462 29.762 -0.091 0.000 1.790 458 H HN 0.684 nan 8.280 nan 0.000 0.556 459 R N 0.983 121.509 120.500 0.042 0.000 2.312 459 R HA 0.292 4.632 4.340 -0.001 0.000 0.311 459 R C -0.461 175.829 176.300 -0.016 0.000 1.004 459 R CA -0.662 55.436 56.100 -0.003 0.000 0.902 459 R CB 1.345 31.635 30.300 -0.016 0.000 1.073 459 R HN 0.201 nan 8.270 nan 0.000 0.457 460 V N 3.452 123.344 119.914 -0.037 0.000 2.740 460 V HA 0.063 4.183 4.120 -0.001 0.000 0.303 460 V C 0.507 176.582 176.094 -0.031 0.000 1.054 460 V CA 0.248 62.515 62.300 -0.056 0.000 1.106 460 V CB 0.758 32.558 31.823 -0.038 0.000 0.957 460 V HN 0.577 nan 8.190 nan 0.000 0.486 461 K N 3.609 123.985 120.400 -0.040 0.000 2.604 461 K HA 0.387 4.707 4.320 -0.001 0.000 0.247 461 K C -1.216 175.370 176.600 -0.024 0.000 0.956 461 K CA -0.484 55.793 56.287 -0.016 0.000 0.896 461 K CB 1.844 34.338 32.500 -0.010 0.000 1.131 461 K HN 0.487 nan 8.250 nan 0.000 0.440 462 V N 6.129 126.034 119.914 -0.016 0.000 2.572 462 V HA 0.236 4.355 4.120 -0.001 0.000 0.291 462 V C 0.522 176.586 176.094 -0.050 0.000 1.039 462 V CA -0.121 62.142 62.300 -0.063 0.000 1.055 462 V CB 0.148 31.909 31.823 -0.105 0.000 0.969 462 V HN 0.625 nan 8.190 nan 0.000 0.482 463 I N 3.293 123.823 120.570 -0.068 0.000 3.006 463 I HA 0.705 4.874 4.170 -0.001 0.000 0.306 463 I C -2.726 173.333 176.117 -0.096 0.000 1.250 463 I CA -2.500 58.771 61.300 -0.048 0.000 0.996 463 I CB 2.278 40.279 38.000 0.001 0.000 1.261 463 I HN 0.342 nan 8.210 nan 0.000 0.442 464 P HA 0.167 nan 4.420 nan 0.000 0.280 464 P C -0.963 176.190 177.300 -0.245 0.000 1.278 464 P CA 0.383 63.280 63.100 -0.338 0.000 0.787 464 P CB 0.098 31.418 31.700 -0.634 0.000 1.163 465 Y N -2.999 117.268 120.300 -0.055 0.000 2.537 465 Y HA -0.250 4.300 4.550 -0.001 0.000 0.382 465 Y C 1.365 177.215 175.900 -0.085 0.000 1.683 465 Y CA 1.131 59.194 58.100 -0.062 0.000 1.418 465 Y CB -2.104 36.324 38.460 -0.053 0.000 2.033 465 Y HN 0.483 nan 8.280 nan 0.000 0.268 466 S N -2.132 113.613 115.700 0.074 0.000 2.664 466 S HA 0.427 4.896 4.470 -0.001 0.000 0.245 466 S C -0.077 174.446 174.600 -0.129 0.000 1.019 466 S CA 0.178 58.346 58.200 -0.053 0.000 0.996 466 S CB -0.086 63.082 63.200 -0.054 0.000 0.878 466 S HN 1.065 nan 8.310 nan 0.000 0.493 467 T N -1.200 113.301 114.554 -0.088 0.000 2.932 467 T HA 0.699 5.048 4.350 -0.001 0.000 0.289 467 T C -0.393 174.270 174.700 -0.062 0.000 1.039 467 T CA -0.879 61.147 62.100 -0.122 0.000 1.024 467 T CB 0.782 69.619 68.868 -0.052 0.000 1.090 467 T HN 0.196 nan 8.240 nan 0.000 0.496 468 F N 0.939 120.876 119.950 -0.022 0.000 2.382 468 F HA 0.542 5.068 4.527 -0.001 0.000 0.331 468 F C 1.415 177.170 175.800 -0.075 0.000 1.121 468 F CA -1.080 56.886 58.000 -0.058 0.000 1.183 468 F CB 1.100 40.124 39.000 0.041 0.000 1.207 468 F HN 0.330 nan 8.300 nan 0.000 0.555 469 R N 3.295 123.848 120.500 0.089 0.000 2.575 469 R HA 0.606 4.945 4.340 -0.001 0.000 0.293 469 R C -1.561 174.713 176.300 -0.043 0.000 0.983 469 R CA -0.891 55.193 56.100 -0.026 0.000 0.887 469 R CB 2.259 32.533 30.300 -0.044 0.000 1.184 469 R HN 0.557 nan 8.270 nan 0.000 0.445 470 L N 1.587 122.804 121.223 -0.010 0.000 2.354 470 L HA 0.413 4.752 4.340 -0.001 0.000 0.269 470 L C 0.093 177.027 176.870 0.107 0.000 1.005 470 L CA -1.133 53.768 54.840 0.101 0.000 0.819 470 L CB 1.926 44.144 42.059 0.265 0.000 1.311 470 L HN 0.564 nan 8.230 nan 0.000 0.423 471 N N 1.578 120.359 118.700 0.136 0.000 2.454 471 N HA 0.029 4.768 4.740 -0.001 0.000 0.254 471 N C 0.872 176.491 175.510 0.182 0.000 1.228 471 N CA 0.076 53.200 53.050 0.123 0.000 0.900 471 N CB 1.232 39.773 38.487 0.090 0.000 1.089 471 N HN 0.567 nan 8.380 nan 0.000 0.449 472 L N 2.648 123.979 121.223 0.179 0.000 2.051 472 L HA -0.221 4.119 4.340 -0.001 0.000 0.214 472 L C 2.246 179.225 176.870 0.183 0.000 1.076 472 L CA 1.448 56.422 54.840 0.224 0.000 0.758 472 L CB -0.369 41.806 42.059 0.194 0.000 0.890 472 L HN 0.563 nan 8.230 nan 0.000 0.433 473 S N -1.161 114.626 115.700 0.144 0.000 2.595 473 S HA -0.061 4.408 4.470 -0.001 0.000 0.235 473 S C 1.653 176.261 174.600 0.014 0.000 0.974 473 S CA 0.907 59.162 58.200 0.091 0.000 0.942 473 S CB -0.213 63.040 63.200 0.088 0.000 0.766 473 S HN 0.446 nan 8.310 nan 0.000 0.536 474 V N -2.410 117.566 119.914 0.102 0.000 3.506 474 V HA 0.064 4.183 4.120 -0.001 0.000 0.263 474 V C 1.908 178.162 176.094 0.267 0.000 1.203 474 V CA 0.768 63.169 62.300 0.169 0.000 1.133 474 V CB -1.355 30.680 31.823 0.355 0.000 0.802 474 V HN 0.214 nan 8.190 nan 0.000 0.459 475 T N 1.460 116.146 114.554 0.220 0.000 2.620 475 T HA -0.309 4.040 4.350 -0.001 0.000 0.267 475 T C 2.111 176.867 174.700 0.094 0.000 1.044 475 T CA 2.930 65.110 62.100 0.133 0.000 1.161 475 T CB -0.441 68.451 68.868 0.039 0.000 0.862 475 T HN 0.772 nan 8.240 nan 0.000 0.438 476 S N 1.105 116.842 115.700 0.062 0.000 2.345 476 S HA -0.042 4.427 4.470 -0.001 0.000 0.220 476 S C -0.575 174.045 174.600 0.033 0.000 1.031 476 S CA 1.161 59.384 58.200 0.039 0.000 0.996 476 S CB -1.193 62.028 63.200 0.035 0.000 0.882 476 S HN 0.330 nan 8.310 nan 0.000 0.445 477 P HA -0.057 nan 4.420 nan 0.000 0.219 477 P C 0.499 177.724 177.300 -0.125 0.000 1.146 477 P CA 1.220 64.250 63.100 -0.117 0.000 0.808 477 P CB -0.240 31.272 31.700 -0.313 0.000 0.779 478 Y N -1.601 118.717 120.300 0.031 0.000 2.517 478 Y HA 0.104 4.653 4.550 -0.001 0.000 0.281 478 Y C 1.030 176.932 175.900 0.003 0.000 1.125 478 Y CA -0.030 58.075 58.100 0.010 0.000 1.283 478 Y CB -0.333 38.118 38.460 -0.014 0.000 1.042 478 Y HN -0.024 nan 8.280 nan 0.000 0.547 479 N N 0.497 119.278 118.700 0.134 0.000 2.725 479 N HA -0.191 4.548 4.740 -0.001 0.000 0.251 479 N C -0.794 174.729 175.510 0.022 0.000 1.031 479 N CA 0.013 53.095 53.050 0.054 0.000 0.720 479 N CB -0.747 37.760 38.487 0.033 0.000 0.930 479 N HN 0.280 nan 8.380 nan 0.000 0.543 480 A N 1.101 123.924 122.820 0.004 0.000 2.325 480 A HA 0.644 4.963 4.320 -0.001 0.000 0.333 480 A C -0.232 177.207 177.584 -0.241 0.000 1.155 480 A CA -0.146 51.840 52.037 -0.084 0.000 0.814 480 A CB 1.257 20.223 19.000 -0.056 0.000 1.206 480 A HN 0.580 nan 8.150 nan 0.000 0.482 481 D N -0.635 119.591 120.400 -0.289 0.000 2.579 481 D HA 0.396 5.036 4.640 -0.001 0.000 0.257 481 D C -1.320 174.755 176.300 -0.375 0.000 1.176 481 D CA -0.567 53.112 54.000 -0.534 0.000 0.914 481 D CB 0.649 41.257 40.800 -0.320 0.000 1.431 481 D HN 0.292 nan 8.370 nan 0.000 0.454 482 F N 0.614 120.577 119.950 0.022 0.000 2.611 482 F HA 0.222 4.749 4.527 -0.001 0.000 0.321 482 F C 0.625 176.431 175.800 0.009 0.000 1.208 482 F CA -0.734 57.276 58.000 0.018 0.000 1.249 482 F CB 0.326 39.340 39.000 0.022 0.000 1.514 482 F HN 0.196 nan 8.300 nan 0.000 0.561 483 D N -0.460 120.000 120.400 0.100 0.000 2.623 483 D HA 0.279 4.919 4.640 -0.001 0.000 0.252 483 D C 1.303 177.629 176.300 0.043 0.000 1.294 483 D CA -0.042 53.993 54.000 0.058 0.000 0.824 483 D CB 0.606 41.417 40.800 0.018 0.000 1.070 483 D HN 0.489 nan 8.370 nan 0.000 0.487 484 G N 0.269 109.106 108.800 0.061 0.000 2.229 484 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.189 484 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.189 484 G C -0.244 174.679 174.900 0.039 0.000 1.000 484 G CA -0.373 44.752 45.100 0.040 0.000 0.663 484 G HN 0.346 nan 8.290 nan 0.000 0.493 485 D N 1.448 121.876 120.400 0.047 0.000 2.449 485 D HA 0.475 5.114 4.640 -0.001 0.000 0.236 485 D C 0.679 177.009 176.300 0.050 0.000 1.149 485 D CA 0.827 54.846 54.000 0.032 0.000 0.878 485 D CB 0.577 41.387 40.800 0.017 0.000 1.198 485 D HN 0.506 nan 8.370 nan 0.000 0.446 486 E N 0.754 120.969 120.200 0.025 0.000 2.336 486 E HA 0.627 4.977 4.350 -0.001 0.000 0.267 486 E C -0.526 176.076 176.600 0.005 0.000 0.906 486 E CA -0.808 55.615 56.400 0.038 0.000 0.781 486 E CB 2.175 31.888 29.700 0.022 0.000 1.261 486 E HN 0.308 nan 8.360 nan 0.000 0.436 487 M N 1.124 120.761 119.600 0.061 0.000 2.631 487 M HA 0.375 4.854 4.480 -0.001 0.000 0.288 487 M C -1.376 174.948 176.300 0.040 0.000 1.260 487 M CA -0.961 54.270 55.300 -0.115 0.000 0.842 487 M CB 2.261 34.532 32.600 -0.549 0.000 1.743 487 M HN 0.288 nan 8.290 nan 0.000 0.461 488 N N 1.974 120.587 118.700 -0.145 0.000 2.408 488 N HA 0.616 5.355 4.740 -0.001 0.000 0.280 488 N C -1.642 173.822 175.510 -0.077 0.000 1.002 488 N CA -0.437 52.574 53.050 -0.066 0.000 0.907 488 N CB 1.669 40.104 38.487 -0.087 0.000 1.161 488 N HN 0.566 nan 8.380 nan 0.000 0.488 489 L N 2.786 123.994 121.223 -0.025 0.000 2.322 489 L HA 0.490 4.829 4.340 -0.001 0.000 0.281 489 L C -0.922 175.840 176.870 -0.179 0.000 1.014 489 L CA -0.611 54.222 54.840 -0.013 0.000 0.815 489 L CB 0.784 42.742 42.059 -0.168 0.000 1.247 489 L HN 0.518 nan 8.230 nan 0.000 0.421 490 H N 4.605 123.747 119.070 0.120 0.000 2.529 490 H HA 0.369 4.925 4.556 -0.001 0.000 0.348 490 H C -0.963 174.434 175.328 0.115 0.000 1.079 490 H CA -0.711 55.413 56.048 0.128 0.000 1.198 490 H CB 2.265 32.093 29.762 0.110 0.000 1.521 490 H HN 0.367 nan 8.280 nan 0.000 0.514 491 V N 5.638 125.702 119.914 0.251 0.000 2.364 491 V HA 0.160 4.280 4.120 -0.001 0.000 0.272 491 V C -2.004 174.170 176.094 0.133 0.000 1.036 491 V CA -1.716 60.686 62.300 0.170 0.000 0.880 491 V CB 0.856 32.776 31.823 0.162 0.000 0.991 491 V HN 0.586 nan 8.190 nan 0.000 0.460 492 P HA 0.145 nan 4.420 nan 0.000 0.269 492 P C 0.034 177.401 177.300 0.113 0.000 1.215 492 P CA -0.065 63.090 63.100 0.092 0.000 0.780 492 P CB 0.582 32.327 31.700 0.075 0.000 0.898 493 Q N -0.241 119.581 119.800 0.037 0.000 2.171 493 Q HA 0.186 4.526 4.340 -0.001 0.000 0.218 493 Q C 0.084 176.029 176.000 -0.092 0.000 0.822 493 Q CA 0.241 55.967 55.803 -0.128 0.000 0.987 493 Q CB 0.485 29.044 28.738 -0.298 0.000 1.144 493 Q HN 0.623 nan 8.270 nan 0.000 0.494 494 S N -2.025 113.740 115.700 0.107 0.000 2.607 494 S HA 0.404 4.873 4.470 -0.001 0.000 0.273 494 S C 0.545 175.266 174.600 0.201 0.000 1.148 494 S CA -0.601 57.655 58.200 0.093 0.000 0.833 494 S CB 2.030 65.246 63.200 0.025 0.000 1.130 494 S HN -0.156 nan 8.310 nan 0.000 0.470 495 E N 1.028 121.327 120.200 0.164 0.000 2.058 495 E HA -0.117 4.233 4.350 -0.001 0.000 0.194 495 E C 1.508 178.149 176.600 0.068 0.000 0.997 495 E CA 2.212 58.691 56.400 0.132 0.000 0.801 495 E CB -0.359 29.404 29.700 0.105 0.000 0.746 495 E HN 0.795 nan 8.360 nan 0.000 0.450 496 E N -0.889 119.341 120.200 0.050 0.000 2.153 496 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 496 E C 2.091 178.707 176.600 0.027 0.000 0.988 496 E CA 1.792 58.210 56.400 0.031 0.000 0.811 496 E CB -0.395 29.317 29.700 0.020 0.000 0.746 496 E HN 0.476 nan 8.360 nan 0.000 0.466 497 T N -1.087 113.489 114.554 0.036 0.000 2.851 497 T HA -0.026 4.323 4.350 -0.001 0.000 0.262 497 T C 1.895 176.611 174.700 0.026 0.000 1.043 497 T CA 0.516 62.633 62.100 0.029 0.000 1.140 497 T CB -0.144 68.745 68.868 0.034 0.000 0.872 497 T HN -0.027 nan 8.240 nan 0.000 0.446 498 R N 1.393 121.913 120.500 0.034 0.000 2.134 498 R HA -0.108 4.231 4.340 -0.001 0.000 0.248 498 R C 2.918 179.210 176.300 -0.013 0.000 1.143 498 R CA 1.773 57.868 56.100 -0.009 0.000 0.957 498 R CB -0.843 29.429 30.300 -0.047 0.000 0.867 498 R HN 0.571 nan 8.270 nan 0.000 0.441 499 A N 0.659 123.477 122.820 -0.003 0.000 1.855 499 A HA -0.218 4.102 4.320 -0.001 0.000 0.215 499 A C 2.006 179.588 177.584 -0.003 0.000 1.191 499 A CA 1.532 53.566 52.037 -0.005 0.000 0.613 499 A CB -0.527 18.476 19.000 0.005 0.000 0.829 499 A HN 0.376 nan 8.150 nan 0.000 0.442 500 E N -0.170 120.031 120.200 0.003 0.000 2.065 500 E HA -0.221 4.128 4.350 -0.001 0.000 0.201 500 E C 1.976 178.571 176.600 -0.009 0.000 1.016 500 E CA 1.695 58.094 56.400 -0.001 0.000 0.818 500 E CB -0.249 29.450 29.700 -0.002 0.000 0.749 500 E HN 0.601 nan 8.360 nan 0.000 0.453 501 L N 0.298 121.518 121.223 -0.005 0.000 1.994 501 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 501 L C 2.694 179.554 176.870 -0.016 0.000 1.071 501 L CA 1.726 56.563 54.840 -0.005 0.000 0.745 501 L CB -0.977 41.088 42.059 0.009 0.000 0.892 501 L HN 0.283 nan 8.230 nan 0.000 0.431 502 S N -1.338 114.349 115.700 -0.021 0.000 2.481 502 S HA -0.104 4.365 4.470 -0.001 0.000 0.231 502 S C 1.703 176.284 174.600 -0.032 0.000 0.996 502 S CA 0.465 58.647 58.200 -0.030 0.000 0.942 502 S CB -0.033 63.146 63.200 -0.035 0.000 0.768 502 S HN 0.422 nan 8.310 nan 0.000 0.520 503 Q N 0.167 119.952 119.800 -0.025 0.000 2.352 503 Q HA 0.431 4.770 4.340 -0.001 0.000 0.212 503 Q C 1.625 177.605 176.000 -0.033 0.000 0.888 503 Q CA 0.370 56.159 55.803 -0.024 0.000 0.934 503 Q CB 0.195 28.926 28.738 -0.011 0.000 1.093 503 Q HN 0.558 nan 8.270 nan 0.000 0.523 504 L N -1.893 119.308 121.223 -0.036 0.000 2.730 504 L HA 0.152 4.492 4.340 -0.001 0.000 0.236 504 L C 1.510 178.345 176.870 -0.057 0.000 1.061 504 L CA 0.230 55.041 54.840 -0.048 0.000 0.898 504 L CB 0.423 42.456 42.059 -0.042 0.000 1.270 504 L HN 0.030 nan 8.230 nan 0.000 0.500 505 C N 0.400 119.671 119.300 -0.048 0.000 3.065 505 C HA 0.484 4.943 4.460 -0.001 0.000 0.285 505 C C 1.525 176.478 174.990 -0.062 0.000 1.257 505 C CA -0.993 57.994 59.018 -0.051 0.000 1.691 505 C CB -0.421 27.304 27.740 -0.025 0.000 2.089 505 C HN 0.376 nan 8.230 nan 0.000 0.630 506 A N 1.494 124.275 122.820 -0.064 0.000 2.608 506 A HA 0.216 4.535 4.320 -0.001 0.000 0.239 506 A C 1.489 178.991 177.584 -0.136 0.000 1.018 506 A CA 0.562 52.545 52.037 -0.091 0.000 0.766 506 A CB 0.205 19.158 19.000 -0.079 0.000 0.928 506 A HN 0.330 nan 8.150 nan 0.000 0.512 507 V N 4.315 124.101 119.914 -0.213 0.000 2.250 507 V HA -0.263 3.857 4.120 -0.001 0.000 0.253 507 V C -0.181 175.795 176.094 -0.198 0.000 1.065 507 V CA 2.861 65.005 62.300 -0.259 0.000 1.039 507 V CB -1.662 29.915 31.823 -0.411 0.000 0.647 507 V HN 0.867 nan 8.190 nan 0.000 0.446 508 P HA -0.110 nan 4.420 nan 0.000 0.219 508 P C 1.607 178.846 177.300 -0.102 0.000 1.146 508 P CA 1.259 64.287 63.100 -0.120 0.000 0.808 508 P CB -0.163 31.489 31.700 -0.079 0.000 0.779 509 L N -1.085 120.077 121.223 -0.101 0.000 2.622 509 L HA -0.057 4.283 4.340 -0.001 0.000 0.233 509 L C 1.866 178.671 176.870 -0.109 0.000 1.156 509 L CA 0.895 55.681 54.840 -0.091 0.000 0.866 509 L CB -0.712 41.299 42.059 -0.079 0.000 0.980 509 L HN -0.042 nan 8.230 nan 0.000 0.448 510 Q N -0.826 118.896 119.800 -0.131 0.000 2.247 510 Q HA 0.215 4.554 4.340 -0.001 0.000 0.211 510 Q C 2.088 178.002 176.000 -0.144 0.000 0.861 510 Q CA 0.148 55.863 55.803 -0.147 0.000 0.949 510 Q CB 0.622 29.252 28.738 -0.180 0.000 1.115 510 Q HN 0.497 nan 8.270 nan 0.000 0.507 511 I N 0.397 120.889 120.570 -0.129 0.000 2.068 511 I HA -0.230 3.939 4.170 -0.001 0.000 0.238 511 I C 0.735 176.789 176.117 -0.104 0.000 1.046 511 I CA 1.189 62.430 61.300 -0.098 0.000 1.306 511 I CB -0.071 37.908 38.000 -0.034 0.000 1.023 511 I HN -0.104 nan 8.210 nan 0.000 0.399 512 V N 1.880 121.707 119.914 -0.146 0.000 2.455 512 V HA 0.125 4.244 4.120 -0.001 0.000 0.273 512 V C 0.248 176.259 176.094 -0.138 0.000 1.045 512 V CA -0.205 61.976 62.300 -0.198 0.000 0.976 512 V CB 0.844 32.484 31.823 -0.305 0.000 0.993 512 V HN 0.415 nan 8.190 nan 0.000 0.475 513 S N 6.970 122.618 115.700 -0.087 0.000 2.537 513 S HA 0.570 5.039 4.470 -0.001 0.000 0.301 513 S C -1.639 172.973 174.600 0.020 0.000 1.092 513 S CA -1.563 56.609 58.200 -0.047 0.000 1.048 513 S CB 2.247 65.418 63.200 -0.048 0.000 1.053 513 S HN 0.498 nan 8.310 nan 0.000 0.501 514 P HA -0.065 nan 4.420 nan 0.000 0.229 514 P C 1.401 178.833 177.300 0.221 0.000 1.160 514 P CA 0.709 63.904 63.100 0.159 0.000 0.777 514 P CB 0.024 31.838 31.700 0.189 0.000 0.814 515 Q N 1.062 120.904 119.800 0.070 0.000 2.062 515 Q HA -0.151 4.188 4.340 -0.001 0.000 0.209 515 Q C 0.941 176.987 176.000 0.077 0.000 0.996 515 Q CA 2.513 58.313 55.803 -0.004 0.000 0.859 515 Q CB -0.422 28.313 28.738 -0.005 0.000 0.920 515 Q HN 0.079 nan 8.270 nan 0.000 0.415 516 S N 0.540 116.308 115.700 0.113 0.000 2.855 516 S HA 0.131 4.600 4.470 -0.001 0.000 0.249 516 S C -0.779 174.016 174.600 0.325 0.000 1.033 516 S CA 0.061 58.367 58.200 0.176 0.000 1.038 516 S CB 0.111 63.451 63.200 0.234 0.000 0.960 516 S HN 0.744 nan 8.310 nan 0.000 0.548 517 N N 2.372 121.216 118.700 0.242 0.000 2.699 517 N HA -0.288 4.452 4.740 -0.001 0.000 0.256 517 N C -0.560 175.089 175.510 0.231 0.000 0.993 517 N CA 1.390 54.578 53.050 0.231 0.000 0.759 517 N CB -1.778 36.873 38.487 0.273 0.000 0.906 517 N HN 0.727 nan 8.380 nan 0.000 0.541 518 K N -4.367 116.113 120.400 0.133 0.000 2.658 518 K HA 0.582 4.901 4.320 -0.001 0.000 0.293 518 K C -3.411 173.167 176.600 -0.036 0.000 1.026 518 K CA -2.131 54.208 56.287 0.086 0.000 0.871 518 K CB 0.893 33.507 32.500 0.190 0.000 1.524 518 K HN -0.172 nan 8.250 nan 0.000 0.400 519 P HA -0.082 nan 4.420 nan 0.000 0.264 519 P C 0.421 177.727 177.300 0.010 0.000 1.179 519 P CA -0.309 62.763 63.100 -0.046 0.000 0.763 519 P CB 0.252 31.964 31.700 0.020 0.000 0.806 520 C N 1.593 120.891 119.300 -0.004 0.000 3.104 520 C HA 0.537 4.997 4.460 -0.001 0.000 0.284 520 C C 0.169 175.165 174.990 0.009 0.000 1.326 520 C CA -0.363 58.658 59.018 0.005 0.000 1.725 520 C CB -1.254 26.471 27.740 -0.025 0.000 2.156 520 C HN 0.365 nan 8.230 nan 0.000 0.638 521 M N 1.192 120.820 119.600 0.047 0.000 2.433 521 M HA 0.660 5.139 4.480 -0.001 0.000 0.290 521 M C -0.213 176.265 176.300 0.297 0.000 1.173 521 M CA 0.086 55.440 55.300 0.089 0.000 0.905 521 M CB 2.381 34.933 32.600 -0.082 0.000 1.692 521 M HN 0.351 nan 8.290 nan 0.000 0.462 522 G N 1.701 110.702 108.800 0.336 0.000 2.684 522 G HA2 0.645 4.604 3.960 -0.001 0.000 0.290 522 G HA3 0.645 4.604 3.960 -0.001 0.000 0.290 522 G C -1.168 173.915 174.900 0.305 0.000 1.425 522 G CA -0.780 44.502 45.100 0.304 0.000 0.822 522 G HN 0.527 nan 8.290 nan 0.000 0.482 523 I N 1.253 121.879 120.570 0.092 0.000 2.741 523 I HA 0.205 4.375 4.170 -0.001 0.000 0.288 523 I C 1.008 177.164 176.117 0.065 0.000 1.192 523 I CA 0.186 61.525 61.300 0.066 0.000 1.426 523 I CB 0.003 37.971 38.000 -0.052 0.000 1.367 523 I HN 0.414 nan 8.210 nan 0.000 0.563 524 V N 4.424 124.386 119.914 0.079 0.000 3.156 524 V HA 0.608 4.727 4.120 -0.001 0.000 0.311 524 V C 0.299 176.414 176.094 0.036 0.000 1.208 524 V CA -0.796 61.537 62.300 0.055 0.000 1.063 524 V CB 1.584 33.449 31.823 0.071 0.000 1.098 524 V HN 0.825 nan 8.190 nan 0.000 0.452 525 Q N -0.405 119.410 119.800 0.025 0.000 1.922 525 Q HA -0.342 3.997 4.340 -0.001 0.000 0.422 525 Q C 1.148 177.142 176.000 -0.010 0.000 0.813 525 Q CA 2.286 58.100 55.803 0.019 0.000 0.816 525 Q CB -1.447 27.321 28.738 0.049 0.000 3.720 525 Q HN 1.093 nan 8.270 nan 0.000 0.796 526 D N -0.302 120.100 120.400 0.002 0.000 2.157 526 D HA -0.134 4.505 4.640 -0.001 0.000 0.191 526 D C 1.880 178.158 176.300 -0.037 0.000 1.004 526 D CA 2.454 56.440 54.000 -0.023 0.000 0.854 526 D CB -0.362 40.445 40.800 0.012 0.000 0.936 526 D HN 0.527 nan 8.370 nan 0.000 0.446 527 T N 0.139 114.687 114.554 -0.008 0.000 2.867 527 T HA -0.114 4.235 4.350 -0.001 0.000 0.268 527 T C 1.775 176.450 174.700 -0.042 0.000 1.057 527 T CA 0.396 62.488 62.100 -0.013 0.000 1.136 527 T CB -0.171 68.702 68.868 0.009 0.000 0.874 527 T HN 0.037 nan 8.240 nan 0.000 0.466 528 L N 0.614 121.809 121.223 -0.047 0.000 2.072 528 L HA 0.111 4.450 4.340 -0.001 0.000 0.205 528 L C 2.641 179.448 176.870 -0.106 0.000 1.079 528 L CA 1.206 56.007 54.840 -0.065 0.000 0.752 528 L CB -1.064 40.969 42.059 -0.043 0.000 0.906 528 L HN 0.330 nan 8.230 nan 0.000 0.436 529 C N -0.269 118.941 119.300 -0.150 0.000 2.413 529 C HA -0.102 4.357 4.460 -0.001 0.000 0.277 529 C C 2.846 177.714 174.990 -0.204 0.000 1.228 529 C CA 1.062 59.918 59.018 -0.270 0.000 1.731 529 C CB -1.513 25.928 27.740 -0.498 0.000 2.042 529 C HN 0.709 nan 8.230 nan 0.000 0.468 530 G N -0.442 108.292 108.800 -0.110 0.000 2.432 530 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 530 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 530 G C 1.590 176.419 174.900 -0.118 0.000 1.135 530 G CA 0.919 46.034 45.100 0.026 0.000 0.767 530 G HN 0.630 nan 8.290 nan 0.000 0.550 531 I N -0.426 120.063 120.570 -0.134 0.000 2.353 531 I HA -0.029 4.140 4.170 -0.001 0.000 0.248 531 I C 2.824 178.816 176.117 -0.208 0.000 1.119 531 I CA 0.695 61.887 61.300 -0.181 0.000 1.417 531 I CB -0.072 37.850 38.000 -0.131 0.000 1.078 531 I HN 0.106 nan 8.210 nan 0.000 0.421 532 R N 0.996 121.401 120.500 -0.159 0.000 2.080 532 R HA -0.215 4.124 4.340 -0.001 0.000 0.236 532 R C 2.243 178.442 176.300 -0.168 0.000 1.137 532 R CA 1.794 57.812 56.100 -0.136 0.000 0.943 532 R CB -0.093 30.152 30.300 -0.092 0.000 0.846 532 R HN 0.330 nan 8.270 nan 0.000 0.431 533 K N 0.239 120.534 120.400 -0.174 0.000 2.097 533 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 533 K C 2.033 178.367 176.600 -0.444 0.000 1.050 533 K CA 0.899 57.099 56.287 -0.145 0.000 0.938 533 K CB -0.238 32.324 32.500 0.102 0.000 0.718 533 K HN 0.111 nan 8.250 nan 0.000 0.442 534 L N 1.561 122.293 121.223 -0.819 0.000 2.191 534 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 534 L C 1.838 178.348 176.870 -0.600 0.000 1.103 534 L CA 1.880 56.011 54.840 -1.182 0.000 0.769 534 L CB -0.485 40.901 42.059 -1.122 0.000 0.908 534 L HN 0.250 nan 8.230 nan 0.000 0.438 535 T N -3.955 110.370 114.554 -0.381 0.000 3.054 535 T HA 0.275 4.624 4.350 -0.001 0.000 0.255 535 T C 0.706 175.293 174.700 -0.188 0.000 1.035 535 T CA -0.471 61.476 62.100 -0.255 0.000 0.941 535 T CB -0.550 68.200 68.868 -0.197 0.000 1.026 535 T HN 0.138 nan 8.240 nan 0.000 0.533 536 L N 1.906 123.024 121.223 -0.175 0.000 2.506 536 L HA 0.233 4.572 4.340 -0.001 0.000 0.281 536 L C 2.040 178.813 176.870 -0.162 0.000 1.228 536 L CA -0.554 54.215 54.840 -0.119 0.000 0.850 536 L CB 0.459 42.476 42.059 -0.071 0.000 1.110 536 L HN 0.097 nan 8.230 nan 0.000 0.496 537 R N 0.994 121.424 120.500 -0.116 0.000 2.139 537 R HA -0.184 4.156 4.340 -0.001 0.000 0.243 537 R C 1.161 177.321 176.300 -0.234 0.000 1.145 537 R CA 1.471 57.485 56.100 -0.144 0.000 0.976 537 R CB -0.266 30.017 30.300 -0.028 0.000 0.866 537 R HN 0.690 nan 8.270 nan 0.000 0.449 538 D N 0.416 120.759 120.400 -0.095 0.000 2.219 538 D HA -0.052 4.587 4.640 -0.001 0.000 0.205 538 D C 0.165 176.428 176.300 -0.061 0.000 0.970 538 D CA 0.902 54.916 54.000 0.024 0.000 0.851 538 D CB -0.076 40.775 40.800 0.085 0.000 0.943 538 D HN 0.105 nan 8.370 nan 0.000 0.488 539 T N 1.300 115.721 114.554 -0.221 0.000 2.784 539 T HA 0.175 4.524 4.350 -0.001 0.000 0.291 539 T C -0.015 174.431 174.700 -0.424 0.000 0.942 539 T CA 0.182 62.188 62.100 -0.157 0.000 1.161 539 T CB -0.094 68.672 68.868 -0.170 0.000 0.885 539 T HN -0.158 nan 8.240 nan 0.000 0.534 540 F N 2.554 122.597 119.950 0.156 0.000 2.546 540 F HA 0.655 5.181 4.527 -0.001 0.000 0.320 540 F C -0.153 175.779 175.800 0.221 0.000 1.076 540 F CA -1.323 56.777 58.000 0.168 0.000 0.928 540 F CB 1.413 40.492 39.000 0.131 0.000 1.189 540 F HN 0.270 nan 8.300 nan 0.000 0.465 541 I N 1.311 122.155 120.570 0.456 0.000 2.509 541 I HA 0.271 4.441 4.170 -0.001 0.000 0.293 541 I C -0.255 176.104 176.117 0.404 0.000 1.020 541 I CA -0.824 60.699 61.300 0.372 0.000 1.088 541 I CB 1.741 39.916 38.000 0.292 0.000 1.267 541 I HN 0.515 nan 8.210 nan 0.000 0.430 542 E N 3.520 123.891 120.200 0.284 0.000 2.373 542 E HA 0.107 4.456 4.350 -0.001 0.000 0.263 542 E C 0.929 177.654 176.600 0.208 0.000 1.073 542 E CA -0.449 56.112 56.400 0.269 0.000 0.894 542 E CB 1.168 30.969 29.700 0.168 0.000 1.008 542 E HN 0.557 nan 8.360 nan 0.000 0.420 543 L N 3.699 125.098 121.223 0.293 0.000 2.021 543 L HA -0.289 4.050 4.340 -0.001 0.000 0.215 543 L C 1.894 178.735 176.870 -0.048 0.000 1.074 543 L CA 2.518 57.424 54.840 0.111 0.000 0.760 543 L CB -0.606 41.627 42.059 0.289 0.000 0.889 543 L HN 0.764 nan 8.230 nan 0.000 0.433 544 D N -1.219 119.199 120.400 0.029 0.000 2.117 544 D HA -0.309 4.330 4.640 -0.001 0.000 0.197 544 D C 1.944 178.240 176.300 -0.007 0.000 0.987 544 D CA 1.905 55.909 54.000 0.007 0.000 0.829 544 D CB -0.444 40.373 40.800 0.028 0.000 0.961 544 D HN 0.712 nan 8.370 nan 0.000 0.460 545 Q N 0.223 120.032 119.800 0.014 0.000 2.123 545 Q HA -0.059 4.280 4.340 -0.001 0.000 0.199 545 Q C 2.614 178.625 176.000 0.019 0.000 0.966 545 Q CA 0.589 56.423 55.803 0.052 0.000 0.845 545 Q CB 0.269 29.050 28.738 0.073 0.000 0.907 545 Q HN 0.184 nan 8.270 nan 0.000 0.439 546 V N 1.450 121.293 119.914 -0.118 0.000 2.287 546 V HA -0.319 3.800 4.120 -0.001 0.000 0.248 546 V C 2.341 178.254 176.094 -0.302 0.000 1.053 546 V CA 1.637 63.755 62.300 -0.304 0.000 1.027 546 V CB -0.592 30.762 31.823 -0.781 0.000 0.646 546 V HN 0.407 nan 8.190 nan 0.000 0.447 547 L N 0.025 121.090 121.223 -0.264 0.000 2.079 547 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 547 L C 2.452 179.200 176.870 -0.204 0.000 1.081 547 L CA 1.619 56.318 54.840 -0.234 0.000 0.752 547 L CB -0.914 41.057 42.059 -0.145 0.000 0.896 547 L HN 0.398 nan 8.230 nan 0.000 0.433 548 N N 0.048 118.683 118.700 -0.109 0.000 2.084 548 N HA -0.148 4.591 4.740 -0.001 0.000 0.190 548 N C 1.917 177.308 175.510 -0.197 0.000 1.030 548 N CA 1.431 54.418 53.050 -0.104 0.000 0.849 548 N CB -0.194 38.316 38.487 0.038 0.000 1.012 548 N HN 0.308 nan 8.380 nan 0.000 0.423 549 M N 0.122 119.641 119.600 -0.135 0.000 2.099 549 M HA -0.053 4.427 4.480 -0.001 0.000 0.262 549 M C 2.019 178.175 176.300 -0.240 0.000 1.067 549 M CA 1.006 56.240 55.300 -0.109 0.000 1.124 549 M CB -0.371 32.247 32.600 0.031 0.000 1.353 549 M HN 0.078 nan 8.290 nan 0.000 0.410 550 L N -0.985 119.979 121.223 -0.431 0.000 2.021 550 L HA -0.285 4.054 4.340 -0.001 0.000 0.215 550 L C 2.650 178.969 176.870 -0.918 0.000 1.074 550 L CA 1.658 55.964 54.840 -0.891 0.000 0.760 550 L CB -0.952 40.366 42.059 -1.235 0.000 0.889 550 L HN 0.287 nan 8.230 nan 0.000 0.433 551 Y N -1.115 118.734 120.300 -0.752 0.000 2.352 551 Y HA -0.226 4.323 4.550 -0.001 0.000 0.292 551 Y C 2.086 177.780 175.900 -0.343 0.000 1.136 551 Y CA 0.699 58.483 58.100 -0.526 0.000 1.227 551 Y CB -0.472 37.749 38.460 -0.398 0.000 0.991 551 Y HN 0.092 nan 8.280 nan 0.000 0.545 552 W N -0.130 120.874 121.300 -0.492 0.000 2.402 552 W HA -0.036 4.624 4.660 -0.001 0.000 0.286 552 W C 0.848 177.183 176.519 -0.308 0.000 1.221 552 W CA 1.264 58.337 57.345 -0.455 0.000 1.257 552 W CB -0.133 29.047 29.460 -0.466 0.000 1.120 552 W HN -0.165 nan 8.180 nan 0.000 0.551 553 V N 4.388 124.295 119.914 -0.012 0.000 2.415 553 V HA 0.071 4.190 4.120 -0.001 0.000 0.267 553 V C -1.004 175.120 176.094 0.051 0.000 1.042 553 V CA -1.582 60.737 62.300 0.032 0.000 1.000 553 V CB 1.008 32.849 31.823 0.030 0.000 1.015 553 V HN -0.126 nan 8.190 nan 0.000 0.478 554 P HA -0.020 nan 4.420 nan 0.000 0.221 554 P C 0.206 177.559 177.300 0.089 0.000 1.150 554 P CA 0.834 63.943 63.100 0.015 0.000 0.800 554 P CB 0.256 31.956 31.700 0.001 0.000 0.787 555 D N -0.353 120.115 120.400 0.113 0.000 3.110 555 D HA 0.132 4.771 4.640 -0.001 0.000 0.254 555 D C -0.638 175.776 176.300 0.189 0.000 1.283 555 D CA -0.168 53.900 54.000 0.114 0.000 0.944 555 D CB -0.753 40.092 40.800 0.074 0.000 1.066 555 D HN 0.178 nan 8.370 nan 0.000 0.496 556 W N 1.898 123.202 121.300 0.006 0.000 2.666 556 W HA 0.248 4.907 4.660 -0.001 0.000 0.334 556 W C 0.339 176.872 176.519 0.023 0.000 1.051 556 W CA -1.008 56.347 57.345 0.017 0.000 1.224 556 W CB 1.193 30.669 29.460 0.026 0.000 1.405 556 W HN -0.050 nan 8.180 nan 0.000 0.513 557 D N 2.362 122.389 120.400 -0.622 0.000 2.340 557 D HA 0.156 4.795 4.640 -0.001 0.000 0.217 557 D C 1.387 177.126 176.300 -0.934 0.000 1.081 557 D CA 0.412 54.067 54.000 -0.576 0.000 0.842 557 D CB 0.035 40.635 40.800 -0.333 0.000 0.934 557 D HN 0.877 nan 8.370 nan 0.000 0.511 558 G N 0.179 107.722 108.800 -2.095 0.000 2.162 558 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.260 558 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.260 558 G C 0.074 174.402 174.900 -0.955 0.000 0.976 558 G CA 0.230 44.176 45.100 -1.924 0.000 0.655 558 G HN 0.367 nan 8.290 nan 0.000 0.533 559 V N 2.398 121.894 119.914 -0.696 0.000 2.328 559 V HA 0.417 4.537 4.120 -0.001 0.000 0.278 559 V C 0.928 177.142 176.094 0.201 0.000 1.021 559 V CA -0.781 61.439 62.300 -0.133 0.000 0.838 559 V CB 1.323 33.079 31.823 -0.111 0.000 0.999 559 V HN 0.322 nan 8.190 nan 0.000 0.447 560 I N 8.478 129.217 120.570 0.281 0.000 2.494 560 I HA 0.168 4.337 4.170 -0.001 0.000 0.289 560 I C -1.597 174.718 176.117 0.331 0.000 1.106 560 I CA -1.375 60.137 61.300 0.353 0.000 1.369 560 I CB 0.427 38.604 38.000 0.294 0.000 1.410 560 I HN 0.405 nan 8.210 nan 0.000 0.523 561 P HA -0.010 nan 4.420 nan 0.000 0.264 561 P C -0.089 177.504 177.300 0.488 0.000 1.183 561 P CA -0.020 63.296 63.100 0.360 0.000 0.763 561 P CB 0.235 32.151 31.700 0.359 0.000 0.807 562 T N 6.163 120.882 114.554 0.274 0.000 2.902 562 T HA 0.130 4.479 4.350 -0.001 0.000 0.301 562 T C -1.917 172.756 174.700 -0.044 0.000 1.012 562 T CA -0.489 61.695 62.100 0.140 0.000 1.151 562 T CB -0.522 68.378 68.868 0.054 0.000 0.946 562 T HN 0.398 nan 8.240 nan 0.000 0.542 563 P HA 0.097 nan 4.420 nan 0.000 0.265 563 P C 0.494 177.529 177.300 -0.442 0.000 1.193 563 P CA -0.144 62.279 63.100 -1.128 0.000 0.765 563 P CB 0.534 31.330 31.700 -1.506 0.000 0.823 564 A N 4.609 127.272 122.820 -0.261 0.000 2.032 564 A HA -0.100 4.220 4.320 -0.001 0.000 0.221 564 A C 1.207 178.741 177.584 -0.084 0.000 1.165 564 A CA 1.206 53.200 52.037 -0.071 0.000 0.645 564 A CB -0.676 18.361 19.000 0.062 0.000 0.807 564 A HN 0.590 nan 8.150 nan 0.000 0.453 565 I N 0.669 121.141 120.570 -0.162 0.000 2.410 565 I HA 0.202 4.372 4.170 -0.001 0.000 0.286 565 I C 0.470 176.455 176.117 -0.220 0.000 1.009 565 I CA -0.564 60.642 61.300 -0.156 0.000 1.111 565 I CB 1.702 39.609 38.000 -0.154 0.000 1.262 565 I HN 0.103 nan 8.210 nan 0.000 0.443 566 I N 2.825 123.296 120.570 -0.164 0.000 2.494 566 I HA 0.166 4.335 4.170 -0.001 0.000 0.250 566 I C 0.693 176.745 176.117 -0.108 0.000 1.112 566 I CA 1.009 62.219 61.300 -0.150 0.000 1.438 566 I CB -0.717 37.220 38.000 -0.105 0.000 1.111 566 I HN 0.421 nan 8.210 nan 0.000 0.431 567 K N 1.194 121.541 120.400 -0.088 0.000 2.469 567 K HA 0.451 4.770 4.320 -0.001 0.000 0.254 567 K C -1.857 174.699 176.600 -0.074 0.000 0.939 567 K CA -1.876 54.370 56.287 -0.070 0.000 0.812 567 K CB 1.570 34.040 32.500 -0.049 0.000 1.301 567 K HN -0.200 nan 8.250 nan 0.000 0.433 568 P HA 0.025 nan 4.420 nan 0.000 0.237 568 P C -0.818 176.452 177.300 -0.050 0.000 1.178 568 P CA 0.503 63.571 63.100 -0.053 0.000 0.766 568 P CB 0.553 32.223 31.700 -0.050 0.000 0.876 569 K N 0.678 121.038 120.400 -0.066 0.000 2.557 569 K HA 0.330 4.649 4.320 -0.001 0.000 0.257 569 K C -3.173 173.380 176.600 -0.078 0.000 0.933 569 K CA -1.903 54.354 56.287 -0.049 0.000 0.820 569 K CB 2.496 34.977 32.500 -0.032 0.000 1.330 569 K HN -0.301 nan 8.250 nan 0.000 0.432 570 P HA 0.109 nan 4.420 nan 0.000 0.270 570 P C -1.230 175.979 177.300 -0.151 0.000 1.242 570 P CA -0.299 62.693 63.100 -0.180 0.000 0.768 570 P CB 0.613 32.246 31.700 -0.112 0.000 0.820 571 L N 4.988 126.047 121.223 -0.273 0.000 2.445 571 L HA 0.585 4.925 4.340 -0.001 0.000 0.262 571 L C -1.190 175.667 176.870 -0.021 0.000 0.974 571 L CA -0.526 54.315 54.840 0.002 0.000 0.822 571 L CB 1.920 43.965 42.059 -0.022 0.000 1.339 571 L HN 0.408 nan 8.230 nan 0.000 0.409 572 W N 2.257 123.703 121.300 0.243 0.000 2.666 572 W HA 0.462 5.122 4.660 -0.001 0.000 0.334 572 W C 0.097 176.737 176.519 0.201 0.000 1.051 572 W CA -0.718 56.748 57.345 0.201 0.000 1.224 572 W CB 2.355 31.893 29.460 0.130 0.000 1.405 572 W HN 0.389 nan 8.180 nan 0.000 0.513 573 S N 0.784 116.666 115.700 0.304 0.000 2.585 573 S HA 0.234 4.703 4.470 -0.001 0.000 0.273 573 S C 1.336 175.922 174.600 -0.022 0.000 1.339 573 S CA 0.543 58.743 58.200 0.001 0.000 1.028 573 S CB 1.177 64.367 63.200 -0.017 0.000 0.906 573 S HN 0.657 nan 8.310 nan 0.000 0.528 574 G N 3.106 111.794 108.800 -0.186 0.000 2.469 574 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.219 574 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.219 574 G C 1.349 176.153 174.900 -0.161 0.000 1.150 574 G CA 0.945 45.914 45.100 -0.219 0.000 0.763 574 G HN 0.749 nan 8.290 nan 0.000 0.561 575 K N -0.129 120.193 120.400 -0.130 0.000 2.057 575 K HA -0.073 4.246 4.320 -0.001 0.000 0.207 575 K C 2.710 179.295 176.600 -0.024 0.000 1.049 575 K CA 1.266 57.504 56.287 -0.082 0.000 0.931 575 K CB -0.189 32.273 32.500 -0.064 0.000 0.714 575 K HN 0.320 nan 8.250 nan 0.000 0.440 576 Q N 0.099 119.919 119.800 0.033 0.000 2.197 576 Q HA -0.168 4.172 4.340 -0.001 0.000 0.207 576 Q C 1.852 177.904 176.000 0.087 0.000 0.984 576 Q CA 1.372 57.239 55.803 0.106 0.000 0.869 576 Q CB 0.007 28.888 28.738 0.238 0.000 0.906 576 Q HN 0.379 nan 8.270 nan 0.000 0.426 577 I N -1.158 119.432 120.570 0.034 0.000 2.729 577 I HA -0.146 4.023 4.170 -0.001 0.000 0.256 577 I C 1.857 177.956 176.117 -0.029 0.000 1.115 577 I CA -0.037 61.261 61.300 -0.003 0.000 1.446 577 I CB -0.096 37.885 38.000 -0.032 0.000 1.176 577 I HN 0.144 nan 8.210 nan 0.000 0.446 578 L N 0.973 122.160 121.223 -0.061 0.000 2.034 578 L HA -0.287 4.052 4.340 -0.001 0.000 0.217 578 L C 2.501 179.347 176.870 -0.040 0.000 1.077 578 L CA 1.966 56.763 54.840 -0.072 0.000 0.769 578 L CB -0.872 41.119 42.059 -0.112 0.000 0.890 578 L HN 0.135 nan 8.230 nan 0.000 0.435 579 S N -1.215 114.473 115.700 -0.021 0.000 2.402 579 S HA -0.176 4.294 4.470 -0.001 0.000 0.233 579 S C 1.947 176.563 174.600 0.026 0.000 1.030 579 S CA 1.325 59.525 58.200 -0.001 0.000 1.003 579 S CB -0.499 62.712 63.200 0.020 0.000 0.813 579 S HN 0.420 nan 8.310 nan 0.000 0.477 580 V N 1.584 121.525 119.914 0.045 0.000 2.594 580 V HA -0.177 3.943 4.120 -0.001 0.000 0.253 580 V C 2.429 178.566 176.094 0.072 0.000 1.069 580 V CA 1.561 63.916 62.300 0.092 0.000 1.082 580 V CB -1.147 30.736 31.823 0.099 0.000 0.680 580 V HN 0.557 nan 8.190 nan 0.000 0.469 581 A N -0.538 122.297 122.820 0.025 0.000 2.119 581 A HA 0.202 4.521 4.320 -0.001 0.000 0.216 581 A C 1.072 178.657 177.584 0.001 0.000 1.152 581 A CA 0.341 52.387 52.037 0.014 0.000 0.708 581 A CB -0.315 18.676 19.000 -0.014 0.000 0.805 581 A HN 0.514 nan 8.150 nan 0.000 0.460 582 I N 2.242 122.808 120.570 -0.008 0.000 2.371 582 I HA 0.222 4.392 4.170 -0.001 0.000 0.290 582 I C -2.098 174.014 176.117 -0.009 0.000 1.028 582 I CA -2.235 59.051 61.300 -0.024 0.000 1.345 582 I CB 1.394 39.370 38.000 -0.040 0.000 1.407 582 I HN 0.098 nan 8.210 nan 0.000 0.501 583 P HA 0.125 nan 4.420 nan 0.000 0.275 583 P C -0.879 176.402 177.300 -0.032 0.000 1.228 583 P CA -0.492 62.601 63.100 -0.012 0.000 0.786 583 P CB 0.532 32.224 31.700 -0.013 0.000 0.927 584 N N 0.803 119.490 118.700 -0.021 0.000 2.345 584 N HA 0.181 4.921 4.740 -0.001 0.000 0.243 584 N C 1.613 177.076 175.510 -0.079 0.000 1.246 584 N CA 1.835 54.864 53.050 -0.034 0.000 0.863 584 N CB -0.553 37.926 38.487 -0.012 0.000 1.096 584 N HN 0.777 nan 8.380 nan 0.000 0.446 585 G N 0.102 108.825 108.800 -0.129 0.000 2.143 585 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.249 585 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.249 585 G C -0.194 174.408 174.900 -0.496 0.000 0.981 585 G CA -0.249 44.702 45.100 -0.248 0.000 0.665 585 G HN 0.452 nan 8.290 nan 0.000 0.528 586 I N 2.130 122.455 120.570 -0.408 0.000 2.342 586 I HA 0.445 4.615 4.170 -0.001 0.000 0.291 586 I C 0.100 175.967 176.117 -0.417 0.000 1.010 586 I CA -1.031 60.053 61.300 -0.360 0.000 1.308 586 I CB 0.782 38.690 38.000 -0.153 0.000 1.400 586 I HN 0.094 nan 8.210 nan 0.000 0.488 587 H N 6.529 125.598 119.070 -0.001 0.000 2.529 587 H HA 0.713 5.268 4.556 -0.001 0.000 0.348 587 H C -0.873 174.445 175.328 -0.016 0.000 1.079 587 H CA -0.787 55.256 56.048 -0.008 0.000 1.198 587 H CB 2.818 32.585 29.762 0.008 0.000 1.521 587 H HN 0.428 nan 8.280 nan 0.000 0.514 588 L N 1.669 122.938 121.223 0.077 0.000 2.518 588 L HA 0.405 4.744 4.340 -0.001 0.000 0.257 588 L C -1.601 175.256 176.870 -0.022 0.000 0.980 588 L CA -0.338 54.512 54.840 0.017 0.000 0.837 588 L CB 2.426 44.470 42.059 -0.025 0.000 1.410 588 L HN 0.570 nan 8.230 nan 0.000 0.410 589 Q N 4.002 123.798 119.800 -0.006 0.000 2.334 589 Q HA 0.439 4.779 4.340 -0.001 0.000 0.249 589 Q C -1.630 174.412 176.000 0.070 0.000 0.909 589 Q CA -0.485 55.335 55.803 0.028 0.000 0.823 589 Q CB 2.778 31.593 28.738 0.128 0.000 1.353 589 Q HN 0.741 nan 8.270 nan 0.000 0.433 590 R N 2.250 122.743 120.500 -0.012 0.000 2.725 590 R HA 0.647 4.986 4.340 -0.001 0.000 0.277 590 R C -1.617 174.676 176.300 -0.011 0.000 0.987 590 R CA -0.472 55.672 56.100 0.074 0.000 0.901 590 R CB 1.368 31.671 30.300 0.004 0.000 1.207 590 R HN 0.365 nan 8.270 nan 0.000 0.463 591 F N 2.460 122.431 119.950 0.034 0.000 2.500 591 F HA 0.318 4.844 4.527 -0.001 0.000 0.349 591 F C 0.037 175.859 175.800 0.036 0.000 1.127 591 F CA -0.652 57.384 58.000 0.059 0.000 0.998 591 F CB 1.485 40.518 39.000 0.056 0.000 1.237 591 F HN 0.354 nan 8.300 nan 0.000 0.439 592 D N 1.533 122.004 120.400 0.119 0.000 2.447 592 D HA 0.049 4.688 4.640 -0.001 0.000 0.265 592 D C 0.286 176.644 176.300 0.096 0.000 1.250 592 D CA -0.292 53.756 54.000 0.081 0.000 1.046 592 D CB 0.633 41.456 40.800 0.038 0.000 1.095 592 D HN 0.363 nan 8.370 nan 0.000 0.555 593 E N -0.080 120.155 120.200 0.060 0.000 2.765 593 E HA -0.033 4.316 4.350 -0.001 0.000 0.256 593 E C 0.734 177.369 176.600 0.060 0.000 0.935 593 E CA 0.607 57.038 56.400 0.052 0.000 0.954 593 E CB 0.238 29.954 29.700 0.028 0.000 0.908 593 E HN 0.695 nan 8.360 nan 0.000 0.500 594 G N 3.989 112.830 108.800 0.069 0.000 2.337 594 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.290 594 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.290 594 G C 0.418 175.361 174.900 0.071 0.000 1.003 594 G CA 0.998 46.136 45.100 0.064 0.000 0.825 594 G HN 0.509 nan 8.290 nan 0.000 0.509 595 T N 1.172 115.796 114.554 0.117 0.000 2.870 595 T HA 0.487 4.836 4.350 -0.001 0.000 0.300 595 T C 0.779 175.580 174.700 0.169 0.000 0.989 595 T CA 0.779 62.926 62.100 0.078 0.000 1.139 595 T CB 1.328 70.204 68.868 0.013 0.000 0.920 595 T HN 0.296 nan 8.240 nan 0.000 0.537 596 T N 2.523 117.093 114.554 0.027 0.000 2.905 596 T HA 0.341 4.691 4.350 -0.001 0.000 0.283 596 T C 1.051 175.755 174.700 0.007 0.000 1.031 596 T CA -0.855 61.298 62.100 0.088 0.000 1.002 596 T CB 1.116 69.984 68.868 -0.001 0.000 1.200 596 T HN 0.255 nan 8.240 nan 0.000 0.560 597 L N 0.554 121.832 121.223 0.091 0.000 2.633 597 L HA 0.272 4.612 4.340 -0.001 0.000 0.235 597 L C 0.989 177.740 176.870 -0.198 0.000 1.163 597 L CA 1.354 56.222 54.840 0.046 0.000 0.859 597 L CB -0.720 41.415 42.059 0.127 0.000 0.973 597 L HN 0.494 nan 8.230 nan 0.000 0.451 598 L N -1.255 119.814 121.223 -0.256 0.000 3.229 598 L HA 0.187 4.527 4.340 -0.001 0.000 0.286 598 L C 0.830 177.472 176.870 -0.381 0.000 1.239 598 L CA -0.194 54.466 54.840 -0.299 0.000 1.035 598 L CB 0.122 42.095 42.059 -0.144 0.000 1.408 598 L HN 0.164 nan 8.230 nan 0.000 0.593 599 S N 0.419 115.794 115.700 -0.542 0.000 3.975 599 S HA -0.129 4.340 4.470 -0.001 0.000 0.278 599 S C -1.123 173.336 174.600 -0.234 0.000 0.453 599 S CA -0.509 57.458 58.200 -0.388 0.000 1.501 599 S CB -0.846 62.060 63.200 -0.491 0.000 1.534 599 S HN 0.259 nan 8.310 nan 0.000 0.366 600 P HA -0.219 nan 4.420 nan 0.000 0.217 600 P C 1.060 178.318 177.300 -0.071 0.000 1.158 600 P CA 1.787 64.834 63.100 -0.088 0.000 0.887 600 P CB 0.010 31.678 31.700 -0.054 0.000 0.792 601 K N -1.479 118.885 120.400 -0.060 0.000 2.305 601 K HA -0.056 4.264 4.320 -0.001 0.000 0.199 601 K C 0.907 177.490 176.600 -0.029 0.000 1.047 601 K CA 0.797 57.064 56.287 -0.034 0.000 0.976 601 K CB -0.390 32.099 32.500 -0.018 0.000 0.765 601 K HN 0.026 nan 8.250 nan 0.000 0.474 602 D N 1.266 121.639 120.400 -0.045 0.000 3.076 602 D HA -0.242 4.397 4.640 -0.001 0.000 0.218 602 D C -0.894 175.433 176.300 0.044 0.000 1.156 602 D CA 0.827 54.828 54.000 0.002 0.000 0.921 602 D CB -1.403 39.393 40.800 -0.006 0.000 1.113 602 D HN 0.423 nan 8.370 nan 0.000 0.418 603 N N -0.733 117.983 118.700 0.028 0.000 3.678 603 N HA -0.093 4.646 4.740 -0.001 0.000 0.301 603 N C 0.579 176.138 175.510 0.082 0.000 1.992 603 N CA 2.562 55.629 53.050 0.030 0.000 2.672 603 N CB -0.753 37.736 38.487 0.003 0.000 0.578 603 N HN 1.514 nan 8.380 nan 0.000 0.737 604 G N 2.040 110.863 108.800 0.038 0.000 2.642 604 G HA2 0.035 3.994 3.960 -0.001 0.000 0.231 604 G HA3 0.035 3.994 3.960 -0.001 0.000 0.231 604 G C -0.579 174.277 174.900 -0.074 0.000 1.338 604 G CA 0.471 45.571 45.100 -0.000 0.000 0.883 604 G HN 1.366 nan 8.290 nan 0.000 0.570 605 M N -0.807 118.622 119.600 -0.285 0.000 2.323 605 M HA 0.688 5.167 4.480 -0.001 0.000 0.278 605 M C -1.788 174.098 176.300 -0.690 0.000 1.069 605 M CA -0.411 54.618 55.300 -0.451 0.000 0.950 605 M CB 1.550 34.009 32.600 -0.234 0.000 1.879 605 M HN 1.271 nan 8.290 nan 0.000 0.491 606 L N 6.053 126.695 121.223 -0.968 0.000 2.406 606 L HA 0.769 5.108 4.340 -0.001 0.000 0.272 606 L C -1.746 174.895 176.870 -0.383 0.000 0.980 606 L CA -0.456 53.965 54.840 -0.700 0.000 0.831 606 L CB 1.120 42.608 42.059 -0.953 0.000 1.253 606 L HN 0.817 nan 8.230 nan 0.000 0.406 607 I N 5.812 126.267 120.570 -0.192 0.000 2.433 607 I HA 0.469 4.639 4.170 -0.001 0.000 0.292 607 I C -0.743 175.383 176.117 0.015 0.000 1.001 607 I CA -0.550 60.695 61.300 -0.091 0.000 1.119 607 I CB 2.184 40.139 38.000 -0.074 0.000 1.289 607 I HN 0.500 nan 8.210 nan 0.000 0.438 608 I N 4.679 125.280 120.570 0.053 0.000 2.533 608 I HA 0.227 4.396 4.170 -0.001 0.000 0.290 608 I C -0.270 175.952 176.117 0.174 0.000 1.056 608 I CA -0.345 61.059 61.300 0.174 0.000 1.057 608 I CB 1.832 39.880 38.000 0.081 0.000 1.240 608 I HN 0.605 nan 8.210 nan 0.000 0.423 609 D N 5.352 125.930 120.400 0.295 0.000 2.692 609 D HA -0.192 4.447 4.640 -0.001 0.000 0.233 609 D C 1.026 177.334 176.300 0.013 0.000 1.172 609 D CA 1.546 55.612 54.000 0.110 0.000 0.636 609 D CB -0.664 40.221 40.800 0.143 0.000 1.028 609 D HN 1.082 nan 8.370 nan 0.000 0.419 610 G N 0.482 109.259 108.800 -0.038 0.000 2.356 610 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.296 610 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.296 610 G C -0.175 174.723 174.900 -0.004 0.000 1.022 610 G CA 0.661 45.740 45.100 -0.034 0.000 0.961 610 G HN 0.483 nan 8.290 nan 0.000 0.510 611 Q N -0.826 118.978 119.800 0.005 0.000 2.274 611 Q HA 0.415 4.754 4.340 -0.001 0.000 0.268 611 Q C 0.234 176.226 176.000 -0.014 0.000 1.015 611 Q CA -0.740 55.069 55.803 0.011 0.000 0.775 611 Q CB 1.846 30.604 28.738 0.034 0.000 1.256 611 Q HN 0.408 nan 8.270 nan 0.000 0.442 612 I N 3.470 124.022 120.570 -0.030 0.000 2.494 612 I HA -0.058 4.111 4.170 -0.001 0.000 0.289 612 I C 1.186 177.273 176.117 -0.050 0.000 1.106 612 I CA 0.013 61.272 61.300 -0.069 0.000 1.369 612 I CB 0.380 38.334 38.000 -0.077 0.000 1.410 612 I HN 0.563 nan 8.210 nan 0.000 0.523 613 I N 7.691 128.206 120.570 -0.090 0.000 2.480 613 I HA 0.020 4.189 4.170 -0.001 0.000 0.251 613 I C 0.263 176.437 176.117 0.095 0.000 1.124 613 I CA 1.197 62.492 61.300 -0.009 0.000 1.444 613 I CB -0.169 37.827 38.000 -0.007 0.000 1.098 613 I HN 0.591 nan 8.210 nan 0.000 0.428 614 F N -1.838 118.076 119.950 -0.060 0.000 2.858 614 F HA 0.658 5.184 4.527 -0.001 0.000 0.319 614 F C -0.266 175.476 175.800 -0.096 0.000 1.166 614 F CA -0.941 57.013 58.000 -0.077 0.000 0.899 614 F CB 0.334 39.286 39.000 -0.080 0.000 1.332 614 F HN 0.032 nan 8.300 nan 0.000 0.461 615 G N 0.711 109.681 108.800 0.284 0.000 3.055 615 G HA2 0.294 4.253 3.960 -0.001 0.000 0.686 615 G HA3 0.294 4.253 3.960 -0.001 0.000 0.686 615 G C -1.398 173.498 174.900 -0.006 0.000 1.087 615 G CA -0.681 44.486 45.100 0.111 0.000 0.779 615 G HN 1.523 nan 8.290 nan 0.000 0.599 616 V N 2.231 122.137 119.914 -0.014 0.000 2.479 616 V HA 0.316 4.435 4.120 -0.001 0.000 0.281 616 V C 1.421 177.472 176.094 -0.072 0.000 1.031 616 V CA -0.621 61.647 62.300 -0.054 0.000 1.038 616 V CB 1.132 32.928 31.823 -0.045 0.000 0.981 616 V HN 0.878 nan 8.190 nan 0.000 0.478 617 V N 6.232 126.088 119.914 -0.097 0.000 2.485 617 V HA 0.296 4.415 4.120 -0.001 0.000 0.287 617 V C 0.447 176.486 176.094 -0.092 0.000 1.022 617 V CA 0.417 62.656 62.300 -0.101 0.000 1.067 617 V CB 0.374 32.127 31.823 -0.118 0.000 0.967 617 V HN 1.151 nan 8.190 nan 0.000 0.479 618 E N 4.713 124.869 120.200 -0.075 0.000 2.310 618 E HA 0.261 4.610 4.350 -0.001 0.000 0.243 618 E C 0.743 177.313 176.600 -0.049 0.000 1.027 618 E CA -0.745 55.618 56.400 -0.062 0.000 0.887 618 E CB 0.676 30.346 29.700 -0.049 0.000 1.828 618 E HN 0.137 nan 8.360 nan 0.000 0.456 619 K N 0.192 120.572 120.400 -0.034 0.000 2.152 619 K HA -0.068 4.252 4.320 -0.001 0.000 0.206 619 K C 1.252 177.841 176.600 -0.018 0.000 1.048 619 K CA 1.599 57.873 56.287 -0.022 0.000 0.933 619 K CB -0.093 32.402 32.500 -0.009 0.000 0.721 619 K HN 0.314 nan 8.250 nan 0.000 0.447 620 K N -0.568 119.820 120.400 -0.021 0.000 2.505 620 K HA 0.015 4.334 4.320 -0.001 0.000 0.192 620 K C 0.704 177.286 176.600 -0.030 0.000 1.025 620 K CA 0.725 57.001 56.287 -0.019 0.000 1.086 620 K CB 0.546 33.036 32.500 -0.016 0.000 0.840 620 K HN 0.084 nan 8.250 nan 0.000 0.514 621 T N -1.019 113.509 114.554 -0.044 0.000 2.958 621 T HA 0.094 4.443 4.350 -0.001 0.000 0.256 621 T C 1.051 175.709 174.700 -0.069 0.000 0.983 621 T CA -0.073 61.991 62.100 -0.059 0.000 0.924 621 T CB 0.829 69.650 68.868 -0.079 0.000 1.136 621 T HN -0.039 nan 8.240 nan 0.000 0.506 622 V N 0.383 120.257 119.914 -0.067 0.000 3.523 622 V HA 0.393 4.512 4.120 -0.001 0.000 0.273 622 V C 1.225 177.273 176.094 -0.077 0.000 1.675 622 V CA 0.296 62.537 62.300 -0.098 0.000 1.079 622 V CB 0.695 32.450 31.823 -0.113 0.000 0.901 622 V HN 0.473 nan 8.190 nan 0.000 0.406 623 G N 0.576 109.357 108.800 -0.033 0.000 2.489 623 G HA2 0.291 4.251 3.960 -0.001 0.000 0.271 623 G HA3 0.291 4.251 3.960 -0.001 0.000 0.271 623 G C 0.499 175.415 174.900 0.026 0.000 1.427 623 G CA 0.543 45.646 45.100 0.005 0.000 1.057 623 G HN 0.680 nan 8.290 nan 0.000 0.532 624 S N -1.031 114.701 115.700 0.052 0.000 3.208 624 S HA 0.313 4.782 4.470 -0.001 0.000 0.195 624 S C 1.202 175.844 174.600 0.070 0.000 1.394 624 S CA 0.297 58.540 58.200 0.072 0.000 1.127 624 S CB 0.482 63.730 63.200 0.080 0.000 1.282 624 S HN 0.771 nan 8.310 nan 0.000 0.513 625 S N 1.869 117.610 115.700 0.068 0.000 2.398 625 S HA 0.206 4.676 4.470 -0.001 0.000 0.220 625 S C 1.022 175.664 174.600 0.071 0.000 1.046 625 S CA 0.803 59.035 58.200 0.055 0.000 0.953 625 S CB -0.480 62.736 63.200 0.026 0.000 0.856 625 S HN 0.697 nan 8.310 nan 0.000 0.506 626 N N -1.105 117.663 118.700 0.114 0.000 2.626 626 N HA 0.414 5.154 4.740 -0.001 0.000 0.382 626 N C 0.136 175.658 175.510 0.019 0.000 0.708 626 N CA 0.552 53.640 53.050 0.064 0.000 1.857 626 N CB 0.122 38.609 38.487 -0.000 0.000 0.834 626 N HN 0.657 nan 8.380 nan 0.000 1.872 627 G N -1.040 107.700 108.800 -0.101 0.000 2.491 627 G HA2 0.487 4.447 3.960 -0.001 0.000 0.183 627 G HA3 0.487 4.447 3.960 -0.001 0.000 0.183 627 G C -1.090 173.784 174.900 -0.042 0.000 1.221 627 G CA 0.200 45.287 45.100 -0.022 0.000 0.996 627 G HN 1.359 nan 8.290 nan 0.000 0.474 628 G N -1.754 107.043 108.800 -0.004 0.000 2.634 628 G HA2 0.428 4.387 3.960 -0.001 0.000 0.568 628 G HA3 0.428 4.387 3.960 -0.001 0.000 0.568 628 G C 0.317 175.228 174.900 0.019 0.000 1.495 628 G CA 0.253 45.364 45.100 0.017 0.000 0.903 628 G HN 1.854 nan 8.290 nan 0.000 0.646 629 L N 2.496 123.703 121.223 -0.027 0.000 2.131 629 L HA 0.164 4.503 4.340 -0.001 0.000 0.210 629 L C 2.484 179.328 176.870 -0.042 0.000 1.092 629 L CA 2.162 56.974 54.840 -0.047 0.000 0.759 629 L CB -0.364 41.642 42.059 -0.088 0.000 0.903 629 L HN 0.711 nan 8.230 nan 0.000 0.435 630 I N -1.451 119.089 120.570 -0.050 0.000 2.233 630 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 630 I C 2.371 178.516 176.117 0.047 0.000 1.093 630 I CA 1.300 62.569 61.300 -0.051 0.000 1.380 630 I CB -0.383 37.567 38.000 -0.084 0.000 1.067 630 I HN 0.358 nan 8.210 nan 0.000 0.413 631 H N 0.155 119.223 119.070 -0.005 0.000 2.289 631 H HA -0.209 4.346 4.556 -0.001 0.000 0.296 631 H C 2.343 177.670 175.328 -0.001 0.000 1.091 631 H CA 2.223 58.273 56.048 0.004 0.000 1.274 631 H CB 0.134 29.900 29.762 0.008 0.000 1.364 631 H HN 0.026 nan 8.280 nan 0.000 0.490 632 V N -0.308 119.707 119.914 0.169 0.000 2.295 632 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 632 V C 2.438 178.566 176.094 0.058 0.000 1.049 632 V CA 1.672 64.025 62.300 0.088 0.000 1.024 632 V CB -0.364 31.479 31.823 0.033 0.000 0.648 632 V HN 0.337 nan 8.190 nan 0.000 0.447 633 V N -0.758 119.172 119.914 0.028 0.000 2.295 633 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 633 V C 2.502 178.611 176.094 0.025 0.000 1.049 633 V CA 2.505 64.811 62.300 0.008 0.000 1.024 633 V CB -1.257 30.556 31.823 -0.016 0.000 0.648 633 V HN 0.579 nan 8.190 nan 0.000 0.447 634 T N -0.070 114.503 114.554 0.032 0.000 2.592 634 T HA -0.286 4.063 4.350 -0.001 0.000 0.267 634 T C 2.142 176.858 174.700 0.026 0.000 1.060 634 T CA 1.979 64.091 62.100 0.020 0.000 1.167 634 T CB -0.303 68.557 68.868 -0.013 0.000 0.863 634 T HN 0.284 nan 8.240 nan 0.000 0.431 635 R N 0.764 121.297 120.500 0.056 0.000 2.092 635 R HA 0.009 4.349 4.340 -0.001 0.000 0.231 635 R C 2.356 178.692 176.300 0.060 0.000 1.119 635 R CA 0.965 57.105 56.100 0.067 0.000 0.970 635 R CB -0.312 30.058 30.300 0.117 0.000 0.864 635 R HN 0.555 nan 8.270 nan 0.000 0.440 636 E N 0.125 120.357 120.200 0.053 0.000 2.230 636 E HA -0.036 4.314 4.350 -0.001 0.000 0.192 636 E C 1.268 177.889 176.600 0.036 0.000 0.987 636 E CA 0.663 57.092 56.400 0.048 0.000 0.841 636 E CB 0.278 29.998 29.700 0.033 0.000 0.783 636 E HN 0.125 nan 8.360 nan 0.000 0.481 637 K N -0.478 119.938 120.400 0.026 0.000 2.491 637 K HA 0.236 4.555 4.320 -0.001 0.000 0.211 637 K C 0.618 177.230 176.600 0.020 0.000 1.210 637 K CA 0.604 56.902 56.287 0.019 0.000 1.003 637 K CB 2.083 34.589 32.500 0.009 0.000 1.009 637 K HN 0.145 nan 8.250 nan 0.000 0.577 638 G N 2.056 110.869 108.800 0.020 0.000 2.662 638 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.686 638 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.686 638 G C -2.575 172.331 174.900 0.011 0.000 1.271 638 G CA -0.713 44.396 45.100 0.015 0.000 0.816 638 G HN -0.190 nan 8.290 nan 0.000 0.608 639 P HA -0.099 nan 4.420 nan 0.000 0.215 639 P C 1.994 179.298 177.300 0.006 0.000 1.157 639 P CA 1.774 64.871 63.100 -0.005 0.000 0.863 639 P CB 0.092 31.776 31.700 -0.027 0.000 0.787 640 Q N -0.345 119.455 119.800 0.001 0.000 2.014 640 Q HA -0.127 4.213 4.340 -0.001 0.000 0.207 640 Q C 2.240 178.254 176.000 0.024 0.000 0.993 640 Q CA 1.476 57.282 55.803 0.006 0.000 0.850 640 Q CB -1.568 27.170 28.738 -0.000 0.000 0.916 640 Q HN 0.140 nan 8.270 nan 0.000 0.417 641 V N 1.080 121.008 119.914 0.024 0.000 2.282 641 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 641 V C 2.641 178.763 176.094 0.046 0.000 1.057 641 V CA 1.842 64.160 62.300 0.029 0.000 1.032 641 V CB -0.854 30.981 31.823 0.020 0.000 0.645 641 V HN 0.543 nan 8.190 nan 0.000 0.447 642 C N 0.390 119.721 119.300 0.052 0.000 2.388 642 C HA -0.231 4.228 4.460 -0.001 0.000 0.277 642 C C 3.102 178.208 174.990 0.193 0.000 1.210 642 C CA 1.233 60.305 59.018 0.090 0.000 1.743 642 C CB -1.338 26.458 27.740 0.092 0.000 2.047 642 C HN 0.618 nan 8.230 nan 0.000 0.458 643 A N -0.458 122.458 122.820 0.161 0.000 2.032 643 A HA -0.229 4.090 4.320 -0.001 0.000 0.221 643 A C 2.089 179.782 177.584 0.181 0.000 1.165 643 A CA 2.336 54.471 52.037 0.164 0.000 0.645 643 A CB -0.602 18.407 19.000 0.015 0.000 0.807 643 A HN 0.725 nan 8.150 nan 0.000 0.453 644 K N -0.876 119.599 120.400 0.124 0.000 2.228 644 K HA 0.053 4.372 4.320 -0.001 0.000 0.202 644 K C 1.670 178.338 176.600 0.113 0.000 1.051 644 K CA 0.719 57.067 56.287 0.100 0.000 0.960 644 K CB -0.328 32.209 32.500 0.062 0.000 0.743 644 K HN 0.327 nan 8.250 nan 0.000 0.458 645 L N 0.126 121.410 121.223 0.102 0.000 2.012 645 L HA -0.098 4.241 4.340 -0.001 0.000 0.210 645 L C 1.621 178.505 176.870 0.022 0.000 1.073 645 L CA 1.732 56.585 54.840 0.022 0.000 0.748 645 L CB -0.568 41.459 42.059 -0.054 0.000 0.891 645 L HN 0.165 nan 8.230 nan 0.000 0.431 646 F N -0.125 119.826 119.950 0.001 0.000 2.115 646 F HA -0.224 4.302 4.527 -0.001 0.000 0.300 646 F C 2.392 178.198 175.800 0.010 0.000 1.092 646 F CA 1.857 59.860 58.000 0.005 0.000 1.245 646 F CB -1.152 37.852 39.000 0.008 0.000 0.995 646 F HN 0.228 nan 8.300 nan 0.000 0.481 647 G N -1.288 107.636 108.800 0.208 0.000 2.494 647 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.216 647 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.216 647 G C 1.521 176.470 174.900 0.082 0.000 1.140 647 G CA 0.486 45.663 45.100 0.127 0.000 0.801 647 G HN 0.216 nan 8.290 nan 0.000 0.536 648 N N 0.832 119.572 118.700 0.067 0.000 2.135 648 N HA -0.004 4.736 4.740 -0.001 0.000 0.186 648 N C 2.201 177.720 175.510 0.015 0.000 1.027 648 N CA 0.602 53.679 53.050 0.045 0.000 0.849 648 N CB -0.248 38.262 38.487 0.039 0.000 1.002 648 N HN 0.308 nan 8.380 nan 0.000 0.425 649 I N 1.288 121.853 120.570 -0.009 0.000 2.127 649 I HA -0.314 3.855 4.170 -0.001 0.000 0.241 649 I C 2.312 178.417 176.117 -0.021 0.000 1.075 649 I CA 1.220 62.498 61.300 -0.036 0.000 1.334 649 I CB -0.270 37.681 38.000 -0.081 0.000 1.040 649 I HN 0.163 nan 8.210 nan 0.000 0.405 650 Q N 0.719 120.523 119.800 0.007 0.000 2.002 650 Q HA -0.273 4.066 4.340 -0.001 0.000 0.204 650 Q C 2.269 178.242 176.000 -0.044 0.000 0.988 650 Q CA 1.957 57.763 55.803 0.006 0.000 0.843 650 Q CB -0.135 28.631 28.738 0.047 0.000 0.908 650 Q HN 0.340 nan 8.270 nan 0.000 0.420 651 K N -0.308 120.062 120.400 -0.051 0.000 2.034 651 K HA -0.215 4.104 4.320 -0.001 0.000 0.214 651 K C 2.054 178.526 176.600 -0.213 0.000 1.051 651 K CA 1.825 58.008 56.287 -0.172 0.000 0.931 651 K CB -0.342 32.160 32.500 0.004 0.000 0.715 651 K HN 0.029 nan 8.250 nan 0.000 0.446 652 V N 0.454 120.324 119.914 -0.072 0.000 2.237 652 V HA -0.247 3.872 4.120 -0.001 0.000 0.245 652 V C 2.226 178.353 176.094 0.055 0.000 1.046 652 V CA 1.728 64.018 62.300 -0.017 0.000 1.007 652 V CB -0.353 31.465 31.823 -0.008 0.000 0.638 652 V HN 0.129 nan 8.190 nan 0.000 0.445 653 V N 0.660 120.587 119.914 0.022 0.000 2.295 653 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 653 V C 2.354 178.521 176.094 0.122 0.000 1.049 653 V CA 2.193 64.533 62.300 0.067 0.000 1.024 653 V CB -0.947 30.875 31.823 -0.002 0.000 0.648 653 V HN 0.571 nan 8.190 nan 0.000 0.447 654 N N -0.228 118.487 118.700 0.025 0.000 2.094 654 N HA -0.216 4.523 4.740 -0.001 0.000 0.191 654 N C 1.722 177.225 175.510 -0.012 0.000 1.023 654 N CA 1.891 54.935 53.050 -0.010 0.000 0.857 654 N CB -0.514 37.928 38.487 -0.075 0.000 1.013 654 N HN 0.550 nan 8.380 nan 0.000 0.426 655 F N 0.222 120.053 119.950 -0.199 0.000 2.075 655 F HA -0.148 4.378 4.527 -0.001 0.000 0.297 655 F C 2.400 178.251 175.800 0.084 0.000 1.113 655 F CA 1.289 59.187 58.000 -0.170 0.000 1.218 655 F CB -0.714 38.030 39.000 -0.427 0.000 0.984 655 F HN 0.100 nan 8.300 nan 0.000 0.472 656 W N 0.678 121.982 121.300 0.007 0.000 2.321 656 W HA -0.269 4.390 4.660 -0.001 0.000 0.306 656 W C 2.051 178.519 176.519 -0.084 0.000 1.217 656 W CA 1.993 59.311 57.345 -0.044 0.000 1.257 656 W CB -0.503 28.966 29.460 0.015 0.000 1.145 656 W HN 0.182 nan 8.180 nan 0.000 0.509 657 L N 0.276 121.564 121.223 0.109 0.000 2.093 657 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 657 L C 2.306 179.018 176.870 -0.263 0.000 1.085 657 L CA 1.547 56.359 54.840 -0.046 0.000 0.755 657 L CB -1.319 40.797 42.059 0.096 0.000 0.904 657 L HN 0.116 nan 8.230 nan 0.000 0.435 658 L N -0.967 120.068 121.223 -0.313 0.000 2.187 658 L HA -0.223 4.117 4.340 -0.001 0.000 0.213 658 L C 2.155 178.620 176.870 -0.676 0.000 1.100 658 L CA 1.908 56.459 54.840 -0.481 0.000 0.765 658 L CB -0.871 40.828 42.059 -0.600 0.000 0.904 658 L HN 0.464 nan 8.230 nan 0.000 0.437 659 H N -2.750 116.021 119.070 -0.498 0.000 2.705 659 H HA 0.150 4.706 4.556 -0.001 0.000 0.269 659 H C 1.443 176.472 175.328 -0.498 0.000 0.998 659 H CA 0.640 56.406 56.048 -0.472 0.000 1.193 659 H CB 0.351 29.793 29.762 -0.534 0.000 1.485 659 H HN 0.431 nan 8.280 nan 0.000 0.521 660 N N 0.435 118.777 118.700 -0.596 0.000 2.349 660 N HA 0.076 4.816 4.740 -0.001 0.000 0.180 660 N C 0.488 175.817 175.510 -0.301 0.000 1.024 660 N CA 1.027 53.713 53.050 -0.607 0.000 0.869 660 N CB 0.875 38.626 38.487 -1.226 0.000 1.022 660 N HN 0.337 nan 8.380 nan 0.000 0.433 661 G N -0.563 108.093 108.800 -0.241 0.000 2.733 661 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.686 661 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.686 661 G C -1.117 173.829 174.900 0.077 0.000 1.373 661 G CA -0.184 44.862 45.100 -0.090 0.000 0.838 661 G HN 0.381 nan 8.290 nan 0.000 0.588 662 F N 0.976 120.884 119.950 -0.070 0.000 2.635 662 F HA 0.754 5.280 4.527 -0.001 0.000 0.314 662 F C -0.164 175.623 175.800 -0.022 0.000 1.119 662 F CA 0.244 58.229 58.000 -0.025 0.000 1.000 662 F CB 1.957 40.961 39.000 0.006 0.000 1.278 662 F HN 1.337 nan 8.300 nan 0.000 0.446 663 S N 2.668 117.861 115.700 -0.846 0.000 2.705 663 S HA 0.899 5.368 4.470 -0.001 0.000 0.280 663 S C -1.625 172.569 174.600 -0.677 0.000 1.174 663 S CA -0.309 57.570 58.200 -0.534 0.000 0.823 663 S CB 2.089 65.132 63.200 -0.260 0.000 1.162 663 S HN 0.784 nan 8.310 nan 0.000 0.487 664 T N 0.781 115.139 114.554 -0.327 0.000 2.956 664 T HA 0.738 5.088 4.350 -0.001 0.000 0.312 664 T C -0.242 174.387 174.700 -0.118 0.000 1.151 664 T CA -0.161 61.810 62.100 -0.214 0.000 1.024 664 T CB 1.434 70.231 68.868 -0.119 0.000 1.140 664 T HN 1.030 nan 8.240 nan 0.000 0.473 665 G N 0.638 109.385 108.800 -0.089 0.000 2.921 665 G HA2 0.572 4.532 3.960 -0.001 0.000 0.291 665 G HA3 0.572 4.532 3.960 -0.001 0.000 0.291 665 G C 0.600 175.479 174.900 -0.036 0.000 1.370 665 G CA -0.681 44.384 45.100 -0.058 0.000 0.847 665 G HN 0.646 nan 8.290 nan 0.000 0.532 666 I N 0.785 121.339 120.570 -0.027 0.000 2.264 666 I HA -0.025 4.145 4.170 -0.001 0.000 0.248 666 I C 2.562 178.671 176.117 -0.012 0.000 1.111 666 I CA 2.470 63.761 61.300 -0.015 0.000 1.382 666 I CB -0.338 37.655 38.000 -0.013 0.000 1.060 666 I HN 0.511 nan 8.210 nan 0.000 0.418 667 G N -0.656 108.133 108.800 -0.018 0.000 2.509 667 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 667 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 667 G C 1.309 176.203 174.900 -0.010 0.000 1.124 667 G CA 0.709 45.801 45.100 -0.013 0.000 0.776 667 G HN 0.415 nan 8.290 nan 0.000 0.547 668 D N 0.155 120.546 120.400 -0.014 0.000 2.363 668 D HA -0.067 4.572 4.640 -0.001 0.000 0.220 668 D C 2.457 178.762 176.300 0.008 0.000 0.994 668 D CA 1.407 55.404 54.000 -0.005 0.000 0.890 668 D CB 0.171 40.962 40.800 -0.015 0.000 0.906 668 D HN 0.511 nan 8.370 nan 0.000 0.530 669 T N -1.860 112.698 114.554 0.007 0.000 3.069 669 T HA 0.191 4.540 4.350 -0.001 0.000 0.252 669 T C 0.888 175.596 174.700 0.013 0.000 1.053 669 T CA -0.268 61.841 62.100 0.014 0.000 0.964 669 T CB 0.094 68.974 68.868 0.019 0.000 1.005 669 T HN -0.067 nan 8.240 nan 0.000 0.532 670 I N 2.273 122.849 120.570 0.010 0.000 2.396 670 I HA 0.627 4.797 4.170 -0.001 0.000 0.292 670 I C 0.296 176.421 176.117 0.013 0.000 0.999 670 I CA -1.127 60.179 61.300 0.010 0.000 1.310 670 I CB 1.432 39.435 38.000 0.006 0.000 1.404 670 I HN 0.199 nan 8.210 nan 0.000 0.496 671 A N 3.957 126.785 122.820 0.014 0.000 2.350 671 A HA 0.409 4.728 4.320 -0.001 0.000 0.324 671 A C 0.481 178.075 177.584 0.016 0.000 1.118 671 A CA -0.687 51.360 52.037 0.018 0.000 0.783 671 A CB 0.903 19.915 19.000 0.021 0.000 1.236 671 A HN 0.816 nan 8.150 nan 0.000 0.457 672 D N 1.697 122.108 120.400 0.018 0.000 2.219 672 D HA 0.041 4.680 4.640 -0.001 0.000 0.205 672 D C 1.080 177.389 176.300 0.015 0.000 0.970 672 D CA 0.934 54.943 54.000 0.015 0.000 0.851 672 D CB -0.673 40.136 40.800 0.016 0.000 0.943 672 D HN 1.567 nan 8.370 nan 0.000 0.488 673 G N 2.136 110.946 108.800 0.017 0.000 2.325 673 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.274 673 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.274 673 G C -1.356 173.553 174.900 0.015 0.000 0.921 673 G CA -0.108 45.001 45.100 0.016 0.000 1.340 673 G HN 0.256 nan 8.290 nan 0.000 0.447 674 P HA -0.363 nan 4.420 nan 0.000 0.255 674 P C 2.166 179.478 177.300 0.020 0.000 0.776 674 P CA 2.839 65.950 63.100 0.017 0.000 1.093 674 P CB -0.789 30.921 31.700 0.017 0.000 0.807 675 T N -1.263 113.304 114.554 0.022 0.000 2.668 675 T HA -0.298 4.051 4.350 -0.001 0.000 0.265 675 T C 1.756 176.471 174.700 0.026 0.000 1.041 675 T CA 2.454 64.570 62.100 0.027 0.000 1.160 675 T CB -0.677 68.208 68.868 0.029 0.000 0.857 675 T HN 0.061 nan 8.240 nan 0.000 0.455 676 M N 0.706 120.319 119.600 0.021 0.000 2.065 676 M HA -0.041 4.438 4.480 -0.001 0.000 0.259 676 M C 2.407 178.720 176.300 0.022 0.000 1.071 676 M CA 1.550 56.862 55.300 0.020 0.000 1.109 676 M CB -1.156 31.453 32.600 0.015 0.000 1.313 676 M HN 0.186 nan 8.290 nan 0.000 0.408 677 R N -0.140 120.372 120.500 0.020 0.000 2.113 677 R HA -0.209 4.130 4.340 -0.001 0.000 0.244 677 R C 2.201 178.514 176.300 0.023 0.000 1.142 677 R CA 2.033 58.145 56.100 0.020 0.000 0.953 677 R CB -0.276 30.034 30.300 0.017 0.000 0.860 677 R HN 0.473 nan 8.270 nan 0.000 0.438 678 E N -0.070 120.144 120.200 0.024 0.000 2.110 678 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 678 E C 1.861 178.481 176.600 0.033 0.000 0.988 678 E CA 1.129 57.545 56.400 0.027 0.000 0.804 678 E CB 0.030 29.747 29.700 0.028 0.000 0.745 678 E HN 0.330 nan 8.360 nan 0.000 0.458 679 I N 0.093 120.685 120.570 0.036 0.000 2.193 679 I HA -0.240 3.929 4.170 -0.001 0.000 0.240 679 I C 2.385 178.532 176.117 0.049 0.000 1.084 679 I CA 1.131 62.458 61.300 0.045 0.000 1.365 679 I CB -0.277 37.746 38.000 0.038 0.000 1.064 679 I HN 0.111 nan 8.210 nan 0.000 0.410 680 T N 0.326 114.905 114.554 0.041 0.000 2.685 680 T HA -0.251 4.098 4.350 -0.001 0.000 0.268 680 T C 1.712 176.437 174.700 0.042 0.000 1.034 680 T CA 1.731 63.858 62.100 0.044 0.000 1.149 680 T CB -0.321 68.567 68.868 0.033 0.000 0.860 680 T HN 0.427 nan 8.240 nan 0.000 0.449 681 E N 0.209 120.428 120.200 0.032 0.000 2.107 681 E HA -0.070 4.280 4.350 -0.001 0.000 0.191 681 E C 2.490 179.103 176.600 0.022 0.000 0.982 681 E CA 1.217 57.631 56.400 0.024 0.000 0.809 681 E CB -0.211 29.499 29.700 0.018 0.000 0.756 681 E HN 0.378 nan 8.360 nan 0.000 0.459 682 T N 1.259 115.831 114.554 0.031 0.000 2.759 682 T HA -0.148 4.202 4.350 -0.001 0.000 0.269 682 T C 1.896 176.618 174.700 0.036 0.000 1.042 682 T CA 0.980 63.101 62.100 0.034 0.000 1.140 682 T CB -0.101 68.798 68.868 0.052 0.000 0.864 682 T HN 0.103 nan 8.240 nan 0.000 0.455 683 I N 0.879 121.484 120.570 0.059 0.000 2.339 683 I HA 0.003 4.173 4.170 -0.001 0.000 0.245 683 I C 2.842 178.974 176.117 0.024 0.000 1.096 683 I CA 0.711 62.056 61.300 0.075 0.000 1.408 683 I CB -0.417 37.685 38.000 0.170 0.000 1.092 683 I HN 0.132 nan 8.210 nan 0.000 0.423 684 A N 0.206 123.043 122.820 0.030 0.000 2.042 684 A HA -0.303 4.017 4.320 -0.001 0.000 0.222 684 A C 2.218 179.789 177.584 -0.022 0.000 1.167 684 A CA 2.146 54.190 52.037 0.011 0.000 0.649 684 A CB -0.673 18.337 19.000 0.017 0.000 0.809 684 A HN 0.514 nan 8.150 nan 0.000 0.457 685 E N -0.641 119.541 120.200 -0.030 0.000 2.072 685 E HA -0.005 4.345 4.350 -0.001 0.000 0.190 685 E C 2.146 178.677 176.600 -0.115 0.000 0.982 685 E CA 0.825 57.188 56.400 -0.062 0.000 0.803 685 E CB -0.196 29.475 29.700 -0.048 0.000 0.755 685 E HN 0.581 nan 8.360 nan 0.000 0.453 686 A N 0.889 123.640 122.820 -0.114 0.000 1.968 686 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 686 A C 1.850 179.326 177.584 -0.180 0.000 1.169 686 A CA 0.927 52.859 52.037 -0.174 0.000 0.638 686 A CB -0.178 18.734 19.000 -0.147 0.000 0.812 686 A HN 0.066 nan 8.150 nan 0.000 0.446 687 K N -0.402 119.922 120.400 -0.127 0.000 2.362 687 K HA -0.076 4.243 4.320 -0.001 0.000 0.200 687 K C 1.884 178.441 176.600 -0.073 0.000 1.046 687 K CA 1.157 57.394 56.287 -0.085 0.000 0.952 687 K CB -0.007 32.474 32.500 -0.031 0.000 0.753 687 K HN 0.438 nan 8.250 nan 0.000 0.466 688 K N 1.047 121.385 120.400 -0.103 0.000 2.202 688 K HA -0.012 4.307 4.320 -0.001 0.000 0.201 688 K C 1.566 178.073 176.600 -0.155 0.000 1.051 688 K CA 0.649 56.878 56.287 -0.096 0.000 0.977 688 K CB 0.326 32.778 32.500 -0.080 0.000 0.792 688 K HN -0.053 nan 8.250 nan 0.000 0.469 689 K N 0.275 120.498 120.400 -0.296 0.000 2.097 689 K HA -0.062 4.257 4.320 -0.001 0.000 0.205 689 K C 1.867 178.249 176.600 -0.364 0.000 1.050 689 K CA 1.041 57.007 56.287 -0.535 0.000 0.938 689 K CB 0.090 31.874 32.500 -1.193 0.000 0.718 689 K HN -0.055 nan 8.250 nan 0.000 0.442 690 V N 1.477 121.284 119.914 -0.179 0.000 2.515 690 V HA -0.199 3.920 4.120 -0.001 0.000 0.250 690 V C 2.070 178.212 176.094 0.080 0.000 1.058 690 V CA 1.191 63.521 62.300 0.051 0.000 1.064 690 V CB -0.279 31.567 31.823 0.040 0.000 0.675 690 V HN 0.240 nan 8.190 nan 0.000 0.461 691 L N 0.271 121.512 121.223 0.031 0.000 2.093 691 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 691 L C 1.859 178.768 176.870 0.066 0.000 1.085 691 L CA 1.963 56.839 54.840 0.061 0.000 0.755 691 L CB -0.720 41.357 42.059 0.031 0.000 0.904 691 L HN 0.278 nan 8.230 nan 0.000 0.435 692 D N -1.431 118.985 120.400 0.026 0.000 2.277 692 D HA -0.065 4.575 4.640 -0.001 0.000 0.208 692 D C 2.219 178.567 176.300 0.080 0.000 0.962 692 D CA 0.916 54.934 54.000 0.029 0.000 0.865 692 D CB 0.159 40.947 40.800 -0.020 0.000 0.939 692 D HN 0.231 nan 8.370 nan 0.000 0.510 693 V N 0.198 120.193 119.914 0.135 0.000 2.788 693 V HA -0.106 4.013 4.120 -0.001 0.000 0.251 693 V C 2.267 178.537 176.094 0.294 0.000 1.068 693 V CA 1.313 63.744 62.300 0.218 0.000 1.090 693 V CB -0.345 31.642 31.823 0.274 0.000 0.710 693 V HN 0.180 nan 8.190 nan 0.000 0.467 694 T N -0.197 114.536 114.554 0.300 0.000 2.668 694 T HA -0.196 4.153 4.350 -0.001 0.000 0.262 694 T C 1.982 176.735 174.700 0.089 0.000 1.045 694 T CA 1.445 63.685 62.100 0.233 0.000 1.152 694 T CB -0.197 68.802 68.868 0.218 0.000 0.864 694 T HN 0.358 nan 8.240 nan 0.000 0.419 695 K N 0.781 121.230 120.400 0.081 0.000 2.089 695 K HA -0.188 4.131 4.320 -0.001 0.000 0.210 695 K C 2.444 179.068 176.600 0.040 0.000 1.048 695 K CA 1.552 57.867 56.287 0.047 0.000 0.926 695 K CB -0.149 32.376 32.500 0.042 0.000 0.714 695 K HN 0.456 nan 8.250 nan 0.000 0.448 696 E N -0.151 120.086 120.200 0.061 0.000 2.017 696 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 696 E C 1.916 178.538 176.600 0.036 0.000 0.997 696 E CA 1.191 57.624 56.400 0.055 0.000 0.804 696 E CB -0.098 29.651 29.700 0.081 0.000 0.757 696 E HN 0.339 nan 8.360 nan 0.000 0.448 697 A N 0.553 123.399 122.820 0.043 0.000 2.121 697 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 697 A C 1.849 179.386 177.584 -0.079 0.000 1.154 697 A CA 1.077 53.103 52.037 -0.019 0.000 0.679 697 A CB -0.204 18.765 19.000 -0.051 0.000 0.795 697 A HN 0.214 nan 8.150 nan 0.000 0.458 698 Q N -1.201 118.562 119.800 -0.061 0.000 2.354 698 Q HA 0.178 4.517 4.340 -0.001 0.000 0.203 698 Q C 2.087 178.068 176.000 -0.031 0.000 0.933 698 Q CA 0.695 56.461 55.803 -0.062 0.000 0.901 698 Q CB -0.088 28.625 28.738 -0.041 0.000 1.007 698 Q HN 0.658 nan 8.270 nan 0.000 0.495 699 A N 1.007 123.819 122.820 -0.015 0.000 2.119 699 A HA -0.070 4.249 4.320 -0.001 0.000 0.216 699 A C 0.733 178.312 177.584 -0.010 0.000 1.152 699 A CA 0.759 52.793 52.037 -0.006 0.000 0.708 699 A CB -0.015 18.988 19.000 0.004 0.000 0.805 699 A HN 0.481 nan 8.150 nan 0.000 0.460 700 N N -2.471 116.219 118.700 -0.017 0.000 2.862 700 N HA -0.132 4.608 4.740 -0.001 0.000 0.248 700 N C 0.229 175.736 175.510 -0.004 0.000 1.116 700 N CA 0.947 53.987 53.050 -0.017 0.000 0.727 700 N CB -1.927 36.550 38.487 -0.017 0.000 1.083 700 N HN 0.410 nan 8.380 nan 0.000 0.555 701 L N -1.040 120.186 121.223 0.005 0.000 2.408 701 L HA 0.249 4.588 4.340 -0.001 0.000 0.215 701 L C 0.930 177.813 176.870 0.021 0.000 1.081 701 L CA -0.291 54.557 54.840 0.014 0.000 0.840 701 L CB -0.032 42.038 42.059 0.020 0.000 1.002 701 L HN 0.216 nan 8.230 nan 0.000 0.468 702 L N 1.684 122.924 121.223 0.028 0.000 2.540 702 L HA 0.040 4.380 4.340 -0.001 0.000 0.276 702 L C 0.466 177.351 176.870 0.025 0.000 1.212 702 L CA 0.563 55.427 54.840 0.041 0.000 0.893 702 L CB 0.380 42.478 42.059 0.064 0.000 1.138 702 L HN 0.124 nan 8.230 nan 0.000 0.491 703 T N 2.023 116.593 114.554 0.027 0.000 2.902 703 T HA 0.649 4.998 4.350 -0.001 0.000 0.283 703 T C 0.928 175.639 174.700 0.018 0.000 1.009 703 T CA -0.314 61.797 62.100 0.018 0.000 1.051 703 T CB 1.472 70.351 68.868 0.018 0.000 0.999 703 T HN 0.679 nan 8.240 nan 0.000 0.474 704 A N 1.746 124.572 122.820 0.009 0.000 2.119 704 A HA 0.281 4.600 4.320 -0.001 0.000 0.216 704 A C 0.915 178.504 177.584 0.009 0.000 1.152 704 A CA 0.564 52.603 52.037 0.004 0.000 0.708 704 A CB -0.836 18.155 19.000 -0.015 0.000 0.805 704 A HN 1.003 nan 8.150 nan 0.000 0.460 705 K N -3.156 117.257 120.400 0.022 0.000 1.889 705 K HA -0.207 4.112 4.320 -0.001 0.000 0.830 705 K C -0.251 176.386 176.600 0.062 0.000 2.106 705 K CA 0.861 57.174 56.287 0.043 0.000 1.379 705 K CB -0.834 31.691 32.500 0.043 0.000 2.598 705 K HN 0.682 nan 8.250 nan 0.000 0.232 706 H N -0.732 118.330 119.070 -0.012 0.000 2.457 706 H HA 0.453 5.008 4.556 -0.001 0.000 0.335 706 H C 0.651 175.974 175.328 -0.010 0.000 1.115 706 H CA 0.892 56.930 56.048 -0.018 0.000 1.219 706 H CB 1.670 31.414 29.762 -0.030 0.000 1.471 706 H HN 0.840 nan 8.280 nan 0.000 0.491 707 G N 4.288 112.852 108.800 -0.393 0.000 2.249 707 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.273 707 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.273 707 G C -0.246 174.615 174.900 -0.065 0.000 1.036 707 G CA 0.521 45.491 45.100 -0.216 0.000 0.824 707 G HN 0.592 nan 8.290 nan 0.000 0.504 708 M N 0.147 119.710 119.600 -0.062 0.000 2.378 708 M HA 0.261 4.740 4.480 -0.001 0.000 0.289 708 M C 0.377 176.656 176.300 -0.035 0.000 1.136 708 M CA -0.573 54.710 55.300 -0.028 0.000 0.917 708 M CB 2.122 34.720 32.600 -0.003 0.000 1.669 708 M HN 0.112 nan 8.290 nan 0.000 0.461 709 T N 2.763 117.301 114.554 -0.027 0.000 2.903 709 T HA 0.135 4.484 4.350 -0.001 0.000 0.314 709 T C 1.739 176.432 174.700 -0.012 0.000 1.078 709 T CA -0.206 61.879 62.100 -0.024 0.000 1.114 709 T CB 0.517 69.373 68.868 -0.020 0.000 0.987 709 T HN 0.548 nan 8.240 nan 0.000 0.548 710 L N 1.533 122.746 121.223 -0.016 0.000 1.965 710 L HA -0.281 4.058 4.340 -0.001 0.000 0.226 710 L C 2.985 179.865 176.870 0.016 0.000 1.083 710 L CA 1.797 56.634 54.840 -0.006 0.000 0.790 710 L CB -0.592 41.449 42.059 -0.031 0.000 0.898 710 L HN 0.648 nan 8.230 nan 0.000 0.439 711 R N -0.286 120.202 120.500 -0.020 0.000 2.103 711 R HA -0.212 4.128 4.340 -0.001 0.000 0.242 711 R C 2.206 178.542 176.300 0.060 0.000 1.142 711 R CA 1.827 57.921 56.100 -0.010 0.000 0.960 711 R CB -0.457 29.806 30.300 -0.061 0.000 0.858 711 R HN 0.526 nan 8.270 nan 0.000 0.439 712 E N 0.204 120.418 120.200 0.022 0.000 2.051 712 E HA -0.183 4.167 4.350 -0.001 0.000 0.192 712 E C 2.159 178.766 176.600 0.011 0.000 0.991 712 E CA 1.746 58.153 56.400 0.012 0.000 0.799 712 E CB -0.063 29.636 29.700 -0.002 0.000 0.748 712 E HN 0.346 nan 8.360 nan 0.000 0.449 713 S N 0.239 115.951 115.700 0.021 0.000 2.436 713 S HA -0.119 4.350 4.470 -0.001 0.000 0.228 713 S C 1.874 176.476 174.600 0.004 0.000 1.014 713 S CA 0.211 58.411 58.200 0.001 0.000 0.950 713 S CB -0.368 62.836 63.200 0.007 0.000 0.784 713 S HN 0.314 nan 8.310 nan 0.000 0.504 714 F N 3.072 122.970 119.950 -0.088 0.000 2.043 714 F HA -0.108 4.418 4.527 -0.001 0.000 0.297 714 F C 2.498 178.230 175.800 -0.112 0.000 1.121 714 F CA 2.246 60.186 58.000 -0.101 0.000 1.199 714 F CB -0.504 38.419 39.000 -0.129 0.000 0.968 714 F HN 0.127 nan 8.300 nan 0.000 0.478 715 E N 0.368 120.521 120.200 -0.079 0.000 2.070 715 E HA -0.288 4.061 4.350 -0.001 0.000 0.197 715 E C 1.950 178.379 176.600 -0.284 0.000 1.004 715 E CA 1.799 58.074 56.400 -0.209 0.000 0.805 715 E CB -0.845 28.828 29.700 -0.045 0.000 0.744 715 E HN 0.548 nan 8.360 nan 0.000 0.451 716 D N 0.526 120.807 120.400 -0.198 0.000 2.126 716 D HA -0.178 4.462 4.640 -0.001 0.000 0.190 716 D C 1.659 177.764 176.300 -0.325 0.000 1.001 716 D CA 1.458 55.338 54.000 -0.200 0.000 0.841 716 D CB -0.051 40.672 40.800 -0.128 0.000 0.949 716 D HN 0.053 nan 8.370 nan 0.000 0.446 717 N N -0.335 118.116 118.700 -0.416 0.000 2.104 717 N HA -0.128 4.611 4.740 -0.001 0.000 0.190 717 N C 1.945 176.911 175.510 -0.907 0.000 1.024 717 N CA 0.690 53.329 53.050 -0.684 0.000 0.853 717 N CB -0.514 37.640 38.487 -0.554 0.000 1.008 717 N HN 0.164 nan 8.380 nan 0.000 0.424 718 V N 0.709 120.236 119.914 -0.646 0.000 2.358 718 V HA -0.112 4.007 4.120 -0.001 0.000 0.246 718 V C 2.343 178.260 176.094 -0.296 0.000 1.047 718 V CA 0.984 63.023 62.300 -0.435 0.000 1.035 718 V CB -0.307 31.190 31.823 -0.543 0.000 0.658 718 V HN 0.063 nan 8.190 nan 0.000 0.452 719 V N -0.220 119.523 119.914 -0.284 0.000 2.759 719 V HA -0.169 3.950 4.120 -0.001 0.000 0.256 719 V C 2.490 178.497 176.094 -0.145 0.000 1.080 719 V CA 1.928 64.129 62.300 -0.165 0.000 1.101 719 V CB -0.674 31.071 31.823 -0.129 0.000 0.698 719 V HN 0.464 nan 8.190 nan 0.000 0.477 720 R N -0.744 119.604 120.500 -0.253 0.000 2.100 720 R HA -0.026 4.313 4.340 -0.001 0.000 0.220 720 R C 2.314 178.560 176.300 -0.089 0.000 1.091 720 R CA 1.152 57.136 56.100 -0.192 0.000 0.986 720 R CB -0.208 29.934 30.300 -0.264 0.000 0.888 720 R HN 0.494 nan 8.270 nan 0.000 0.444 721 F N 0.898 120.790 119.950 -0.096 0.000 2.102 721 F HA -0.229 4.298 4.527 -0.001 0.000 0.298 721 F C 2.284 178.006 175.800 -0.130 0.000 1.105 721 F CA 0.700 58.636 58.000 -0.106 0.000 1.239 721 F CB -0.178 38.739 39.000 -0.139 0.000 0.991 721 F HN 0.004 nan 8.300 nan 0.000 0.474 722 L N -0.154 121.076 121.223 0.012 0.000 2.046 722 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 722 L C 2.168 179.065 176.870 0.046 0.000 1.077 722 L CA 1.001 55.749 54.840 -0.153 0.000 0.747 722 L CB -0.668 41.235 42.059 -0.260 0.000 0.896 722 L HN 0.134 nan 8.230 nan 0.000 0.432 723 N N 0.444 119.185 118.700 0.069 0.000 2.058 723 N HA -0.220 4.520 4.740 -0.001 0.000 0.191 723 N C 1.649 177.229 175.510 0.117 0.000 1.037 723 N CA 1.626 54.741 53.050 0.109 0.000 0.848 723 N CB -0.283 38.245 38.487 0.068 0.000 1.021 723 N HN 0.503 nan 8.380 nan 0.000 0.422 724 E N 0.010 120.267 120.200 0.095 0.000 2.472 724 E HA 0.001 4.350 4.350 -0.001 0.000 0.200 724 E C 1.402 178.067 176.600 0.109 0.000 1.046 724 E CA 0.838 57.298 56.400 0.100 0.000 0.871 724 E CB 0.032 29.787 29.700 0.092 0.000 0.806 724 E HN 0.294 nan 8.360 nan 0.000 0.533 725 A N 2.018 124.906 122.820 0.113 0.000 1.887 725 A HA -0.024 4.295 4.320 -0.001 0.000 0.212 725 A C 2.283 179.972 177.584 0.176 0.000 1.198 725 A CA 0.840 52.944 52.037 0.113 0.000 0.628 725 A CB -0.430 18.603 19.000 0.054 0.000 0.847 725 A HN 0.215 nan 8.150 nan 0.000 0.449 726 R N 0.067 120.716 120.500 0.248 0.000 2.115 726 R HA -0.250 4.089 4.340 -0.001 0.000 0.239 726 R C 1.487 177.894 176.300 0.178 0.000 1.133 726 R CA 2.406 58.639 56.100 0.221 0.000 0.935 726 R CB -0.630 29.810 30.300 0.233 0.000 0.853 726 R HN 0.405 nan 8.270 nan 0.000 0.433 727 D N 0.147 120.664 120.400 0.196 0.000 2.116 727 D HA -0.205 4.435 4.640 -0.001 0.000 0.193 727 D C 1.827 178.282 176.300 0.259 0.000 0.998 727 D CA 2.061 56.215 54.000 0.257 0.000 0.836 727 D CB -0.117 40.790 40.800 0.177 0.000 0.951 727 D HN 0.520 nan 8.370 nan 0.000 0.449 728 K N 0.038 120.537 120.400 0.165 0.000 2.365 728 K HA 0.223 4.542 4.320 -0.001 0.000 0.197 728 K C 1.841 178.521 176.600 0.134 0.000 1.042 728 K CA 0.781 57.145 56.287 0.128 0.000 0.987 728 K CB 0.219 32.769 32.500 0.083 0.000 0.779 728 K HN 0.008 nan 8.250 nan 0.000 0.484 729 A N 1.545 124.448 122.820 0.138 0.000 1.929 729 A HA 0.080 4.400 4.320 -0.001 0.000 0.216 729 A C 2.385 180.041 177.584 0.121 0.000 1.176 729 A CA 1.290 53.393 52.037 0.110 0.000 0.628 729 A CB -0.971 18.087 19.000 0.096 0.000 0.816 729 A HN 0.505 nan 8.150 nan 0.000 0.444 730 G N -0.752 108.150 108.800 0.170 0.000 2.403 730 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.216 730 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.216 730 G C 1.751 176.930 174.900 0.464 0.000 1.154 730 G CA 0.789 45.983 45.100 0.157 0.000 0.784 730 G HN 0.501 nan 8.290 nan 0.000 0.538 731 R N -0.366 120.422 120.500 0.479 0.000 2.073 731 R HA 0.078 4.417 4.340 -0.001 0.000 0.234 731 R C 2.621 179.022 176.300 0.168 0.000 1.134 731 R CA 0.939 57.197 56.100 0.265 0.000 0.952 731 R CB -0.408 29.937 30.300 0.075 0.000 0.850 731 R HN 0.321 nan 8.270 nan 0.000 0.433 732 L N -0.167 121.134 121.223 0.131 0.000 2.079 732 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 732 L C 2.563 179.484 176.870 0.085 0.000 1.081 732 L CA 1.393 56.285 54.840 0.087 0.000 0.752 732 L CB -0.506 41.595 42.059 0.070 0.000 0.896 732 L HN 0.322 nan 8.230 nan 0.000 0.433 733 A N 0.105 122.984 122.820 0.098 0.000 1.897 733 A HA -0.221 4.098 4.320 -0.001 0.000 0.215 733 A C 2.262 179.900 177.584 0.091 0.000 1.181 733 A CA 1.514 53.597 52.037 0.076 0.000 0.620 733 A CB -0.482 18.549 19.000 0.051 0.000 0.821 733 A HN 0.564 nan 8.150 nan 0.000 0.443 734 E N 0.811 121.098 120.200 0.144 0.000 2.150 734 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 734 E C 1.790 178.448 176.600 0.097 0.000 0.985 734 E CA 1.915 58.403 56.400 0.146 0.000 0.814 734 E CB -0.472 29.375 29.700 0.244 0.000 0.752 734 E HN 0.531 nan 8.360 nan 0.000 0.466 735 V N -0.090 119.873 119.914 0.081 0.000 2.515 735 V HA -0.190 3.929 4.120 -0.001 0.000 0.250 735 V C 2.281 178.404 176.094 0.048 0.000 1.058 735 V CA 2.023 64.356 62.300 0.055 0.000 1.064 735 V CB -0.999 30.849 31.823 0.042 0.000 0.675 735 V HN 0.330 nan 8.190 nan 0.000 0.461 736 N N 0.037 118.767 118.700 0.050 0.000 2.396 736 N HA -0.063 4.676 4.740 -0.001 0.000 0.180 736 N C 0.574 176.108 175.510 0.041 0.000 1.028 736 N CA 0.217 53.291 53.050 0.041 0.000 0.893 736 N CB -0.139 38.371 38.487 0.038 0.000 0.967 736 N HN 0.404 nan 8.380 nan 0.000 0.440 737 L N 2.886 124.138 121.223 0.048 0.000 2.540 737 L HA -0.010 4.329 4.340 -0.001 0.000 0.276 737 L C 0.488 177.385 176.870 0.045 0.000 1.212 737 L CA 0.742 55.611 54.840 0.047 0.000 0.893 737 L CB 0.555 42.649 42.059 0.058 0.000 1.138 737 L HN 0.169 nan 8.230 nan 0.000 0.491 738 K N 1.778 122.203 120.400 0.041 0.000 2.123 738 K HA 0.365 4.685 4.320 -0.001 0.000 0.248 738 K C 0.184 176.812 176.600 0.047 0.000 0.969 738 K CA -0.951 55.360 56.287 0.040 0.000 0.882 738 K CB 1.049 33.570 32.500 0.034 0.000 1.080 738 K HN 0.308 nan 8.250 nan 0.000 0.441 739 D N 1.037 121.466 120.400 0.047 0.000 2.172 739 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 739 D C 1.606 177.947 176.300 0.068 0.000 0.999 739 D CA 1.402 55.436 54.000 0.055 0.000 0.856 739 D CB 0.028 40.858 40.800 0.050 0.000 0.934 739 D HN 0.602 nan 8.370 nan 0.000 0.453 740 L N -0.679 120.580 121.223 0.060 0.000 2.552 740 L HA 0.084 4.423 4.340 -0.001 0.000 0.227 740 L C 0.641 177.546 176.870 0.059 0.000 1.146 740 L CA 0.598 55.476 54.840 0.064 0.000 0.858 740 L CB -0.834 41.254 42.059 0.048 0.000 0.969 740 L HN -0.170 nan 8.230 nan 0.000 0.451 741 N N 2.604 121.338 118.700 0.056 0.000 2.440 741 N HA -0.081 4.659 4.740 -0.001 0.000 0.265 741 N C 0.497 176.052 175.510 0.076 0.000 1.239 741 N CA 0.109 53.187 53.050 0.048 0.000 0.909 741 N CB 0.667 39.181 38.487 0.047 0.000 1.066 741 N HN 0.332 nan 8.380 nan 0.000 0.474 742 N N 3.225 121.949 118.700 0.039 0.000 2.188 742 N HA -0.117 4.622 4.740 -0.001 0.000 0.184 742 N C 1.592 177.201 175.510 0.165 0.000 1.018 742 N CA 0.838 53.925 53.050 0.061 0.000 0.858 742 N CB 0.048 38.428 38.487 -0.179 0.000 0.989 742 N HN 0.326 nan 8.380 nan 0.000 0.426 743 V N 1.809 121.781 119.914 0.096 0.000 2.358 743 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 743 V C 2.467 178.632 176.094 0.117 0.000 1.047 743 V CA 1.538 63.902 62.300 0.107 0.000 1.035 743 V CB -0.437 31.426 31.823 0.067 0.000 0.658 743 V HN 0.291 nan 8.190 nan 0.000 0.452 744 K N 0.185 120.646 120.400 0.101 0.000 2.147 744 K HA -0.213 4.107 4.320 -0.001 0.000 0.205 744 K C 2.064 178.727 176.600 0.103 0.000 1.049 744 K CA 1.648 57.991 56.287 0.094 0.000 0.936 744 K CB -0.230 32.317 32.500 0.080 0.000 0.722 744 K HN 0.507 nan 8.250 nan 0.000 0.446 745 Q N -0.279 119.608 119.800 0.144 0.000 2.123 745 Q HA -0.051 4.289 4.340 -0.001 0.000 0.199 745 Q C 2.100 178.161 176.000 0.101 0.000 0.966 745 Q CA 1.628 57.520 55.803 0.147 0.000 0.845 745 Q CB -0.048 28.847 28.738 0.261 0.000 0.907 745 Q HN 0.414 nan 8.270 nan 0.000 0.439 746 M N -0.313 119.377 119.600 0.149 0.000 2.066 746 M HA -0.206 4.274 4.480 -0.001 0.000 0.259 746 M C 2.259 178.588 176.300 0.047 0.000 1.074 746 M CA 1.253 56.600 55.300 0.078 0.000 1.114 746 M CB -0.697 31.986 32.600 0.138 0.000 1.306 746 M HN 0.074 nan 8.290 nan 0.000 0.411 747 V N 1.138 121.093 119.914 0.068 0.000 2.243 747 V HA -0.410 3.710 4.120 -0.001 0.000 0.258 747 V C 2.462 178.581 176.094 0.042 0.000 1.073 747 V CA 2.634 64.969 62.300 0.059 0.000 1.069 747 V CB -0.628 31.241 31.823 0.077 0.000 0.681 747 V HN 0.531 nan 8.190 nan 0.000 0.457 748 M N -0.918 118.707 119.600 0.041 0.000 2.149 748 M HA -0.181 4.299 4.480 -0.001 0.000 0.261 748 M C 2.178 178.481 176.300 0.005 0.000 1.064 748 M CA 2.143 57.459 55.300 0.025 0.000 1.102 748 M CB -0.543 32.073 32.600 0.028 0.000 1.369 748 M HN 0.469 nan 8.290 nan 0.000 0.408 749 A N -0.265 122.551 122.820 -0.007 0.000 2.067 749 A HA 0.261 4.580 4.320 -0.001 0.000 0.217 749 A C 1.702 179.272 177.584 -0.024 0.000 1.156 749 A CA 1.152 53.170 52.037 -0.033 0.000 0.683 749 A CB -0.673 18.286 19.000 -0.069 0.000 0.808 749 A HN 0.664 nan 8.150 nan 0.000 0.455 750 G N -0.683 108.114 108.800 -0.005 0.000 2.165 750 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.226 750 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.226 750 G C 0.557 175.460 174.900 0.004 0.000 1.035 750 G CA 0.852 45.955 45.100 0.004 0.000 0.744 750 G HN 1.414 nan 8.290 nan 0.000 0.501 751 S N -1.165 114.536 115.700 0.001 0.000 2.554 751 S HA 0.607 5.076 4.470 -0.001 0.000 0.226 751 S C 0.201 174.811 174.600 0.018 0.000 0.980 751 S CA 0.836 59.036 58.200 0.000 0.000 0.939 751 S CB 0.767 63.950 63.200 -0.028 0.000 0.832 751 S HN 1.592 nan 8.310 nan 0.000 0.486 752 K N -1.159 119.258 120.400 0.028 0.000 8.681 752 K HA 0.151 4.470 4.320 -0.001 0.000 1.082 752 K C 0.026 176.657 176.600 0.052 0.000 1.283 752 K CA 0.375 56.685 56.287 0.038 0.000 0.887 752 K CB -0.926 31.597 32.500 0.038 0.000 2.061 752 K HN 0.278 nan 8.250 nan 0.000 0.389 753 G N 1.289 110.121 108.800 0.053 0.000 3.310 753 G HA2 0.693 4.652 3.960 -0.001 0.000 0.176 753 G HA3 0.693 4.652 3.960 -0.001 0.000 0.176 753 G C -0.356 174.578 174.900 0.057 0.000 1.307 753 G CA 0.180 45.308 45.100 0.046 0.000 0.935 753 G HN 1.086 nan 8.290 nan 0.000 0.628 754 S N -1.548 114.188 115.700 0.060 0.000 2.823 754 S HA 0.523 4.992 4.470 -0.001 0.000 0.316 754 S C 0.922 175.593 174.600 0.119 0.000 1.116 754 S CA -0.165 58.090 58.200 0.091 0.000 0.911 754 S CB 1.150 64.403 63.200 0.089 0.000 1.276 754 S HN 0.595 nan 8.310 nan 0.000 0.565 755 F N 0.944 120.909 119.950 0.025 0.000 2.069 755 F HA -0.007 4.519 4.527 -0.001 0.000 0.298 755 F C 2.037 177.853 175.800 0.027 0.000 1.113 755 F CA 1.698 59.714 58.000 0.025 0.000 1.214 755 F CB -0.502 38.510 39.000 0.021 0.000 0.978 755 F HN 0.646 nan 8.300 nan 0.000 0.474 756 I N 0.752 121.195 120.570 -0.211 0.000 2.113 756 I HA -0.465 3.704 4.170 -0.001 0.000 0.242 756 I C 2.094 178.073 176.117 -0.229 0.000 1.064 756 I CA 2.080 63.198 61.300 -0.302 0.000 1.320 756 I CB -0.599 37.359 38.000 -0.069 0.000 1.028 756 I HN 0.286 nan 8.210 nan 0.000 0.406 757 N N 1.287 119.932 118.700 -0.093 0.000 2.021 757 N HA -0.254 4.485 4.740 -0.001 0.000 0.198 757 N C 1.835 177.312 175.510 -0.055 0.000 1.041 757 N CA 2.164 55.194 53.050 -0.034 0.000 0.862 757 N CB -0.708 37.783 38.487 0.007 0.000 1.048 757 N HN 0.466 nan 8.380 nan 0.000 0.427 758 I N 1.027 121.552 120.570 -0.075 0.000 2.335 758 I HA -0.255 3.915 4.170 -0.001 0.000 0.251 758 I C 2.238 178.276 176.117 -0.132 0.000 1.129 758 I CA 1.065 62.327 61.300 -0.063 0.000 1.402 758 I CB -0.236 37.753 38.000 -0.018 0.000 1.069 758 I HN 0.122 nan 8.210 nan 0.000 0.424 759 A N 0.127 122.770 122.820 -0.294 0.000 1.903 759 A HA -0.133 4.186 4.320 -0.001 0.000 0.213 759 A C 2.263 179.705 177.584 -0.236 0.000 1.185 759 A CA 0.735 52.559 52.037 -0.355 0.000 0.628 759 A CB -0.351 18.202 19.000 -0.746 0.000 0.830 759 A HN 0.413 nan 8.150 nan 0.000 0.446 760 Q N -0.797 118.875 119.800 -0.212 0.000 2.119 760 Q HA -0.089 4.250 4.340 -0.001 0.000 0.201 760 Q C 2.097 177.996 176.000 -0.168 0.000 0.972 760 Q CA 1.442 57.109 55.803 -0.227 0.000 0.847 760 Q CB -0.297 28.354 28.738 -0.146 0.000 0.903 760 Q HN 0.673 nan 8.270 nan 0.000 0.433 761 M N -0.088 119.513 119.600 0.002 0.000 2.200 761 M HA -0.101 4.378 4.480 -0.001 0.000 0.265 761 M C 1.714 178.020 176.300 0.010 0.000 1.066 761 M CA 1.294 56.647 55.300 0.088 0.000 1.127 761 M CB 0.286 32.942 32.600 0.093 0.000 1.379 761 M HN 0.065 nan 8.290 nan 0.000 0.420 762 S N -1.007 114.674 115.700 -0.032 0.000 2.527 762 S HA 0.278 4.748 4.470 -0.001 0.000 0.227 762 S C 1.620 176.196 174.600 -0.040 0.000 1.059 762 S CA 0.382 58.569 58.200 -0.023 0.000 0.919 762 S CB 0.448 63.644 63.200 -0.008 0.000 0.805 762 S HN 0.458 nan 8.310 nan 0.000 0.500 763 A N -0.339 122.438 122.820 -0.072 0.000 1.938 763 A HA 0.562 4.881 4.320 -0.001 0.000 0.207 763 A C 0.734 178.261 177.584 -0.096 0.000 1.292 763 A CA 0.472 52.473 52.037 -0.060 0.000 0.700 763 A CB 0.040 19.014 19.000 -0.044 0.000 0.947 763 A HN 0.578 nan 8.150 nan 0.000 0.476 764 C N -1.284 117.913 119.300 -0.171 0.000 3.181 764 C HA 0.307 4.767 4.460 -0.001 0.000 0.414 764 C C 1.323 176.110 174.990 -0.338 0.000 1.016 764 C CA -0.386 58.491 59.018 -0.235 0.000 1.287 764 C CB -0.218 27.440 27.740 -0.136 0.000 1.665 764 C HN 0.388 nan 8.230 nan 0.000 0.549 765 V N 5.667 125.298 119.914 -0.472 0.000 2.295 765 V HA 0.243 4.362 4.120 -0.001 0.000 0.246 765 V C 2.021 177.873 176.094 -0.403 0.000 1.049 765 V CA 3.080 65.059 62.300 -0.536 0.000 1.024 765 V CB -1.135 30.258 31.823 -0.718 0.000 0.648 765 V HN 2.059 nan 8.190 nan 0.000 0.447 766 G N -0.604 107.873 108.800 -0.538 0.000 2.545 766 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.216 766 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.216 766 G C -0.351 174.370 174.900 -0.298 0.000 1.314 766 G CA 0.165 44.950 45.100 -0.523 0.000 0.906 766 G HN 0.617 nan 8.290 nan 0.000 0.563 767 Q N 0.932 120.746 119.800 0.022 0.000 2.307 767 Q HA 0.516 4.856 4.340 -0.001 0.000 0.259 767 Q C 0.549 176.590 176.000 0.068 0.000 0.998 767 Q CA -0.101 55.779 55.803 0.127 0.000 0.923 767 Q CB 0.614 29.483 28.738 0.218 0.000 1.196 767 Q HN 0.529 nan 8.270 nan 0.000 0.416 768 Q N 1.827 121.669 119.800 0.070 0.000 2.368 768 Q HA 0.509 4.849 4.340 -0.001 0.000 0.237 768 Q C -0.777 175.238 176.000 0.025 0.000 0.987 768 Q CA -0.114 55.741 55.803 0.086 0.000 0.896 768 Q CB 1.394 30.225 28.738 0.154 0.000 1.241 768 Q HN 0.774 nan 8.270 nan 0.000 0.485 769 S N -0.978 114.724 115.700 0.003 0.000 2.570 769 S HA 0.495 4.964 4.470 -0.001 0.000 0.286 769 S C -0.843 173.688 174.600 -0.115 0.000 1.143 769 S CA -0.934 57.215 58.200 -0.085 0.000 0.921 769 S CB 0.773 63.905 63.200 -0.112 0.000 1.108 769 S HN 0.241 nan 8.310 nan 0.000 0.456 770 V N 2.008 121.823 119.914 -0.165 0.000 2.555 770 V HA 0.571 4.690 4.120 -0.001 0.000 0.302 770 V C 0.612 176.473 176.094 -0.388 0.000 1.038 770 V CA -0.653 61.534 62.300 -0.188 0.000 0.887 770 V CB 1.035 32.802 31.823 -0.094 0.000 0.991 770 V HN 1.140 nan 8.190 nan 0.000 0.434 771 E N 2.848 122.639 120.200 -0.682 0.000 2.440 771 E HA -0.286 4.063 4.350 -0.001 0.000 0.246 771 E C 1.276 177.212 176.600 -1.108 0.000 1.165 771 E CA 0.614 56.176 56.400 -1.397 0.000 0.726 771 E CB -1.183 28.102 29.700 -0.692 0.000 1.271 771 E HN 1.520 nan 8.360 nan 0.000 0.397 772 G N -0.286 107.948 108.800 -0.943 0.000 2.196 772 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.268 772 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.268 772 G C 0.201 174.866 174.900 -0.392 0.000 0.975 772 G CA 1.295 45.996 45.100 -0.665 0.000 0.648 772 G HN 0.372 nan 8.290 nan 0.000 0.538 773 K N -0.301 119.894 120.400 -0.342 0.000 2.306 773 K HA 0.703 5.022 4.320 -0.001 0.000 0.236 773 K C 0.676 177.159 176.600 -0.195 0.000 1.013 773 K CA -1.199 54.953 56.287 -0.225 0.000 0.857 773 K CB 1.511 33.892 32.500 -0.198 0.000 1.214 773 K HN 0.154 nan 8.250 nan 0.000 0.449 774 R N 0.531 120.935 120.500 -0.160 0.000 2.827 774 R HA 0.125 4.465 4.340 -0.001 0.000 0.269 774 R C 0.376 176.551 176.300 -0.208 0.000 1.048 774 R CA -0.588 55.417 56.100 -0.158 0.000 1.173 774 R CB 0.070 30.290 30.300 -0.133 0.000 1.070 774 R HN 0.426 nan 8.270 nan 0.000 0.498 775 I N 1.926 122.345 120.570 -0.251 0.000 2.828 775 I HA -0.113 4.056 4.170 -0.001 0.000 0.292 775 I C 1.012 176.967 176.117 -0.270 0.000 1.206 775 I CA 0.479 61.612 61.300 -0.279 0.000 1.420 775 I CB -0.826 36.845 38.000 -0.547 0.000 1.368 775 I HN 0.649 nan 8.210 nan 0.000 0.556 776 A N 7.663 130.378 122.820 -0.175 0.000 2.332 776 A HA 0.351 4.670 4.320 -0.001 0.000 0.258 776 A C 0.125 177.689 177.584 -0.033 0.000 1.087 776 A CA -0.437 51.488 52.037 -0.188 0.000 0.802 776 A CB 0.053 18.994 19.000 -0.098 0.000 1.042 776 A HN 0.585 nan 8.150 nan 0.000 0.489 777 F N 1.915 121.851 119.950 -0.023 0.000 2.685 777 F HA 0.149 4.675 4.527 -0.001 0.000 0.349 777 F C 1.752 177.576 175.800 0.040 0.000 1.294 777 F CA -0.126 57.880 58.000 0.009 0.000 1.201 777 F CB 0.063 39.054 39.000 -0.015 0.000 1.615 777 F HN 0.828 nan 8.300 nan 0.000 0.674 778 G N 2.229 111.167 108.800 0.230 0.000 2.408 778 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.217 778 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.217 778 G C 0.479 175.353 174.900 -0.043 0.000 1.150 778 G CA 0.044 45.182 45.100 0.063 0.000 0.776 778 G HN 0.262 nan 8.290 nan 0.000 0.542 779 F N 0.066 120.074 119.950 0.096 0.000 2.406 779 F HA 0.341 4.868 4.527 -0.001 0.000 0.327 779 F C 0.799 176.611 175.800 0.020 0.000 1.153 779 F CA -0.804 57.223 58.000 0.044 0.000 1.218 779 F CB 1.056 40.072 39.000 0.026 0.000 1.215 779 F HN -0.257 nan 8.300 nan 0.000 0.570 780 V N 3.223 123.260 119.914 0.205 0.000 2.420 780 V HA -0.049 4.070 4.120 -0.001 0.000 0.274 780 V C -0.180 175.885 176.094 -0.048 0.000 1.003 780 V CA 0.136 62.481 62.300 0.075 0.000 1.092 780 V CB -0.740 31.114 31.823 0.052 0.000 1.002 780 V HN 0.830 nan 8.190 nan 0.000 0.473 781 D N 2.635 122.946 120.400 -0.148 0.000 2.983 781 D HA -0.204 4.436 4.640 -0.001 0.000 0.225 781 D C 0.504 176.127 176.300 -1.128 0.000 1.174 781 D CA 1.568 55.191 54.000 -0.629 0.000 0.831 781 D CB -0.663 39.906 40.800 -0.386 0.000 1.104 781 D HN 0.932 nan 8.370 nan 0.000 0.421 782 R N -2.371 117.772 120.500 -0.595 0.000 2.739 782 R HA 0.587 4.926 4.340 -0.001 0.000 0.271 782 R C 0.909 177.321 176.300 0.186 0.000 1.010 782 R CA -0.411 55.456 56.100 -0.388 0.000 0.897 782 R CB 0.669 30.864 30.300 -0.176 0.000 1.236 782 R HN -0.097 nan 8.270 nan 0.000 0.466 783 T N -1.037 113.713 114.554 0.326 0.000 3.035 783 T HA 0.256 4.606 4.350 -0.001 0.000 0.259 783 T C 0.845 175.912 174.700 0.612 0.000 1.078 783 T CA 0.340 62.724 62.100 0.473 0.000 1.132 783 T CB 0.025 69.087 68.868 0.323 0.000 0.900 783 T HN 0.361 nan 8.240 nan 0.000 0.480 784 L N 0.688 122.241 121.223 0.550 0.000 2.409 784 L HA 0.431 4.771 4.340 -0.001 0.000 0.255 784 L C -2.110 174.700 176.870 -0.100 0.000 1.027 784 L CA -2.558 52.460 54.840 0.296 0.000 0.834 784 L CB 2.856 45.182 42.059 0.444 0.000 1.426 784 L HN -0.275 nan 8.230 nan 0.000 0.411 785 P HA 0.002 nan 4.420 nan 0.000 0.245 785 P C 0.496 177.467 177.300 -0.549 0.000 1.212 785 P CA 0.770 63.464 63.100 -0.677 0.000 0.774 785 P CB 0.016 31.203 31.700 -0.854 0.000 0.999 786 H N -1.489 117.385 119.070 -0.326 0.000 2.535 786 H HA 0.200 4.755 4.556 -0.001 0.000 0.273 786 H C 0.586 175.632 175.328 -0.471 0.000 0.983 786 H CA 0.214 56.011 56.048 -0.419 0.000 1.238 786 H CB -0.683 28.768 29.762 -0.518 0.000 1.412 786 H HN 0.142 nan 8.280 nan 0.000 0.562 787 F N 0.070 120.026 119.950 0.010 0.000 2.403 787 F HA 0.361 4.887 4.527 -0.001 0.000 0.326 787 F C 1.040 176.793 175.800 -0.079 0.000 1.081 787 F CA -0.985 57.010 58.000 -0.009 0.000 1.041 787 F CB 1.081 40.095 39.000 0.022 0.000 1.234 787 F HN -0.151 nan 8.300 nan 0.000 0.503 788 S N 0.569 116.355 115.700 0.144 0.000 2.600 788 S HA 0.185 4.654 4.470 -0.001 0.000 0.265 788 S C -0.078 174.496 174.600 -0.044 0.000 1.325 788 S CA -0.807 57.408 58.200 0.026 0.000 1.002 788 S CB 0.550 63.764 63.200 0.023 0.000 0.921 788 S HN 0.389 nan 8.310 nan 0.000 0.554 789 K N 1.328 121.667 120.400 -0.103 0.000 2.319 789 K HA 0.070 4.390 4.320 -0.001 0.000 0.265 789 K C -0.493 175.980 176.600 -0.211 0.000 1.000 789 K CA -0.020 56.144 56.287 -0.204 0.000 0.943 789 K CB 0.157 32.565 32.500 -0.154 0.000 0.950 789 K HN 0.524 nan 8.250 nan 0.000 0.485 790 D N 1.729 121.902 120.400 -0.378 0.000 2.705 790 D HA -0.172 4.467 4.640 -0.001 0.000 0.240 790 D C -0.924 175.299 176.300 -0.129 0.000 1.137 790 D CA 1.079 54.941 54.000 -0.231 0.000 0.677 790 D CB -0.914 39.890 40.800 0.006 0.000 1.049 790 D HN 0.520 nan 8.370 nan 0.000 0.427 791 D N -0.177 120.059 120.400 -0.274 0.000 2.453 791 D HA 0.224 4.863 4.640 -0.001 0.000 0.238 791 D C -0.220 175.997 176.300 -0.137 0.000 1.088 791 D CA -0.631 53.311 54.000 -0.096 0.000 0.854 791 D CB 0.221 40.968 40.800 -0.089 0.000 1.076 791 D HN 0.084 nan 8.370 nan 0.000 0.533 792 Y N 1.466 121.858 120.300 0.154 0.000 2.658 792 Y HA 0.157 4.706 4.550 -0.001 0.000 0.276 792 Y C 1.260 177.245 175.900 0.142 0.000 1.167 792 Y CA -0.566 57.643 58.100 0.182 0.000 1.230 792 Y CB 0.008 38.610 38.460 0.238 0.000 1.144 792 Y HN 0.239 nan 8.280 nan 0.000 0.529 793 S N -0.452 115.354 115.700 0.177 0.000 2.584 793 S HA 0.102 4.571 4.470 -0.001 0.000 0.270 793 S C -1.708 172.939 174.600 0.078 0.000 1.346 793 S CA -1.095 57.183 58.200 0.131 0.000 1.018 793 S CB 1.194 64.456 63.200 0.103 0.000 0.899 793 S HN -0.006 nan 8.310 nan 0.000 0.542 794 P HA -0.132 nan 4.420 nan 0.000 0.215 794 P C 1.133 178.520 177.300 0.145 0.000 1.157 794 P CA 1.475 64.616 63.100 0.069 0.000 0.874 794 P CB -0.095 31.601 31.700 -0.007 0.000 0.790 795 E N -0.423 119.882 120.200 0.175 0.000 2.070 795 E HA -0.198 4.151 4.350 -0.001 0.000 0.197 795 E C 2.249 178.950 176.600 0.168 0.000 1.004 795 E CA 1.818 58.373 56.400 0.259 0.000 0.805 795 E CB -1.272 28.617 29.700 0.315 0.000 0.744 795 E HN 0.152 nan 8.360 nan 0.000 0.451 796 S N -0.073 115.514 115.700 -0.188 0.000 2.356 796 S HA -0.139 4.331 4.470 -0.001 0.000 0.223 796 S C 1.298 175.632 174.600 -0.443 0.000 1.032 796 S CA 1.211 58.958 58.200 -0.756 0.000 1.005 796 S CB -0.006 62.845 63.200 -0.580 0.000 0.867 796 S HN 0.094 nan 8.310 nan 0.000 0.449 797 K N 0.089 120.328 120.400 -0.268 0.000 2.493 797 K HA 0.298 4.617 4.320 -0.001 0.000 0.207 797 K C 0.665 177.054 176.600 -0.352 0.000 1.033 797 K CA 0.397 56.476 56.287 -0.347 0.000 1.161 797 K CB 0.386 32.765 32.500 -0.202 0.000 0.873 797 K HN 0.472 nan 8.250 nan 0.000 0.491 798 G N 1.760 110.383 108.800 -0.294 0.000 2.132 798 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.228 798 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.228 798 G C -0.251 174.744 174.900 0.158 0.000 1.000 798 G CA -0.529 44.531 45.100 -0.068 0.000 0.693 798 G HN 0.377 nan 8.290 nan 0.000 0.515 799 F N 1.760 121.732 119.950 0.036 0.000 2.533 799 F HA 0.474 5.000 4.527 -0.001 0.000 0.378 799 F C 0.738 176.590 175.800 0.088 0.000 1.070 799 F CA -0.449 57.580 58.000 0.048 0.000 1.172 799 F CB 0.886 39.910 39.000 0.040 0.000 1.085 799 F HN 0.051 nan 8.300 nan 0.000 0.552 800 V N 8.019 127.712 119.914 -0.368 0.000 2.408 800 V HA 0.047 4.166 4.120 -0.001 0.000 0.267 800 V C 1.050 176.749 176.094 -0.659 0.000 1.047 800 V CA -0.095 61.996 62.300 -0.347 0.000 0.937 800 V CB 1.019 32.657 31.823 -0.308 0.000 0.999 800 V HN 0.918 nan 8.190 nan 0.000 0.472 801 E N 3.981 123.993 120.200 -0.313 0.000 2.122 801 E HA -0.030 4.319 4.350 -0.001 0.000 0.190 801 E C 0.720 177.214 176.600 -0.176 0.000 0.977 801 E CA 0.216 56.492 56.400 -0.208 0.000 0.820 801 E CB 0.325 30.082 29.700 0.095 0.000 0.770 801 E HN 0.729 nan 8.360 nan 0.000 0.462 802 N N 1.310 119.922 118.700 -0.147 0.000 2.503 802 N HA 0.010 4.749 4.740 -0.001 0.000 0.267 802 N C -0.149 175.230 175.510 -0.217 0.000 1.214 802 N CA 0.190 53.165 53.050 -0.126 0.000 0.959 802 N CB 1.499 39.945 38.487 -0.068 0.000 1.142 802 N HN 0.095 nan 8.380 nan 0.000 0.455 803 S N 0.490 116.087 115.700 -0.173 0.000 2.655 803 S HA 0.209 4.679 4.470 -0.001 0.000 0.265 803 S C 1.168 175.654 174.600 -0.190 0.000 1.240 803 S CA -0.442 57.619 58.200 -0.231 0.000 0.986 803 S CB 0.256 63.383 63.200 -0.122 0.000 0.985 803 S HN 0.554 nan 8.310 nan 0.000 0.562 804 Y N -0.327 119.935 120.300 -0.063 0.000 2.242 804 Y HA -0.086 4.463 4.550 -0.001 0.000 0.291 804 Y C 2.356 178.242 175.900 -0.023 0.000 1.137 804 Y CA 0.783 58.861 58.100 -0.036 0.000 1.181 804 Y CB -0.367 38.078 38.460 -0.027 0.000 0.989 804 Y HN 0.526 nan 8.280 nan 0.000 0.527 805 L N 0.976 122.267 121.223 0.113 0.000 1.963 805 L HA -0.297 4.043 4.340 -0.001 0.000 0.220 805 L C 2.138 179.031 176.870 0.039 0.000 1.076 805 L CA 1.968 56.844 54.840 0.059 0.000 0.772 805 L CB -0.592 41.485 42.059 0.030 0.000 0.892 805 L HN 0.088 nan 8.230 nan 0.000 0.435 806 R N -0.140 120.370 120.500 0.016 0.000 2.237 806 R HA 0.207 4.546 4.340 -0.001 0.000 0.219 806 R C 0.775 177.085 176.300 0.017 0.000 1.080 806 R CA 0.513 56.618 56.100 0.009 0.000 0.995 806 R CB -0.521 29.776 30.300 -0.005 0.000 0.875 806 R HN 0.657 nan 8.270 nan 0.000 0.462 807 G N 0.609 109.432 108.800 0.039 0.000 2.716 807 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.686 807 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.686 807 G C -0.610 174.314 174.900 0.041 0.000 1.337 807 G CA -0.975 44.161 45.100 0.060 0.000 0.829 807 G HN 0.043 nan 8.290 nan 0.000 0.599 808 L N 1.496 122.767 121.223 0.080 0.000 2.357 808 L HA 0.538 4.877 4.340 -0.001 0.000 0.273 808 L C 1.712 178.621 176.870 0.065 0.000 1.080 808 L CA -0.278 54.613 54.840 0.085 0.000 0.803 808 L CB 1.340 43.519 42.059 0.200 0.000 1.174 808 L HN 1.017 nan 8.230 nan 0.000 0.443 809 T N -0.947 113.639 114.554 0.055 0.000 2.813 809 T HA 0.160 4.509 4.350 -0.001 0.000 0.297 809 T C -1.921 172.811 174.700 0.053 0.000 1.036 809 T CA -1.397 60.720 62.100 0.029 0.000 1.044 809 T CB 0.935 69.815 68.868 0.021 0.000 0.993 809 T HN 0.354 nan 8.240 nan 0.000 0.535 810 P HA -0.124 nan 4.420 nan 0.000 0.214 810 P C 1.704 179.015 177.300 0.018 0.000 1.163 810 P CA 1.157 64.271 63.100 0.024 0.000 0.883 810 P CB -0.052 31.598 31.700 -0.083 0.000 0.788 811 Q N 0.297 120.010 119.800 -0.146 0.000 2.047 811 Q HA -0.247 4.092 4.340 -0.001 0.000 0.211 811 Q C 2.086 177.926 176.000 -0.267 0.000 1.005 811 Q CA 2.146 57.768 55.803 -0.301 0.000 0.866 811 Q CB -1.234 27.433 28.738 -0.119 0.000 0.938 811 Q HN 0.435 nan 8.270 nan 0.000 0.414 812 E N -0.424 119.789 120.200 0.022 0.000 2.153 812 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 812 E C 1.639 178.353 176.600 0.190 0.000 0.988 812 E CA 0.832 57.321 56.400 0.147 0.000 0.811 812 E CB -0.271 29.506 29.700 0.128 0.000 0.746 812 E HN 0.281 nan 8.360 nan 0.000 0.466 813 F N 0.857 120.836 119.950 0.047 0.000 2.051 813 F HA -0.225 4.302 4.527 -0.001 0.000 0.296 813 F C 1.966 177.826 175.800 0.100 0.000 1.122 813 F CA 1.425 59.483 58.000 0.097 0.000 1.201 813 F CB -0.499 38.538 39.000 0.062 0.000 0.978 813 F HN -0.048 nan 8.300 nan 0.000 0.472 814 F N 0.233 120.098 119.950 -0.141 0.000 2.065 814 F HA -0.293 4.233 4.527 -0.001 0.000 0.298 814 F C 2.251 178.003 175.800 -0.080 0.000 1.112 814 F CA 2.199 60.074 58.000 -0.210 0.000 1.212 814 F CB -0.779 38.114 39.000 -0.179 0.000 0.975 814 F HN 0.015 nan 8.300 nan 0.000 0.476 815 F N -1.706 118.429 119.950 0.307 0.000 2.269 815 F HA -0.255 4.271 4.527 -0.001 0.000 0.301 815 F C 2.447 178.305 175.800 0.097 0.000 1.082 815 F CA 1.014 59.140 58.000 0.210 0.000 1.360 815 F CB -0.633 38.489 39.000 0.203 0.000 1.041 815 F HN 0.123 nan 8.300 nan 0.000 0.512 816 H N 0.445 119.571 119.070 0.093 0.000 2.436 816 H HA 0.084 4.639 4.556 -0.001 0.000 0.294 816 H C 1.997 177.246 175.328 -0.131 0.000 1.048 816 H CA 0.933 56.979 56.048 -0.002 0.000 1.353 816 H CB -0.184 29.585 29.762 0.012 0.000 1.414 816 H HN 0.107 nan 8.280 nan 0.000 0.536 817 A N 0.871 123.430 122.820 -0.435 0.000 1.877 817 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 817 A C 2.489 179.871 177.584 -0.336 0.000 1.186 817 A CA 1.702 53.417 52.037 -0.536 0.000 0.620 817 A CB -0.729 17.824 19.000 -0.745 0.000 0.822 817 A HN 0.483 nan 8.150 nan 0.000 0.443 818 M N -0.555 118.909 119.600 -0.227 0.000 2.151 818 M HA -0.220 4.259 4.480 -0.001 0.000 0.256 818 M C 2.334 178.614 176.300 -0.034 0.000 1.072 818 M CA 1.885 57.150 55.300 -0.058 0.000 1.090 818 M CB -1.013 31.664 32.600 0.127 0.000 1.294 818 M HN 0.512 nan 8.290 nan 0.000 0.415 819 G N -0.393 108.409 108.800 0.004 0.000 2.442 819 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.219 819 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.219 819 G C 1.443 176.324 174.900 -0.032 0.000 1.141 819 G CA 1.129 46.242 45.100 0.021 0.000 0.763 819 G HN 0.600 nan 8.290 nan 0.000 0.554 820 G N 0.847 109.557 108.800 -0.150 0.000 2.586 820 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.218 820 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.218 820 G C 1.850 176.686 174.900 -0.107 0.000 1.216 820 G CA 1.404 46.388 45.100 -0.193 0.000 0.786 820 G HN 0.470 nan 8.290 nan 0.000 0.583 821 R N 0.864 121.296 120.500 -0.114 0.000 2.103 821 R HA -0.101 4.238 4.340 -0.001 0.000 0.242 821 R C 2.468 178.755 176.300 -0.021 0.000 1.142 821 R CA 2.117 58.174 56.100 -0.072 0.000 0.960 821 R CB -0.661 29.592 30.300 -0.077 0.000 0.858 821 R HN 0.625 nan 8.270 nan 0.000 0.439 822 E N -1.189 119.013 120.200 0.003 0.000 2.070 822 E HA -0.185 4.165 4.350 -0.001 0.000 0.197 822 E C 1.786 178.422 176.600 0.060 0.000 1.004 822 E CA 1.681 58.115 56.400 0.056 0.000 0.805 822 E CB -0.566 29.186 29.700 0.086 0.000 0.744 822 E HN 0.514 nan 8.360 nan 0.000 0.451 823 G N 1.077 109.904 108.800 0.045 0.000 2.408 823 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.217 823 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.217 823 G C 1.615 176.524 174.900 0.015 0.000 1.150 823 G CA 0.675 45.800 45.100 0.042 0.000 0.776 823 G HN 0.233 nan 8.290 nan 0.000 0.542 824 L N 0.055 121.275 121.223 -0.005 0.000 2.046 824 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 824 L C 2.879 179.744 176.870 -0.008 0.000 1.077 824 L CA 0.900 55.732 54.840 -0.014 0.000 0.747 824 L CB -0.327 41.714 42.059 -0.029 0.000 0.896 824 L HN 0.228 nan 8.230 nan 0.000 0.432 825 I N -0.427 120.141 120.570 -0.003 0.000 2.226 825 I HA -0.303 3.867 4.170 -0.001 0.000 0.245 825 I C 1.991 178.104 176.117 -0.007 0.000 1.100 825 I CA 1.226 62.525 61.300 -0.003 0.000 1.374 825 I CB -0.401 37.603 38.000 0.007 0.000 1.057 825 I HN 0.276 nan 8.210 nan 0.000 0.413 826 D N 0.178 120.578 120.400 -0.000 0.000 2.264 826 D HA -0.112 4.528 4.640 -0.001 0.000 0.208 826 D C 2.141 178.436 176.300 -0.009 0.000 0.966 826 D CA 1.208 55.201 54.000 -0.012 0.000 0.864 826 D CB -0.007 40.789 40.800 -0.007 0.000 0.933 826 D HN 0.285 nan 8.370 nan 0.000 0.499 827 T N 0.417 114.969 114.554 -0.004 0.000 2.857 827 T HA -0.031 4.318 4.350 -0.001 0.000 0.266 827 T C 1.875 176.569 174.700 -0.009 0.000 1.048 827 T CA 1.059 63.156 62.100 -0.006 0.000 1.139 827 T CB 0.012 68.877 68.868 -0.005 0.000 0.874 827 T HN 0.146 nan 8.240 nan 0.000 0.455 828 A N 0.590 123.404 122.820 -0.010 0.000 2.209 828 A HA 0.151 4.470 4.320 -0.001 0.000 0.212 828 A C 1.327 178.902 177.584 -0.014 0.000 1.158 828 A CA 0.555 52.585 52.037 -0.012 0.000 0.742 828 A CB -0.088 18.905 19.000 -0.012 0.000 0.790 828 A HN 0.340 nan 8.150 nan 0.000 0.472 829 V N 1.942 121.846 119.914 -0.017 0.000 2.622 829 V HA 0.285 4.404 4.120 -0.001 0.000 0.296 829 V C -0.386 175.700 176.094 -0.014 0.000 1.174 829 V CA 0.203 62.490 62.300 -0.021 0.000 1.391 829 V CB -0.871 30.932 31.823 -0.033 0.000 1.553 829 V HN 0.656 nan 8.190 nan 0.000 0.581 830 K N 0.480 120.876 120.400 -0.006 0.000 0.952 830 K HA -0.092 4.228 4.320 -0.001 0.000 1.060 830 K C -0.437 176.163 176.600 -0.000 0.000 0.518 830 K CA 0.357 56.647 56.287 0.003 0.000 0.758 830 K CB -1.643 30.859 32.500 0.003 0.000 3.537 830 K HN 0.410 nan 8.250 nan 0.000 0.102 831 T N 1.550 116.104 114.554 0.001 0.000 2.382 831 T HA -0.031 4.318 4.350 -0.001 0.000 0.556 831 T C 0.919 175.620 174.700 0.001 0.000 0.888 831 T CA 1.136 63.238 62.100 0.003 0.000 3.764 831 T CB -0.708 68.159 68.868 -0.002 0.000 0.911 831 T HN 1.024 nan 8.240 nan 0.000 0.236 832 A N 1.816 124.640 122.820 0.006 0.000 2.671 832 A HA 0.493 4.812 4.320 -0.001 0.000 0.265 832 A C 1.478 179.096 177.584 0.057 0.000 1.148 832 A CA -0.020 52.033 52.037 0.027 0.000 0.977 832 A CB 0.208 19.224 19.000 0.025 0.000 1.242 832 A HN 0.532 nan 8.150 nan 0.000 0.591 833 E N 0.880 121.102 120.200 0.037 0.000 2.492 833 E HA -0.131 4.219 4.350 -0.001 0.000 0.204 833 E C 1.608 178.287 176.600 0.131 0.000 1.073 833 E CA 1.943 58.384 56.400 0.067 0.000 0.887 833 E CB -0.213 29.501 29.700 0.024 0.000 0.813 833 E HN 0.740 nan 8.360 nan 0.000 0.562 834 T N -6.631 107.980 114.554 0.096 0.000 3.075 834 T HA 0.170 4.519 4.350 -0.001 0.000 0.251 834 T C 1.993 176.720 174.700 0.044 0.000 0.979 834 T CA 0.195 62.329 62.100 0.058 0.000 1.033 834 T CB -0.531 68.346 68.868 0.015 0.000 1.104 834 T HN 0.058 nan 8.240 nan 0.000 0.473 835 G N 0.185 109.015 108.800 0.050 0.000 2.527 835 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.219 835 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.219 835 G C 1.188 176.128 174.900 0.067 0.000 1.117 835 G CA 0.959 46.081 45.100 0.037 0.000 0.759 835 G HN 0.608 nan 8.290 nan 0.000 0.556 836 Y N 0.306 120.598 120.300 -0.014 0.000 2.343 836 Y HA 0.286 4.835 4.550 -0.001 0.000 0.294 836 Y C 2.423 178.319 175.900 -0.007 0.000 1.122 836 Y CA 0.277 58.374 58.100 -0.006 0.000 1.173 836 Y CB 0.003 38.467 38.460 0.007 0.000 1.077 836 Y HN 0.113 nan 8.280 nan 0.000 0.542 837 I N 0.721 121.220 120.570 -0.119 0.000 2.208 837 I HA -0.325 3.845 4.170 -0.001 0.000 0.245 837 I C 2.584 178.585 176.117 -0.193 0.000 1.097 837 I CA 1.748 62.933 61.300 -0.192 0.000 1.363 837 I CB -0.374 37.604 38.000 -0.036 0.000 1.051 837 I HN 0.373 nan 8.210 nan 0.000 0.413 838 Q N 1.274 120.998 119.800 -0.126 0.000 2.167 838 Q HA -0.185 4.154 4.340 -0.001 0.000 0.202 838 Q C 2.233 178.154 176.000 -0.133 0.000 0.970 838 Q CA 1.418 57.155 55.803 -0.110 0.000 0.855 838 Q CB -0.007 28.684 28.738 -0.077 0.000 0.911 838 Q HN 0.478 nan 8.270 nan 0.000 0.438 839 R N -0.450 119.954 120.500 -0.161 0.000 2.148 839 R HA -0.044 4.295 4.340 -0.001 0.000 0.227 839 R C 2.256 178.428 176.300 -0.214 0.000 1.103 839 R CA 0.714 56.713 56.100 -0.168 0.000 0.983 839 R CB 0.054 30.266 30.300 -0.146 0.000 0.874 839 R HN 0.061 nan 8.270 nan 0.000 0.451 840 R N 0.665 120.987 120.500 -0.297 0.000 2.066 840 R HA 0.061 4.401 4.340 -0.001 0.000 0.224 840 R C 2.288 178.484 176.300 -0.172 0.000 1.122 840 R CA 0.838 56.773 56.100 -0.276 0.000 0.974 840 R CB -0.814 29.262 30.300 -0.373 0.000 0.871 840 R HN 0.209 nan 8.270 nan 0.000 0.435 841 L N 0.271 121.404 121.223 -0.150 0.000 1.971 841 L HA -0.226 4.113 4.340 -0.001 0.000 0.215 841 L C 2.451 179.267 176.870 -0.090 0.000 1.072 841 L CA 1.457 56.235 54.840 -0.102 0.000 0.758 841 L CB -0.786 41.220 42.059 -0.090 0.000 0.889 841 L HN -0.057 nan 8.230 nan 0.000 0.433 842 V N -0.151 119.706 119.914 -0.095 0.000 2.250 842 V HA -0.373 3.747 4.120 -0.001 0.000 0.250 842 V C 2.650 178.695 176.094 -0.081 0.000 1.060 842 V CA 1.879 64.130 62.300 -0.082 0.000 1.030 842 V CB -0.635 31.138 31.823 -0.084 0.000 0.643 842 V HN 0.423 nan 8.190 nan 0.000 0.445 843 K N -0.085 120.256 120.400 -0.098 0.000 2.063 843 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 843 K C 2.252 178.808 176.600 -0.073 0.000 1.048 843 K CA 1.709 57.941 56.287 -0.092 0.000 0.928 843 K CB -0.705 31.727 32.500 -0.115 0.000 0.713 843 K HN 0.534 nan 8.250 nan 0.000 0.442 844 A N 0.792 123.570 122.820 -0.071 0.000 1.969 844 A HA -0.064 4.256 4.320 -0.001 0.000 0.218 844 A C 2.092 179.653 177.584 -0.039 0.000 1.169 844 A CA 1.109 53.115 52.037 -0.051 0.000 0.635 844 A CB -0.248 18.725 19.000 -0.045 0.000 0.810 844 A HN 0.207 nan 8.150 nan 0.000 0.445 845 L N -1.722 119.476 121.223 -0.040 0.000 2.556 845 L HA 0.106 4.445 4.340 -0.001 0.000 0.226 845 L C 2.141 178.992 176.870 -0.032 0.000 1.089 845 L CA 0.647 55.470 54.840 -0.028 0.000 0.864 845 L CB -0.286 41.761 42.059 -0.021 0.000 1.067 845 L HN 0.498 nan 8.230 nan 0.000 0.477 846 E N 1.595 121.770 120.200 -0.042 0.000 2.208 846 E HA -0.303 4.047 4.350 -0.001 0.000 0.202 846 E C 1.241 177.817 176.600 -0.041 0.000 1.014 846 E CA 1.981 58.353 56.400 -0.047 0.000 0.819 846 E CB 0.107 29.775 29.700 -0.054 0.000 0.735 846 E HN 0.611 nan 8.360 nan 0.000 0.469 847 D N -0.343 120.038 120.400 -0.032 0.000 2.350 847 D HA -0.023 4.616 4.640 -0.001 0.000 0.213 847 D C 0.450 176.742 176.300 -0.013 0.000 1.031 847 D CA -0.171 53.815 54.000 -0.023 0.000 0.861 847 D CB -0.228 40.561 40.800 -0.017 0.000 0.926 847 D HN 0.163 nan 8.370 nan 0.000 0.520 848 I N 1.269 121.829 120.570 -0.017 0.000 2.618 848 I HA 0.103 4.273 4.170 -0.001 0.000 0.284 848 I C 0.499 176.597 176.117 -0.032 0.000 1.146 848 I CA 0.319 61.612 61.300 -0.011 0.000 1.425 848 I CB 0.590 38.586 38.000 -0.007 0.000 1.383 848 I HN 0.050 nan 8.210 nan 0.000 0.562 849 M N 6.335 125.928 119.600 -0.012 0.000 2.520 849 M HA 0.583 5.063 4.480 -0.001 0.000 0.283 849 M C -1.757 174.515 176.300 -0.047 0.000 1.237 849 M CA -0.696 54.561 55.300 -0.072 0.000 0.885 849 M CB 1.896 34.436 32.600 -0.100 0.000 1.727 849 M HN 0.143 nan 8.290 nan 0.000 0.468 850 V N 3.911 123.723 119.914 -0.170 0.000 2.498 850 V HA 0.409 4.529 4.120 -0.001 0.000 0.279 850 V C 0.004 175.983 176.094 -0.191 0.000 1.048 850 V CA -0.348 61.869 62.300 -0.138 0.000 0.967 850 V CB 0.898 32.584 31.823 -0.230 0.000 0.988 850 V HN 0.794 nan 8.190 nan 0.000 0.473 851 H N 2.484 121.476 119.070 -0.130 0.000 2.615 851 H HA 0.283 4.838 4.556 -0.001 0.000 0.346 851 H C -0.079 175.179 175.328 -0.116 0.000 1.200 851 H CA -0.403 55.582 56.048 -0.105 0.000 1.264 851 H CB 1.579 31.329 29.762 -0.021 0.000 1.699 851 H HN 0.614 nan 8.280 nan 0.000 0.567 852 Y N 0.496 120.858 120.300 0.104 0.000 2.680 852 Y HA -0.142 4.407 4.550 -0.001 0.000 0.303 852 Y C 1.320 177.247 175.900 0.046 0.000 1.166 852 Y CA 0.728 58.855 58.100 0.045 0.000 1.344 852 Y CB 0.103 38.581 38.460 0.030 0.000 1.002 852 Y HN 0.550 nan 8.280 nan 0.000 0.537 853 D N -2.367 118.145 120.400 0.186 0.000 2.388 853 D HA -0.002 4.637 4.640 -0.001 0.000 0.221 853 D C 0.303 176.657 176.300 0.090 0.000 1.133 853 D CA 0.011 54.084 54.000 0.122 0.000 0.831 853 D CB -0.630 40.231 40.800 0.102 0.000 0.962 853 D HN 0.138 nan 8.370 nan 0.000 0.502 854 N N -0.256 118.487 118.700 0.071 0.000 2.900 854 N HA -0.175 4.565 4.740 -0.001 0.000 0.240 854 N C -0.136 175.420 175.510 0.076 0.000 0.953 854 N CA 1.604 54.690 53.050 0.060 0.000 0.950 854 N CB -1.792 36.734 38.487 0.066 0.000 1.102 854 N HN 0.637 nan 8.380 nan 0.000 0.593 855 T N -0.618 113.973 114.554 0.062 0.000 2.899 855 T HA 0.425 4.775 4.350 -0.001 0.000 0.295 855 T C 0.718 175.436 174.700 0.031 0.000 1.033 855 T CA -0.026 62.084 62.100 0.016 0.000 1.084 855 T CB 1.625 70.440 68.868 -0.088 0.000 0.979 855 T HN 0.230 nan 8.240 nan 0.000 0.532 856 T N 1.480 116.042 114.554 0.013 0.000 2.799 856 T HA 0.655 5.005 4.350 -0.001 0.000 0.286 856 T C -0.253 174.421 174.700 -0.042 0.000 0.973 856 T CA -1.162 60.952 62.100 0.022 0.000 1.035 856 T CB 0.705 69.609 68.868 0.060 0.000 0.932 856 T HN 0.761 nan 8.240 nan 0.000 0.469 857 R N 2.333 122.825 120.500 -0.012 0.000 2.808 857 R HA 0.493 4.832 4.340 -0.001 0.000 0.272 857 R C -0.470 175.818 176.300 -0.020 0.000 0.995 857 R CA -0.985 55.060 56.100 -0.092 0.000 0.917 857 R CB 1.475 31.616 30.300 -0.264 0.000 1.217 857 R HN 0.838 nan 8.270 nan 0.000 0.471 858 N N -0.847 117.828 118.700 -0.041 0.000 2.538 858 N HA 0.042 4.782 4.740 -0.001 0.000 0.292 858 N C 0.682 176.189 175.510 -0.004 0.000 1.262 858 N CA -0.477 52.565 53.050 -0.013 0.000 0.976 858 N CB 0.215 38.689 38.487 -0.021 0.000 1.161 858 N HN 0.522 nan 8.380 nan 0.000 0.598 859 S N -0.835 114.866 115.700 0.002 0.000 2.423 859 S HA -0.068 4.401 4.470 -0.001 0.000 0.231 859 S C 1.724 176.324 174.600 -0.001 0.000 1.014 859 S CA 0.605 58.811 58.200 0.010 0.000 0.965 859 S CB -0.853 62.350 63.200 0.005 0.000 0.785 859 S HN 0.522 nan 8.310 nan 0.000 0.495 860 L N 0.978 122.193 121.223 -0.014 0.000 2.376 860 L HA 0.237 4.576 4.340 -0.001 0.000 0.219 860 L C 1.980 178.828 176.870 -0.036 0.000 1.133 860 L CA 0.579 55.408 54.840 -0.018 0.000 0.816 860 L CB -0.987 41.062 42.059 -0.017 0.000 0.933 860 L HN 0.591 nan 8.230 nan 0.000 0.449 861 G N -0.458 108.307 108.800 -0.059 0.000 2.134 861 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.209 861 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.209 861 G C -0.125 174.699 174.900 -0.126 0.000 0.993 861 G CA -0.453 44.579 45.100 -0.114 0.000 0.669 861 G HN 0.297 nan 8.290 nan 0.000 0.519 862 N N 0.348 118.990 118.700 -0.096 0.000 2.520 862 N HA 0.390 5.130 4.740 -0.001 0.000 0.273 862 N C 0.700 176.122 175.510 -0.146 0.000 1.155 862 N CA -0.115 52.876 53.050 -0.099 0.000 0.967 862 N CB 1.616 40.066 38.487 -0.061 0.000 1.092 862 N HN 0.137 nan 8.380 nan 0.000 0.457 863 V N 3.474 123.266 119.914 -0.203 0.000 2.585 863 V HA 0.059 4.178 4.120 -0.001 0.000 0.296 863 V C 1.562 177.504 176.094 -0.253 0.000 1.035 863 V CA 0.350 62.449 62.300 -0.334 0.000 1.084 863 V CB 0.353 31.789 31.823 -0.646 0.000 0.953 863 V HN 0.625 nan 8.190 nan 0.000 0.483 864 I N 2.300 122.744 120.570 -0.210 0.000 3.971 864 I HA 0.168 4.337 4.170 -0.001 0.000 0.303 864 I C 0.580 176.658 176.117 -0.066 0.000 1.233 864 I CA 0.379 61.619 61.300 -0.100 0.000 1.346 864 I CB 0.538 38.511 38.000 -0.046 0.000 1.273 864 I HN 0.606 nan 8.210 nan 0.000 0.448 865 Q N -0.432 119.317 119.800 -0.084 0.000 2.331 865 Q HA 0.324 4.664 4.340 -0.001 0.000 0.272 865 Q C -0.483 175.477 176.000 -0.066 0.000 1.062 865 Q CA -0.583 55.225 55.803 0.008 0.000 0.806 865 Q CB 2.274 31.062 28.738 0.082 0.000 1.312 865 Q HN 0.001 nan 8.270 nan 0.000 0.431 866 F N 0.790 120.760 119.950 0.034 0.000 2.293 866 F HA 0.092 4.619 4.527 -0.001 0.000 0.300 866 F C 0.948 176.775 175.800 0.045 0.000 1.086 866 F CA 0.979 58.998 58.000 0.031 0.000 1.375 866 F CB 0.488 39.500 39.000 0.019 0.000 1.045 866 F HN 0.410 nan 8.300 nan 0.000 0.516 867 I N -1.610 119.077 120.570 0.196 0.000 2.827 867 I HA 0.164 4.333 4.170 -0.001 0.000 0.298 867 I C -1.318 174.893 176.117 0.155 0.000 1.235 867 I CA -1.257 60.133 61.300 0.151 0.000 1.021 867 I CB 1.749 39.827 38.000 0.130 0.000 1.259 867 I HN -0.257 nan 8.210 nan 0.000 0.427 868 Y N 6.169 126.487 120.300 0.030 0.000 2.526 868 Y HA 0.394 4.944 4.550 -0.001 0.000 0.330 868 Y C 1.133 177.051 175.900 0.029 0.000 1.156 868 Y CA 0.671 58.781 58.100 0.016 0.000 1.419 868 Y CB 0.762 39.222 38.460 -0.001 0.000 1.250 868 Y HN 0.799 nan 8.280 nan 0.000 0.540 869 G N 4.139 112.619 108.800 -0.534 0.000 2.180 869 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.263 869 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.263 869 G C 0.522 175.360 174.900 -0.102 0.000 0.989 869 G CA 0.713 45.531 45.100 -0.470 0.000 0.692 869 G HN 0.950 nan 8.290 nan 0.000 0.526 870 E N -1.883 118.301 120.200 -0.026 0.000 3.799 870 E HA -0.305 4.044 4.350 -0.001 0.000 0.320 870 E C 0.942 177.552 176.600 0.017 0.000 0.760 870 E CA 1.620 58.037 56.400 0.029 0.000 1.153 870 E CB -0.923 28.803 29.700 0.043 0.000 1.589 870 E HN 0.860 nan 8.360 nan 0.000 0.448 871 D N -1.514 118.882 120.400 -0.006 0.000 2.516 871 D HA 0.187 4.826 4.640 -0.001 0.000 0.241 871 D C 1.190 177.498 176.300 0.015 0.000 1.246 871 D CA 0.652 54.664 54.000 0.019 0.000 0.808 871 D CB 0.062 40.876 40.800 0.023 0.000 1.147 871 D HN 0.283 nan 8.370 nan 0.000 0.527 872 G N 0.668 109.478 108.800 0.016 0.000 2.184 872 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.264 872 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.264 872 G C 0.219 175.143 174.900 0.039 0.000 0.975 872 G CA 0.716 45.851 45.100 0.057 0.000 0.642 872 G HN 0.293 nan 8.290 nan 0.000 0.536 873 M N 0.701 120.299 119.600 -0.003 0.000 2.444 873 M HA 0.364 4.843 4.480 -0.001 0.000 0.319 873 M C -0.053 176.316 176.300 0.115 0.000 1.183 873 M CA -0.724 54.560 55.300 -0.026 0.000 1.032 873 M CB 1.030 33.589 32.600 -0.068 0.000 1.569 873 M HN 0.176 nan 8.290 nan 0.000 0.468 874 D N 1.234 121.691 120.400 0.096 0.000 2.277 874 D HA 0.323 4.962 4.640 -0.001 0.000 0.249 874 D C 0.503 176.936 176.300 0.222 0.000 1.134 874 D CA -0.019 54.105 54.000 0.206 0.000 0.863 874 D CB 1.588 42.485 40.800 0.162 0.000 1.143 874 D HN 0.698 nan 8.370 nan 0.000 0.458 875 A N 3.624 126.580 122.820 0.228 0.000 2.125 875 A HA -0.039 4.280 4.320 -0.001 0.000 0.219 875 A C 1.855 179.554 177.584 0.191 0.000 1.156 875 A CA 1.447 53.596 52.037 0.186 0.000 0.671 875 A CB -0.138 18.973 19.000 0.185 0.000 0.794 875 A HN 0.622 nan 8.150 nan 0.000 0.459 876 A N -1.589 121.347 122.820 0.193 0.000 2.235 876 A HA 0.041 4.361 4.320 -0.001 0.000 0.208 876 A C 1.111 178.656 177.584 -0.065 0.000 1.172 876 A CA 0.429 52.501 52.037 0.058 0.000 0.786 876 A CB -0.484 18.505 19.000 -0.017 0.000 0.804 876 A HN 0.669 nan 8.150 nan 0.000 0.479 877 H N -1.269 117.842 119.070 0.067 0.000 2.492 877 H HA 0.454 5.010 4.556 -0.001 0.000 0.264 877 H C -1.050 174.327 175.328 0.082 0.000 1.150 877 H CA -0.112 55.974 56.048 0.064 0.000 0.962 877 H CB 0.285 30.054 29.762 0.011 0.000 1.766 877 H HN 0.294 nan 8.280 nan 0.000 0.589 878 I N 2.346 123.040 120.570 0.206 0.000 2.582 878 I HA 0.171 4.341 4.170 -0.001 0.000 0.292 878 I C -1.001 175.238 176.117 0.204 0.000 1.066 878 I CA -0.570 60.844 61.300 0.189 0.000 1.053 878 I CB 2.441 40.544 38.000 0.173 0.000 1.241 878 I HN 0.261 nan 8.210 nan 0.000 0.421 879 E N 5.587 125.890 120.200 0.171 0.000 2.372 879 E HA 0.330 4.679 4.350 -0.001 0.000 0.279 879 E C -1.395 175.253 176.600 0.080 0.000 0.946 879 E CA -1.194 55.277 56.400 0.118 0.000 0.769 879 E CB 1.827 31.543 29.700 0.027 0.000 1.230 879 E HN 0.284 nan 8.360 nan 0.000 0.442 880 K N 1.752 122.165 120.400 0.022 0.000 2.466 880 K HA -0.013 4.306 4.320 -0.001 0.000 0.278 880 K C -0.590 176.004 176.600 -0.010 0.000 1.048 880 K CA 0.897 57.171 56.287 -0.023 0.000 1.088 880 K CB 0.450 32.888 32.500 -0.104 0.000 0.884 880 K HN 0.407 nan 8.250 nan 0.000 0.478 881 Q N 1.262 121.074 119.800 0.021 0.000 2.416 881 Q HA 0.181 4.520 4.340 -0.001 0.000 0.281 881 Q C -1.262 174.753 176.000 0.025 0.000 1.067 881 Q CA -0.798 55.027 55.803 0.036 0.000 0.809 881 Q CB 2.271 31.064 28.738 0.092 0.000 1.418 881 Q HN 0.577 nan 8.270 nan 0.000 0.411 882 S N 1.677 117.391 115.700 0.023 0.000 2.475 882 S HA 0.404 4.873 4.470 -0.001 0.000 0.281 882 S C -0.469 174.164 174.600 0.055 0.000 1.198 882 S CA -0.575 57.635 58.200 0.017 0.000 1.063 882 S CB 0.133 63.339 63.200 0.011 0.000 0.972 882 S HN 0.499 nan 8.310 nan 0.000 0.486 883 L N 5.609 126.870 121.223 0.062 0.000 2.356 883 L HA 0.267 4.606 4.340 -0.001 0.000 0.282 883 L C 0.836 177.771 176.870 0.109 0.000 1.132 883 L CA -0.516 54.377 54.840 0.088 0.000 0.923 883 L CB 0.269 42.384 42.059 0.093 0.000 1.278 883 L HN 0.730 nan 8.230 nan 0.000 0.436 884 D N 0.525 121.005 120.400 0.133 0.000 2.077 884 D HA -0.183 4.457 4.640 -0.001 0.000 0.193 884 D C 1.881 178.333 176.300 0.254 0.000 0.989 884 D CA 1.471 55.579 54.000 0.180 0.000 0.831 884 D CB 0.049 40.976 40.800 0.212 0.000 0.979 884 D HN 0.466 nan 8.370 nan 0.000 0.449 885 T N 0.796 115.522 114.554 0.286 0.000 3.075 885 T HA -0.278 4.071 4.350 -0.001 0.000 0.247 885 T C 1.794 176.658 174.700 0.273 0.000 1.003 885 T CA 1.361 63.645 62.100 0.306 0.000 1.182 885 T CB -0.368 68.587 68.868 0.146 0.000 0.800 885 T HN 0.209 nan 8.240 nan 0.000 0.510 886 I N -0.979 119.718 120.570 0.211 0.000 2.867 886 I HA 0.274 4.443 4.170 -0.001 0.000 0.265 886 I C 1.368 177.623 176.117 0.230 0.000 1.162 886 I CA 0.435 61.849 61.300 0.190 0.000 1.471 886 I CB 0.007 38.107 38.000 0.166 0.000 1.123 886 I HN 0.275 nan 8.210 nan 0.000 0.440 887 G N -0.158 108.769 108.800 0.211 0.000 2.535 887 G HA2 0.501 4.460 3.960 -0.001 0.000 0.303 887 G HA3 0.501 4.460 3.960 -0.001 0.000 0.303 887 G C -0.175 174.848 174.900 0.206 0.000 1.237 887 G CA 0.129 45.362 45.100 0.221 0.000 0.986 887 G HN 0.606 nan 8.290 nan 0.000 0.494 888 G N -1.211 107.694 108.800 0.175 0.000 2.814 888 G HA2 0.248 4.207 3.960 -0.001 0.000 0.677 888 G HA3 0.248 4.207 3.960 -0.001 0.000 0.677 888 G C 0.353 175.316 174.900 0.106 0.000 1.429 888 G CA 0.253 45.432 45.100 0.132 0.000 0.868 888 G HN 1.929 nan 8.290 nan 0.000 0.553 889 S N -0.257 115.491 115.700 0.080 0.000 2.626 889 S HA 0.460 4.929 4.470 -0.001 0.000 0.257 889 S C 0.977 175.632 174.600 0.092 0.000 1.288 889 S CA 0.591 58.822 58.200 0.052 0.000 0.980 889 S CB 1.057 64.282 63.200 0.041 0.000 0.975 889 S HN 0.635 nan 8.310 nan 0.000 0.577 890 D N 0.930 121.365 120.400 0.058 0.000 2.149 890 D HA 0.051 4.690 4.640 -0.001 0.000 0.201 890 D C 2.230 178.636 176.300 0.175 0.000 0.972 890 D CA 1.512 55.568 54.000 0.094 0.000 0.835 890 D CB -1.036 39.777 40.800 0.022 0.000 0.966 890 D HN 0.640 nan 8.370 nan 0.000 0.476 891 A N 1.364 124.246 122.820 0.104 0.000 1.892 891 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 891 A C 2.337 179.979 177.584 0.096 0.000 1.188 891 A CA 2.505 54.592 52.037 0.082 0.000 0.631 891 A CB -0.847 18.181 19.000 0.046 0.000 0.822 891 A HN 0.248 nan 8.150 nan 0.000 0.447 892 A N -1.501 121.383 122.820 0.107 0.000 1.933 892 A HA -0.026 4.294 4.320 -0.001 0.000 0.218 892 A C 2.080 179.744 177.584 0.134 0.000 1.175 892 A CA 1.595 53.687 52.037 0.091 0.000 0.628 892 A CB -0.642 18.412 19.000 0.090 0.000 0.814 892 A HN 0.757 nan 8.150 nan 0.000 0.444 893 F N 0.556 120.558 119.950 0.087 0.000 2.128 893 F HA -0.059 4.467 4.527 -0.001 0.000 0.295 893 F C 2.193 178.144 175.800 0.251 0.000 1.100 893 F CA 1.921 60.041 58.000 0.199 0.000 1.260 893 F CB -0.235 38.888 39.000 0.206 0.000 1.009 893 F HN 0.365 nan 8.300 nan 0.000 0.476 894 E N 0.850 121.308 120.200 0.430 0.000 2.038 894 E HA -0.326 4.024 4.350 -0.001 0.000 0.195 894 E C 2.274 178.852 176.600 -0.037 0.000 1.000 894 E CA 1.951 58.497 56.400 0.244 0.000 0.803 894 E CB -0.370 29.443 29.700 0.188 0.000 0.750 894 E HN 0.428 nan 8.360 nan 0.000 0.448 895 K N 0.110 120.480 120.400 -0.049 0.000 2.211 895 K HA -0.172 4.147 4.320 -0.001 0.000 0.204 895 K C 2.325 178.811 176.600 -0.189 0.000 1.047 895 K CA 1.190 57.414 56.287 -0.105 0.000 0.935 895 K CB -0.019 32.444 32.500 -0.061 0.000 0.728 895 K HN 0.014 nan 8.250 nan 0.000 0.452 896 R N -1.100 119.221 120.500 -0.298 0.000 2.161 896 R HA -0.033 4.306 4.340 -0.001 0.000 0.213 896 R C 0.982 176.846 176.300 -0.727 0.000 1.055 896 R CA 1.117 56.873 56.100 -0.573 0.000 0.996 896 R CB 0.230 30.025 30.300 -0.842 0.000 0.901 896 R HN 0.325 nan 8.270 nan 0.000 0.456 897 Y N -1.316 118.823 120.300 -0.267 0.000 2.512 897 Y HA 0.206 4.755 4.550 -0.001 0.000 0.268 897 Y C 0.530 176.317 175.900 -0.188 0.000 1.102 897 Y CA -0.610 57.346 58.100 -0.240 0.000 1.261 897 Y CB 0.581 38.809 38.460 -0.386 0.000 1.250 897 Y HN -0.177 nan 8.280 nan 0.000 0.506 898 R N 1.633 122.026 120.500 -0.178 0.000 2.389 898 R HA 0.396 4.735 4.340 -0.001 0.000 0.295 898 R C -1.472 174.689 176.300 -0.231 0.000 1.075 898 R CA 0.125 55.965 56.100 -0.433 0.000 1.005 898 R CB 0.494 30.422 30.300 -0.620 0.000 0.987 898 R HN -0.120 nan 8.270 nan 0.000 0.452 899 V N 4.807 124.607 119.914 -0.191 0.000 2.444 899 V HA 0.297 4.416 4.120 -0.001 0.000 0.294 899 V C -0.902 175.134 176.094 -0.097 0.000 1.022 899 V CA -0.692 61.544 62.300 -0.106 0.000 0.850 899 V CB 1.643 33.423 31.823 -0.072 0.000 0.992 899 V HN 0.812 nan 8.190 nan 0.000 0.426 900 D N 4.330 124.697 120.400 -0.055 0.000 2.378 900 D HA 0.324 4.963 4.640 -0.001 0.000 0.265 900 D C 0.818 177.106 176.300 -0.020 0.000 1.229 900 D CA -0.399 53.579 54.000 -0.036 0.000 0.914 900 D CB 1.310 42.099 40.800 -0.018 0.000 1.140 900 D HN 0.385 nan 8.370 nan 0.000 0.516 901 L N 2.008 123.215 121.223 -0.028 0.000 2.349 901 L HA -0.072 4.267 4.340 -0.001 0.000 0.220 901 L C 1.778 178.634 176.870 -0.023 0.000 1.130 901 L CA 0.839 55.662 54.840 -0.028 0.000 0.791 901 L CB -0.121 41.922 42.059 -0.028 0.000 0.918 901 L HN 0.420 nan 8.230 nan 0.000 0.444 902 L N -0.722 120.491 121.223 -0.017 0.000 2.629 902 L HA 0.152 4.491 4.340 -0.001 0.000 0.230 902 L C 0.469 177.332 176.870 -0.012 0.000 1.151 902 L CA -0.036 54.796 54.840 -0.014 0.000 0.924 902 L CB -0.327 41.727 42.059 -0.009 0.000 1.137 902 L HN 0.235 nan 8.230 nan 0.000 0.457 903 N N 0.022 118.713 118.700 -0.014 0.000 2.410 903 N HA 0.071 4.811 4.740 -0.001 0.000 0.287 903 N C 0.921 176.394 175.510 -0.062 0.000 1.044 903 N CA 0.006 53.041 53.050 -0.024 0.000 0.881 903 N CB 1.929 40.428 38.487 0.019 0.000 1.405 903 N HN 0.002 nan 8.380 nan 0.000 0.490 904 T N -0.361 114.147 114.554 -0.076 0.000 3.025 904 T HA -0.054 4.295 4.350 -0.001 0.000 0.270 904 T C 0.570 175.186 174.700 -0.139 0.000 1.126 904 T CA 1.065 63.112 62.100 -0.088 0.000 1.105 904 T CB 0.151 68.975 68.868 -0.074 0.000 0.884 904 T HN 0.400 nan 8.240 nan 0.000 0.522 905 D N 0.401 120.658 120.400 -0.238 0.000 2.380 905 D HA 0.032 4.671 4.640 -0.001 0.000 0.212 905 D C 1.036 177.035 176.300 -0.502 0.000 1.021 905 D CA 0.626 54.383 54.000 -0.404 0.000 0.884 905 D CB 0.064 40.503 40.800 -0.602 0.000 1.001 905 D HN 0.521 nan 8.370 nan 0.000 0.506 906 H N -0.165 118.869 119.070 -0.060 0.000 2.486 906 H HA 0.199 4.754 4.556 -0.001 0.000 0.284 906 H C 0.613 175.890 175.328 -0.086 0.000 1.103 906 H CA -0.040 55.961 56.048 -0.079 0.000 1.089 906 H CB 0.373 30.082 29.762 -0.089 0.000 1.603 906 H HN -0.041 nan 8.280 nan 0.000 0.557 907 T N 0.258 114.801 114.554 -0.018 0.000 2.852 907 T HA 0.448 4.798 4.350 -0.001 0.000 0.281 907 T C 0.361 175.034 174.700 -0.045 0.000 0.993 907 T CA -0.598 61.482 62.100 -0.034 0.000 0.933 907 T CB 0.662 69.502 68.868 -0.046 0.000 1.187 907 T HN 0.125 nan 8.240 nan 0.000 0.559 908 L N 2.296 123.488 121.223 -0.052 0.000 2.276 908 L HA 0.336 4.675 4.340 -0.001 0.000 0.286 908 L C 0.102 176.938 176.870 -0.056 0.000 1.061 908 L CA -0.657 54.148 54.840 -0.059 0.000 0.807 908 L CB 1.045 43.065 42.059 -0.065 0.000 1.177 908 L HN 0.726 nan 8.230 nan 0.000 0.429 909 D N 5.671 126.036 120.400 -0.058 0.000 2.434 909 D HA 0.011 4.650 4.640 -0.001 0.000 0.252 909 D C -1.212 175.058 176.300 -0.049 0.000 1.185 909 D CA -0.911 53.057 54.000 -0.052 0.000 0.886 909 D CB 1.043 41.813 40.800 -0.051 0.000 1.148 909 D HN 0.265 nan 8.370 nan 0.000 0.483 910 P HA -0.280 nan 4.420 nan 0.000 0.219 910 P C 1.008 178.285 177.300 -0.038 0.000 1.149 910 P CA 1.259 64.335 63.100 -0.039 0.000 0.835 910 P CB -0.048 31.632 31.700 -0.034 0.000 0.778 911 S N -0.575 115.102 115.700 -0.038 0.000 2.414 911 S HA -0.033 4.437 4.470 -0.001 0.000 0.227 911 S C 1.929 176.503 174.600 -0.043 0.000 1.022 911 S CA 0.503 58.682 58.200 -0.035 0.000 0.958 911 S CB -1.501 61.681 63.200 -0.029 0.000 0.797 911 S HN 0.125 nan 8.310 nan 0.000 0.493 912 L N 0.511 121.702 121.223 -0.054 0.000 2.633 912 L HA 0.309 4.649 4.340 -0.001 0.000 0.235 912 L C 0.006 176.834 176.870 -0.070 0.000 1.163 912 L CA 0.122 54.921 54.840 -0.068 0.000 0.859 912 L CB -0.334 41.677 42.059 -0.080 0.000 0.973 912 L HN 0.293 nan 8.230 nan 0.000 0.451 913 L N -1.833 119.355 121.223 -0.058 0.000 2.643 913 L HA 0.147 4.486 4.340 -0.001 0.000 0.257 913 L C 0.605 177.447 176.870 -0.046 0.000 0.922 913 L CA -0.158 54.646 54.840 -0.059 0.000 0.909 913 L CB 1.606 43.625 42.059 -0.066 0.000 1.424 913 L HN -0.130 nan 8.230 nan 0.000 0.422 914 E N 0.376 120.550 120.200 -0.042 0.000 2.106 914 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 914 E C 0.935 177.517 176.600 -0.031 0.000 0.984 914 E CA 1.478 57.859 56.400 -0.032 0.000 0.806 914 E CB 0.240 29.923 29.700 -0.028 0.000 0.750 914 E HN 0.700 nan 8.360 nan 0.000 0.458 915 S N -0.558 115.120 115.700 -0.036 0.000 2.634 915 S HA 0.133 4.603 4.470 -0.001 0.000 0.221 915 S C 1.737 176.315 174.600 -0.036 0.000 0.952 915 S CA 0.083 58.263 58.200 -0.033 0.000 0.930 915 S CB 0.648 63.827 63.200 -0.034 0.000 0.780 915 S HN 0.252 nan 8.310 nan 0.000 0.498 916 G N 2.545 111.322 108.800 -0.039 0.000 2.462 916 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.220 916 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.220 916 G C 1.558 176.436 174.900 -0.036 0.000 1.121 916 G CA 1.135 46.211 45.100 -0.041 0.000 0.758 916 G HN 0.778 nan 8.290 nan 0.000 0.559 917 S N -0.394 115.288 115.700 -0.031 0.000 2.497 917 S HA 0.138 4.607 4.470 -0.001 0.000 0.218 917 S C 1.671 176.256 174.600 -0.025 0.000 1.023 917 S CA 0.568 58.751 58.200 -0.028 0.000 0.913 917 S CB 0.097 63.282 63.200 -0.025 0.000 0.800 917 S HN 0.417 nan 8.310 nan 0.000 0.505 918 E N 0.373 120.559 120.200 -0.024 0.000 2.472 918 E HA 0.124 4.473 4.350 -0.001 0.000 0.200 918 E C 0.855 177.441 176.600 -0.023 0.000 1.046 918 E CA 0.408 56.795 56.400 -0.022 0.000 0.871 918 E CB -0.059 29.628 29.700 -0.021 0.000 0.806 918 E HN 0.417 nan 8.360 nan 0.000 0.533 919 I N -0.018 120.536 120.570 -0.027 0.000 4.181 919 I HA 0.073 4.243 4.170 -0.001 0.000 0.331 919 I C 0.014 176.115 176.117 -0.028 0.000 1.312 919 I CA -0.318 60.965 61.300 -0.028 0.000 1.146 919 I CB 0.491 38.471 38.000 -0.034 0.000 1.074 919 I HN 0.037 nan 8.210 nan 0.000 0.402 920 L N 1.702 122.908 121.223 -0.028 0.000 2.534 920 L HA 0.431 4.771 4.340 -0.001 0.000 0.271 920 L C 1.212 178.068 176.870 -0.023 0.000 1.178 920 L CA 1.145 55.968 54.840 -0.028 0.000 0.907 920 L CB -0.155 41.886 42.059 -0.030 0.000 1.164 920 L HN 0.465 nan 8.230 nan 0.000 0.482 921 G N 2.624 111.411 108.800 -0.022 0.000 2.175 921 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.244 921 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.244 921 G C 0.263 175.154 174.900 -0.015 0.000 0.982 921 G CA 0.130 45.219 45.100 -0.018 0.000 0.641 921 G HN 0.725 nan 8.290 nan 0.000 0.527 922 D N 1.078 121.468 120.400 -0.017 0.000 2.383 922 D HA 0.347 4.986 4.640 -0.001 0.000 0.245 922 D C 1.983 178.275 176.300 -0.013 0.000 1.263 922 D CA -0.175 53.816 54.000 -0.015 0.000 0.936 922 D CB 0.234 41.023 40.800 -0.018 0.000 1.053 922 D HN 0.297 nan 8.370 nan 0.000 0.507 923 L N 3.422 124.639 121.223 -0.010 0.000 1.989 923 L HA -0.223 4.116 4.340 -0.001 0.000 0.211 923 L C 2.416 179.283 176.870 -0.006 0.000 1.071 923 L CA 1.308 56.144 54.840 -0.007 0.000 0.749 923 L CB -0.179 41.877 42.059 -0.005 0.000 0.890 923 L HN 0.256 nan 8.230 nan 0.000 0.431 924 K N -0.065 120.332 120.400 -0.006 0.000 2.063 924 K HA -0.163 4.156 4.320 -0.001 0.000 0.208 924 K C 2.040 178.636 176.600 -0.006 0.000 1.048 924 K CA 1.295 57.579 56.287 -0.005 0.000 0.928 924 K CB -0.206 32.291 32.500 -0.006 0.000 0.713 924 K HN 0.205 nan 8.250 nan 0.000 0.442 925 L N 0.301 121.519 121.223 -0.009 0.000 2.156 925 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 925 L C 2.487 179.351 176.870 -0.010 0.000 1.095 925 L CA 0.784 55.617 54.840 -0.011 0.000 0.770 925 L CB -0.181 41.867 42.059 -0.017 0.000 0.914 925 L HN 0.204 nan 8.230 nan 0.000 0.439 926 Q N -0.063 119.731 119.800 -0.009 0.000 2.226 926 Q HA -0.146 4.193 4.340 -0.001 0.000 0.204 926 Q C 2.060 178.061 176.000 0.002 0.000 0.975 926 Q CA 1.359 57.158 55.803 -0.007 0.000 0.866 926 Q CB -0.190 28.543 28.738 -0.008 0.000 0.915 926 Q HN 0.272 nan 8.270 nan 0.000 0.440 927 V N 0.006 119.922 119.914 0.003 0.000 2.407 927 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 927 V C 2.116 178.217 176.094 0.011 0.000 1.055 927 V CA 1.557 63.861 62.300 0.008 0.000 1.049 927 V CB -0.421 31.404 31.823 0.004 0.000 0.662 927 V HN 0.364 nan 8.190 nan 0.000 0.455 928 L N -1.036 120.191 121.223 0.006 0.000 2.056 928 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 928 L C 2.266 179.145 176.870 0.015 0.000 1.078 928 L CA 1.459 56.303 54.840 0.007 0.000 0.749 928 L CB -0.323 41.737 42.059 0.001 0.000 0.901 928 L HN 0.279 nan 8.230 nan 0.000 0.433 929 L N -0.892 120.339 121.223 0.012 0.000 2.217 929 L HA -0.164 4.176 4.340 -0.001 0.000 0.211 929 L C 1.936 178.838 176.870 0.054 0.000 1.107 929 L CA 0.668 55.520 54.840 0.020 0.000 0.783 929 L CB -0.430 41.627 42.059 -0.004 0.000 0.919 929 L HN 0.229 nan 8.230 nan 0.000 0.442 930 D N -0.073 120.357 120.400 0.051 0.000 2.183 930 D HA -0.151 4.488 4.640 -0.001 0.000 0.203 930 D C 2.058 178.411 176.300 0.088 0.000 0.969 930 D CA 0.835 54.887 54.000 0.087 0.000 0.842 930 D CB 0.070 40.907 40.800 0.061 0.000 0.957 930 D HN 0.309 nan 8.370 nan 0.000 0.484 931 E N 0.610 120.841 120.200 0.050 0.000 2.058 931 E HA -0.199 4.150 4.350 -0.001 0.000 0.194 931 E C 1.958 178.580 176.600 0.036 0.000 0.997 931 E CA 0.984 57.403 56.400 0.032 0.000 0.801 931 E CB 0.033 29.742 29.700 0.015 0.000 0.746 931 E HN 0.345 nan 8.360 nan 0.000 0.450 932 E N 0.009 120.239 120.200 0.051 0.000 2.047 932 E HA -0.229 4.121 4.350 -0.001 0.000 0.191 932 E C 2.014 178.667 176.600 0.088 0.000 0.987 932 E CA 0.924 57.353 56.400 0.049 0.000 0.799 932 E CB -0.183 29.545 29.700 0.047 0.000 0.752 932 E HN 0.266 nan 8.360 nan 0.000 0.449 933 Y N 1.782 122.081 120.300 -0.002 0.000 2.097 933 Y HA -0.202 4.347 4.550 -0.001 0.000 0.282 933 Y C 2.166 178.095 175.900 0.048 0.000 1.152 933 Y CA 2.061 60.176 58.100 0.025 0.000 1.136 933 Y CB -0.146 38.338 38.460 0.041 0.000 0.975 933 Y HN -0.036 nan 8.280 nan 0.000 0.498 934 K N -0.711 119.704 120.400 0.026 0.000 2.103 934 K HA -0.267 4.052 4.320 -0.001 0.000 0.207 934 K C 2.128 178.673 176.600 -0.092 0.000 1.048 934 K CA 1.543 57.792 56.287 -0.064 0.000 0.930 934 K CB -0.203 32.293 32.500 -0.006 0.000 0.716 934 K HN 0.239 nan 8.250 nan 0.000 0.444 935 Q N 1.271 121.034 119.800 -0.062 0.000 2.079 935 Q HA -0.038 4.301 4.340 -0.001 0.000 0.200 935 Q C 1.888 177.833 176.000 -0.092 0.000 0.974 935 Q CA 1.336 57.095 55.803 -0.073 0.000 0.840 935 Q CB -0.225 28.480 28.738 -0.056 0.000 0.898 935 Q HN 0.296 nan 8.270 nan 0.000 0.430 936 L N -0.929 120.234 121.223 -0.101 0.000 2.012 936 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 936 L C 2.319 179.169 176.870 -0.035 0.000 1.073 936 L CA 1.123 55.910 54.840 -0.089 0.000 0.748 936 L CB -0.684 41.277 42.059 -0.163 0.000 0.891 936 L HN 0.069 nan 8.230 nan 0.000 0.431 937 V N 0.051 119.865 119.914 -0.166 0.000 2.332 937 V HA -0.337 3.782 4.120 -0.001 0.000 0.248 937 V C 2.593 178.570 176.094 -0.195 0.000 1.055 937 V CA 2.019 64.146 62.300 -0.289 0.000 1.038 937 V CB -0.494 31.111 31.823 -0.362 0.000 0.651 937 V HN 0.432 nan 8.190 nan 0.000 0.450 938 K N -0.155 120.167 120.400 -0.130 0.000 2.002 938 K HA -0.222 4.098 4.320 -0.001 0.000 0.209 938 K C 1.929 178.512 176.600 -0.029 0.000 1.048 938 K CA 1.986 58.224 56.287 -0.081 0.000 0.930 938 K CB -0.291 32.158 32.500 -0.085 0.000 0.714 938 K HN 0.424 nan 8.250 nan 0.000 0.438 939 D N 0.147 120.525 120.400 -0.036 0.000 2.116 939 D HA -0.228 4.411 4.640 -0.001 0.000 0.193 939 D C 1.965 178.321 176.300 0.094 0.000 0.998 939 D CA 1.289 55.311 54.000 0.038 0.000 0.836 939 D CB -0.229 40.570 40.800 -0.002 0.000 0.951 939 D HN 0.325 nan 8.370 nan 0.000 0.449 940 R N 1.218 121.712 120.500 -0.011 0.000 2.073 940 R HA -0.155 4.184 4.340 -0.001 0.000 0.234 940 R C 2.136 178.414 176.300 -0.038 0.000 1.134 940 R CA 1.733 57.803 56.100 -0.050 0.000 0.952 940 R CB -0.134 29.994 30.300 -0.287 0.000 0.850 940 R HN 0.088 nan 8.270 nan 0.000 0.433 941 K N -0.253 120.107 120.400 -0.067 0.000 2.063 941 K HA -0.215 4.105 4.320 -0.001 0.000 0.208 941 K C 1.986 178.594 176.600 0.014 0.000 1.048 941 K CA 1.785 58.045 56.287 -0.045 0.000 0.928 941 K CB -0.394 32.072 32.500 -0.057 0.000 0.713 941 K HN 0.263 nan 8.250 nan 0.000 0.442 942 F N 1.590 121.491 119.950 -0.082 0.000 2.146 942 F HA -0.097 4.430 4.527 -0.001 0.000 0.298 942 F C 1.651 177.404 175.800 -0.078 0.000 1.096 942 F CA 1.252 59.201 58.000 -0.084 0.000 1.275 942 F CB -0.120 38.830 39.000 -0.083 0.000 1.008 942 F HN -0.030 nan 8.300 nan 0.000 0.480 943 L N 0.046 121.256 121.223 -0.021 0.000 2.141 943 L HA -0.134 4.205 4.340 -0.001 0.000 0.209 943 L C 2.526 179.361 176.870 -0.058 0.000 1.094 943 L CA 1.028 55.836 54.840 -0.053 0.000 0.763 943 L CB -0.590 41.585 42.059 0.194 0.000 0.908 943 L HN 0.087 nan 8.230 nan 0.000 0.437 944 R N -0.127 120.357 120.500 -0.026 0.000 2.189 944 R HA -0.134 4.205 4.340 -0.001 0.000 0.223 944 R C 1.936 178.187 176.300 -0.081 0.000 1.092 944 R CA 0.879 56.993 56.100 0.023 0.000 0.989 944 R CB -0.010 30.315 30.300 0.043 0.000 0.876 944 R HN 0.478 nan 8.270 nan 0.000 0.457 945 E N -0.197 119.867 120.200 -0.226 0.000 2.033 945 E HA -0.093 4.257 4.350 -0.001 0.000 0.189 945 E C 1.997 178.348 176.600 -0.414 0.000 0.979 945 E CA 0.909 57.138 56.400 -0.284 0.000 0.802 945 E CB 0.162 29.676 29.700 -0.311 0.000 0.763 945 E HN 0.010 nan 8.360 nan 0.000 0.449 946 V N 0.692 120.196 119.914 -0.685 0.000 2.295 946 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 946 V C 0.747 176.253 176.094 -0.980 0.000 1.049 946 V CA 1.437 63.154 62.300 -0.972 0.000 1.024 946 V CB -0.339 30.631 31.823 -1.421 0.000 0.648 946 V HN 0.152 nan 8.190 nan 0.000 0.447 947 F N -0.577 119.196 119.950 -0.295 0.000 2.319 947 F HA 0.394 4.920 4.527 -0.001 0.000 0.356 947 F C 1.002 176.745 175.800 -0.095 0.000 1.100 947 F CA -0.460 57.429 58.000 -0.184 0.000 1.220 947 F CB 0.497 39.433 39.000 -0.108 0.000 1.506 947 F HN -0.195 nan 8.300 nan 0.000 0.512 948 V N -0.102 119.815 119.914 0.004 0.000 2.720 948 V HA -0.251 3.868 4.120 -0.001 0.000 0.256 948 V C 1.771 177.915 176.094 0.084 0.000 1.082 948 V CA 1.823 64.133 62.300 0.017 0.000 1.101 948 V CB -0.552 31.247 31.823 -0.039 0.000 0.693 948 V HN 0.706 nan 8.190 nan 0.000 0.479 949 D N 0.173 120.592 120.400 0.032 0.000 2.342 949 D HA 0.167 4.807 4.640 -0.001 0.000 0.221 949 D C 1.594 177.624 176.300 -0.450 0.000 1.101 949 D CA 0.624 54.590 54.000 -0.057 0.000 0.837 949 D CB 0.212 40.995 40.800 -0.028 0.000 0.938 949 D HN 0.482 nan 8.370 nan 0.000 0.508 950 G N 1.058 109.539 108.800 -0.532 0.000 2.166 950 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.260 950 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.260 950 G C 0.118 174.790 174.900 -0.380 0.000 0.986 950 G CA 0.480 45.050 45.100 -0.883 0.000 0.683 950 G HN 0.610 nan 8.290 nan 0.000 0.527 951 E N 0.201 120.319 120.200 -0.137 0.000 2.465 951 E HA 0.537 4.886 4.350 -0.001 0.000 0.260 951 E C 1.158 177.735 176.600 -0.038 0.000 0.980 951 E CA 0.966 57.310 56.400 -0.094 0.000 0.927 951 E CB 0.632 30.313 29.700 -0.032 0.000 0.934 951 E HN 0.752 nan 8.360 nan 0.000 0.459 952 A N 4.988 127.712 122.820 -0.160 0.000 2.259 952 A HA 0.152 4.472 4.320 -0.001 0.000 0.213 952 A C -0.040 177.454 177.584 -0.151 0.000 1.209 952 A CA -0.318 51.665 52.037 -0.090 0.000 0.910 952 A CB 0.133 19.109 19.000 -0.039 0.000 0.946 952 A HN 0.576 nan 8.150 nan 0.000 0.497 953 N N 0.044 118.497 118.700 -0.412 0.000 2.426 953 N HA 0.413 5.152 4.740 -0.001 0.000 0.257 953 N C -1.780 173.263 175.510 -0.777 0.000 1.002 953 N CA 0.213 53.015 53.050 -0.413 0.000 0.942 953 N CB 0.658 38.946 38.487 -0.333 0.000 1.112 953 N HN 0.433 nan 8.380 nan 0.000 0.499 954 W N 1.907 123.104 121.300 -0.172 0.000 2.998 954 W HA 0.342 5.001 4.660 -0.001 0.000 0.335 954 W C -2.277 174.230 176.519 -0.019 0.000 1.110 954 W CA -1.792 55.474 57.345 -0.131 0.000 1.230 954 W CB 1.496 30.817 29.460 -0.233 0.000 1.405 954 W HN 0.339 nan 8.180 nan 0.000 0.493 955 P HA 0.108 nan 4.420 nan 0.000 0.263 955 P C -0.651 176.798 177.300 0.249 0.000 1.195 955 P CA 0.709 63.945 63.100 0.227 0.000 0.762 955 P CB 0.451 32.318 31.700 0.278 0.000 0.799 956 L N 4.796 126.155 121.223 0.227 0.000 2.469 956 L HA 0.548 4.887 4.340 -0.001 0.000 0.256 956 L C -2.489 174.525 176.870 0.239 0.000 1.006 956 L CA -2.505 52.494 54.840 0.265 0.000 0.832 956 L CB 3.178 45.441 42.059 0.341 0.000 1.421 956 L HN 0.155 nan 8.230 nan 0.000 0.410 957 P HA 0.245 nan 4.420 nan 0.000 0.278 957 P C -0.881 176.545 177.300 0.211 0.000 1.258 957 P CA -0.096 63.066 63.100 0.103 0.000 0.811 957 P CB 1.466 33.094 31.700 -0.120 0.000 1.063 958 V N -0.412 119.607 119.914 0.175 0.000 3.548 958 V HA -0.201 3.918 4.120 -0.001 0.000 0.496 958 V C 0.440 176.697 176.094 0.273 0.000 0.682 958 V CA 0.173 62.616 62.300 0.237 0.000 2.033 958 V CB -1.672 30.344 31.823 0.321 0.000 2.463 958 V HN 0.890 nan 8.190 nan 0.000 0.506 959 N N 4.894 123.696 118.700 0.171 0.000 2.602 959 N HA 0.304 5.043 4.740 -0.001 0.000 0.238 959 N C 1.052 176.628 175.510 0.110 0.000 1.084 959 N CA -0.249 52.876 53.050 0.126 0.000 0.952 959 N CB 0.761 39.288 38.487 0.067 0.000 1.244 959 N HN 0.750 nan 8.380 nan 0.000 0.512 960 I N 2.110 122.749 120.570 0.115 0.000 2.264 960 I HA -0.282 3.887 4.170 -0.001 0.000 0.248 960 I C 2.536 178.664 176.117 0.017 0.000 1.111 960 I CA 0.904 62.245 61.300 0.069 0.000 1.382 960 I CB -0.103 37.925 38.000 0.046 0.000 1.060 960 I HN 0.497 nan 8.210 nan 0.000 0.418 961 R N 0.943 121.454 120.500 0.017 0.000 2.091 961 R HA -0.171 4.168 4.340 -0.001 0.000 0.238 961 R C 2.474 178.778 176.300 0.005 0.000 1.136 961 R CA 1.565 57.657 56.100 -0.013 0.000 0.959 961 R CB -0.062 30.248 30.300 0.017 0.000 0.856 961 R HN 0.296 nan 8.270 nan 0.000 0.437 962 R N -0.077 120.450 120.500 0.045 0.000 2.075 962 R HA 0.025 4.364 4.340 -0.001 0.000 0.226 962 R C 2.365 178.737 176.300 0.119 0.000 1.114 962 R CA 1.255 57.403 56.100 0.079 0.000 0.972 962 R CB -0.203 30.146 30.300 0.081 0.000 0.869 962 R HN 0.264 nan 8.270 nan 0.000 0.437 963 I N 0.844 121.485 120.570 0.118 0.000 2.248 963 I HA -0.342 3.828 4.170 -0.001 0.000 0.248 963 I C 2.203 178.459 176.117 0.231 0.000 1.107 963 I CA 1.598 63.006 61.300 0.179 0.000 1.373 963 I CB -0.352 37.708 38.000 0.100 0.000 1.055 963 I HN 0.185 nan 8.210 nan 0.000 0.418 964 I N 0.310 120.925 120.570 0.074 0.000 2.202 964 I HA -0.288 3.881 4.170 -0.001 0.000 0.242 964 I C 2.628 178.754 176.117 0.016 0.000 1.091 964 I CA 1.376 62.668 61.300 -0.013 0.000 1.368 964 I CB -0.319 37.484 38.000 -0.327 0.000 1.058 964 I HN 0.230 nan 8.210 nan 0.000 0.410 965 Q N 0.467 120.272 119.800 0.008 0.000 2.181 965 Q HA -0.204 4.135 4.340 -0.001 0.000 0.205 965 Q C 1.954 177.932 176.000 -0.037 0.000 0.980 965 Q CA 1.369 57.164 55.803 -0.014 0.000 0.862 965 Q CB -0.224 28.513 28.738 -0.002 0.000 0.905 965 Q HN 0.479 nan 8.270 nan 0.000 0.429 966 N N 0.775 119.553 118.700 0.130 0.000 2.043 966 N HA -0.169 4.570 4.740 -0.001 0.000 0.193 966 N C 1.682 177.190 175.510 -0.003 0.000 1.037 966 N CA 1.606 54.774 53.050 0.196 0.000 0.851 966 N CB -0.530 38.204 38.487 0.412 0.000 1.027 966 N HN 0.287 nan 8.380 nan 0.000 0.422 967 A N 0.972 123.843 122.820 0.085 0.000 1.902 967 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 967 A C 2.141 179.772 177.584 0.078 0.000 1.181 967 A CA 1.411 53.466 52.037 0.030 0.000 0.623 967 A CB -0.702 18.445 19.000 0.245 0.000 0.818 967 A HN 0.355 nan 8.150 nan 0.000 0.443 968 Q N -1.063 118.763 119.800 0.042 0.000 2.226 968 Q HA -0.181 4.158 4.340 -0.001 0.000 0.204 968 Q C 2.198 178.175 176.000 -0.038 0.000 0.975 968 Q CA 1.446 57.277 55.803 0.046 0.000 0.866 968 Q CB -0.011 28.770 28.738 0.071 0.000 0.915 968 Q HN 0.640 nan 8.270 nan 0.000 0.440 969 Q N -1.003 118.699 119.800 -0.164 0.000 2.178 969 Q HA -0.002 4.337 4.340 -0.001 0.000 0.195 969 Q C 2.194 177.989 176.000 -0.342 0.000 0.960 969 Q CA 1.312 56.980 55.803 -0.226 0.000 0.843 969 Q CB -0.496 27.990 28.738 -0.419 0.000 0.927 969 Q HN 0.296 nan 8.270 nan 0.000 0.487 970 T N 1.342 115.635 114.554 -0.434 0.000 2.721 970 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 970 T C 1.129 175.191 174.700 -1.064 0.000 1.038 970 T CA 1.416 63.041 62.100 -0.791 0.000 1.145 970 T CB -0.275 67.925 68.868 -1.114 0.000 0.858 970 T HN 0.164 nan 8.240 nan 0.000 0.459 971 F N -0.139 119.521 119.950 -0.484 0.000 2.664 971 F HA 0.270 4.796 4.527 -0.001 0.000 0.303 971 F C 0.532 176.212 175.800 -0.200 0.000 1.092 971 F CA -0.554 57.243 58.000 -0.338 0.000 1.305 971 F CB -0.146 38.720 39.000 -0.223 0.000 1.054 971 F HN 0.144 nan 8.300 nan 0.000 0.565 972 H N -0.120 118.974 119.070 0.041 0.000 2.677 972 H HA -0.182 4.373 4.556 -0.001 0.000 0.321 972 H C 0.238 175.612 175.328 0.078 0.000 1.171 972 H CA 0.050 56.119 56.048 0.035 0.000 1.139 972 H CB -1.899 27.873 29.762 0.016 0.000 1.515 972 H HN 0.212 nan 8.280 nan 0.000 0.423 973 I N 2.191 122.867 120.570 0.177 0.000 2.680 973 I HA -0.096 4.074 4.170 -0.001 0.000 0.286 973 I C 1.020 177.264 176.117 0.211 0.000 1.144 973 I CA 0.453 61.861 61.300 0.181 0.000 1.370 973 I CB 0.147 38.250 38.000 0.171 0.000 1.420 973 I HN 0.171 nan 8.210 nan 0.000 0.540 974 D N 6.954 127.446 120.400 0.154 0.000 2.357 974 D HA -0.077 4.562 4.640 -0.001 0.000 0.265 974 D C 1.332 177.724 176.300 0.154 0.000 1.334 974 D CA 0.508 54.589 54.000 0.134 0.000 0.984 974 D CB 0.272 41.124 40.800 0.086 0.000 1.077 974 D HN 0.540 nan 8.370 nan 0.000 0.514 975 H N 1.599 120.690 119.070 0.035 0.000 2.518 975 H HA -0.086 4.469 4.556 -0.001 0.000 0.289 975 H C 1.227 176.565 175.328 0.017 0.000 1.051 975 H CA 1.320 57.385 56.048 0.029 0.000 1.280 975 H CB 0.572 30.353 29.762 0.031 0.000 1.380 975 H HN 0.400 nan 8.280 nan 0.000 0.566 976 T N -1.870 112.751 114.554 0.111 0.000 3.206 976 T HA 0.235 4.584 4.350 -0.001 0.000 0.253 976 T C 0.368 175.084 174.700 0.028 0.000 1.042 976 T CA -0.347 61.788 62.100 0.059 0.000 0.931 976 T CB 0.231 69.130 68.868 0.052 0.000 1.029 976 T HN 0.057 nan 8.240 nan 0.000 0.564 977 K N 1.437 121.848 120.400 0.018 0.000 2.426 977 K HA 0.554 4.874 4.320 -0.001 0.000 0.251 977 K C -3.000 173.589 176.600 -0.018 0.000 0.941 977 K CA -2.522 53.766 56.287 0.002 0.000 0.808 977 K CB 1.692 34.198 32.500 0.010 0.000 1.265 977 K HN -0.094 nan 8.250 nan 0.000 0.432 978 P HA -0.069 nan 4.420 nan 0.000 0.264 978 P C -0.889 176.388 177.300 -0.039 0.000 1.173 978 P CA 0.379 63.458 63.100 -0.035 0.000 0.761 978 P CB 0.451 32.133 31.700 -0.029 0.000 0.794 979 S N 1.445 117.112 115.700 -0.054 0.000 2.632 979 S HA 0.126 4.595 4.470 -0.001 0.000 0.271 979 S C 0.910 175.478 174.600 -0.053 0.000 1.260 979 S CA -0.529 57.637 58.200 -0.057 0.000 1.010 979 S CB 0.560 63.712 63.200 -0.080 0.000 0.965 979 S HN 0.618 nan 8.310 nan 0.000 0.534 980 D N 0.307 120.679 120.400 -0.047 0.000 2.340 980 D HA 0.035 4.675 4.640 -0.001 0.000 0.217 980 D C 0.103 176.373 176.300 -0.051 0.000 1.081 980 D CA -0.123 53.852 54.000 -0.041 0.000 0.842 980 D CB -0.076 40.709 40.800 -0.025 0.000 0.934 980 D HN 0.314 nan 8.370 nan 0.000 0.511 981 L N 2.178 123.353 121.223 -0.079 0.000 2.499 981 L HA 0.070 4.409 4.340 -0.001 0.000 0.273 981 L C 1.166 177.972 176.870 -0.108 0.000 1.195 981 L CA 0.158 54.928 54.840 -0.117 0.000 0.882 981 L CB 0.859 42.792 42.059 -0.209 0.000 1.133 981 L HN 0.090 nan 8.230 nan 0.000 0.483 982 T N -0.284 114.215 114.554 -0.092 0.000 2.881 982 T HA 0.276 4.625 4.350 -0.001 0.000 0.278 982 T C 1.188 175.828 174.700 -0.099 0.000 0.982 982 T CA -0.823 61.231 62.100 -0.077 0.000 0.989 982 T CB 1.349 70.189 68.868 -0.047 0.000 1.058 982 T HN 0.322 nan 8.240 nan 0.000 0.529 983 I N 0.798 121.320 120.570 -0.079 0.000 2.208 983 I HA -0.066 4.103 4.170 -0.001 0.000 0.245 983 I C 2.640 178.720 176.117 -0.063 0.000 1.097 983 I CA 1.569 62.823 61.300 -0.077 0.000 1.363 983 I CB -0.509 37.458 38.000 -0.054 0.000 1.051 983 I HN 0.741 nan 8.210 nan 0.000 0.413 984 K N 0.119 120.494 120.400 -0.041 0.000 2.057 984 K HA -0.203 4.116 4.320 -0.001 0.000 0.207 984 K C 1.771 178.367 176.600 -0.008 0.000 1.049 984 K CA 1.578 57.854 56.287 -0.018 0.000 0.931 984 K CB -0.268 32.227 32.500 -0.008 0.000 0.714 984 K HN 0.297 nan 8.250 nan 0.000 0.440 985 D N 0.811 121.197 120.400 -0.024 0.000 2.149 985 D HA -0.192 4.447 4.640 -0.001 0.000 0.194 985 D C 1.843 178.168 176.300 0.042 0.000 1.001 985 D CA 1.287 55.294 54.000 0.012 0.000 0.849 985 D CB -0.141 40.634 40.800 -0.042 0.000 0.939 985 D HN 0.236 nan 8.370 nan 0.000 0.449 986 I N -0.145 120.352 120.570 -0.121 0.000 2.270 986 I HA -0.168 4.001 4.170 -0.001 0.000 0.239 986 I C 2.512 178.667 176.117 0.064 0.000 1.080 986 I CA 0.334 61.537 61.300 -0.161 0.000 1.383 986 I CB -0.280 37.525 38.000 -0.324 0.000 1.097 986 I HN -0.155 nan 8.210 nan 0.000 0.420 987 V N 1.416 121.336 119.914 0.011 0.000 2.233 987 V HA -0.294 3.825 4.120 -0.001 0.000 0.247 987 V C 2.424 178.548 176.094 0.050 0.000 1.050 987 V CA 1.933 64.251 62.300 0.030 0.000 1.010 987 V CB -0.554 31.273 31.823 0.007 0.000 0.637 987 V HN 0.342 nan 8.190 nan 0.000 0.444 988 L N 0.027 121.277 121.223 0.045 0.000 2.046 988 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 988 L C 2.678 179.593 176.870 0.074 0.000 1.077 988 L CA 1.714 56.582 54.840 0.047 0.000 0.747 988 L CB -1.375 40.705 42.059 0.036 0.000 0.896 988 L HN 0.509 nan 8.230 nan 0.000 0.432 989 G N -0.023 108.858 108.800 0.135 0.000 2.491 989 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 989 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 989 G C 1.593 176.566 174.900 0.122 0.000 1.180 989 G CA 1.087 46.295 45.100 0.180 0.000 0.774 989 G HN 0.203 nan 8.290 nan 0.000 0.562 990 V N 0.491 120.504 119.914 0.165 0.000 2.358 990 V HA -0.102 4.018 4.120 -0.001 0.000 0.246 990 V C 2.752 178.865 176.094 0.033 0.000 1.047 990 V CA 2.078 64.437 62.300 0.098 0.000 1.035 990 V CB -0.385 31.516 31.823 0.129 0.000 0.658 990 V HN 0.324 nan 8.190 nan 0.000 0.452 991 K N 0.067 120.485 120.400 0.031 0.000 2.063 991 K HA -0.268 4.051 4.320 -0.001 0.000 0.208 991 K C 1.959 178.556 176.600 -0.004 0.000 1.048 991 K CA 2.120 58.409 56.287 0.005 0.000 0.928 991 K CB -0.287 32.217 32.500 0.007 0.000 0.713 991 K HN 0.579 nan 8.250 nan 0.000 0.442 992 D N 0.535 120.938 120.400 0.006 0.000 2.144 992 D HA -0.168 4.472 4.640 -0.001 0.000 0.200 992 D C 1.846 178.134 176.300 -0.020 0.000 0.978 992 D CA 0.616 54.614 54.000 -0.004 0.000 0.833 992 D CB 0.070 40.873 40.800 0.006 0.000 0.961 992 D HN 0.054 nan 8.370 nan 0.000 0.470 993 L N 0.496 121.704 121.223 -0.025 0.000 2.083 993 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 993 L C 2.082 178.914 176.870 -0.064 0.000 1.083 993 L CA 1.701 56.512 54.840 -0.048 0.000 0.752 993 L CB -0.751 41.273 42.059 -0.058 0.000 0.899 993 L HN 0.087 nan 8.230 nan 0.000 0.433 994 Q N -0.481 119.285 119.800 -0.058 0.000 2.181 994 Q HA -0.202 4.138 4.340 -0.001 0.000 0.205 994 Q C 1.829 177.786 176.000 -0.072 0.000 0.980 994 Q CA 1.562 57.321 55.803 -0.075 0.000 0.862 994 Q CB -0.142 28.560 28.738 -0.060 0.000 0.905 994 Q HN 0.494 nan 8.270 nan 0.000 0.429 995 E N 0.116 120.286 120.200 -0.049 0.000 2.472 995 E HA -0.076 4.273 4.350 -0.001 0.000 0.200 995 E C 0.683 177.260 176.600 -0.038 0.000 1.046 995 E CA 0.558 56.935 56.400 -0.038 0.000 0.871 995 E CB 0.038 29.723 29.700 -0.025 0.000 0.806 995 E HN 0.325 nan 8.360 nan 0.000 0.533 996 N N -0.390 118.277 118.700 -0.054 0.000 2.171 996 N HA 0.087 4.826 4.740 -0.001 0.000 0.212 996 N C 0.070 175.547 175.510 -0.055 0.000 1.184 996 N CA -0.012 53.013 53.050 -0.042 0.000 0.888 996 N CB 0.791 39.257 38.487 -0.036 0.000 1.038 996 N HN 0.119 nan 8.380 nan 0.000 0.517 997 L N 2.246 123.377 121.223 -0.153 0.000 2.395 997 L HA 0.262 4.601 4.340 -0.001 0.000 0.268 997 L C -0.138 176.729 176.870 -0.005 0.000 1.223 997 L CA 0.060 54.692 54.840 -0.347 0.000 1.093 997 L CB -0.152 41.328 42.059 -0.964 0.000 1.349 997 L HN -0.143 nan 8.230 nan 0.000 0.427 998 L N 2.469 123.803 121.223 0.186 0.000 2.292 998 L HA 0.280 4.620 4.340 -0.001 0.000 0.284 998 L C 0.821 177.822 176.870 0.219 0.000 1.065 998 L CA -0.255 54.681 54.840 0.159 0.000 0.806 998 L CB 2.059 44.165 42.059 0.078 0.000 1.175 998 L HN 0.295 nan 8.230 nan 0.000 0.431 999 V N 4.023 124.031 119.914 0.156 0.000 3.359 999 V HA 0.233 4.353 4.120 -0.001 0.000 0.245 999 V C 0.340 176.467 176.094 0.056 0.000 1.247 999 V CA 0.413 62.770 62.300 0.095 0.000 1.145 999 V CB 0.909 32.801 31.823 0.115 0.000 0.906 999 V HN 0.481 nan 8.190 nan 0.000 0.464 1000 L N -0.704 120.556 121.223 0.062 0.000 2.354 1000 L HA 0.573 4.912 4.340 -0.001 0.000 0.264 1000 L C 0.619 177.514 176.870 0.042 0.000 1.008 1000 L CA -0.368 54.503 54.840 0.051 0.000 0.819 1000 L CB 2.514 44.607 42.059 0.056 0.000 1.339 1000 L HN -0.131 nan 8.230 nan 0.000 0.420 1001 R N 0.022 120.544 120.500 0.036 0.000 2.521 1001 R HA 0.207 4.547 4.340 -0.001 0.000 0.289 1001 R C 0.561 176.874 176.300 0.022 0.000 0.936 1001 R CA -0.161 55.955 56.100 0.026 0.000 1.089 1001 R CB 1.183 31.495 30.300 0.021 0.000 1.348 1001 R HN 0.799 nan 8.270 nan 0.000 0.536 1002 G N 1.186 110.002 108.800 0.027 0.000 2.353 1002 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.239 1002 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.239 1002 G C -0.371 174.539 174.900 0.016 0.000 1.295 1002 G CA -0.071 45.043 45.100 0.023 0.000 0.884 1002 G HN 0.054 nan 8.290 nan 0.000 0.537 1003 K N 1.748 122.155 120.400 0.012 0.000 2.758 1003 K HA 0.108 4.427 4.320 -0.001 0.000 0.250 1003 K C -0.035 176.569 176.600 0.006 0.000 1.268 1003 K CA -0.307 55.984 56.287 0.007 0.000 1.228 1003 K CB -0.400 32.103 32.500 0.004 0.000 1.715 1003 K HN 0.755 nan 8.250 nan 0.000 0.334 1004 N N -1.797 116.908 118.700 0.008 0.000 2.571 1004 N HA 0.052 4.791 4.740 -0.001 0.000 0.273 1004 N C 0.333 175.844 175.510 0.002 0.000 1.340 1004 N CA -0.781 52.271 53.050 0.005 0.000 0.789 1004 N CB 0.870 39.362 38.487 0.008 0.000 1.514 1004 N HN -0.197 nan 8.380 nan 0.000 0.499 1005 E N 0.242 120.440 120.200 -0.003 0.000 2.171 1005 E HA -0.068 4.282 4.350 -0.001 0.000 0.197 1005 E C 1.083 177.678 176.600 -0.009 0.000 0.997 1005 E CA 1.447 57.842 56.400 -0.008 0.000 0.810 1005 E CB -0.209 29.485 29.700 -0.011 0.000 0.738 1005 E HN 0.699 nan 8.360 nan 0.000 0.467 1006 I N -0.181 120.386 120.570 -0.005 0.000 2.235 1006 I HA -0.193 3.976 4.170 -0.001 0.000 0.241 1006 I C 1.909 178.027 176.117 0.001 0.000 1.085 1006 I CA 0.518 61.812 61.300 -0.009 0.000 1.378 1006 I CB -0.344 37.653 38.000 -0.006 0.000 1.076 1006 I HN 0.116 nan 8.210 nan 0.000 0.415 1007 I N 0.713 121.292 120.570 0.015 0.000 2.286 1007 I HA -0.237 3.933 4.170 -0.001 0.000 0.248 1007 I C 2.603 178.731 176.117 0.018 0.000 1.115 1007 I CA 1.383 62.699 61.300 0.026 0.000 1.392 1007 I CB -1.407 36.613 38.000 0.033 0.000 1.065 1007 I HN 0.327 nan 8.210 nan 0.000 0.418 1008 Q N 0.702 120.507 119.800 0.008 0.000 2.135 1008 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 1008 Q C 2.000 177.998 176.000 -0.005 0.000 0.981 1008 Q CA 1.177 56.981 55.803 0.002 0.000 0.856 1008 Q CB -0.490 28.246 28.738 -0.003 0.000 0.902 1008 Q HN 0.553 nan 8.270 nan 0.000 0.425 1009 N N 0.146 118.840 118.700 -0.011 0.000 2.171 1009 N HA -0.063 4.676 4.740 -0.001 0.000 0.184 1009 N C 1.643 177.144 175.510 -0.014 0.000 1.021 1009 N CA 1.192 54.230 53.050 -0.020 0.000 0.854 1009 N CB -0.117 38.352 38.487 -0.030 0.000 0.994 1009 N HN 0.209 nan 8.380 nan 0.000 0.426 1010 A N 1.311 124.129 122.820 -0.004 0.000 1.883 1010 A HA -0.250 4.070 4.320 -0.001 0.000 0.217 1010 A C 2.233 179.832 177.584 0.025 0.000 1.186 1010 A CA 1.980 54.024 52.037 0.011 0.000 0.624 1010 A CB -0.801 18.217 19.000 0.031 0.000 0.822 1010 A HN 0.335 nan 8.150 nan 0.000 0.444 1011 Q N -0.039 119.778 119.800 0.028 0.000 2.061 1011 Q HA -0.183 4.157 4.340 -0.001 0.000 0.204 1011 Q C 2.117 178.131 176.000 0.024 0.000 0.984 1011 Q CA 2.260 58.084 55.803 0.036 0.000 0.846 1011 Q CB -0.377 28.380 28.738 0.031 0.000 0.902 1011 Q HN 0.640 nan 8.270 nan 0.000 0.421 1012 R N -0.065 120.435 120.500 0.000 0.000 2.096 1012 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 1012 R C 1.785 178.073 176.300 -0.021 0.000 1.127 1012 R CA 1.445 57.534 56.100 -0.019 0.000 0.968 1012 R CB -0.124 30.154 30.300 -0.038 0.000 0.861 1012 R HN 0.444 nan 8.270 nan 0.000 0.440 1013 D N 0.054 120.447 120.400 -0.011 0.000 2.123 1013 D HA -0.074 4.566 4.640 -0.001 0.000 0.200 1013 D C 1.790 178.104 176.300 0.022 0.000 0.976 1013 D CA 1.320 55.315 54.000 -0.008 0.000 0.831 1013 D CB -0.143 40.653 40.800 -0.008 0.000 0.974 1013 D HN 0.217 nan 8.370 nan 0.000 0.469 1014 A N 0.893 123.740 122.820 0.044 0.000 1.908 1014 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 1014 A C 2.223 179.877 177.584 0.115 0.000 1.181 1014 A CA 1.956 54.039 52.037 0.077 0.000 0.627 1014 A CB -0.553 18.501 19.000 0.090 0.000 0.818 1014 A HN 0.251 nan 8.150 nan 0.000 0.445 1015 V N -3.499 116.481 119.914 0.110 0.000 3.514 1015 V HA 0.096 4.216 4.120 -0.001 0.000 0.301 1015 V C 1.558 177.716 176.094 0.106 0.000 1.346 1015 V CA 1.151 63.538 62.300 0.145 0.000 1.156 1015 V CB -1.129 30.738 31.823 0.073 0.000 1.029 1015 V HN 0.337 nan 8.190 nan 0.000 0.428 1016 T N 1.582 116.166 114.554 0.049 0.000 2.607 1016 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 1016 T C 1.733 176.462 174.700 0.049 0.000 1.049 1016 T CA 2.531 64.622 62.100 -0.016 0.000 1.162 1016 T CB -0.356 68.458 68.868 -0.090 0.000 0.863 1016 T HN 0.468 nan 8.240 nan 0.000 0.424 1017 L N 0.292 121.596 121.223 0.134 0.000 2.012 1017 L HA -0.001 4.338 4.340 -0.001 0.000 0.210 1017 L C 2.118 179.101 176.870 0.189 0.000 1.073 1017 L CA 1.626 56.578 54.840 0.187 0.000 0.748 1017 L CB -0.789 41.387 42.059 0.196 0.000 0.891 1017 L HN 0.216 nan 8.230 nan 0.000 0.431 1018 F N -0.385 119.618 119.950 0.087 0.000 2.120 1018 F HA -0.307 4.220 4.527 -0.001 0.000 0.300 1018 F C 2.491 178.302 175.800 0.018 0.000 1.095 1018 F CA 1.847 59.895 58.000 0.079 0.000 1.249 1018 F CB -0.736 38.331 39.000 0.111 0.000 0.995 1018 F HN 0.180 nan 8.300 nan 0.000 0.480 1019 C N -0.937 118.357 119.300 -0.010 0.000 2.432 1019 C HA -0.159 4.301 4.460 -0.001 0.000 0.280 1019 C C 3.086 177.991 174.990 -0.142 0.000 1.353 1019 C CA 0.839 59.781 59.018 -0.127 0.000 1.766 1019 C CB -1.939 25.764 27.740 -0.062 0.000 1.924 1019 C HN 0.693 nan 8.230 nan 0.000 0.509 1020 C N 0.022 119.276 119.300 -0.077 0.000 2.432 1020 C HA -0.122 4.337 4.460 -0.001 0.000 0.277 1020 C C 2.592 177.538 174.990 -0.073 0.000 1.249 1020 C CA 1.303 60.296 59.018 -0.042 0.000 1.725 1020 C CB -1.453 26.323 27.740 0.060 0.000 2.028 1020 C HN 0.670 nan 8.230 nan 0.000 0.477 1021 L N 0.501 121.652 121.223 -0.121 0.000 1.994 1021 L HA -0.099 4.240 4.340 -0.001 0.000 0.208 1021 L C 2.275 179.016 176.870 -0.214 0.000 1.071 1021 L CA 1.777 56.529 54.840 -0.147 0.000 0.745 1021 L CB -0.936 41.008 42.059 -0.192 0.000 0.892 1021 L HN 0.253 nan 8.230 nan 0.000 0.431 1022 L N -0.175 120.807 121.223 -0.402 0.000 2.012 1022 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 1022 L C 2.728 179.526 176.870 -0.119 0.000 1.073 1022 L CA 1.886 56.535 54.840 -0.319 0.000 0.748 1022 L CB -0.517 41.293 42.059 -0.416 0.000 0.891 1022 L HN 0.257 nan 8.230 nan 0.000 0.431 1023 R N -1.072 119.363 120.500 -0.108 0.000 2.148 1023 R HA -0.082 4.257 4.340 -0.001 0.000 0.227 1023 R C 2.358 178.631 176.300 -0.046 0.000 1.103 1023 R CA 1.231 57.295 56.100 -0.060 0.000 0.983 1023 R CB -0.377 29.875 30.300 -0.079 0.000 0.874 1023 R HN 0.632 nan 8.270 nan 0.000 0.451 1024 S N 0.274 115.947 115.700 -0.046 0.000 2.414 1024 S HA 0.012 4.481 4.470 -0.001 0.000 0.227 1024 S C 1.859 176.554 174.600 0.159 0.000 1.022 1024 S CA 0.195 58.393 58.200 -0.004 0.000 0.958 1024 S CB 0.085 63.293 63.200 0.013 0.000 0.797 1024 S HN 0.135 nan 8.310 nan 0.000 0.493 1025 R N 1.159 121.736 120.500 0.127 0.000 2.148 1025 R HA 0.268 4.607 4.340 -0.001 0.000 0.223 1025 R C 1.269 177.744 176.300 0.291 0.000 1.088 1025 R CA 0.688 56.927 56.100 0.232 0.000 0.985 1025 R CB -0.698 29.703 30.300 0.168 0.000 0.880 1025 R HN 0.478 nan 8.270 nan 0.000 0.451 1026 L N 0.749 122.086 121.223 0.191 0.000 2.965 1026 L HA 0.376 4.716 4.340 -0.001 0.000 0.254 1026 L C 0.307 177.261 176.870 0.140 0.000 1.220 1026 L CA -0.584 54.390 54.840 0.223 0.000 1.023 1026 L CB 0.448 42.655 42.059 0.246 0.000 1.355 1026 L HN -0.119 nan 8.230 nan 0.000 0.545 1027 A N 0.219 123.112 122.820 0.121 0.000 2.584 1027 A HA 0.069 4.388 4.320 -0.001 0.000 0.239 1027 A C 1.575 179.183 177.584 0.039 0.000 1.043 1027 A CA 0.594 52.696 52.037 0.109 0.000 0.756 1027 A CB 0.089 19.259 19.000 0.284 0.000 0.963 1027 A HN 0.382 nan 8.150 nan 0.000 0.511 1028 T N 2.073 116.629 114.554 0.004 0.000 2.565 1028 T HA -0.296 4.053 4.350 -0.001 0.000 0.265 1028 T C 2.074 176.714 174.700 -0.100 0.000 1.082 1028 T CA 2.138 64.201 62.100 -0.062 0.000 1.173 1028 T CB -0.291 68.541 68.868 -0.059 0.000 0.864 1028 T HN 0.759 nan 8.240 nan 0.000 0.425 1029 R N 0.595 121.041 120.500 -0.091 0.000 2.080 1029 R HA -0.135 4.204 4.340 -0.001 0.000 0.236 1029 R C 2.638 178.810 176.300 -0.212 0.000 1.137 1029 R CA 1.969 57.984 56.100 -0.141 0.000 0.943 1029 R CB -0.235 29.977 30.300 -0.147 0.000 0.846 1029 R HN 0.257 nan 8.270 nan 0.000 0.431 1030 R N -0.075 120.276 120.500 -0.248 0.000 2.113 1030 R HA -0.164 4.175 4.340 -0.001 0.000 0.244 1030 R C 2.143 178.074 176.300 -0.616 0.000 1.142 1030 R CA 2.201 58.047 56.100 -0.425 0.000 0.953 1030 R CB -0.459 29.636 30.300 -0.341 0.000 0.860 1030 R HN 0.173 nan 8.270 nan 0.000 0.438 1031 V N 0.759 120.457 119.914 -0.359 0.000 2.287 1031 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 1031 V C 2.288 178.285 176.094 -0.162 0.000 1.053 1031 V CA 2.069 64.269 62.300 -0.167 0.000 1.027 1031 V CB -0.450 31.339 31.823 -0.057 0.000 0.646 1031 V HN 0.336 nan 8.190 nan 0.000 0.447 1032 L N -1.072 120.042 121.223 -0.180 0.000 2.102 1032 L HA -0.107 4.233 4.340 -0.001 0.000 0.202 1032 L C 2.583 179.357 176.870 -0.159 0.000 1.076 1032 L CA 1.569 56.317 54.840 -0.152 0.000 0.761 1032 L CB -0.491 41.485 42.059 -0.139 0.000 0.921 1032 L HN 0.300 nan 8.230 nan 0.000 0.444 1033 Q N -0.110 119.583 119.800 -0.179 0.000 2.089 1033 Q HA -0.136 4.204 4.340 -0.001 0.000 0.195 1033 Q C 2.011 177.909 176.000 -0.171 0.000 0.963 1033 Q CA 1.155 56.862 55.803 -0.160 0.000 0.834 1033 Q CB 0.324 28.972 28.738 -0.150 0.000 0.906 1033 Q HN 0.472 nan 8.270 nan 0.000 0.452 1034 E N -0.782 119.272 120.200 -0.243 0.000 2.030 1034 E HA -0.120 4.229 4.350 -0.001 0.000 0.189 1034 E C 1.817 178.386 176.600 -0.051 0.000 0.974 1034 E CA 1.028 57.315 56.400 -0.189 0.000 0.807 1034 E CB -0.088 29.430 29.700 -0.304 0.000 0.771 1034 E HN 0.458 nan 8.360 nan 0.000 0.451 1035 Y N 0.018 120.286 120.300 -0.053 0.000 2.337 1035 Y HA 0.112 4.661 4.550 -0.001 0.000 0.293 1035 Y C 0.835 176.650 175.900 -0.142 0.000 1.123 1035 Y CA -0.148 57.931 58.100 -0.035 0.000 1.201 1035 Y CB 0.173 38.650 38.460 0.029 0.000 1.011 1035 Y HN -0.138 nan 8.280 nan 0.000 0.545 1036 R N 0.614 121.081 120.500 -0.055 0.000 3.525 1036 R HA -0.162 4.178 4.340 -0.001 0.000 0.276 1036 R C -0.929 175.340 176.300 -0.053 0.000 1.116 1036 R CA 0.015 56.029 56.100 -0.143 0.000 0.745 1036 R CB -2.056 28.021 30.300 -0.371 0.000 1.185 1036 R HN 0.276 nan 8.270 nan 0.000 0.454 1037 L N 0.453 121.697 121.223 0.034 0.000 2.461 1037 L HA 0.154 4.494 4.340 -0.001 0.000 0.272 1037 L C 1.504 178.365 176.870 -0.015 0.000 1.197 1037 L CA 0.482 55.352 54.840 0.050 0.000 0.836 1037 L CB 0.486 42.647 42.059 0.170 0.000 1.105 1037 L HN 0.239 nan 8.230 nan 0.000 0.477 1038 T N -1.568 112.962 114.554 -0.039 0.000 2.902 1038 T HA 0.175 4.524 4.350 -0.001 0.000 0.280 1038 T C 0.809 175.485 174.700 -0.040 0.000 0.992 1038 T CA -0.893 61.170 62.100 -0.061 0.000 1.015 1038 T CB 1.750 70.566 68.868 -0.086 0.000 1.044 1038 T HN 0.557 nan 8.240 nan 0.000 0.520 1039 K N 0.498 120.880 120.400 -0.030 0.000 2.127 1039 K HA -0.250 4.069 4.320 -0.001 0.000 0.208 1039 K C 2.218 178.833 176.600 0.025 0.000 1.047 1039 K CA 2.081 58.384 56.287 0.027 0.000 0.927 1039 K CB -0.528 31.978 32.500 0.010 0.000 0.716 1039 K HN 0.800 nan 8.250 nan 0.000 0.450 1040 Q N -0.880 118.858 119.800 -0.103 0.000 2.049 1040 Q HA -0.039 4.300 4.340 -0.001 0.000 0.198 1040 Q C 1.967 177.677 176.000 -0.483 0.000 0.971 1040 Q CA 1.357 57.027 55.803 -0.222 0.000 0.833 1040 Q CB -0.286 28.287 28.738 -0.275 0.000 0.896 1040 Q HN 0.386 nan 8.270 nan 0.000 0.434 1041 A N 0.547 122.910 122.820 -0.763 0.000 1.877 1041 A HA -0.203 4.116 4.320 -0.001 0.000 0.216 1041 A C 1.889 179.418 177.584 -0.091 0.000 1.186 1041 A CA 1.411 52.944 52.037 -0.839 0.000 0.620 1041 A CB -1.111 17.575 19.000 -0.523 0.000 0.822 1041 A HN 0.613 nan 8.150 nan 0.000 0.443 1042 F N 1.421 121.305 119.950 -0.110 0.000 2.046 1042 F HA -0.231 4.295 4.527 -0.001 0.000 0.297 1042 F C 1.763 177.598 175.800 0.058 0.000 1.123 1042 F CA 2.325 60.333 58.000 0.014 0.000 1.199 1042 F CB -0.450 38.550 39.000 -0.000 0.000 0.972 1042 F HN 0.255 nan 8.300 nan 0.000 0.474 1043 D N -0.910 119.509 120.400 0.032 0.000 2.228 1043 D HA -0.273 4.366 4.640 -0.001 0.000 0.203 1043 D C 1.742 178.045 176.300 0.005 0.000 0.988 1043 D CA 1.497 55.473 54.000 -0.039 0.000 0.864 1043 D CB -0.698 40.138 40.800 0.060 0.000 0.928 1043 D HN 0.623 nan 8.370 nan 0.000 0.469 1044 W N 0.340 121.573 121.300 -0.112 0.000 2.576 1044 W HA -0.024 4.635 4.660 -0.001 0.000 0.270 1044 W C 1.845 178.346 176.519 -0.029 0.000 1.255 1044 W CA 0.410 57.751 57.345 -0.006 0.000 1.314 1044 W CB 0.078 29.624 29.460 0.144 0.000 1.101 1044 W HN -0.268 nan 8.180 nan 0.000 0.595 1045 V N 1.400 121.434 119.914 0.199 0.000 2.307 1045 V HA -0.325 3.795 4.120 -0.001 0.000 0.245 1045 V C 2.302 178.282 176.094 -0.190 0.000 1.045 1045 V CA 1.924 64.243 62.300 0.032 0.000 1.024 1045 V CB -1.031 30.832 31.823 0.067 0.000 0.651 1045 V HN 0.204 nan 8.190 nan 0.000 0.449 1046 L N 0.823 121.864 121.223 -0.304 0.000 1.989 1046 L HA -0.200 4.139 4.340 -0.001 0.000 0.211 1046 L C 2.771 179.525 176.870 -0.194 0.000 1.071 1046 L CA 2.259 56.928 54.840 -0.285 0.000 0.749 1046 L CB -0.953 40.888 42.059 -0.364 0.000 0.890 1046 L HN 0.581 nan 8.230 nan 0.000 0.431 1047 S N -0.905 114.674 115.700 -0.201 0.000 2.423 1047 S HA -0.179 4.290 4.470 -0.001 0.000 0.231 1047 S C 1.638 176.105 174.600 -0.222 0.000 1.014 1047 S CA 1.497 59.593 58.200 -0.174 0.000 0.965 1047 S CB -0.563 62.546 63.200 -0.152 0.000 0.785 1047 S HN 0.388 nan 8.310 nan 0.000 0.495 1048 N N 1.088 119.570 118.700 -0.363 0.000 2.188 1048 N HA 0.165 4.905 4.740 -0.001 0.000 0.184 1048 N C 1.562 176.968 175.510 -0.174 0.000 1.018 1048 N CA 1.262 54.080 53.050 -0.386 0.000 0.858 1048 N CB -0.326 37.727 38.487 -0.723 0.000 0.989 1048 N HN 0.438 nan 8.380 nan 0.000 0.426 1049 I N 0.632 121.137 120.570 -0.110 0.000 2.202 1049 I HA -0.231 3.939 4.170 -0.001 0.000 0.242 1049 I C 2.337 178.491 176.117 0.062 0.000 1.091 1049 I CA 1.051 62.368 61.300 0.029 0.000 1.368 1049 I CB -0.199 37.841 38.000 0.067 0.000 1.058 1049 I HN 0.285 nan 8.210 nan 0.000 0.410 1050 E N 0.992 121.193 120.200 0.000 0.000 2.070 1050 E HA -0.304 4.046 4.350 -0.001 0.000 0.197 1050 E C 2.243 178.873 176.600 0.050 0.000 1.004 1050 E CA 1.608 58.023 56.400 0.025 0.000 0.805 1050 E CB -0.064 29.622 29.700 -0.023 0.000 0.744 1050 E HN 0.515 nan 8.360 nan 0.000 0.451 1051 A N 0.842 123.653 122.820 -0.015 0.000 1.873 1051 A HA -0.216 4.104 4.320 -0.001 0.000 0.215 1051 A C 2.079 179.661 177.584 -0.003 0.000 1.186 1051 A CA 1.517 53.540 52.037 -0.023 0.000 0.616 1051 A CB -0.517 18.442 19.000 -0.067 0.000 0.823 1051 A HN 0.324 nan 8.150 nan 0.000 0.442 1052 Q N -1.880 117.925 119.800 0.008 0.000 2.170 1052 Q HA -0.169 4.170 4.340 -0.001 0.000 0.203 1052 Q C 1.900 177.906 176.000 0.010 0.000 0.976 1052 Q CA 1.484 57.303 55.803 0.027 0.000 0.858 1052 Q CB -0.294 28.475 28.738 0.051 0.000 0.907 1052 Q HN 0.738 nan 8.270 nan 0.000 0.433 1053 F N 1.428 121.312 119.950 -0.109 0.000 2.051 1053 F HA -0.185 4.341 4.527 -0.001 0.000 0.296 1053 F C 1.933 177.637 175.800 -0.159 0.000 1.122 1053 F CA 1.284 59.170 58.000 -0.190 0.000 1.201 1053 F CB -0.231 38.633 39.000 -0.227 0.000 0.978 1053 F HN -0.068 nan 8.300 nan 0.000 0.472 1054 L N -0.050 121.161 121.223 -0.021 0.000 2.187 1054 L HA -0.211 4.128 4.340 -0.001 0.000 0.213 1054 L C 2.530 179.271 176.870 -0.214 0.000 1.100 1054 L CA 1.285 56.054 54.840 -0.118 0.000 0.765 1054 L CB -0.679 41.372 42.059 -0.015 0.000 0.904 1054 L HN 0.117 nan 8.230 nan 0.000 0.437 1055 R N -0.642 119.756 120.500 -0.169 0.000 2.235 1055 R HA -0.056 4.283 4.340 -0.001 0.000 0.213 1055 R C 1.942 178.028 176.300 -0.356 0.000 1.059 1055 R CA 0.818 56.817 56.100 -0.168 0.000 0.997 1055 R CB 0.119 30.388 30.300 -0.052 0.000 0.884 1055 R HN 0.198 nan 8.270 nan 0.000 0.462 1056 S N -0.500 114.946 115.700 -0.423 0.000 2.535 1056 S HA 0.116 4.586 4.470 -0.001 0.000 0.214 1056 S C 0.201 174.525 174.600 -0.460 0.000 0.980 1056 S CA -0.296 57.593 58.200 -0.518 0.000 0.907 1056 S CB 0.707 63.682 63.200 -0.374 0.000 0.790 1056 S HN -0.037 nan 8.310 nan 0.000 0.510 1057 V N 2.396 122.049 119.914 -0.435 0.000 2.655 1057 V HA 0.095 4.214 4.120 -0.001 0.000 0.300 1057 V C 0.761 176.762 176.094 -0.154 0.000 1.044 1057 V CA -0.191 61.924 62.300 -0.309 0.000 1.095 1057 V CB 1.068 32.711 31.823 -0.300 0.000 0.952 1057 V HN 0.152 nan 8.190 nan 0.000 0.485 1058 V N 5.706 125.599 119.914 -0.035 0.000 2.872 1058 V HA 0.064 4.183 4.120 -0.001 0.000 0.307 1058 V C 0.377 176.483 176.094 0.021 0.000 1.072 1058 V CA 0.025 62.363 62.300 0.064 0.000 1.148 1058 V CB 0.467 32.368 31.823 0.130 0.000 0.954 1058 V HN 0.844 nan 8.190 nan 0.000 0.490 1059 H N 5.956 124.942 119.070 -0.140 0.000 2.519 1059 H HA 0.308 4.863 4.556 -0.001 0.000 0.316 1059 H C -2.300 172.887 175.328 -0.235 0.000 1.065 1059 H CA -1.920 54.030 56.048 -0.163 0.000 1.264 1059 H CB 1.446 31.131 29.762 -0.129 0.000 1.413 1059 H HN 0.534 nan 8.280 nan 0.000 0.465 1060 P HA -0.129 nan 4.420 nan 0.000 0.263 1060 P C 0.999 178.063 177.300 -0.394 0.000 1.168 1060 P CA 1.483 64.279 63.100 -0.507 0.000 0.759 1060 P CB 0.469 31.454 31.700 -1.191 0.000 0.782 1061 G N 1.440 110.039 108.800 -0.335 0.000 2.213 1061 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.226 1061 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.226 1061 G C 0.103 174.908 174.900 -0.159 0.000 0.992 1061 G CA -0.482 44.500 45.100 -0.197 0.000 0.632 1061 G HN 0.530 nan 8.290 nan 0.000 0.511 1062 E N 1.388 121.482 120.200 -0.175 0.000 2.417 1062 E HA 0.196 4.545 4.350 -0.001 0.000 0.261 1062 E C 0.704 177.192 176.600 -0.187 0.000 1.000 1062 E CA 0.154 56.450 56.400 -0.174 0.000 0.919 1062 E CB 0.293 29.868 29.700 -0.209 0.000 0.955 1062 E HN 0.211 nan 8.360 nan 0.000 0.455 1063 M N 4.353 123.869 119.600 -0.141 0.000 3.237 1063 M HA 0.014 4.493 4.480 -0.001 0.000 0.266 1063 M C 1.174 177.405 176.300 -0.115 0.000 1.456 1063 M CA -0.092 55.136 55.300 -0.119 0.000 1.593 1063 M CB -0.747 31.799 32.600 -0.091 0.000 1.129 1063 M HN 0.262 nan 8.290 nan 0.000 0.547 1064 V N 0.041 119.855 119.914 -0.167 0.000 2.809 1064 V HA 0.030 4.149 4.120 -0.001 0.000 0.256 1064 V C 1.957 178.045 176.094 -0.010 0.000 1.080 1064 V CA 1.794 64.008 62.300 -0.144 0.000 1.102 1064 V CB -1.474 30.107 31.823 -0.405 0.000 0.705 1064 V HN 0.652 nan 8.190 nan 0.000 0.475 1065 G N 0.772 109.554 108.800 -0.030 0.000 2.434 1065 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.214 1065 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.214 1065 G C 1.536 176.428 174.900 -0.012 0.000 1.202 1065 G CA 1.347 46.444 45.100 -0.006 0.000 0.788 1065 G HN 0.397 nan 8.290 nan 0.000 0.539 1066 V N 0.807 120.699 119.914 -0.035 0.000 2.287 1066 V HA -0.159 3.960 4.120 -0.001 0.000 0.248 1066 V C 2.746 178.812 176.094 -0.047 0.000 1.053 1066 V CA 1.649 63.922 62.300 -0.046 0.000 1.027 1066 V CB -0.625 31.164 31.823 -0.056 0.000 0.646 1066 V HN 0.305 nan 8.190 nan 0.000 0.447 1067 L N 0.714 121.913 121.223 -0.040 0.000 2.030 1067 L HA -0.297 4.042 4.340 -0.001 0.000 0.222 1067 L C 2.472 179.290 176.870 -0.087 0.000 1.082 1067 L CA 2.729 57.541 54.840 -0.046 0.000 0.785 1067 L CB -0.986 41.091 42.059 0.029 0.000 0.895 1067 L HN 0.293 nan 8.230 nan 0.000 0.439 1068 A N -1.340 121.507 122.820 0.044 0.000 1.873 1068 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 1068 A C 2.404 179.969 177.584 -0.031 0.000 1.186 1068 A CA 1.986 54.081 52.037 0.096 0.000 0.616 1068 A CB -1.156 17.951 19.000 0.179 0.000 0.823 1068 A HN 0.582 nan 8.150 nan 0.000 0.442 1069 A N -0.604 122.195 122.820 -0.035 0.000 1.858 1069 A HA -0.222 4.098 4.320 -0.001 0.000 0.216 1069 A C 2.114 179.651 177.584 -0.079 0.000 1.190 1069 A CA 1.668 53.672 52.037 -0.055 0.000 0.617 1069 A CB -0.741 18.226 19.000 -0.055 0.000 0.827 1069 A HN 0.626 nan 8.150 nan 0.000 0.443 1070 Q N -0.162 119.590 119.800 -0.081 0.000 2.181 1070 Q HA -0.133 4.207 4.340 -0.001 0.000 0.205 1070 Q C 2.323 178.257 176.000 -0.109 0.000 0.980 1070 Q CA 1.672 57.432 55.803 -0.073 0.000 0.862 1070 Q CB -0.219 28.498 28.738 -0.035 0.000 0.905 1070 Q HN 0.647 nan 8.270 nan 0.000 0.429 1071 S N 0.248 115.832 115.700 -0.193 0.000 2.406 1071 S HA -0.016 4.453 4.470 -0.001 0.000 0.228 1071 S C 1.814 176.312 174.600 -0.171 0.000 1.020 1071 S CA 0.717 58.761 58.200 -0.261 0.000 0.965 1071 S CB 0.064 62.883 63.200 -0.634 0.000 0.798 1071 S HN 0.281 nan 8.310 nan 0.000 0.488 1072 I N 0.953 121.449 120.570 -0.124 0.000 2.585 1072 I HA 0.068 4.237 4.170 -0.001 0.000 0.254 1072 I C 2.600 178.658 176.117 -0.099 0.000 1.129 1072 I CA 0.709 61.952 61.300 -0.094 0.000 1.455 1072 I CB -0.572 37.389 38.000 -0.065 0.000 1.111 1072 I HN 0.320 nan 8.210 nan 0.000 0.433 1073 G N 0.371 109.112 108.800 -0.099 0.000 2.418 1073 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 1073 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 1073 G C 1.574 176.406 174.900 -0.115 0.000 1.158 1073 G CA 0.518 45.561 45.100 -0.095 0.000 0.771 1073 G HN 0.296 nan 8.290 nan 0.000 0.545 1074 E N 1.152 121.258 120.200 -0.156 0.000 2.051 1074 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 1074 E C 0.186 176.668 176.600 -0.197 0.000 0.991 1074 E CA 1.336 57.595 56.400 -0.234 0.000 0.799 1074 E CB -0.776 28.653 29.700 -0.451 0.000 0.748 1074 E HN 0.319 nan 8.360 nan 0.000 0.449 1075 P HA -0.130 nan 4.420 nan 0.000 0.216 1075 P C 1.111 178.357 177.300 -0.090 0.000 1.150 1075 P CA 1.886 64.915 63.100 -0.118 0.000 0.837 1075 P CB -0.292 31.343 31.700 -0.108 0.000 0.786 1076 A N -0.329 122.440 122.820 -0.085 0.000 2.225 1076 A HA -0.056 4.264 4.320 -0.001 0.000 0.215 1076 A C 1.709 179.264 177.584 -0.049 0.000 1.164 1076 A CA 1.955 53.955 52.037 -0.061 0.000 0.710 1076 A CB -1.294 17.671 19.000 -0.057 0.000 0.780 1076 A HN 0.408 nan 8.150 nan 0.000 0.473 1077 T N -4.412 110.105 114.554 -0.062 0.000 3.475 1077 T HA 0.236 4.585 4.350 -0.001 0.000 0.310 1077 T C 0.901 175.564 174.700 -0.062 0.000 0.963 1077 T CA 0.373 62.442 62.100 -0.051 0.000 0.985 1077 T CB -0.131 68.707 68.868 -0.050 0.000 1.198 1077 T HN 0.409 nan 8.240 nan 0.000 0.508 1078 Q N 1.290 121.047 119.800 -0.071 0.000 2.376 1078 Q HA 0.299 4.638 4.340 -0.001 0.000 0.206 1078 Q C 0.981 176.952 176.000 -0.047 0.000 0.921 1078 Q CA 0.223 55.981 55.803 -0.075 0.000 0.911 1078 Q CB 0.113 28.793 28.738 -0.097 0.000 1.032 1078 Q HN 0.636 nan 8.270 nan 0.000 0.510 1079 M N -0.310 119.269 119.600 -0.034 0.000 2.840 1079 M HA 0.385 4.865 4.480 -0.001 0.000 0.283 1079 M C -0.027 176.256 176.300 -0.028 0.000 1.136 1079 M CA -0.271 55.008 55.300 -0.034 0.000 0.857 1079 M CB -0.817 31.769 32.600 -0.024 0.000 1.644 1079 M HN 0.073 nan 8.290 nan 0.000 0.520 1080 T N 0.995 115.535 114.554 -0.023 0.000 2.431 1080 T HA 0.040 4.389 4.350 -0.001 0.000 0.392 1080 T C -0.408 174.292 174.700 -0.001 0.000 1.105 1080 T CA 0.237 62.331 62.100 -0.009 0.000 3.856 1080 T CB -1.505 67.358 68.868 -0.008 0.000 0.620 1080 T HN 0.692 nan 8.240 nan 0.000 0.213 1081 L N 3.321 124.549 121.223 0.008 0.000 2.549 1081 L HA 0.375 4.714 4.340 -0.001 0.000 0.260 1081 L C -0.310 176.575 176.870 0.025 0.000 1.109 1081 L CA -0.544 54.304 54.840 0.013 0.000 0.900 1081 L CB 0.840 42.902 42.059 0.005 0.000 1.119 1081 L HN 0.553 nan 8.230 nan 0.000 0.471 1082 N N 1.287 120.016 118.700 0.049 0.000 2.386 1082 N HA 0.451 5.190 4.740 -0.001 0.000 0.291 1082 N C -0.140 175.395 175.510 0.042 0.000 1.309 1082 N CA 0.195 53.278 53.050 0.055 0.000 0.948 1082 N CB 0.168 38.717 38.487 0.105 0.000 1.083 1082 N HN 0.543 nan 8.380 nan 0.000 0.527 1083 T N -0.215 114.357 114.554 0.030 0.000 0.541 1083 T HA -0.256 4.093 4.350 -0.001 0.000 0.774 1083 T C -0.183 174.613 174.700 0.159 0.000 0.992 1083 T CA 0.396 62.505 62.100 0.015 0.000 4.077 1083 T CB -0.606 68.191 68.868 -0.119 0.000 2.303 1083 T HN 0.419 nan 8.240 nan 0.000 0.398 1084 F N 0.982 120.910 119.950 -0.036 0.000 2.190 1084 F HA 0.485 5.012 4.527 -0.001 0.000 0.286 1084 F C 1.326 177.329 175.800 0.337 0.000 1.025 1084 F CA -0.248 57.828 58.000 0.127 0.000 1.135 1084 F CB 0.493 39.576 39.000 0.139 0.000 1.748 1084 F HN 0.668 nan 8.300 nan 0.000 0.542 1085 H N 1.511 120.120 119.070 -0.768 0.000 2.712 1085 H HA 0.197 4.752 4.556 -0.001 0.000 0.226 1085 H C -1.406 173.606 175.328 -0.527 0.000 1.422 1085 H CA -0.069 55.735 56.048 -0.407 0.000 1.270 1085 H CB -0.172 29.425 29.762 -0.276 0.000 1.891 1085 H HN 0.445 nan 8.280 nan 0.000 0.518 1086 F N -0.544 119.041 119.950 -0.609 0.000 2.505 1086 F HA 0.604 5.130 4.527 -0.001 0.000 0.383 1086 F C 0.036 175.818 175.800 -0.030 0.000 1.509 1086 F CA -0.283 57.487 58.000 -0.384 0.000 1.101 1086 F CB -0.349 38.591 39.000 -0.100 0.000 1.367 1086 F HN 0.088 nan 8.300 nan 0.000 0.523 1087 A N 0.407 123.229 122.820 0.003 0.000 2.009 1087 A HA 0.780 5.099 4.320 -0.001 0.000 0.197 1087 A C 1.151 178.622 177.584 -0.189 0.000 1.471 1087 A CA 0.252 52.187 52.037 -0.171 0.000 0.973 1087 A CB 0.033 19.128 19.000 0.158 0.000 1.020 1087 A HN 1.395 nan 8.150 nan 0.000 0.476 1088 G N 0.252 108.979 108.800 -0.122 0.000 2.258 1088 G HA2 0.451 4.410 3.960 -0.001 0.000 0.182 1088 G HA3 0.451 4.410 3.960 -0.001 0.000 0.182 1088 G C -0.507 174.346 174.900 -0.078 0.000 1.790 1088 G CA -0.270 44.806 45.100 -0.042 0.000 1.128 1088 G HN 1.448 nan 8.290 nan 0.000 0.606 1089 V N 0.356 120.238 119.914 -0.053 0.000 2.686 1089 V HA 0.925 5.045 4.120 -0.001 0.000 0.295 1089 V C 0.895 176.970 176.094 -0.032 0.000 1.057 1089 V CA 0.158 62.445 62.300 -0.021 0.000 1.012 1089 V CB 1.050 32.867 31.823 -0.010 0.000 1.006 1089 V HN 2.726 nan 8.190 nan 0.000 0.477 1090 A N 2.813 125.628 122.820 -0.008 0.000 2.412 1090 A HA -0.001 4.319 4.320 -0.001 0.000 0.676 1090 A C 0.737 178.316 177.584 -0.008 0.000 0.183 1090 A CA 0.218 52.248 52.037 -0.013 0.000 0.107 1090 A CB -2.042 16.934 19.000 -0.041 0.000 3.914 1090 A HN 1.623 nan 8.150 nan 0.000 0.540 1091 S N 1.565 117.286 115.700 0.035 0.000 2.501 1091 S HA 0.012 4.481 4.470 -0.001 0.000 0.220 1091 S C 1.512 176.151 174.600 0.065 0.000 0.997 1091 S CA 1.349 59.578 58.200 0.048 0.000 0.919 1091 S CB 0.129 63.369 63.200 0.066 0.000 0.778 1091 S HN 0.851 nan 8.310 nan 0.000 0.523 1092 K N 1.491 121.942 120.400 0.086 0.000 3.216 1092 K HA 0.309 4.628 4.320 -0.001 0.000 0.207 1092 K C -0.084 176.646 176.600 0.217 0.000 1.115 1092 K CA 0.105 56.459 56.287 0.112 0.000 1.370 1092 K CB 0.082 32.636 32.500 0.089 0.000 1.892 1092 K HN -0.049 nan 8.250 nan 0.000 0.473 1093 K N 0.738 121.275 120.400 0.228 0.000 2.156 1093 K HA 0.563 4.882 4.320 -0.001 0.000 0.250 1093 K C -1.485 175.170 176.600 0.091 0.000 0.955 1093 K CA -0.691 55.795 56.287 0.333 0.000 0.855 1093 K CB 2.450 35.111 32.500 0.269 0.000 1.101 1093 K HN -0.022 nan 8.250 nan 0.000 0.434 1094 V N 1.648 121.411 119.914 -0.252 0.000 2.697 1094 V HA 0.136 4.255 4.120 -0.001 0.000 0.300 1094 V C -0.590 174.941 176.094 -0.939 0.000 1.115 1094 V CA -0.554 61.504 62.300 -0.404 0.000 0.912 1094 V CB 2.003 33.725 31.823 -0.169 0.000 1.024 1094 V HN 0.932 nan 8.190 nan 0.000 0.431 1095 T N 4.802 119.025 114.554 -0.551 0.000 2.906 1095 T HA 0.454 4.804 4.350 -0.001 0.000 0.320 1095 T C 0.077 174.559 174.700 -0.363 0.000 1.088 1095 T CA 0.826 62.646 62.100 -0.467 0.000 1.120 1095 T CB 0.390 69.158 68.868 -0.167 0.000 1.000 1095 T HN 1.519 nan 8.240 nan 0.000 0.550 1096 S N 2.032 117.607 115.700 -0.209 0.000 2.550 1096 S HA 0.656 5.125 4.470 -0.001 0.000 0.270 1096 S C 0.017 174.627 174.600 0.017 0.000 1.145 1096 S CA -0.697 57.470 58.200 -0.055 0.000 0.852 1096 S CB 1.186 64.406 63.200 0.034 0.000 1.119 1096 S HN 1.101 nan 8.310 nan 0.000 0.465 1097 G N 0.252 109.061 108.800 0.016 0.000 2.340 1097 G HA2 0.423 4.382 3.960 -0.001 0.000 0.245 1097 G HA3 0.423 4.382 3.960 -0.001 0.000 0.245 1097 G C 0.441 175.354 174.900 0.023 0.000 1.294 1097 G CA -0.416 44.690 45.100 0.010 0.000 0.896 1097 G HN 0.770 nan 8.290 nan 0.000 0.522 1098 V N 4.477 124.401 119.914 0.017 0.000 2.795 1098 V HA 0.019 4.139 4.120 -0.001 0.000 0.243 1098 V C -0.098 176.005 176.094 0.015 0.000 1.069 1098 V CA 0.979 63.285 62.300 0.011 0.000 1.089 1098 V CB -0.020 31.809 31.823 0.011 0.000 0.756 1098 V HN 0.585 nan 8.190 nan 0.000 0.471 1099 P HA -0.244 nan 4.420 nan 0.000 0.217 1099 P C 1.536 178.844 177.300 0.014 0.000 1.151 1099 P CA 1.670 64.774 63.100 0.006 0.000 0.849 1099 P CB 0.047 31.742 31.700 -0.007 0.000 0.787 1100 R N 0.064 120.569 120.500 0.007 0.000 2.062 1100 R HA -0.068 4.271 4.340 -0.001 0.000 0.229 1100 R C 2.309 178.628 176.300 0.031 0.000 1.128 1100 R CA 0.986 57.094 56.100 0.014 0.000 0.960 1100 R CB -1.792 28.504 30.300 -0.007 0.000 0.855 1100 R HN 0.044 nan 8.270 nan 0.000 0.432 1101 L N 1.260 122.493 121.223 0.017 0.000 2.089 1101 L HA -0.193 4.147 4.340 -0.001 0.000 0.213 1101 L C 2.055 178.946 176.870 0.034 0.000 1.079 1101 L CA 2.057 56.905 54.840 0.013 0.000 0.758 1101 L CB -0.594 41.462 42.059 -0.005 0.000 0.891 1101 L HN 0.267 nan 8.230 nan 0.000 0.433 1102 K N -0.756 119.672 120.400 0.046 0.000 2.057 1102 K HA -0.187 4.132 4.320 -0.001 0.000 0.206 1102 K C 2.024 178.672 176.600 0.080 0.000 1.050 1102 K CA 1.611 57.939 56.287 0.069 0.000 0.935 1102 K CB -0.080 32.463 32.500 0.073 0.000 0.715 1102 K HN 0.479 nan 8.250 nan 0.000 0.439 1103 E N 0.537 120.782 120.200 0.075 0.000 2.038 1103 E HA -0.226 4.124 4.350 -0.001 0.000 0.195 1103 E C 2.019 178.721 176.600 0.170 0.000 1.000 1103 E CA 1.629 58.085 56.400 0.094 0.000 0.803 1103 E CB -0.155 29.589 29.700 0.074 0.000 0.750 1103 E HN 0.272 nan 8.360 nan 0.000 0.448 1104 I N 0.989 121.673 120.570 0.190 0.000 2.068 1104 I HA -0.361 3.809 4.170 -0.001 0.000 0.238 1104 I C 2.389 178.602 176.117 0.160 0.000 1.046 1104 I CA 1.408 62.841 61.300 0.221 0.000 1.306 1104 I CB -0.368 37.653 38.000 0.035 0.000 1.023 1104 I HN 0.137 nan 8.210 nan 0.000 0.399 1105 L N 0.151 121.422 121.223 0.081 0.000 2.201 1105 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 1105 L C 2.091 179.017 176.870 0.093 0.000 1.105 1105 L CA 0.925 55.799 54.840 0.057 0.000 0.775 1105 L CB -0.797 41.276 42.059 0.023 0.000 0.913 1105 L HN 0.341 nan 8.230 nan 0.000 0.440 1106 N N -0.086 118.682 118.700 0.114 0.000 2.396 1106 N HA -0.062 4.678 4.740 -0.001 0.000 0.180 1106 N C 0.838 176.421 175.510 0.121 0.000 1.028 1106 N CA 0.640 53.756 53.050 0.111 0.000 0.893 1106 N CB 0.219 38.762 38.487 0.094 0.000 0.967 1106 N HN 0.027 nan 8.380 nan 0.000 0.440 1107 V N 0.042 120.068 119.914 0.187 0.000 5.925 1107 V HA -0.263 3.857 4.120 -0.001 0.000 0.321 1107 V C 0.380 176.504 176.094 0.049 0.000 0.499 1107 V CA 0.297 62.713 62.300 0.193 0.000 0.667 1107 V CB -2.740 29.197 31.823 0.190 0.000 0.336 1107 V HN 0.425 nan 8.190 nan 0.000 1.132 1108 A N 0.667 123.508 122.820 0.036 0.000 2.491 1108 A HA 0.310 4.629 4.320 -0.001 0.000 0.261 1108 A C 1.259 178.800 177.584 -0.071 0.000 1.101 1108 A CA 0.652 52.684 52.037 -0.007 0.000 0.772 1108 A CB 0.353 19.358 19.000 0.009 0.000 1.043 1108 A HN 0.551 nan 8.150 nan 0.000 0.501 1109 K N 1.795 122.159 120.400 -0.060 0.000 2.288 1109 K HA -0.098 4.221 4.320 -0.001 0.000 0.201 1109 K C 0.275 176.832 176.600 -0.072 0.000 1.048 1109 K CA 1.178 57.417 56.287 -0.080 0.000 0.956 1109 K CB 0.027 32.494 32.500 -0.055 0.000 0.746 1109 K HN 0.925 nan 8.250 nan 0.000 0.461 1110 N N 1.288 119.958 118.700 -0.050 0.000 3.025 1110 N HA 0.004 4.743 4.740 -0.001 0.000 0.315 1110 N C -0.132 175.356 175.510 -0.036 0.000 1.511 1110 N CA -0.251 52.775 53.050 -0.039 0.000 1.097 1110 N CB -0.144 38.328 38.487 -0.025 0.000 1.395 1110 N HN 0.140 nan 8.380 nan 0.000 0.511 1111 M N -0.065 119.504 119.600 -0.052 0.000 2.245 1111 M HA 0.106 4.585 4.480 -0.001 0.000 0.344 1111 M C 0.966 177.249 176.300 -0.030 0.000 1.170 1111 M CA 0.014 55.288 55.300 -0.043 0.000 1.135 1111 M CB 1.314 33.873 32.600 -0.068 0.000 1.574 1111 M HN 0.151 nan 8.290 nan 0.000 0.452 1112 K N 1.736 122.125 120.400 -0.019 0.000 2.009 1112 K HA -0.099 4.221 4.320 -0.001 0.000 0.210 1112 K C 0.490 177.081 176.600 -0.014 0.000 1.049 1112 K CA 2.133 58.414 56.287 -0.011 0.000 0.929 1112 K CB -0.013 32.485 32.500 -0.004 0.000 0.714 1112 K HN 0.890 nan 8.250 nan 0.000 0.440 1113 T N 0.305 114.843 114.554 -0.027 0.000 3.401 1113 T HA 0.341 4.690 4.350 -0.001 0.000 0.341 1113 T C -2.748 171.936 174.700 -0.027 0.000 1.674 1113 T CA -1.927 60.158 62.100 -0.026 0.000 1.600 1113 T CB 1.094 69.936 68.868 -0.043 0.000 0.974 1113 T HN -0.066 nan 8.240 nan 0.000 0.672 1114 P HA 0.447 nan 4.420 nan 0.000 0.271 1114 P C -0.410 176.874 177.300 -0.025 0.000 1.218 1114 P CA -0.060 63.016 63.100 -0.040 0.000 0.780 1114 P CB 1.219 32.887 31.700 -0.053 0.000 0.901 1115 S N 1.943 117.626 115.700 -0.028 0.000 2.562 1115 S HA 0.478 4.947 4.470 -0.001 0.000 0.274 1115 S C -1.235 173.355 174.600 -0.017 0.000 1.160 1115 S CA -0.723 57.474 58.200 -0.006 0.000 0.933 1115 S CB 0.354 63.568 63.200 0.023 0.000 1.100 1115 S HN 0.245 nan 8.310 nan 0.000 0.468 1116 L N 3.477 124.697 121.223 -0.006 0.000 2.307 1116 L HA 0.531 4.870 4.340 -0.001 0.000 0.282 1116 L C 0.074 176.965 176.870 0.035 0.000 1.051 1116 L CA -0.497 54.342 54.840 -0.001 0.000 0.804 1116 L CB 1.927 43.983 42.059 -0.004 0.000 1.197 1116 L HN 0.599 nan 8.230 nan 0.000 0.431 1117 T N 2.634 117.240 114.554 0.088 0.000 2.749 1117 T HA 0.432 4.781 4.350 -0.001 0.000 0.287 1117 T C -0.249 174.428 174.700 -0.039 0.000 0.970 1117 T CA -0.375 61.745 62.100 0.034 0.000 0.980 1117 T CB 1.392 70.344 68.868 0.139 0.000 0.924 1117 T HN 0.178 nan 8.240 nan 0.000 0.456 1118 V N 5.028 124.847 119.914 -0.158 0.000 2.350 1118 V HA 0.402 4.521 4.120 -0.001 0.000 0.285 1118 V C -0.850 175.125 176.094 -0.198 0.000 1.014 1118 V CA -0.995 61.253 62.300 -0.086 0.000 0.831 1118 V CB 0.272 32.081 31.823 -0.024 0.000 1.000 1118 V HN 0.776 nan 8.190 nan 0.000 0.433 1119 Y N 4.261 124.616 120.300 0.091 0.000 2.392 1119 Y HA 0.648 5.198 4.550 -0.001 0.000 0.323 1119 Y C 0.056 175.996 175.900 0.066 0.000 1.291 1119 Y CA -0.909 57.243 58.100 0.088 0.000 1.345 1119 Y CB 0.830 39.348 38.460 0.096 0.000 1.320 1119 Y HN 0.355 nan 8.280 nan 0.000 0.518 1120 L N 0.795 122.155 121.223 0.228 0.000 2.331 1120 L HA 0.277 4.616 4.340 -0.001 0.000 0.275 1120 L C 0.049 176.983 176.870 0.106 0.000 1.022 1120 L CA -0.983 53.938 54.840 0.135 0.000 0.812 1120 L CB 1.336 43.481 42.059 0.144 0.000 1.257 1120 L HN 0.589 nan 8.230 nan 0.000 0.435 1121 E N 4.450 124.664 120.200 0.022 0.000 2.708 1121 E HA -0.053 4.296 4.350 -0.001 0.000 0.260 1121 E C -2.070 174.539 176.600 0.014 0.000 0.937 1121 E CA -1.023 55.360 56.400 -0.028 0.000 0.953 1121 E CB 0.497 30.102 29.700 -0.159 0.000 0.915 1121 E HN 0.248 nan 8.360 nan 0.000 0.487 1122 P HA -0.053 nan 4.420 nan 0.000 0.261 1122 P C 0.451 177.813 177.300 0.104 0.000 1.183 1122 P CA 1.048 64.185 63.100 0.061 0.000 0.761 1122 P CB 0.585 32.305 31.700 0.034 0.000 0.785 1123 G N 2.036 110.933 108.800 0.163 0.000 2.218 1123 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.216 1123 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.216 1123 G C 0.324 175.471 174.900 0.410 0.000 0.994 1123 G CA -0.084 45.158 45.100 0.236 0.000 0.637 1123 G HN 0.568 nan 8.290 nan 0.000 0.505 1124 H N -1.284 117.819 119.070 0.055 0.000 4.419 1124 H HA 0.758 5.313 4.556 -0.001 0.000 0.194 1124 H C 2.048 177.434 175.328 0.097 0.000 1.467 1124 H CA 1.564 57.653 56.048 0.068 0.000 1.118 1124 H CB -0.530 29.267 29.762 0.059 0.000 1.182 1124 H HN 1.196 nan 8.280 nan 0.000 0.527 1125 A N -0.559 122.431 122.820 0.284 0.000 4.109 1125 A HA -0.270 4.049 4.320 -0.001 0.000 0.250 1125 A C 1.846 179.599 177.584 0.283 0.000 0.772 1125 A CA 2.323 54.510 52.037 0.250 0.000 1.320 1125 A CB -2.401 16.713 19.000 0.190 0.000 1.076 1125 A HN 0.962 nan 8.150 nan 0.000 0.723 1126 A N -1.064 121.894 122.820 0.230 0.000 2.095 1126 A HA 0.355 4.674 4.320 -0.001 0.000 0.212 1126 A C 0.860 178.641 177.584 0.329 0.000 1.162 1126 A CA 1.279 53.456 52.037 0.234 0.000 0.753 1126 A CB -0.144 18.924 19.000 0.113 0.000 0.840 1126 A HN 0.645 nan 8.150 nan 0.000 0.468 1127 D N 0.658 121.190 120.400 0.220 0.000 2.441 1127 D HA 0.046 4.685 4.640 -0.001 0.000 0.243 1127 D C 1.145 177.467 176.300 0.036 0.000 1.257 1127 D CA 0.085 54.151 54.000 0.111 0.000 1.027 1127 D CB 0.177 41.001 40.800 0.039 0.000 1.084 1127 D HN 0.486 nan 8.370 nan 0.000 0.514 1128 Q N 2.457 122.238 119.800 -0.032 0.000 2.197 1128 Q HA -0.230 4.109 4.340 -0.001 0.000 0.207 1128 Q C 1.412 177.163 176.000 -0.415 0.000 0.984 1128 Q CA 1.295 56.761 55.803 -0.561 0.000 0.869 1128 Q CB 0.234 28.677 28.738 -0.493 0.000 0.906 1128 Q HN 0.607 nan 8.270 nan 0.000 0.426 1129 E N -0.386 119.697 120.200 -0.194 0.000 2.158 1129 E HA -0.173 4.176 4.350 -0.001 0.000 0.191 1129 E C 1.954 178.485 176.600 -0.116 0.000 0.982 1129 E CA 0.454 56.763 56.400 -0.151 0.000 0.823 1129 E CB 0.119 29.767 29.700 -0.087 0.000 0.766 1129 E HN 0.395 nan 8.360 nan 0.000 0.468 1130 Q N 0.011 119.772 119.800 -0.065 0.000 2.167 1130 Q HA -0.120 4.219 4.340 -0.001 0.000 0.202 1130 Q C 1.966 177.934 176.000 -0.053 0.000 0.970 1130 Q CA 1.063 56.860 55.803 -0.009 0.000 0.855 1130 Q CB 0.021 28.824 28.738 0.108 0.000 0.911 1130 Q HN 0.265 nan 8.270 nan 0.000 0.438 1131 A N 1.405 124.152 122.820 -0.121 0.000 1.877 1131 A HA -0.224 4.095 4.320 -0.001 0.000 0.216 1131 A C 2.015 179.477 177.584 -0.203 0.000 1.186 1131 A CA 1.742 53.680 52.037 -0.165 0.000 0.620 1131 A CB -0.396 18.423 19.000 -0.301 0.000 0.822 1131 A HN 0.327 nan 8.150 nan 0.000 0.443 1132 K N -0.278 119.964 120.400 -0.263 0.000 2.074 1132 K HA -0.142 4.177 4.320 -0.001 0.000 0.209 1132 K C 1.882 178.388 176.600 -0.157 0.000 1.048 1132 K CA 1.622 57.768 56.287 -0.235 0.000 0.926 1132 K CB -0.461 31.907 32.500 -0.220 0.000 0.713 1132 K HN 0.484 nan 8.250 nan 0.000 0.444 1133 L N 0.259 121.415 121.223 -0.112 0.000 1.994 1133 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 1133 L C 2.374 179.205 176.870 -0.065 0.000 1.071 1133 L CA 1.000 55.797 54.840 -0.073 0.000 0.745 1133 L CB -0.477 41.556 42.059 -0.045 0.000 0.892 1133 L HN 0.120 nan 8.230 nan 0.000 0.431 1134 I N 0.073 120.605 120.570 -0.062 0.000 2.208 1134 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 1134 I C 2.777 178.858 176.117 -0.060 0.000 1.097 1134 I CA 1.381 62.652 61.300 -0.049 0.000 1.363 1134 I CB -0.514 37.465 38.000 -0.035 0.000 1.051 1134 I HN 0.201 nan 8.210 nan 0.000 0.413 1135 R N 0.607 121.049 120.500 -0.095 0.000 2.096 1135 R HA -0.239 4.100 4.340 -0.001 0.000 0.240 1135 R C 2.429 178.680 176.300 -0.082 0.000 1.139 1135 R CA 2.305 58.337 56.100 -0.114 0.000 0.952 1135 R CB -0.440 29.735 30.300 -0.208 0.000 0.854 1135 R HN 0.523 nan 8.270 nan 0.000 0.436 1136 S N -0.411 115.242 115.700 -0.080 0.000 2.406 1136 S HA 0.042 4.512 4.470 -0.001 0.000 0.228 1136 S C 2.114 176.700 174.600 -0.022 0.000 1.020 1136 S CA 0.586 58.759 58.200 -0.044 0.000 0.965 1136 S CB -0.039 63.132 63.200 -0.047 0.000 0.798 1136 S HN 0.478 nan 8.310 nan 0.000 0.488 1137 A N 0.962 123.766 122.820 -0.026 0.000 2.121 1137 A HA 0.294 4.613 4.320 -0.001 0.000 0.218 1137 A C 2.046 179.629 177.584 -0.001 0.000 1.154 1137 A CA 0.967 52.996 52.037 -0.014 0.000 0.679 1137 A CB -0.496 18.493 19.000 -0.018 0.000 0.795 1137 A HN 0.623 nan 8.150 nan 0.000 0.458 1138 I N -1.690 118.880 120.570 -0.001 0.000 3.194 1138 I HA 0.055 4.224 4.170 -0.001 0.000 0.271 1138 I C 0.939 177.077 176.117 0.036 0.000 1.150 1138 I CA -0.071 61.235 61.300 0.010 0.000 1.440 1138 I CB 0.141 38.139 38.000 -0.003 0.000 1.276 1138 I HN 0.269 nan 8.210 nan 0.000 0.457 1139 E N 2.466 122.689 120.200 0.038 0.000 2.465 1139 E HA -0.129 4.220 4.350 -0.001 0.000 0.260 1139 E C -0.014 176.649 176.600 0.105 0.000 0.980 1139 E CA 0.076 56.519 56.400 0.073 0.000 0.927 1139 E CB 0.304 30.053 29.700 0.082 0.000 0.934 1139 E HN 0.202 nan 8.360 nan 0.000 0.459 1140 H N 3.463 122.537 119.070 0.006 0.000 2.767 1140 H HA 0.097 4.653 4.556 -0.001 0.000 0.316 1140 H C -0.709 174.618 175.328 -0.002 0.000 1.059 1140 H CA 0.096 56.142 56.048 -0.003 0.000 1.461 1140 H CB 0.707 30.465 29.762 -0.006 0.000 1.475 1140 H HN 0.498 nan 8.280 nan 0.000 0.531 1141 T N 2.331 116.667 114.554 -0.363 0.000 2.928 1141 T HA 0.327 4.676 4.350 -0.001 0.000 0.296 1141 T C -0.098 174.367 174.700 -0.392 0.000 1.000 1141 T CA -0.865 61.033 62.100 -0.337 0.000 0.989 1141 T CB 1.620 70.405 68.868 -0.138 0.000 1.005 1141 T HN 0.632 nan 8.240 nan 0.000 0.442 1142 T N 1.779 116.128 114.554 -0.341 0.000 2.923 1142 T HA 0.506 4.855 4.350 -0.001 0.000 0.281 1142 T C 1.214 175.843 174.700 -0.118 0.000 0.995 1142 T CA -0.999 60.975 62.100 -0.211 0.000 0.985 1142 T CB 0.967 69.735 68.868 -0.166 0.000 1.114 1142 T HN 0.331 nan 8.240 nan 0.000 0.548 1143 L N 0.888 122.068 121.223 -0.072 0.000 2.042 1143 L HA -0.017 4.322 4.340 -0.001 0.000 0.210 1143 L C 2.665 179.511 176.870 -0.040 0.000 1.076 1143 L CA 1.860 56.672 54.840 -0.047 0.000 0.749 1143 L CB -1.288 40.761 42.059 -0.018 0.000 0.893 1143 L HN 0.961 nan 8.230 nan 0.000 0.432 1144 K N -0.739 119.639 120.400 -0.038 0.000 2.127 1144 K HA -0.235 4.084 4.320 -0.001 0.000 0.208 1144 K C 2.122 178.697 176.600 -0.043 0.000 1.047 1144 K CA 1.868 58.136 56.287 -0.032 0.000 0.927 1144 K CB -0.212 32.273 32.500 -0.026 0.000 0.716 1144 K HN 0.503 nan 8.250 nan 0.000 0.450 1145 S N -0.617 115.045 115.700 -0.063 0.000 2.474 1145 S HA -0.056 4.414 4.470 -0.001 0.000 0.235 1145 S C 1.547 176.116 174.600 -0.052 0.000 0.997 1145 S CA 0.967 59.129 58.200 -0.064 0.000 0.949 1145 S CB 0.539 63.688 63.200 -0.085 0.000 0.766 1145 S HN 0.181 nan 8.310 nan 0.000 0.517 1146 V N 0.910 120.796 119.914 -0.047 0.000 3.432 1146 V HA 0.298 4.418 4.120 -0.001 0.000 0.298 1146 V C -0.035 176.043 176.094 -0.028 0.000 1.464 1146 V CA 0.275 62.552 62.300 -0.040 0.000 1.046 1146 V CB 0.612 32.407 31.823 -0.048 0.000 0.887 1146 V HN 0.481 nan 8.190 nan 0.000 0.441 1147 T N 0.592 115.133 114.554 -0.022 0.000 2.771 1147 T HA 0.451 4.800 4.350 -0.001 0.000 0.281 1147 T C 1.084 175.781 174.700 -0.005 0.000 0.982 1147 T CA -0.177 61.917 62.100 -0.010 0.000 0.978 1147 T CB 1.970 70.835 68.868 -0.005 0.000 0.930 1147 T HN 0.028 nan 8.240 nan 0.000 0.447 1148 I N 1.862 122.432 120.570 0.001 0.000 2.162 1148 I HA 0.167 4.336 4.170 -0.001 0.000 0.238 1148 I C 1.311 177.433 176.117 0.009 0.000 1.076 1148 I CA 0.799 62.101 61.300 0.004 0.000 1.353 1148 I CB -0.033 37.972 38.000 0.008 0.000 1.063 1148 I HN 0.627 nan 8.210 nan 0.000 0.408 1149 A N -0.353 122.478 122.820 0.018 0.000 2.606 1149 A HA 0.692 5.012 4.320 -0.001 0.000 0.293 1149 A C -0.813 176.791 177.584 0.033 0.000 1.082 1149 A CA -0.434 51.616 52.037 0.022 0.000 0.685 1149 A CB 1.266 20.281 19.000 0.025 0.000 1.284 1149 A HN 0.143 nan 8.150 nan 0.000 0.408 1150 S N 0.395 116.112 115.700 0.028 0.000 2.482 1150 S HA 0.834 5.303 4.470 -0.001 0.000 0.303 1150 S C -0.816 173.804 174.600 0.033 0.000 1.091 1150 S CA -0.601 57.623 58.200 0.039 0.000 1.057 1150 S CB 1.568 64.784 63.200 0.027 0.000 1.031 1150 S HN 0.689 nan 8.310 nan 0.000 0.485 1151 E N 1.200 121.438 120.200 0.062 0.000 2.367 1151 E HA 0.541 4.891 4.350 -0.001 0.000 0.273 1151 E C -1.259 175.364 176.600 0.038 0.000 0.903 1151 E CA -0.775 55.627 56.400 0.002 0.000 0.764 1151 E CB 2.259 31.948 29.700 -0.018 0.000 1.252 1151 E HN 0.609 nan 8.360 nan 0.000 0.446 1152 I N 2.102 122.637 120.570 -0.058 0.000 2.433 1152 I HA 0.374 4.543 4.170 -0.001 0.000 0.292 1152 I C -1.188 174.927 176.117 -0.004 0.000 1.001 1152 I CA -0.662 60.683 61.300 0.075 0.000 1.119 1152 I CB 0.843 38.897 38.000 0.091 0.000 1.289 1152 I HN 0.411 nan 8.210 nan 0.000 0.438 1153 Y N 4.266 124.702 120.300 0.228 0.000 2.524 1153 Y HA 0.352 4.901 4.550 -0.001 0.000 0.344 1153 Y C -0.541 175.508 175.900 0.248 0.000 1.012 1153 Y CA -0.732 57.493 58.100 0.208 0.000 1.068 1153 Y CB 1.701 40.216 38.460 0.092 0.000 1.249 1153 Y HN 0.378 nan 8.280 nan 0.000 0.468 1154 Y N 2.436 122.828 120.300 0.154 0.000 2.404 1154 Y HA 0.351 4.900 4.550 -0.001 0.000 0.344 1154 Y C -0.705 175.118 175.900 -0.128 0.000 0.995 1154 Y CA -0.376 57.542 58.100 -0.304 0.000 1.201 1154 Y CB 0.551 38.713 38.460 -0.496 0.000 1.151 1154 Y HN 0.568 nan 8.280 nan 0.000 0.517 1155 D N 8.777 128.821 120.400 -0.592 0.000 2.429 1155 D HA 0.261 4.901 4.640 -0.001 0.000 0.255 1155 D C -2.239 173.746 176.300 -0.524 0.000 1.257 1155 D CA -1.752 52.006 54.000 -0.403 0.000 0.890 1155 D CB 1.264 41.948 40.800 -0.194 0.000 1.267 1155 D HN 0.316 nan 8.370 nan 0.000 0.521 1156 P HA 0.034 nan 4.420 nan 0.000 0.224 1156 P C 0.184 177.300 177.300 -0.307 0.000 1.157 1156 P CA 0.286 63.021 63.100 -0.607 0.000 0.799 1156 P CB 0.455 31.797 31.700 -0.597 0.000 0.809 1157 D N 0.680 120.945 120.400 -0.225 0.000 2.393 1157 D HA 0.128 4.767 4.640 -0.001 0.000 0.232 1157 D C -1.415 174.797 176.300 -0.148 0.000 1.192 1157 D CA -2.451 51.458 54.000 -0.152 0.000 0.882 1157 D CB 0.588 41.321 40.800 -0.111 0.000 1.038 1157 D HN -0.149 nan 8.370 nan 0.000 0.499 1158 P HA -0.237 nan 4.420 nan 0.000 0.228 1158 P C 0.828 178.056 177.300 -0.119 0.000 1.153 1158 P CA 1.431 64.441 63.100 -0.152 0.000 0.897 1158 P CB 0.341 31.940 31.700 -0.168 0.000 0.782 1159 R N -5.463 114.975 120.500 -0.104 0.000 2.243 1159 R HA 0.160 4.500 4.340 -0.001 0.000 0.144 1159 R C 0.073 176.329 176.300 -0.074 0.000 0.877 1159 R CA 0.715 56.763 56.100 -0.087 0.000 2.070 1159 R CB -0.165 30.084 30.300 -0.085 0.000 1.527 1159 R HN -0.046 nan 8.270 nan 0.000 0.483 1160 S N -0.011 115.641 115.700 -0.081 0.000 3.187 1160 S HA -0.122 4.347 4.470 -0.001 0.000 0.266 1160 S C -0.142 174.401 174.600 -0.095 0.000 1.355 1160 S CA 0.717 58.869 58.200 -0.081 0.000 0.749 1160 S CB -1.066 62.093 63.200 -0.069 0.000 0.990 1160 S HN 0.378 nan 8.310 nan 0.000 0.744 1161 T N 0.256 114.747 114.554 -0.106 0.000 2.856 1161 T HA 0.243 4.592 4.350 -0.001 0.000 0.329 1161 T C 1.510 176.144 174.700 -0.110 0.000 1.094 1161 T CA 0.816 62.843 62.100 -0.122 0.000 1.112 1161 T CB 0.749 69.536 68.868 -0.136 0.000 1.009 1161 T HN 0.231 nan 8.240 nan 0.000 0.550 1162 V N 3.512 123.351 119.914 -0.125 0.000 2.788 1162 V HA 0.120 4.239 4.120 -0.001 0.000 0.251 1162 V C 0.934 176.963 176.094 -0.109 0.000 1.068 1162 V CA 0.780 63.022 62.300 -0.096 0.000 1.090 1162 V CB -0.242 31.537 31.823 -0.073 0.000 0.710 1162 V HN 0.690 nan 8.190 nan 0.000 0.467 1163 I N 1.588 122.056 120.570 -0.171 0.000 2.421 1163 I HA 0.142 4.311 4.170 -0.001 0.000 0.291 1163 I C -1.184 174.868 176.117 -0.108 0.000 1.089 1163 I CA -1.477 59.723 61.300 -0.166 0.000 1.354 1163 I CB 0.466 38.314 38.000 -0.253 0.000 1.413 1163 I HN 0.068 nan 8.210 nan 0.000 0.513 1164 P HA -0.221 nan 4.420 nan 0.000 0.215 1164 P C 1.196 178.461 177.300 -0.059 0.000 1.163 1164 P CA 1.458 64.525 63.100 -0.055 0.000 0.894 1164 P CB 0.141 31.820 31.700 -0.035 0.000 0.791 1165 E N -1.043 119.124 120.200 -0.056 0.000 2.333 1165 E HA -0.186 4.163 4.350 -0.001 0.000 0.200 1165 E C 0.696 177.257 176.600 -0.065 0.000 1.010 1165 E CA 1.006 57.375 56.400 -0.051 0.000 0.841 1165 E CB -0.420 29.257 29.700 -0.038 0.000 0.757 1165 E HN 0.343 nan 8.360 nan 0.000 0.508 1166 D N -0.488 119.860 120.400 -0.086 0.000 2.369 1166 D HA 0.015 4.655 4.640 -0.001 0.000 0.211 1166 D C 1.117 177.351 176.300 -0.110 0.000 1.077 1166 D CA 0.121 54.062 54.000 -0.098 0.000 0.842 1166 D CB 0.231 40.962 40.800 -0.115 0.000 0.947 1166 D HN 0.141 nan 8.370 nan 0.000 0.509 1167 E N 0.668 120.809 120.200 -0.099 0.000 2.051 1167 E HA -0.208 4.141 4.350 -0.001 0.000 0.192 1167 E C 1.671 178.198 176.600 -0.123 0.000 0.991 1167 E CA 0.903 57.241 56.400 -0.103 0.000 0.799 1167 E CB 0.188 29.842 29.700 -0.078 0.000 0.748 1167 E HN 0.118 nan 8.360 nan 0.000 0.449 1168 E N 0.614 120.750 120.200 -0.108 0.000 2.086 1168 E HA -0.263 4.086 4.350 -0.001 0.000 0.205 1168 E C 1.983 178.476 176.600 -0.178 0.000 1.027 1168 E CA 1.961 58.288 56.400 -0.122 0.000 0.830 1168 E CB -0.279 29.371 29.700 -0.084 0.000 0.751 1168 E HN 0.396 nan 8.360 nan 0.000 0.456 1169 I N -1.202 119.271 120.570 -0.163 0.000 2.617 1169 I HA -0.046 4.124 4.170 -0.001 0.000 0.256 1169 I C 1.533 177.484 176.117 -0.277 0.000 1.167 1169 I CA 0.997 62.177 61.300 -0.200 0.000 1.469 1169 I CB 0.023 37.941 38.000 -0.138 0.000 1.098 1169 I HN 0.120 nan 8.210 nan 0.000 0.436 1170 I N 0.741 121.166 120.570 -0.241 0.000 3.444 1170 I HA -0.066 4.103 4.170 -0.001 0.000 0.287 1170 I C 2.064 177.998 176.117 -0.305 0.000 1.302 1170 I CA 0.708 61.854 61.300 -0.257 0.000 1.368 1170 I CB -0.942 36.957 38.000 -0.168 0.000 1.048 1170 I HN 0.422 nan 8.210 nan 0.000 0.487 1171 Q N 1.005 120.579 119.800 -0.376 0.000 2.014 1171 Q HA -0.161 4.178 4.340 -0.001 0.000 0.207 1171 Q C 0.603 176.254 176.000 -0.582 0.000 0.993 1171 Q CA 1.109 56.648 55.803 -0.439 0.000 0.850 1171 Q CB 0.010 28.468 28.738 -0.467 0.000 0.916 1171 Q HN 0.292 nan 8.270 nan 0.000 0.417 1172 L N 0.747 121.294 121.223 -1.126 0.000 3.088 1172 L HA -0.180 4.159 4.340 -0.001 0.000 0.711 1172 L C -1.451 175.040 176.870 -0.633 0.000 1.162 1172 L CA 0.557 54.797 54.840 -1.000 0.000 1.304 1172 L CB -1.544 39.905 42.059 -1.017 0.000 1.913 1172 L HN 0.525 nan 8.230 nan 0.000 0.917 1173 H N 3.956 122.937 119.070 -0.147 0.000 2.562 1173 H HA 0.639 5.195 4.556 -0.001 0.000 0.352 1173 H C 0.514 175.948 175.328 0.178 0.000 1.125 1173 H CA -0.148 55.914 56.048 0.023 0.000 1.379 1173 H CB 0.252 30.048 29.762 0.056 0.000 1.464 1173 H HN 0.344 nan 8.280 nan 0.000 0.563 1174 F N 0.680 120.677 119.950 0.079 0.000 2.781 1174 F HA -0.296 4.231 4.527 -0.001 0.000 0.350 1174 F C -0.393 175.460 175.800 0.089 0.000 1.048 1174 F CA 0.314 58.357 58.000 0.072 0.000 1.134 1174 F CB -1.536 37.494 39.000 0.051 0.000 1.440 1174 F HN 0.762 nan 8.300 nan 0.000 0.799 1175 S N 0.571 116.396 115.700 0.208 0.000 2.694 1175 S HA 0.010 4.480 4.470 -0.001 0.000 0.784 1175 S C -0.564 174.111 174.600 0.125 0.000 0.785 1175 S CA -0.755 57.512 58.200 0.112 0.000 1.565 1175 S CB 0.057 63.282 63.200 0.042 0.000 1.132 1175 S HN 0.801 nan 8.310 nan 0.000 0.234 1176 L N 3.272 124.536 121.223 0.069 0.000 3.565 1176 L HA -0.211 4.128 4.340 -0.001 0.000 0.574 1176 L C 0.799 177.678 176.870 0.015 0.000 1.024 1176 L CA 0.822 55.681 54.840 0.031 0.000 1.050 1176 L CB -1.181 40.893 42.059 0.025 0.000 1.049 1176 L HN 0.775 nan 8.230 nan 0.000 0.689 1177 L N 1.778 123.001 121.223 0.000 0.000 2.013 1177 L HA 0.110 4.449 4.340 -0.001 0.000 0.204 1177 L C 1.191 178.059 176.870 -0.004 0.000 1.081 1177 L CA 1.748 56.583 54.840 -0.008 0.000 0.751 1177 L CB -0.122 41.926 42.059 -0.018 0.000 0.901 1177 L HN 0.564 nan 8.230 nan 0.000 0.440 1188 Q N 0.892 120.689 119.800 -0.005 0.000 3.016 1188 Q HA 0.010 4.349 4.340 -0.001 0.000 0.192 1188 Q C -1.731 174.253 176.000 -0.026 0.000 0.783 1188 Q CA 0.227 56.007 55.803 -0.038 0.000 1.015 1188 Q CB -0.492 28.165 28.738 -0.136 0.000 0.638 1188 Q HN 0.738 nan 8.270 nan 0.000 0.490 1189 S N 3.237 118.954 115.700 0.027 0.000 2.632 1189 S HA 0.660 5.129 4.470 -0.001 0.000 0.267 1189 S C -1.340 173.235 174.600 -0.042 0.000 1.276 1189 S CA -0.314 57.922 58.200 0.060 0.000 0.998 1189 S CB 1.112 64.440 63.200 0.214 0.000 0.953 1189 S HN 0.567 nan 8.310 nan 0.000 0.547 1190 P HA 0.025 nan 4.420 nan 0.000 0.230 1190 P C -0.442 176.536 177.300 -0.536 0.000 1.158 1190 P CA 0.499 63.303 63.100 -0.493 0.000 0.769 1190 P CB -0.094 31.139 31.700 -0.778 0.000 0.807 1191 W N 0.951 122.223 121.300 -0.047 0.000 2.272 1191 W HA 0.436 5.095 4.660 -0.001 0.000 0.318 1191 W C 0.279 176.817 176.519 0.030 0.000 1.255 1191 W CA -0.612 56.749 57.345 0.027 0.000 1.200 1191 W CB 0.380 29.886 29.460 0.076 0.000 1.170 1191 W HN -0.185 nan 8.180 nan 0.000 0.549 1192 L N 5.176 126.583 121.223 0.307 0.000 2.381 1192 L HA 0.560 4.899 4.340 -0.001 0.000 0.274 1192 L C -1.341 175.685 176.870 0.261 0.000 0.988 1192 L CA -0.971 54.002 54.840 0.221 0.000 0.824 1192 L CB 1.031 43.181 42.059 0.152 0.000 1.263 1192 L HN 0.361 nan 8.230 nan 0.000 0.410 1193 L N 5.542 126.876 121.223 0.185 0.000 2.292 1193 L HA 0.645 4.984 4.340 -0.001 0.000 0.284 1193 L C -0.546 176.414 176.870 0.150 0.000 1.065 1193 L CA 0.080 55.012 54.840 0.153 0.000 0.806 1193 L CB 1.006 43.115 42.059 0.084 0.000 1.175 1193 L HN 0.840 nan 8.230 nan 0.000 0.431 1194 R N 5.924 126.527 120.500 0.171 0.000 2.514 1194 R HA 0.606 4.946 4.340 -0.001 0.000 0.296 1194 R C -2.028 174.347 176.300 0.124 0.000 1.012 1194 R CA -0.628 55.563 56.100 0.152 0.000 0.897 1194 R CB 0.970 31.391 30.300 0.202 0.000 1.184 1194 R HN 0.735 nan 8.270 nan 0.000 0.440 1195 L N 3.006 124.283 121.223 0.089 0.000 2.331 1195 L HA 0.496 4.836 4.340 -0.001 0.000 0.275 1195 L C -0.174 176.732 176.870 0.059 0.000 1.022 1195 L CA -0.791 54.089 54.840 0.067 0.000 0.812 1195 L CB 1.874 43.961 42.059 0.048 0.000 1.257 1195 L HN 0.718 nan 8.230 nan 0.000 0.435 1196 E N 3.630 123.859 120.200 0.048 0.000 2.155 1196 E HA 0.467 4.817 4.350 -0.001 0.000 0.264 1196 E C -1.468 175.144 176.600 0.021 0.000 0.886 1196 E CA -0.567 55.856 56.400 0.038 0.000 0.752 1196 E CB 1.252 30.978 29.700 0.043 0.000 1.133 1196 E HN 0.487 nan 8.360 nan 0.000 0.414 1197 L N 3.288 124.520 121.223 0.014 0.000 2.322 1197 L HA 0.344 4.684 4.340 -0.001 0.000 0.279 1197 L C 0.025 176.894 176.870 -0.002 0.000 1.036 1197 L CA -1.091 53.749 54.840 -0.001 0.000 0.807 1197 L CB 1.280 43.331 42.059 -0.013 0.000 1.226 1197 L HN 0.617 nan 8.230 nan 0.000 0.433 1198 D N 1.826 122.221 120.400 -0.008 0.000 2.338 1198 D HA 0.040 4.679 4.640 -0.001 0.000 0.255 1198 D C 1.175 177.469 176.300 -0.011 0.000 1.237 1198 D CA 0.011 54.006 54.000 -0.008 0.000 0.883 1198 D CB 0.870 41.663 40.800 -0.011 0.000 1.087 1198 D HN 0.400 nan 8.370 nan 0.000 0.485 1199 R N 3.369 123.865 120.500 -0.006 0.000 2.117 1199 R HA -0.229 4.111 4.340 -0.001 0.000 0.243 1199 R C 1.679 177.974 176.300 -0.009 0.000 1.143 1199 R CA 1.568 57.663 56.100 -0.007 0.000 0.968 1199 R CB -0.111 30.188 30.300 -0.002 0.000 0.863 1199 R HN 0.598 nan 8.270 nan 0.000 0.444 1200 A N 0.722 123.537 122.820 -0.008 0.000 1.835 1200 A HA -0.117 4.203 4.320 -0.001 0.000 0.215 1200 A C 2.352 179.930 177.584 -0.010 0.000 1.199 1200 A CA 1.738 53.770 52.037 -0.008 0.000 0.615 1200 A CB -1.034 17.961 19.000 -0.008 0.000 0.838 1200 A HN 0.493 nan 8.150 nan 0.000 0.444 1201 A N -1.286 121.524 122.820 -0.015 0.000 2.076 1201 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 1201 A C 2.160 179.733 177.584 -0.020 0.000 1.160 1201 A CA 1.958 53.983 52.037 -0.019 0.000 0.653 1201 A CB -0.515 18.467 19.000 -0.028 0.000 0.801 1201 A HN 0.478 nan 8.150 nan 0.000 0.455 1202 M N -0.090 119.497 119.600 -0.021 0.000 2.064 1202 M HA -0.111 4.369 4.480 -0.001 0.000 0.260 1202 M C 1.838 178.125 176.300 -0.022 0.000 1.073 1202 M CA 1.402 56.686 55.300 -0.027 0.000 1.124 1202 M CB -1.638 30.946 32.600 -0.028 0.000 1.326 1202 M HN 0.404 nan 8.290 nan 0.000 0.410 1203 N N 1.013 119.703 118.700 -0.016 0.000 2.036 1203 N HA -0.210 4.529 4.740 -0.001 0.000 0.195 1203 N C 1.274 176.778 175.510 -0.010 0.000 1.037 1203 N CA 1.746 54.788 53.050 -0.013 0.000 0.855 1203 N CB -0.882 37.600 38.487 -0.010 0.000 1.033 1203 N HN 0.382 nan 8.380 nan 0.000 0.423 1204 D N 0.208 120.608 120.400 -0.000 0.000 2.389 1204 D HA -0.093 4.547 4.640 -0.001 0.000 0.221 1204 D C 0.409 176.725 176.300 0.026 0.000 0.974 1204 D CA 0.998 55.010 54.000 0.020 0.000 0.923 1204 D CB 0.121 40.945 40.800 0.040 0.000 0.892 1204 D HN 0.284 nan 8.370 nan 0.000 0.518 1205 K N -0.374 120.028 120.400 0.003 0.000 2.501 1205 K HA 0.059 4.378 4.320 -0.001 0.000 0.204 1205 K C -0.299 176.288 176.600 -0.022 0.000 1.067 1205 K CA 0.009 56.294 56.287 -0.002 0.000 1.060 1205 K CB 0.881 33.377 32.500 -0.007 0.000 0.873 1205 K HN -0.113 nan 8.250 nan 0.000 0.540 1206 D N 1.913 122.299 120.400 -0.025 0.000 2.803 1206 D HA -0.193 4.446 4.640 -0.001 0.000 0.233 1206 D C -1.299 174.981 176.300 -0.034 0.000 1.182 1206 D CA 0.803 54.785 54.000 -0.029 0.000 0.726 1206 D CB -0.938 39.843 40.800 -0.031 0.000 0.987 1206 D HN 0.236 nan 8.370 nan 0.000 0.412 1207 L N 1.307 122.507 121.223 -0.038 0.000 2.381 1207 L HA 0.471 4.811 4.340 -0.001 0.000 0.274 1207 L C 0.979 177.815 176.870 -0.057 0.000 0.988 1207 L CA -0.595 54.212 54.840 -0.054 0.000 0.824 1207 L CB 2.005 44.026 42.059 -0.063 0.000 1.263 1207 L HN 0.189 nan 8.230 nan 0.000 0.410 1208 T N -0.945 113.569 114.554 -0.067 0.000 2.897 1208 T HA 0.321 4.670 4.350 -0.001 0.000 0.278 1208 T C 1.204 175.825 174.700 -0.132 0.000 0.981 1208 T CA -0.890 61.171 62.100 -0.066 0.000 0.973 1208 T CB 1.347 70.194 68.868 -0.036 0.000 1.092 1208 T HN 0.314 nan 8.240 nan 0.000 0.543 1209 M N 1.122 120.649 119.600 -0.121 0.000 2.059 1209 M HA 0.057 4.536 4.480 -0.001 0.000 0.259 1209 M C 2.744 178.677 176.300 -0.612 0.000 1.072 1209 M CA 2.162 57.295 55.300 -0.278 0.000 1.117 1209 M CB -2.185 30.400 32.600 -0.024 0.000 1.320 1209 M HN 0.981 nan 8.290 nan 0.000 0.408 1210 G N -0.729 107.911 108.800 -0.267 0.000 2.475 1210 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.220 1210 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.220 1210 G C 1.581 176.293 174.900 -0.314 0.000 1.125 1210 G CA 0.982 45.962 45.100 -0.200 0.000 0.755 1210 G HN 0.551 nan 8.290 nan 0.000 0.565 1211 Q N -0.607 119.051 119.800 -0.237 0.000 2.020 1211 Q HA -0.011 4.329 4.340 -0.001 0.000 0.198 1211 Q C 2.928 178.773 176.000 -0.259 0.000 0.974 1211 Q CA 1.313 57.003 55.803 -0.189 0.000 0.829 1211 Q CB -0.156 28.511 28.738 -0.119 0.000 0.894 1211 Q HN 0.375 nan 8.270 nan 0.000 0.433 1212 V N 0.259 119.983 119.914 -0.317 0.000 2.343 1212 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 1212 V C 2.146 177.990 176.094 -0.416 0.000 1.051 1212 V CA 1.951 64.071 62.300 -0.299 0.000 1.036 1212 V CB -1.203 30.466 31.823 -0.257 0.000 0.654 1212 V HN 0.554 nan 8.190 nan 0.000 0.451 1213 G N -0.497 107.805 108.800 -0.831 0.000 2.480 1213 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 1213 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 1213 G C 1.456 176.011 174.900 -0.575 0.000 1.200 1213 G CA 0.641 45.020 45.100 -1.203 0.000 0.782 1213 G HN 0.433 nan 8.290 nan 0.000 0.554 1214 E N 0.085 120.012 120.200 -0.455 0.000 2.267 1214 E HA -0.093 4.256 4.350 -0.001 0.000 0.197 1214 E C 2.508 179.066 176.600 -0.070 0.000 0.998 1214 E CA 0.572 56.908 56.400 -0.106 0.000 0.830 1214 E CB -0.019 29.652 29.700 -0.048 0.000 0.751 1214 E HN 0.323 nan 8.360 nan 0.000 0.491 1215 R N 0.167 120.596 120.500 -0.118 0.000 2.080 1215 R HA 0.119 4.458 4.340 -0.001 0.000 0.222 1215 R C 2.332 178.610 176.300 -0.037 0.000 1.107 1215 R CA 0.541 56.596 56.100 -0.074 0.000 0.980 1215 R CB -0.255 29.991 30.300 -0.091 0.000 0.879 1215 R HN 0.100 nan 8.270 nan 0.000 0.439 1216 I N 0.566 121.127 120.570 -0.015 0.000 2.127 1216 I HA -0.313 3.856 4.170 -0.001 0.000 0.241 1216 I C 2.338 178.557 176.117 0.169 0.000 1.075 1216 I CA 1.452 62.817 61.300 0.107 0.000 1.334 1216 I CB -0.361 37.713 38.000 0.123 0.000 1.040 1216 I HN 0.207 nan 8.210 nan 0.000 0.405 1217 K N 0.968 121.442 120.400 0.124 0.000 2.009 1217 K HA -0.231 4.088 4.320 -0.001 0.000 0.210 1217 K C 1.711 178.379 176.600 0.114 0.000 1.049 1217 K CA 1.740 58.121 56.287 0.156 0.000 0.929 1217 K CB -0.141 32.451 32.500 0.153 0.000 0.714 1217 K HN 0.454 nan 8.250 nan 0.000 0.440 1218 Q N -0.086 119.742 119.800 0.047 0.000 2.259 1218 Q HA 0.022 4.362 4.340 -0.001 0.000 0.228 1218 Q C -0.055 175.909 176.000 -0.060 0.000 0.909 1218 Q CA 0.483 56.291 55.803 0.008 0.000 0.948 1218 Q CB 0.553 29.291 28.738 0.001 0.000 1.041 1218 Q HN 0.113 nan 8.270 nan 0.000 0.445 1219 T N -0.867 113.617 114.554 -0.117 0.000 2.999 1219 T HA 0.170 4.519 4.350 -0.001 0.000 0.247 1219 T C 0.275 174.669 174.700 -0.511 0.000 1.012 1219 T CA 0.091 61.961 62.100 -0.382 0.000 1.048 1219 T CB 0.117 68.604 68.868 -0.635 0.000 1.020 1219 T HN 0.357 nan 8.240 nan 0.000 0.478 1220 F N 2.730 122.698 119.950 0.029 0.000 2.735 1220 F HA 0.349 4.875 4.527 -0.001 0.000 0.304 1220 F C 1.655 177.480 175.800 0.042 0.000 1.119 1220 F CA -1.110 56.912 58.000 0.037 0.000 1.280 1220 F CB 0.152 39.179 39.000 0.046 0.000 0.994 1220 F HN -0.101 nan 8.300 nan 0.000 0.520 1221 K N 1.346 121.829 120.400 0.138 0.000 2.097 1221 K HA -0.382 3.937 4.320 -0.001 0.000 0.217 1221 K C 1.138 177.819 176.600 0.135 0.000 0.806 1221 K CA 2.659 59.016 56.287 0.116 0.000 1.017 1221 K CB -1.507 31.032 32.500 0.065 0.000 0.803 1221 K HN 0.452 nan 8.250 nan 0.000 0.628 1222 N N 2.051 120.820 118.700 0.116 0.000 2.398 1222 N HA -0.073 4.666 4.740 -0.001 0.000 0.188 1222 N C -0.099 175.486 175.510 0.125 0.000 1.122 1222 N CA 1.215 54.332 53.050 0.111 0.000 0.866 1222 N CB -0.149 38.388 38.487 0.083 0.000 0.970 1222 N HN 0.609 nan 8.380 nan 0.000 0.462 1223 D N -0.652 119.835 120.400 0.145 0.000 2.755 1223 D HA 0.288 4.927 4.640 -0.001 0.000 0.257 1223 D C -0.660 175.720 176.300 0.134 0.000 1.291 1223 D CA -0.568 53.512 54.000 0.134 0.000 0.836 1223 D CB 0.018 40.889 40.800 0.117 0.000 1.059 1223 D HN 0.029 nan 8.370 nan 0.000 0.486 1224 L N 0.703 122.018 121.223 0.152 0.000 2.505 1224 L HA 0.497 4.836 4.340 -0.001 0.000 0.266 1224 L C -1.842 175.131 176.870 0.171 0.000 0.954 1224 L CA -1.147 53.752 54.840 0.098 0.000 0.852 1224 L CB 1.847 43.897 42.059 -0.016 0.000 1.282 1224 L HN 0.101 nan 8.230 nan 0.000 0.403 1225 F N 5.747 125.723 119.950 0.043 0.000 2.420 1225 F HA 0.717 5.243 4.527 -0.001 0.000 0.352 1225 F C -0.692 175.155 175.800 0.080 0.000 1.108 1225 F CA -0.177 57.859 58.000 0.060 0.000 1.162 1225 F CB 0.918 39.944 39.000 0.042 0.000 1.118 1225 F HN 0.195 nan 8.300 nan 0.000 0.510 1226 V N 8.132 127.717 119.914 -0.548 0.000 2.686 1226 V HA 0.503 4.622 4.120 -0.001 0.000 0.306 1226 V C -0.212 175.621 176.094 -0.435 0.000 1.065 1226 V CA -0.756 61.387 62.300 -0.261 0.000 0.894 1226 V CB 1.490 33.350 31.823 0.062 0.000 1.004 1226 V HN 0.751 nan 8.190 nan 0.000 0.424 1227 I N 1.280 121.708 120.570 -0.236 0.000 3.264 1227 I HA 0.887 5.057 4.170 -0.001 0.000 0.315 1227 I C -1.729 174.424 176.117 0.061 0.000 1.154 1227 I CA -0.875 60.245 61.300 -0.300 0.000 0.962 1227 I CB 2.583 40.371 38.000 -0.354 0.000 1.265 1227 I HN 0.889 nan 8.210 nan 0.000 0.463 1228 W N 1.034 122.294 121.300 -0.067 0.000 3.248 1228 W HA 0.687 5.347 4.660 -0.001 0.000 0.311 1228 W C -0.921 175.567 176.519 -0.052 0.000 1.258 1228 W CA -0.837 56.478 57.345 -0.051 0.000 1.191 1228 W CB 0.011 29.449 29.460 -0.037 0.000 1.389 1228 W HN 0.833 nan 8.180 nan 0.000 0.561 1229 S N 0.245 116.062 115.700 0.196 0.000 2.584 1229 S HA 0.338 4.808 4.470 -0.001 0.000 0.270 1229 S C -0.026 174.694 174.600 0.200 0.000 1.346 1229 S CA -0.225 58.031 58.200 0.093 0.000 1.018 1229 S CB 1.533 64.768 63.200 0.059 0.000 0.899 1229 S HN 0.663 nan 8.310 nan 0.000 0.542 1230 E N -0.392 119.870 120.200 0.103 0.000 2.322 1230 E HA 0.185 4.534 4.350 -0.001 0.000 0.257 1230 E C 0.514 177.182 176.600 0.114 0.000 1.155 1230 E CA -0.543 55.942 56.400 0.141 0.000 0.936 1230 E CB 0.508 30.248 29.700 0.068 0.000 1.130 1230 E HN 0.703 nan 8.360 nan 0.000 0.465 1231 D N 0.480 120.943 120.400 0.105 0.000 2.178 1231 D HA -0.131 4.508 4.640 -0.001 0.000 0.202 1231 D C 0.907 177.232 176.300 0.041 0.000 0.974 1231 D CA 1.004 55.042 54.000 0.063 0.000 0.841 1231 D CB 0.066 40.899 40.800 0.054 0.000 0.953 1231 D HN 0.233 nan 8.370 nan 0.000 0.478 1232 N N 0.707 119.431 118.700 0.039 0.000 2.398 1232 N HA -0.040 4.699 4.740 -0.001 0.000 0.188 1232 N C -0.595 174.927 175.510 0.020 0.000 1.122 1232 N CA 0.116 53.181 53.050 0.026 0.000 0.866 1232 N CB 0.243 38.745 38.487 0.024 0.000 0.970 1232 N HN 0.001 nan 8.380 nan 0.000 0.462 1233 D N -0.363 120.051 120.400 0.024 0.000 2.339 1233 D HA 0.011 4.650 4.640 -0.001 0.000 0.245 1233 D C 1.279 177.587 176.300 0.014 0.000 1.115 1233 D CA 0.020 54.028 54.000 0.015 0.000 0.917 1233 D CB 0.901 41.711 40.800 0.016 0.000 1.192 1233 D HN 0.310 nan 8.370 nan 0.000 0.428 1234 E N 0.919 121.123 120.200 0.007 0.000 2.107 1234 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 1234 E C -0.018 176.587 176.600 0.008 0.000 0.982 1234 E CA 0.844 57.248 56.400 0.006 0.000 0.809 1234 E CB 0.197 29.899 29.700 0.002 0.000 0.756 1234 E HN 0.171 nan 8.360 nan 0.000 0.459 1235 K N 0.682 121.087 120.400 0.009 0.000 2.203 1235 K HA 0.458 4.778 4.320 -0.001 0.000 0.251 1235 K C -0.957 175.657 176.600 0.022 0.000 0.944 1235 K CA -0.683 55.612 56.287 0.013 0.000 0.829 1235 K CB 1.828 34.334 32.500 0.009 0.000 1.125 1235 K HN -0.020 nan 8.250 nan 0.000 0.430 1236 L N 4.191 125.428 121.223 0.024 0.000 2.265 1236 L HA 0.495 4.834 4.340 -0.001 0.000 0.289 1236 L C -0.612 176.283 176.870 0.041 0.000 1.033 1236 L CA -0.446 54.414 54.840 0.034 0.000 0.814 1236 L CB 0.494 42.563 42.059 0.017 0.000 1.203 1236 L HN 0.445 nan 8.230 nan 0.000 0.423 1237 I N 4.577 125.187 120.570 0.068 0.000 2.571 1237 I HA 0.400 4.570 4.170 -0.001 0.000 0.289 1237 I C -0.678 175.510 176.117 0.118 0.000 1.115 1237 I CA -0.109 61.234 61.300 0.070 0.000 1.045 1237 I CB 2.349 40.375 38.000 0.043 0.000 1.238 1237 I HN 0.429 nan 8.210 nan 0.000 0.424 1238 I N 6.059 126.692 120.570 0.106 0.000 2.404 1238 I HA 0.525 4.695 4.170 -0.001 0.000 0.293 1238 I C -0.332 175.850 176.117 0.108 0.000 0.992 1238 I CA -0.712 60.673 61.300 0.141 0.000 1.149 1238 I CB 1.515 39.581 38.000 0.111 0.000 1.315 1238 I HN 0.406 nan 8.210 nan 0.000 0.446 1239 R N 5.036 125.601 120.500 0.109 0.000 2.494 1239 R HA 0.758 5.097 4.340 -0.001 0.000 0.305 1239 R C -1.409 174.951 176.300 0.101 0.000 0.959 1239 R CA -0.560 55.594 56.100 0.090 0.000 0.864 1239 R CB 1.887 32.226 30.300 0.064 0.000 1.159 1239 R HN 0.670 nan 8.270 nan 0.000 0.446 1240 C N 1.561 120.927 119.300 0.110 0.000 2.783 1240 C HA 0.619 5.078 4.460 -0.001 0.000 0.312 1240 C C -0.528 174.546 174.990 0.140 0.000 1.182 1240 C CA -1.334 57.753 59.018 0.114 0.000 1.432 1240 C CB 1.830 29.596 27.740 0.042 0.000 1.933 1240 C HN 0.844 nan 8.230 nan 0.000 0.473 1241 R N 1.105 121.719 120.500 0.191 0.000 2.621 1241 R HA 0.651 4.991 4.340 -0.001 0.000 0.292 1241 R C -1.235 175.140 176.300 0.126 0.000 0.969 1241 R CA -0.689 55.507 56.100 0.160 0.000 0.887 1241 R CB 1.843 32.237 30.300 0.157 0.000 1.180 1241 R HN 0.553 nan 8.270 nan 0.000 0.450 1242 V N 3.304 123.267 119.914 0.083 0.000 2.540 1242 V HA -0.016 4.103 4.120 -0.001 0.000 0.297 1242 V C 0.755 176.895 176.094 0.078 0.000 1.024 1242 V CA 0.252 62.587 62.300 0.058 0.000 1.105 1242 V CB 0.952 32.805 31.823 0.049 0.000 0.938 1242 V HN 0.485 nan 8.190 nan 0.000 0.482 1254 A N 1.089 123.944 122.820 0.059 0.000 5.553 1254 A HA -0.353 3.966 4.320 -0.001 0.000 0.268 1254 A C 1.346 178.941 177.584 0.018 0.000 2.171 1254 A CA 2.464 54.534 52.037 0.056 0.000 0.714 1254 A CB -1.912 17.101 19.000 0.023 0.000 1.097 1254 A HN 0.620 nan 8.150 nan 0.000 0.349 1255 E N 0.697 120.875 120.200 -0.036 0.000 2.033 1255 E HA -0.112 4.237 4.350 -0.001 0.000 0.199 1255 E C 0.733 177.245 176.600 -0.147 0.000 1.011 1255 E CA 2.352 58.693 56.400 -0.097 0.000 0.815 1255 E CB -0.170 29.439 29.700 -0.151 0.000 0.755 1255 E HN 1.386 nan 8.360 nan 0.000 0.451 1256 E N 0.142 120.191 120.200 -0.251 0.000 2.332 1256 E HA 0.012 4.362 4.350 -0.001 0.000 0.262 1256 E C -1.644 174.630 176.600 -0.544 0.000 1.088 1256 E CA 0.126 56.370 56.400 -0.261 0.000 0.650 1256 E CB -1.098 28.547 29.700 -0.092 0.000 1.086 1256 E HN 0.286 nan 8.360 nan 0.000 0.426 1257 D N 3.268 123.104 120.400 -0.940 0.000 2.348 1257 D HA 0.008 4.648 4.640 -0.001 0.000 0.259 1257 D C 0.231 176.406 176.300 -0.208 0.000 1.296 1257 D CA 0.484 54.152 54.000 -0.553 0.000 0.931 1257 D CB -0.039 40.321 40.800 -0.734 0.000 1.067 1257 D HN 0.551 nan 8.370 nan 0.000 0.503 1258 H N 2.533 121.483 119.070 -0.199 0.000 3.609 1258 H HA -0.189 4.366 4.556 -0.001 0.000 0.357 1258 H C -1.074 174.182 175.328 -0.121 0.000 1.049 1258 H CA -0.373 55.598 56.048 -0.128 0.000 1.107 1258 H CB -0.825 28.867 29.762 -0.116 0.000 1.488 1258 H HN 0.584 nan 8.280 nan 0.000 0.379 1259 M N 5.808 125.248 119.600 -0.268 0.000 2.474 1259 M HA 0.048 4.527 4.480 -0.001 0.000 0.352 1259 M C 0.441 176.712 176.300 -0.049 0.000 1.690 1259 M CA 1.335 56.585 55.300 -0.083 0.000 1.112 1259 M CB -0.051 32.508 32.600 -0.069 0.000 2.062 1259 M HN 0.740 nan 8.290 nan 0.000 0.461 1260 L N 3.152 124.376 121.223 0.002 0.000 1.768 1260 L HA -0.042 4.297 4.340 -0.001 0.000 0.209 1260 L C 0.954 177.826 176.870 0.004 0.000 1.261 1260 L CA 0.748 55.578 54.840 -0.017 0.000 1.367 1260 L CB -0.555 41.480 42.059 -0.040 0.000 2.595 1260 L HN 0.611 nan 8.230 nan 0.000 0.489 1261 K N 0.427 120.848 120.400 0.036 0.000 2.283 1261 K HA -0.042 4.277 4.320 -0.001 0.000 0.202 1261 K C 1.411 178.017 176.600 0.010 0.000 1.048 1261 K CA 1.519 57.808 56.287 0.003 0.000 0.948 1261 K CB 0.072 32.539 32.500 -0.055 0.000 0.742 1261 K HN 0.364 nan 8.250 nan 0.000 0.458 1262 K N 0.681 121.112 120.400 0.051 0.000 2.005 1262 K HA -0.014 4.306 4.320 -0.001 0.000 0.206 1262 K C 1.998 178.633 176.600 0.058 0.000 1.044 1262 K CA 1.007 57.329 56.287 0.059 0.000 0.942 1262 K CB -0.128 32.425 32.500 0.088 0.000 0.727 1262 K HN -0.003 nan 8.250 nan 0.000 0.439 1263 I N 1.881 122.473 120.570 0.036 0.000 2.113 1263 I HA -0.391 3.778 4.170 -0.001 0.000 0.242 1263 I C 2.693 178.824 176.117 0.024 0.000 1.057 1263 I CA 1.884 63.184 61.300 -0.001 0.000 1.314 1263 I CB -0.496 37.402 38.000 -0.170 0.000 1.022 1263 I HN 0.323 nan 8.210 nan 0.000 0.408 1264 E N 1.621 121.823 120.200 0.003 0.000 2.136 1264 E HA -0.337 4.012 4.350 -0.001 0.000 0.208 1264 E C 1.927 178.553 176.600 0.043 0.000 1.035 1264 E CA 2.379 58.791 56.400 0.020 0.000 0.838 1264 E CB -0.397 29.308 29.700 0.009 0.000 0.748 1264 E HN 0.438 nan 8.360 nan 0.000 0.459 1265 N N -0.886 117.840 118.700 0.043 0.000 2.173 1265 N HA -0.071 4.668 4.740 -0.001 0.000 0.184 1265 N C 1.494 177.045 175.510 0.070 0.000 1.025 1265 N CA 1.851 54.926 53.050 0.043 0.000 0.852 1265 N CB -0.312 38.191 38.487 0.026 0.000 0.998 1265 N HN 0.316 nan 8.380 nan 0.000 0.427 1266 T N 1.255 115.872 114.554 0.105 0.000 2.869 1266 T HA -0.124 4.226 4.350 -0.001 0.000 0.270 1266 T C 1.940 176.744 174.700 0.174 0.000 1.082 1266 T CA 1.037 63.225 62.100 0.147 0.000 1.123 1266 T CB 0.039 69.050 68.868 0.237 0.000 0.856 1266 T HN 0.292 nan 8.240 nan 0.000 0.499 1267 M N -0.025 119.679 119.600 0.173 0.000 2.257 1267 M HA 0.165 4.644 4.480 -0.001 0.000 0.260 1267 M C 2.281 178.629 176.300 0.080 0.000 1.102 1267 M CA 1.164 56.562 55.300 0.163 0.000 1.169 1267 M CB -0.481 32.207 32.600 0.146 0.000 1.323 1267 M HN 0.184 nan 8.290 nan 0.000 0.447 1268 L N -0.093 121.163 121.223 0.055 0.000 2.017 1268 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 1268 L C 2.502 179.381 176.870 0.016 0.000 1.073 1268 L CA 1.392 56.247 54.840 0.025 0.000 0.745 1268 L CB -0.669 41.401 42.059 0.017 0.000 0.894 1268 L HN 0.364 nan 8.230 nan 0.000 0.432 1269 E N -0.018 120.199 120.200 0.027 0.000 2.076 1269 E HA -0.101 4.248 4.350 -0.001 0.000 0.190 1269 E C 1.033 177.654 176.600 0.034 0.000 0.979 1269 E CA 0.881 57.296 56.400 0.026 0.000 0.807 1269 E CB 0.115 29.832 29.700 0.028 0.000 0.761 1269 E HN 0.481 nan 8.360 nan 0.000 0.454 1270 N N 0.067 118.790 118.700 0.039 0.000 2.187 1270 N HA 0.107 4.847 4.740 -0.001 0.000 0.212 1270 N C -0.197 175.323 175.510 0.018 0.000 1.152 1270 N CA 0.085 53.156 53.050 0.034 0.000 0.872 1270 N CB 1.036 39.536 38.487 0.023 0.000 1.025 1270 N HN 0.046 nan 8.380 nan 0.000 0.514 1271 I N 0.588 121.168 120.570 0.016 0.000 2.353 1271 I HA 0.211 4.381 4.170 -0.001 0.000 0.293 1271 I C 0.694 176.813 176.117 0.004 0.000 0.992 1271 I CA -0.259 61.038 61.300 -0.005 0.000 1.268 1271 I CB 1.100 39.097 38.000 -0.005 0.000 1.387 1271 I HN -0.214 nan 8.210 nan 0.000 0.478 1272 T N 6.363 120.933 114.554 0.027 0.000 2.733 1272 T HA 0.491 4.840 4.350 -0.001 0.000 0.294 1272 T C 1.221 175.919 174.700 -0.004 0.000 0.956 1272 T CA -0.395 61.739 62.100 0.056 0.000 0.987 1272 T CB 0.467 69.466 68.868 0.219 0.000 0.920 1272 T HN 0.452 nan 8.240 nan 0.000 0.470 1273 L N 3.755 124.949 121.223 -0.048 0.000 2.062 1273 L HA 0.361 4.700 4.340 -0.001 0.000 0.202 1273 L C 1.555 178.404 176.870 -0.035 0.000 1.079 1273 L CA 0.635 55.442 54.840 -0.055 0.000 0.755 1273 L CB -0.030 41.982 42.059 -0.079 0.000 0.913 1273 L HN 0.445 nan 8.230 nan 0.000 0.445 1274 R N -1.018 119.466 120.500 -0.027 0.000 2.888 1274 R HA 0.558 4.898 4.340 -0.001 0.000 0.266 1274 R C -0.420 175.912 176.300 0.053 0.000 1.020 1274 R CA -0.005 56.094 56.100 -0.001 0.000 0.963 1274 R CB 1.973 32.264 30.300 -0.016 0.000 1.197 1274 R HN 0.262 nan 8.270 nan 0.000 0.481 1275 G N 0.105 108.940 108.800 0.058 0.000 2.728 1275 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.294 1275 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.294 1275 G C -1.265 173.697 174.900 0.104 0.000 1.342 1275 G CA -0.730 44.425 45.100 0.091 0.000 0.866 1275 G HN 0.411 nan 8.290 nan 0.000 0.534 1276 V N 0.263 120.216 119.914 0.065 0.000 2.667 1276 V HA 0.489 4.608 4.120 -0.001 0.000 0.308 1276 V C 1.546 177.536 176.094 -0.172 0.000 1.048 1276 V CA 0.474 62.755 62.300 -0.032 0.000 0.928 1276 V CB 1.652 33.460 31.823 -0.024 0.000 1.004 1276 V HN 1.014 nan 8.190 nan 0.000 0.444 1277 E N 2.547 122.599 120.200 -0.246 0.000 2.118 1277 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 1277 E C 1.063 177.442 176.600 -0.367 0.000 0.992 1277 E CA 1.406 57.546 56.400 -0.434 0.000 0.804 1277 E CB 0.202 29.746 29.700 -0.260 0.000 0.741 1277 E HN 0.700 nan 8.360 nan 0.000 0.458 1278 N N -0.046 118.544 118.700 -0.184 0.000 2.280 1278 N HA 0.058 4.797 4.740 -0.001 0.000 0.192 1278 N C -0.506 174.974 175.510 -0.049 0.000 1.109 1278 N CA 0.144 53.127 53.050 -0.110 0.000 0.855 1278 N CB 0.611 39.053 38.487 -0.074 0.000 0.974 1278 N HN 0.074 nan 8.380 nan 0.000 0.482 1279 I N 2.109 122.661 120.570 -0.029 0.000 2.256 1279 I HA 0.034 4.204 4.170 -0.001 0.000 0.294 1279 I C 1.382 177.545 176.117 0.076 0.000 1.127 1279 I CA 0.020 61.334 61.300 0.023 0.000 1.247 1279 I CB 0.739 38.751 38.000 0.020 0.000 1.460 1279 I HN -0.151 nan 8.210 nan 0.000 0.511 1280 E N 5.369 125.606 120.200 0.061 0.000 2.076 1280 E HA -0.026 4.323 4.350 -0.001 0.000 0.190 1280 E C 0.581 177.218 176.600 0.063 0.000 0.979 1280 E CA 0.730 57.174 56.400 0.073 0.000 0.807 1280 E CB 0.052 29.782 29.700 0.050 0.000 0.761 1280 E HN 0.605 nan 8.360 nan 0.000 0.454 1281 R N -0.984 119.552 120.500 0.060 0.000 2.698 1281 R HA 0.603 4.942 4.340 -0.001 0.000 0.275 1281 R C -1.340 175.013 176.300 0.089 0.000 1.001 1281 R CA -0.706 55.442 56.100 0.081 0.000 0.896 1281 R CB 1.627 31.960 30.300 0.055 0.000 1.218 1281 R HN -0.223 nan 8.270 nan 0.000 0.462 1282 V N 2.752 122.744 119.914 0.130 0.000 2.443 1282 V HA 0.430 4.550 4.120 -0.001 0.000 0.293 1282 V C -0.714 175.414 176.094 0.055 0.000 1.021 1282 V CA -0.808 61.530 62.300 0.063 0.000 0.848 1282 V CB 1.714 33.545 31.823 0.013 0.000 0.998 1282 V HN 0.624 nan 8.190 nan 0.000 0.424 1283 V N 6.069 126.008 119.914 0.043 0.000 2.483 1283 V HA 0.489 4.608 4.120 -0.001 0.000 0.295 1283 V C 0.221 176.305 176.094 -0.016 0.000 1.035 1283 V CA -0.476 61.845 62.300 0.034 0.000 0.896 1283 V CB 1.962 33.830 31.823 0.075 0.000 0.986 1283 V HN 0.829 nan 8.190 nan 0.000 0.447 1284 M N 5.478 125.057 119.600 -0.036 0.000 2.250 1284 M HA 0.491 4.971 4.480 -0.001 0.000 0.344 1284 M C -0.362 176.019 176.300 0.134 0.000 1.150 1284 M CA 0.297 55.606 55.300 0.015 0.000 1.147 1284 M CB 1.136 33.678 32.600 -0.098 0.000 1.498 1284 M HN 0.436 nan 8.290 nan 0.000 0.461 1285 M N 1.748 121.432 119.600 0.139 0.000 2.664 1285 M HA 0.435 4.915 4.480 -0.001 0.000 0.279 1285 M C -1.222 174.984 176.300 -0.155 0.000 1.275 1285 M CA -0.703 54.604 55.300 0.012 0.000 0.829 1285 M CB 2.627 35.090 32.600 -0.230 0.000 1.727 1285 M HN 0.519 nan 8.290 nan 0.000 0.459 1286 K N 1.211 121.395 120.400 -0.360 0.000 2.394 1286 K HA 0.525 4.845 4.320 -0.001 0.000 0.260 1286 K C -1.961 174.518 176.600 -0.201 0.000 0.967 1286 K CA -0.210 55.722 56.287 -0.592 0.000 0.855 1286 K CB 1.126 33.049 32.500 -0.963 0.000 1.101 1286 K HN 0.600 nan 8.250 nan 0.000 0.433 1287 Y N 1.679 121.902 120.300 -0.129 0.000 2.419 1287 Y HA 0.201 4.750 4.550 -0.001 0.000 0.328 1287 Y C 0.423 176.295 175.900 -0.048 0.000 1.162 1287 Y CA -1.418 56.657 58.100 -0.041 0.000 1.174 1287 Y CB 1.439 39.927 38.460 0.046 0.000 1.228 1287 Y HN 0.522 nan 8.280 nan 0.000 0.473 1288 D N 2.274 122.763 120.400 0.149 0.000 2.302 1288 D HA 0.192 4.831 4.640 -0.001 0.000 0.248 1288 D C -0.518 175.836 176.300 0.090 0.000 1.094 1288 D CA -0.044 54.001 54.000 0.075 0.000 0.897 1288 D CB 1.134 41.957 40.800 0.038 0.000 1.200 1288 D HN 0.381 nan 8.370 nan 0.000 0.429 1289 R N 2.175 122.721 120.500 0.077 0.000 2.476 1289 R HA 0.179 4.518 4.340 -0.001 0.000 0.305 1289 R C -0.689 175.659 176.300 0.079 0.000 0.965 1289 R CA -0.732 55.416 56.100 0.079 0.000 0.867 1289 R CB 1.040 31.394 30.300 0.091 0.000 1.176 1289 R HN 0.183 nan 8.270 nan 0.000 0.447 1290 K N 3.390 123.843 120.400 0.088 0.000 2.316 1290 K HA 0.292 4.612 4.320 -0.001 0.000 0.289 1290 K C -0.897 175.855 176.600 0.255 0.000 1.070 1290 K CA -0.280 56.099 56.287 0.154 0.000 0.928 1290 K CB 1.624 34.174 32.500 0.084 0.000 1.039 1290 K HN 0.275 nan 8.250 nan 0.000 0.480 1291 V N 5.704 125.770 119.914 0.253 0.000 2.888 1291 V HA 0.289 4.408 4.120 -0.001 0.000 0.309 1291 V C -2.355 173.693 176.094 -0.078 0.000 1.114 1291 V CA -2.118 60.265 62.300 0.137 0.000 0.940 1291 V CB 2.636 34.493 31.823 0.056 0.000 1.021 1291 V HN 0.620 nan 8.190 nan 0.000 0.426 1292 P HA 0.186 nan 4.420 nan 0.000 0.269 1292 P C -0.479 176.684 177.300 -0.228 0.000 1.209 1292 P CA 0.126 62.913 63.100 -0.523 0.000 0.776 1292 P CB 0.783 32.157 31.700 -0.544 0.000 0.876 1293 S N 2.342 117.931 115.700 -0.185 0.000 2.693 1293 S HA 0.433 4.902 4.470 -0.001 0.000 0.276 1293 S C -1.712 172.835 174.600 -0.089 0.000 1.192 1293 S CA -1.325 56.815 58.200 -0.099 0.000 0.994 1293 S CB 0.012 63.173 63.200 -0.066 0.000 1.012 1293 S HN 0.221 nan 8.310 nan 0.000 0.550 1294 P HA -0.061 nan 4.420 nan 0.000 0.218 1294 P C 1.374 178.646 177.300 -0.048 0.000 1.148 1294 P CA 1.487 64.558 63.100 -0.048 0.000 0.822 1294 P CB -0.400 31.281 31.700 -0.030 0.000 0.784 1295 T N -5.821 108.708 114.554 -0.043 0.000 3.113 1295 T HA 0.351 4.700 4.350 -0.001 0.000 0.256 1295 T C 1.544 176.216 174.700 -0.045 0.000 1.131 1295 T CA 0.712 62.793 62.100 -0.033 0.000 1.074 1295 T CB -0.265 68.593 68.868 -0.016 0.000 0.944 1295 T HN 0.255 nan 8.240 nan 0.000 0.516 1296 G N 1.352 110.101 108.800 -0.084 0.000 2.436 1296 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.204 1296 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.204 1296 G C -0.217 174.589 174.900 -0.157 0.000 1.026 1296 G CA -0.283 44.746 45.100 -0.118 0.000 0.658 1296 G HN 0.647 nan 8.290 nan 0.000 0.499 1297 E N 1.029 121.178 120.200 -0.084 0.000 2.398 1297 E HA 0.513 4.862 4.350 -0.001 0.000 0.263 1297 E C -0.200 176.325 176.600 -0.126 0.000 1.046 1297 E CA -0.430 55.948 56.400 -0.036 0.000 0.908 1297 E CB 0.266 29.984 29.700 0.029 0.000 0.963 1297 E HN 0.448 nan 8.360 nan 0.000 0.431 1298 Y N 0.579 120.887 120.300 0.014 0.000 2.480 1298 Y HA 0.344 4.893 4.550 -0.001 0.000 0.338 1298 Y C 0.359 176.265 175.900 0.009 0.000 1.220 1298 Y CA -0.011 58.096 58.100 0.011 0.000 1.430 1298 Y CB 0.633 39.102 38.460 0.015 0.000 1.311 1298 Y HN 0.189 nan 8.280 nan 0.000 0.575 1299 V N 2.942 122.935 119.914 0.133 0.000 3.087 1299 V HA 0.274 4.393 4.120 -0.001 0.000 0.306 1299 V C -0.968 175.174 176.094 0.080 0.000 1.187 1299 V CA -1.737 60.606 62.300 0.073 0.000 0.999 1299 V CB 2.525 34.361 31.823 0.022 0.000 1.049 1299 V HN 0.576 nan 8.190 nan 0.000 0.431 1300 K N 2.759 123.193 120.400 0.056 0.000 2.312 1300 K HA 0.436 4.755 4.320 -0.001 0.000 0.287 1300 K C -0.512 176.108 176.600 0.032 0.000 1.062 1300 K CA -0.083 56.232 56.287 0.047 0.000 0.934 1300 K CB 0.691 33.210 32.500 0.031 0.000 1.027 1300 K HN 0.554 nan 8.250 nan 0.000 0.478 1301 E N 4.989 125.211 120.200 0.037 0.000 2.145 1301 E HA 0.206 4.555 4.350 -0.001 0.000 0.262 1301 E C -2.407 174.204 176.600 0.018 0.000 0.883 1301 E CA -2.125 54.289 56.400 0.024 0.000 0.748 1301 E CB 1.577 31.296 29.700 0.031 0.000 1.140 1301 E HN 0.347 nan 8.360 nan 0.000 0.417 1302 P HA 0.094 nan 4.420 nan 0.000 0.282 1302 P C -1.052 176.199 177.300 -0.082 0.000 1.249 1302 P CA -0.284 62.782 63.100 -0.057 0.000 0.806 1302 P CB 1.026 32.656 31.700 -0.117 0.000 0.984 1303 E N 1.540 121.686 120.200 -0.089 0.000 2.340 1303 E HA 0.337 4.686 4.350 -0.001 0.000 0.273 1303 E C -1.460 175.036 176.600 -0.174 0.000 0.891 1303 E CA -0.967 55.402 56.400 -0.053 0.000 0.757 1303 E CB 0.997 30.763 29.700 0.110 0.000 1.231 1303 E HN 0.291 nan 8.360 nan 0.000 0.439 1304 W N 2.164 123.464 121.300 0.001 0.000 2.311 1304 W HA 0.421 5.080 4.660 -0.001 0.000 0.310 1304 W C -0.509 175.938 176.519 -0.121 0.000 1.274 1304 W CA -0.317 56.984 57.345 -0.073 0.000 1.215 1304 W CB 1.393 30.824 29.460 -0.048 0.000 1.227 1304 W HN 0.235 nan 8.180 nan 0.000 0.523 1305 V N 4.862 124.783 119.914 0.012 0.000 2.914 1305 V HA 0.481 4.600 4.120 -0.001 0.000 0.314 1305 V C -0.275 175.724 176.094 -0.158 0.000 1.084 1305 V CA -1.292 60.889 62.300 -0.198 0.000 0.963 1305 V CB 1.955 33.463 31.823 -0.525 0.000 1.025 1305 V HN 0.249 nan 8.190 nan 0.000 0.432 1306 L N 2.670 123.797 121.223 -0.161 0.000 2.307 1306 L HA 0.630 4.969 4.340 -0.001 0.000 0.284 1306 L C -0.281 176.536 176.870 -0.088 0.000 1.023 1306 L CA -0.330 54.450 54.840 -0.100 0.000 0.810 1306 L CB 1.544 43.559 42.059 -0.073 0.000 1.231 1306 L HN 0.617 nan 8.230 nan 0.000 0.423 1307 E N 1.532 121.707 120.200 -0.041 0.000 2.187 1307 E HA 0.498 4.848 4.350 -0.001 0.000 0.268 1307 E C -0.643 175.970 176.600 0.022 0.000 0.896 1307 E CA -0.566 55.837 56.400 0.006 0.000 0.766 1307 E CB 2.453 32.182 29.700 0.048 0.000 1.142 1307 E HN 0.636 nan 8.360 nan 0.000 0.408 1308 T N -0.540 114.029 114.554 0.025 0.000 2.930 1308 T HA 0.496 4.846 4.350 -0.001 0.000 0.290 1308 T C -0.809 173.908 174.700 0.028 0.000 1.052 1308 T CA -1.032 61.083 62.100 0.025 0.000 1.017 1308 T CB 1.383 70.259 68.868 0.014 0.000 1.137 1308 T HN 0.119 nan 8.240 nan 0.000 0.511 1309 D N 0.299 120.717 120.400 0.029 0.000 2.414 1309 D HA 0.657 5.296 4.640 -0.001 0.000 0.232 1309 D C 0.471 176.779 176.300 0.013 0.000 1.070 1309 D CA 0.603 54.617 54.000 0.023 0.000 0.839 1309 D CB 0.852 41.670 40.800 0.031 0.000 1.079 1309 D HN 1.160 nan 8.370 nan 0.000 0.521 1310 G N 0.129 108.928 108.800 -0.002 0.000 2.629 1310 G HA2 0.114 4.073 3.960 -0.001 0.000 0.686 1310 G HA3 0.114 4.073 3.960 -0.001 0.000 0.686 1310 G C -1.292 173.594 174.900 -0.024 0.000 1.232 1310 G CA -0.983 44.108 45.100 -0.014 0.000 0.803 1310 G HN 0.483 nan 8.290 nan 0.000 0.638 1311 V N 1.851 121.742 119.914 -0.039 0.000 2.638 1311 V HA 0.771 4.891 4.120 -0.001 0.000 0.306 1311 V C -0.358 175.706 176.094 -0.050 0.000 1.052 1311 V CA -0.967 61.305 62.300 -0.047 0.000 0.885 1311 V CB 2.134 33.919 31.823 -0.064 0.000 0.999 1311 V HN 0.943 nan 8.190 nan 0.000 0.424 1312 N N 3.577 122.250 118.700 -0.045 0.000 2.675 1312 N HA 0.205 4.944 4.740 -0.001 0.000 0.254 1312 N C 0.193 175.682 175.510 -0.035 0.000 1.224 1312 N CA -0.398 52.624 53.050 -0.046 0.000 0.777 1312 N CB 1.572 40.027 38.487 -0.053 0.000 1.256 1312 N HN 0.559 nan 8.380 nan 0.000 0.531 1313 L N 2.871 124.073 121.223 -0.035 0.000 1.988 1313 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 1313 L C 2.247 179.109 176.870 -0.013 0.000 1.071 1313 L CA 2.294 57.121 54.840 -0.022 0.000 0.744 1313 L CB -1.014 41.028 42.059 -0.027 0.000 0.893 1313 L HN 0.586 nan 8.230 nan 0.000 0.433 1314 S N -0.978 114.712 115.700 -0.016 0.000 2.380 1314 S HA -0.289 4.180 4.470 -0.001 0.000 0.229 1314 S C 1.798 176.391 174.600 -0.012 0.000 1.043 1314 S CA 1.798 59.991 58.200 -0.012 0.000 1.038 1314 S CB -0.873 62.317 63.200 -0.016 0.000 0.872 1314 S HN 0.667 nan 8.310 nan 0.000 0.456 1315 E N 0.528 120.717 120.200 -0.019 0.000 2.122 1315 E HA 0.056 4.406 4.350 -0.001 0.000 0.190 1315 E C 2.178 178.770 176.600 -0.012 0.000 0.977 1315 E CA 0.803 57.192 56.400 -0.019 0.000 0.820 1315 E CB -0.190 29.493 29.700 -0.029 0.000 0.770 1315 E HN 0.380 nan 8.360 nan 0.000 0.462 1316 V N 1.586 121.494 119.914 -0.011 0.000 2.427 1316 V HA -0.250 3.870 4.120 -0.001 0.000 0.248 1316 V C 2.334 178.432 176.094 0.007 0.000 1.051 1316 V CA 1.542 63.840 62.300 -0.003 0.000 1.048 1316 V CB -0.341 31.481 31.823 -0.001 0.000 0.666 1316 V HN 0.350 nan 8.190 nan 0.000 0.456 1317 M N -0.532 119.074 119.600 0.010 0.000 2.426 1317 M HA -0.203 4.276 4.480 -0.001 0.000 0.261 1317 M C 1.787 178.097 176.300 0.015 0.000 1.068 1317 M CA 1.800 57.113 55.300 0.021 0.000 1.066 1317 M CB -0.149 32.463 32.600 0.020 0.000 1.399 1317 M HN 0.357 nan 8.290 nan 0.000 0.449 1318 T N -0.361 114.197 114.554 0.006 0.000 3.023 1318 T HA 0.205 4.554 4.350 -0.001 0.000 0.253 1318 T C 0.100 174.800 174.700 -0.001 0.000 1.038 1318 T CA -0.174 61.928 62.100 0.002 0.000 0.962 1318 T CB 0.100 68.968 68.868 -0.002 0.000 1.018 1318 T HN 0.057 nan 8.240 nan 0.000 0.521 1319 V N 4.599 124.513 119.914 -0.001 0.000 2.655 1319 V HA 0.236 4.355 4.120 -0.001 0.000 0.300 1319 V C -1.992 174.097 176.094 -0.007 0.000 1.044 1319 V CA -1.550 60.747 62.300 -0.005 0.000 1.095 1319 V CB 0.748 32.568 31.823 -0.004 0.000 0.952 1319 V HN 0.289 nan 8.190 nan 0.000 0.485 1320 P HA 0.341 nan 4.420 nan 0.000 0.272 1320 P C 0.859 178.142 177.300 -0.029 0.000 1.223 1320 P CA 0.800 63.888 63.100 -0.021 0.000 0.784 1320 P CB 0.828 32.516 31.700 -0.019 0.000 0.923 1321 G N 0.967 109.737 108.800 -0.050 0.000 2.213 1321 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.236 1321 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.236 1321 G C 0.212 175.081 174.900 -0.051 0.000 0.991 1321 G CA 0.246 45.300 45.100 -0.075 0.000 0.629 1321 G HN 0.716 nan 8.290 nan 0.000 0.517 1322 I N -1.532 119.028 120.570 -0.017 0.000 2.934 1322 I HA 0.767 4.936 4.170 -0.001 0.000 0.315 1322 I C -0.399 175.734 176.117 0.026 0.000 0.997 1322 I CA -0.943 60.370 61.300 0.021 0.000 1.184 1322 I CB 1.345 39.366 38.000 0.035 0.000 1.400 1322 I HN -0.060 nan 8.210 nan 0.000 0.549 1323 D N 3.872 124.314 120.400 0.071 0.000 2.443 1323 D HA 0.327 4.966 4.640 -0.001 0.000 0.221 1323 D C -1.828 174.521 176.300 0.081 0.000 1.097 1323 D CA -2.492 51.547 54.000 0.066 0.000 0.865 1323 D CB 1.352 42.202 40.800 0.082 0.000 1.034 1323 D HN 0.355 nan 8.370 nan 0.000 0.511 1324 P HA -0.044 nan 4.420 nan 0.000 0.242 1324 P C 1.028 178.364 177.300 0.059 0.000 1.197 1324 P CA 0.575 63.710 63.100 0.059 0.000 0.765 1324 P CB -0.033 31.688 31.700 0.035 0.000 0.936 1325 T N -3.850 110.731 114.554 0.046 0.000 3.081 1325 T HA 0.152 4.501 4.350 -0.001 0.000 0.255 1325 T C 1.704 176.423 174.700 0.032 0.000 1.113 1325 T CA 0.292 62.409 62.100 0.028 0.000 1.082 1325 T CB -0.233 68.637 68.868 0.003 0.000 0.939 1325 T HN 0.098 nan 8.240 nan 0.000 0.506 1326 R N -0.402 120.134 120.500 0.061 0.000 2.419 1326 R HA 0.470 4.809 4.340 -0.001 0.000 0.235 1326 R C 0.595 177.046 176.300 0.253 0.000 0.899 1326 R CA -0.372 55.753 56.100 0.041 0.000 1.048 1326 R CB 0.316 30.539 30.300 -0.127 0.000 1.182 1326 R HN 0.386 nan 8.270 nan 0.000 0.544 1327 I N 1.615 122.345 120.570 0.266 0.000 2.919 1327 I HA -0.186 3.983 4.170 -0.001 0.000 0.303 1327 I C -0.724 175.606 176.117 0.354 0.000 1.221 1327 I CA 0.723 62.201 61.300 0.297 0.000 1.444 1327 I CB 0.251 38.350 38.000 0.164 0.000 1.331 1327 I HN -0.009 nan 8.210 nan 0.000 0.572 1328 Y N 6.096 126.516 120.300 0.200 0.000 2.581 1328 Y HA 0.568 5.117 4.550 -0.001 0.000 0.345 1328 Y C -0.561 175.410 175.900 0.118 0.000 1.036 1328 Y CA -0.597 57.603 58.100 0.166 0.000 1.042 1328 Y CB 1.934 40.527 38.460 0.221 0.000 1.289 1328 Y HN 0.600 nan 8.280 nan 0.000 0.471 1329 T N 2.325 116.357 114.554 -0.870 0.000 2.894 1329 T HA 0.223 4.573 4.350 -0.001 0.000 0.309 1329 T C -0.251 173.913 174.700 -0.892 0.000 1.208 1329 T CA -0.568 61.153 62.100 -0.632 0.000 1.016 1329 T CB 0.670 69.373 68.868 -0.275 0.000 1.192 1329 T HN 0.780 nan 8.240 nan 0.000 0.491 1330 N N 1.421 119.904 118.700 -0.362 0.000 2.521 1330 N HA 0.046 4.785 4.740 -0.001 0.000 0.188 1330 N C 0.471 175.946 175.510 -0.058 0.000 1.146 1330 N CA 0.042 53.016 53.050 -0.125 0.000 0.893 1330 N CB 0.174 38.683 38.487 0.037 0.000 0.975 1330 N HN 0.278 nan 8.380 nan 0.000 0.451 1331 S N 0.729 116.335 115.700 -0.158 0.000 3.170 1331 S HA 0.176 4.646 4.470 -0.001 0.000 0.257 1331 S C 0.694 175.164 174.600 -0.217 0.000 1.284 1331 S CA -1.022 57.051 58.200 -0.212 0.000 0.973 1331 S CB -1.240 61.837 63.200 -0.206 0.000 1.330 1331 S HN 0.310 nan 8.310 nan 0.000 0.493 1332 F N 2.541 122.459 119.950 -0.054 0.000 2.225 1332 F HA -0.122 4.404 4.527 -0.001 0.000 0.302 1332 F C 1.402 177.197 175.800 -0.007 0.000 1.068 1332 F CA 0.936 58.927 58.000 -0.015 0.000 1.327 1332 F CB -0.829 38.190 39.000 0.032 0.000 1.043 1332 F HN 0.464 nan 8.300 nan 0.000 0.506 1333 I N 1.285 121.565 120.570 -0.482 0.000 2.142 1333 I HA -0.299 3.871 4.170 -0.001 0.000 0.240 1333 I C 2.025 178.070 176.117 -0.120 0.000 1.078 1333 I CA 2.037 63.182 61.300 -0.258 0.000 1.343 1333 I CB -0.651 37.149 38.000 -0.333 0.000 1.046 1333 I HN 0.094 nan 8.210 nan 0.000 0.405 1334 D N 0.957 121.274 120.400 -0.138 0.000 2.123 1334 D HA -0.179 4.460 4.640 -0.001 0.000 0.196 1334 D C 2.161 178.438 176.300 -0.038 0.000 0.992 1334 D CA 1.279 55.230 54.000 -0.081 0.000 0.833 1334 D CB -0.159 40.586 40.800 -0.091 0.000 0.954 1334 D HN 0.306 nan 8.370 nan 0.000 0.455 1335 I N 0.391 120.947 120.570 -0.022 0.000 2.127 1335 I HA -0.280 3.889 4.170 -0.001 0.000 0.241 1335 I C 2.445 178.593 176.117 0.051 0.000 1.075 1335 I CA 0.957 62.275 61.300 0.029 0.000 1.334 1335 I CB -0.254 37.787 38.000 0.069 0.000 1.040 1335 I HN 0.103 nan 8.210 nan 0.000 0.405 1336 M N 0.417 120.059 119.600 0.070 0.000 2.195 1336 M HA -0.277 4.203 4.480 -0.001 0.000 0.260 1336 M C 1.931 178.252 176.300 0.035 0.000 1.066 1336 M CA 1.986 57.326 55.300 0.067 0.000 1.089 1336 M CB -0.230 32.424 32.600 0.089 0.000 1.377 1336 M HN 0.244 nan 8.290 nan 0.000 0.411 1337 E N -1.100 119.108 120.200 0.014 0.000 2.216 1337 E HA -0.088 4.261 4.350 -0.001 0.000 0.192 1337 E C 1.841 178.443 176.600 0.004 0.000 0.988 1337 E CA 0.868 57.270 56.400 0.003 0.000 0.834 1337 E CB 0.349 30.041 29.700 -0.013 0.000 0.772 1337 E HN 0.401 nan 8.360 nan 0.000 0.479 1338 V N 0.307 120.225 119.914 0.007 0.000 2.672 1338 V HA -0.037 4.082 4.120 -0.001 0.000 0.242 1338 V C 1.818 177.922 176.094 0.018 0.000 1.059 1338 V CA 0.817 63.122 62.300 0.008 0.000 1.081 1338 V CB 0.046 31.872 31.823 0.005 0.000 0.752 1338 V HN 0.200 nan 8.190 nan 0.000 0.472 1339 L N -0.216 121.024 121.223 0.029 0.000 2.408 1339 L HA 0.587 4.927 4.340 -0.001 0.000 0.215 1339 L C 1.104 177.995 176.870 0.035 0.000 1.081 1339 L CA 0.826 55.687 54.840 0.035 0.000 0.840 1339 L CB -0.146 41.942 42.059 0.050 0.000 1.002 1339 L HN 0.510 nan 8.230 nan 0.000 0.468 1340 G N 0.445 109.268 108.800 0.039 0.000 2.541 1340 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.686 1340 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.686 1340 G C 0.038 174.969 174.900 0.052 0.000 1.286 1340 G CA -0.328 44.795 45.100 0.038 0.000 0.894 1340 G HN 0.019 nan 8.290 nan 0.000 0.575 1341 I N -1.127 119.473 120.570 0.050 0.000 2.315 1341 I HA 0.119 4.288 4.170 -0.001 0.000 0.248 1341 I C 2.261 178.416 176.117 0.064 0.000 1.117 1341 I CA 2.093 63.430 61.300 0.063 0.000 1.404 1341 I CB -0.586 37.449 38.000 0.057 0.000 1.071 1341 I HN 0.585 nan 8.210 nan 0.000 0.419 1342 E N 1.504 121.734 120.200 0.050 0.000 2.038 1342 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 1342 E C 2.337 178.970 176.600 0.055 0.000 1.000 1342 E CA 1.802 58.229 56.400 0.044 0.000 0.803 1342 E CB -0.527 29.190 29.700 0.028 0.000 0.750 1342 E HN 0.492 nan 8.360 nan 0.000 0.448 1343 A N 0.188 123.044 122.820 0.059 0.000 1.883 1343 A HA -0.143 4.176 4.320 -0.001 0.000 0.217 1343 A C 2.505 180.159 177.584 0.117 0.000 1.186 1343 A CA 2.145 54.233 52.037 0.084 0.000 0.624 1343 A CB -1.535 17.513 19.000 0.080 0.000 0.822 1343 A HN 0.419 nan 8.150 nan 0.000 0.444 1344 G N -0.636 108.232 108.800 0.114 0.000 2.513 1344 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.219 1344 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.219 1344 G C 1.763 176.749 174.900 0.143 0.000 1.160 1344 G CA 1.304 46.495 45.100 0.152 0.000 0.767 1344 G HN 0.575 nan 8.290 nan 0.000 0.571 1345 R N 0.543 121.105 120.500 0.103 0.000 2.080 1345 R HA -0.041 4.299 4.340 -0.001 0.000 0.236 1345 R C 2.970 179.335 176.300 0.108 0.000 1.137 1345 R CA 1.650 57.799 56.100 0.082 0.000 0.943 1345 R CB -0.520 29.819 30.300 0.064 0.000 0.846 1345 R HN 0.311 nan 8.270 nan 0.000 0.431 1346 A N 0.598 123.486 122.820 0.112 0.000 1.902 1346 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 1346 A C 2.332 180.041 177.584 0.208 0.000 1.181 1346 A CA 1.806 53.924 52.037 0.135 0.000 0.623 1346 A CB -0.692 18.358 19.000 0.083 0.000 0.818 1346 A HN 0.568 nan 8.150 nan 0.000 0.443 1347 A N -0.539 122.417 122.820 0.226 0.000 1.873 1347 A HA -0.019 4.300 4.320 -0.001 0.000 0.215 1347 A C 2.095 179.806 177.584 0.212 0.000 1.186 1347 A CA 1.669 53.898 52.037 0.319 0.000 0.616 1347 A CB -0.656 18.555 19.000 0.352 0.000 0.823 1347 A HN 0.685 nan 8.150 nan 0.000 0.442 1348 L N -1.391 119.874 121.223 0.070 0.000 2.081 1348 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 1348 L C 2.250 179.081 176.870 -0.065 0.000 1.080 1348 L CA 2.390 57.100 54.840 -0.216 0.000 0.754 1348 L CB -0.949 40.927 42.059 -0.305 0.000 0.893 1348 L HN 0.558 nan 8.230 nan 0.000 0.433 1349 Y N 0.215 120.501 120.300 -0.023 0.000 2.163 1349 Y HA -0.229 4.321 4.550 -0.001 0.000 0.288 1349 Y C 2.451 178.405 175.900 0.090 0.000 1.136 1349 Y CA 1.971 60.084 58.100 0.023 0.000 1.147 1349 Y CB -0.138 38.349 38.460 0.045 0.000 0.987 1349 Y HN 0.120 nan 8.280 nan 0.000 0.509 1350 K N -0.099 120.393 120.400 0.153 0.000 2.152 1350 K HA -0.188 4.132 4.320 -0.001 0.000 0.206 1350 K C 1.836 178.495 176.600 0.097 0.000 1.048 1350 K CA 1.523 57.871 56.287 0.102 0.000 0.933 1350 K CB -0.067 32.521 32.500 0.147 0.000 0.721 1350 K HN 0.401 nan 8.250 nan 0.000 0.447 1351 E N 0.364 120.614 120.200 0.083 0.000 2.051 1351 E HA -0.092 4.257 4.350 -0.001 0.000 0.189 1351 E C 2.237 178.826 176.600 -0.018 0.000 0.979 1351 E CA 0.711 57.154 56.400 0.072 0.000 0.803 1351 E CB -0.298 29.449 29.700 0.079 0.000 0.761 1351 E HN 0.021 nan 8.360 nan 0.000 0.451 1352 V N 1.102 120.950 119.914 -0.109 0.000 2.307 1352 V HA -0.267 3.853 4.120 -0.001 0.000 0.245 1352 V C 2.235 178.241 176.094 -0.146 0.000 1.045 1352 V CA 1.797 64.015 62.300 -0.135 0.000 1.024 1352 V CB -0.730 30.994 31.823 -0.166 0.000 0.651 1352 V HN 0.207 nan 8.190 nan 0.000 0.449 1353 Y N 2.040 122.103 120.300 -0.394 0.000 2.030 1353 Y HA -0.369 4.181 4.550 -0.001 0.000 0.272 1353 Y C 2.592 178.412 175.900 -0.133 0.000 1.185 1353 Y CA 2.490 60.391 58.100 -0.332 0.000 1.120 1353 Y CB -0.424 37.743 38.460 -0.488 0.000 0.955 1353 Y HN 0.314 nan 8.280 nan 0.000 0.495 1354 N N -0.200 118.541 118.700 0.069 0.000 2.069 1354 N HA -0.199 4.540 4.740 -0.001 0.000 0.191 1354 N C 2.046 177.519 175.510 -0.063 0.000 1.031 1354 N CA 1.638 54.703 53.050 0.025 0.000 0.852 1354 N CB -0.947 37.605 38.487 0.109 0.000 1.018 1354 N HN 0.322 nan 8.380 nan 0.000 0.423 1355 V N 1.752 121.635 119.914 -0.052 0.000 2.252 1355 V HA -0.248 3.871 4.120 -0.001 0.000 0.249 1355 V C 2.256 178.292 176.094 -0.095 0.000 1.056 1355 V CA 1.483 63.750 62.300 -0.055 0.000 1.022 1355 V CB -0.428 31.370 31.823 -0.042 0.000 0.641 1355 V HN 0.222 nan 8.190 nan 0.000 0.445 1356 I N 0.001 120.477 120.570 -0.157 0.000 2.113 1356 I HA -0.246 3.923 4.170 -0.001 0.000 0.238 1356 I C 2.640 178.637 176.117 -0.200 0.000 1.070 1356 I CA 1.643 62.835 61.300 -0.180 0.000 1.332 1356 I CB -0.681 37.187 38.000 -0.219 0.000 1.044 1356 I HN 0.288 nan 8.210 nan 0.000 0.402 1357 A N 0.688 123.307 122.820 -0.336 0.000 1.986 1357 A HA -0.286 4.034 4.320 -0.001 0.000 0.220 1357 A C 2.467 179.988 177.584 -0.104 0.000 1.171 1357 A CA 2.340 54.221 52.037 -0.260 0.000 0.640 1357 A CB -1.031 17.741 19.000 -0.379 0.000 0.811 1357 A HN 0.588 nan 8.150 nan 0.000 0.451 1358 S N -0.339 115.318 115.700 -0.073 0.000 2.402 1358 S HA -0.206 4.263 4.470 -0.001 0.000 0.233 1358 S C 1.100 175.702 174.600 0.003 0.000 1.030 1358 S CA 1.593 59.788 58.200 -0.008 0.000 1.003 1358 S CB -0.376 62.834 63.200 0.017 0.000 0.813 1358 S HN 0.508 nan 8.310 nan 0.000 0.477 1359 D N 0.673 121.064 120.400 -0.015 0.000 3.058 1359 D HA 0.409 5.049 4.640 -0.001 0.000 0.272 1359 D C 1.258 177.550 176.300 -0.013 0.000 1.350 1359 D CA 0.251 54.246 54.000 -0.007 0.000 0.863 1359 D CB -0.316 40.479 40.800 -0.008 0.000 1.064 1359 D HN 0.433 nan 8.370 nan 0.000 0.488 1360 G N 0.480 109.273 108.800 -0.012 0.000 2.322 1360 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.264 1360 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.264 1360 G C 0.625 175.529 174.900 0.007 0.000 0.992 1360 G CA 0.864 45.963 45.100 -0.002 0.000 0.624 1360 G HN 0.619 nan 8.290 nan 0.000 0.543 1361 S N -0.348 115.347 115.700 -0.007 0.000 2.592 1361 S HA 0.600 5.069 4.470 -0.001 0.000 0.271 1361 S C -0.490 174.132 174.600 0.037 0.000 1.326 1361 S CA -0.112 58.095 58.200 0.012 0.000 1.024 1361 S CB 2.023 65.208 63.200 -0.024 0.000 0.921 1361 S HN 1.244 nan 8.310 nan 0.000 0.527 1362 Y N 0.480 120.756 120.300 -0.041 0.000 2.442 1362 Y HA 0.652 5.202 4.550 -0.001 0.000 0.344 1362 Y C -1.591 174.332 175.900 0.037 0.000 0.976 1362 Y CA -1.062 57.031 58.100 -0.012 0.000 1.040 1362 Y CB 1.365 39.839 38.460 0.023 0.000 1.228 1362 Y HN 0.588 nan 8.280 nan 0.000 0.451 1363 V N 5.784 125.183 119.914 -0.858 0.000 2.686 1363 V HA 0.251 4.371 4.120 -0.001 0.000 0.306 1363 V C -0.549 175.144 176.094 -0.668 0.000 1.065 1363 V CA -1.291 60.666 62.300 -0.572 0.000 0.894 1363 V CB 1.872 33.570 31.823 -0.209 0.000 1.004 1363 V HN 0.883 nan 8.190 nan 0.000 0.424 1364 N N 2.116 120.612 118.700 -0.340 0.000 2.412 1364 N HA -0.051 4.689 4.740 -0.001 0.000 0.254 1364 N C 0.951 176.505 175.510 0.074 0.000 1.232 1364 N CA 0.311 53.327 53.050 -0.057 0.000 0.880 1364 N CB 0.289 38.828 38.487 0.086 0.000 1.076 1364 N HN 0.698 nan 8.380 nan 0.000 0.458 1365 Y N 4.392 124.758 120.300 0.110 0.000 2.029 1365 Y HA -0.418 4.131 4.550 -0.001 0.000 0.269 1365 Y C 2.253 178.159 175.900 0.009 0.000 1.201 1365 Y CA 2.644 60.835 58.100 0.152 0.000 1.115 1365 Y CB -0.239 38.294 38.460 0.122 0.000 0.945 1365 Y HN 0.726 nan 8.280 nan 0.000 0.497 1366 R N -0.925 119.419 120.500 -0.260 0.000 2.170 1366 R HA -0.233 4.106 4.340 -0.001 0.000 0.242 1366 R C 1.736 177.808 176.300 -0.380 0.000 1.145 1366 R CA 1.939 57.757 56.100 -0.470 0.000 0.984 1366 R CB -1.286 28.664 30.300 -0.583 0.000 0.869 1366 R HN 0.509 nan 8.270 nan 0.000 0.455 1367 H N 0.812 119.843 119.070 -0.065 0.000 2.395 1367 H HA 0.068 4.624 4.556 -0.001 0.000 0.299 1367 H C 2.135 177.434 175.328 -0.049 0.000 1.070 1367 H CA 1.685 57.720 56.048 -0.022 0.000 1.356 1367 H CB -0.124 29.630 29.762 -0.012 0.000 1.401 1367 H HN 0.297 nan 8.280 nan 0.000 0.524 1368 M N -0.138 119.484 119.600 0.038 0.000 2.334 1368 M HA 0.084 4.563 4.480 -0.001 0.000 0.266 1368 M C 2.722 179.025 176.300 0.005 0.000 1.082 1368 M CA 0.797 56.122 55.300 0.042 0.000 1.141 1368 M CB -0.032 32.621 32.600 0.088 0.000 1.380 1368 M HN 0.161 nan 8.290 nan 0.000 0.440 1369 A N 0.957 123.626 122.820 -0.251 0.000 1.917 1369 A HA -0.197 4.122 4.320 -0.001 0.000 0.219 1369 A C 2.119 179.613 177.584 -0.150 0.000 1.182 1369 A CA 1.598 53.396 52.037 -0.398 0.000 0.633 1369 A CB -0.826 17.620 19.000 -0.923 0.000 0.819 1369 A HN 0.411 nan 8.150 nan 0.000 0.448 1370 L N -0.817 120.350 121.223 -0.093 0.000 2.027 1370 L HA -0.099 4.240 4.340 -0.001 0.000 0.206 1370 L C 2.293 179.166 176.870 0.004 0.000 1.074 1370 L CA 2.085 56.924 54.840 -0.001 0.000 0.745 1370 L CB -0.823 41.281 42.059 0.076 0.000 0.898 1370 L HN 0.410 nan 8.230 nan 0.000 0.433 1371 L N -1.145 120.081 121.223 0.004 0.000 1.989 1371 L HA -0.178 4.162 4.340 -0.001 0.000 0.211 1371 L C 2.406 179.271 176.870 -0.009 0.000 1.071 1371 L CA 1.924 56.761 54.840 -0.004 0.000 0.749 1371 L CB -0.931 41.121 42.059 -0.012 0.000 0.890 1371 L HN 0.079 nan 8.230 nan 0.000 0.431 1372 V N 0.046 119.959 119.914 -0.002 0.000 2.490 1372 V HA -0.263 3.856 4.120 -0.001 0.000 0.250 1372 V C 2.255 178.354 176.094 0.008 0.000 1.061 1372 V CA 1.935 64.236 62.300 0.003 0.000 1.064 1372 V CB -0.754 31.101 31.823 0.054 0.000 0.670 1372 V HN 0.524 nan 8.190 nan 0.000 0.461 1373 D N -0.366 120.037 120.400 0.006 0.000 2.123 1373 D HA -0.102 4.537 4.640 -0.001 0.000 0.200 1373 D C 2.209 178.517 176.300 0.014 0.000 0.976 1373 D CA 1.123 55.132 54.000 0.015 0.000 0.831 1373 D CB -0.106 40.703 40.800 0.016 0.000 0.974 1373 D HN 0.300 nan 8.370 nan 0.000 0.469 1374 V N 1.323 121.241 119.914 0.007 0.000 2.332 1374 V HA -0.239 3.880 4.120 -0.001 0.000 0.248 1374 V C 2.384 178.483 176.094 0.008 0.000 1.055 1374 V CA 1.382 63.684 62.300 0.004 0.000 1.038 1374 V CB -0.367 31.455 31.823 -0.002 0.000 0.651 1374 V HN 0.238 nan 8.190 nan 0.000 0.450 1375 M N -1.323 118.281 119.600 0.007 0.000 2.686 1375 M HA -0.061 4.418 4.480 -0.001 0.000 0.246 1375 M C 1.594 177.913 176.300 0.032 0.000 1.096 1375 M CA 1.139 56.449 55.300 0.016 0.000 1.076 1375 M CB -0.110 32.491 32.600 0.001 0.000 1.504 1375 M HN 0.268 nan 8.290 nan 0.000 0.524 1376 T N -1.915 112.658 114.554 0.031 0.000 2.986 1376 T HA 0.030 4.380 4.350 -0.001 0.000 0.264 1376 T C 1.576 176.301 174.700 0.042 0.000 0.964 1376 T CA 0.305 62.431 62.100 0.043 0.000 0.895 1376 T CB 0.364 69.258 68.868 0.043 0.000 1.163 1376 T HN 0.194 nan 8.240 nan 0.000 0.517 1377 T N 1.625 116.199 114.554 0.033 0.000 2.915 1377 T HA -0.004 4.345 4.350 -0.001 0.000 0.269 1377 T C 1.521 176.240 174.700 0.031 0.000 1.071 1377 T CA 1.179 63.298 62.100 0.032 0.000 1.132 1377 T CB -0.065 68.813 68.868 0.017 0.000 0.878 1377 T HN 0.372 nan 8.240 nan 0.000 0.479 1378 Q N -0.544 119.274 119.800 0.029 0.000 2.280 1378 Q HA 0.311 4.650 4.340 -0.001 0.000 0.202 1378 Q C 1.500 177.519 176.000 0.033 0.000 0.903 1378 Q CA 0.321 56.141 55.803 0.028 0.000 0.948 1378 Q CB 0.417 29.170 28.738 0.025 0.000 1.058 1378 Q HN 0.584 nan 8.270 nan 0.000 0.493 1379 G N -0.633 108.190 108.800 0.039 0.000 2.234 1379 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.235 1379 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.235 1379 G C 0.318 175.244 174.900 0.043 0.000 0.997 1379 G CA -0.355 44.768 45.100 0.040 0.000 0.623 1379 G HN 0.560 nan 8.290 nan 0.000 0.514 1380 G N -0.898 107.929 108.800 0.046 0.000 3.013 1380 G HA2 0.671 4.631 3.960 -0.001 0.000 0.278 1380 G HA3 0.671 4.631 3.960 -0.001 0.000 0.278 1380 G C -0.495 174.446 174.900 0.069 0.000 1.353 1380 G CA -1.050 44.083 45.100 0.054 0.000 1.043 1380 G HN 0.677 nan 8.290 nan 0.000 0.523 1381 L N 1.609 122.885 121.223 0.089 0.000 2.334 1381 L HA 0.266 4.605 4.340 -0.001 0.000 0.286 1381 L C 0.287 177.215 176.870 0.097 0.000 1.108 1381 L CA -0.260 54.652 54.840 0.120 0.000 0.875 1381 L CB 0.532 42.713 42.059 0.203 0.000 1.246 1381 L HN 0.278 nan 8.230 nan 0.000 0.439 1382 T N 1.583 116.180 114.554 0.073 0.000 2.779 1382 T HA 0.054 4.403 4.350 -0.001 0.000 0.296 1382 T C 0.542 175.281 174.700 0.066 0.000 0.938 1382 T CA -0.067 62.069 62.100 0.060 0.000 1.119 1382 T CB 1.067 69.959 68.868 0.041 0.000 0.891 1382 T HN 0.544 nan 8.240 nan 0.000 0.526 1383 S N 2.319 118.063 115.700 0.072 0.000 2.568 1383 S HA 0.129 4.599 4.470 -0.001 0.000 0.282 1383 S C 1.322 175.953 174.600 0.051 0.000 1.338 1383 S CA -0.724 57.522 58.200 0.075 0.000 1.045 1383 S CB 0.280 63.530 63.200 0.084 0.000 0.873 1383 S HN 0.471 nan 8.310 nan 0.000 0.516 1384 V N 3.871 123.808 119.914 0.039 0.000 2.484 1384 V HA 0.024 4.144 4.120 -0.001 0.000 0.236 1384 V C 2.619 178.710 176.094 -0.006 0.000 1.062 1384 V CA 1.249 63.552 62.300 0.005 0.000 1.081 1384 V CB -1.657 30.159 31.823 -0.012 0.000 0.751 1384 V HN 0.942 nan 8.190 nan 0.000 0.484 1385 T N 0.800 115.358 114.554 0.008 0.000 2.635 1385 T HA -0.193 4.156 4.350 -0.001 0.000 0.267 1385 T C 1.077 175.840 174.700 0.106 0.000 1.040 1385 T CA 1.258 63.361 62.100 0.005 0.000 1.156 1385 T CB -0.343 68.551 68.868 0.043 0.000 0.863 1385 T HN 0.374 nan 8.240 nan 0.000 0.430 1386 R N 1.210 121.824 120.500 0.190 0.000 2.583 1386 R HA 0.101 4.440 4.340 -0.001 0.000 0.274 1386 R C -0.364 176.014 176.300 0.130 0.000 0.998 1386 R CA 0.470 56.732 56.100 0.271 0.000 1.081 1386 R CB -0.031 30.373 30.300 0.174 0.000 0.940 1386 R HN 0.531 nan 8.270 nan 0.000 0.413 1387 H N -0.049 119.032 119.070 0.017 0.000 6.304 1387 H HA -0.036 4.520 4.556 -0.001 0.000 0.887 1387 H C -0.016 175.326 175.328 0.023 0.000 1.976 1387 H CA 0.582 56.647 56.048 0.029 0.000 1.401 1387 H CB -0.843 28.948 29.762 0.048 0.000 4.682 1387 H HN 1.078 nan 8.280 nan 0.000 0.696 1399 R N 3.011 123.467 120.500 -0.073 0.000 4.231 1399 R HA 0.163 4.502 4.340 -0.001 0.000 0.030 1399 R C -0.833 175.442 176.300 -0.042 0.000 0.817 1399 R CA 1.391 57.465 56.100 -0.043 0.000 2.650 1399 R CB -0.512 29.831 30.300 0.072 0.000 0.993 1399 R HN 1.678 nan 8.270 nan 0.000 0.499 1400 C N 1.203 120.499 119.300 -0.007 0.000 3.848 1400 C HA 0.138 4.598 4.460 -0.001 0.000 0.353 1400 C C -1.136 173.863 174.990 0.016 0.000 0.930 1400 C CA -0.019 59.008 59.018 0.015 0.000 3.632 1400 C CB -2.001 25.755 27.740 0.026 0.000 1.125 1400 C HN 0.540 nan 8.230 nan 0.000 0.626 1401 S N 1.059 116.786 115.700 0.045 0.000 2.286 1401 S HA 0.471 4.941 4.470 -0.001 0.000 0.228 1401 S C -0.675 174.018 174.600 0.156 0.000 0.668 1401 S CA 0.423 58.658 58.200 0.058 0.000 0.856 1401 S CB 0.049 63.271 63.200 0.037 0.000 1.333 1401 S HN 1.670 nan 8.310 nan 0.000 0.406 1402 F N 2.508 122.431 119.950 -0.045 0.000 2.675 1402 F HA 0.495 5.021 4.527 -0.001 0.000 0.315 1402 F C 1.534 177.309 175.800 -0.042 0.000 0.888 1402 F CA 0.283 58.259 58.000 -0.039 0.000 1.100 1402 F CB 0.352 39.332 39.000 -0.034 0.000 0.908 1402 F HN 0.466 nan 8.300 nan 0.000 0.657 1403 E N 0.827 120.925 120.200 -0.170 0.000 2.140 1403 E HA -0.013 4.337 4.350 -0.001 0.000 0.191 1403 E C 0.569 177.041 176.600 -0.214 0.000 0.973 1403 E CA 0.665 56.900 56.400 -0.275 0.000 0.829 1403 E CB -0.002 29.596 29.700 -0.169 0.000 0.781 1403 E HN 0.187 nan 8.360 nan 0.000 0.466 1404 E N 0.636 120.742 120.200 -0.156 0.000 2.427 1404 E HA 0.097 4.446 4.350 -0.001 0.000 0.259 1404 E C -1.127 175.383 176.600 -0.150 0.000 1.267 1404 E CA -0.329 55.999 56.400 -0.120 0.000 1.425 1404 E CB -1.102 28.547 29.700 -0.085 0.000 1.482 1404 E HN -0.057 nan 8.360 nan 0.000 0.460 1405 T N 1.441 115.905 114.554 -0.149 0.000 2.378 1405 T HA -0.147 4.203 4.350 -0.001 0.000 0.349 1405 T C 1.534 176.092 174.700 -0.237 0.000 1.096 1405 T CA 0.577 62.579 62.100 -0.163 0.000 3.695 1405 T CB -0.428 68.366 68.868 -0.124 0.000 0.700 1405 T HN 0.221 nan 8.240 nan 0.000 0.241 1406 V N 2.309 122.042 119.914 -0.303 0.000 2.439 1406 V HA -0.248 3.871 4.120 -0.001 0.000 0.253 1406 V C 2.532 178.200 176.094 -0.710 0.000 1.074 1406 V CA 2.204 64.188 62.300 -0.526 0.000 1.076 1406 V CB -0.518 30.959 31.823 -0.576 0.000 0.664 1406 V HN 0.895 nan 8.190 nan 0.000 0.461 1407 E N -0.296 119.657 120.200 -0.412 0.000 2.209 1407 E HA -0.209 4.140 4.350 -0.001 0.000 0.196 1407 E C 2.066 178.558 176.600 -0.180 0.000 0.993 1407 E CA 1.153 57.422 56.400 -0.219 0.000 0.819 1407 E CB 0.012 29.654 29.700 -0.097 0.000 0.745 1407 E HN 0.544 nan 8.360 nan 0.000 0.477 1408 I N 0.380 120.820 120.570 -0.217 0.000 2.617 1408 I HA -0.182 3.987 4.170 -0.001 0.000 0.256 1408 I C 2.231 178.196 176.117 -0.252 0.000 1.167 1408 I CA 0.674 61.859 61.300 -0.192 0.000 1.469 1408 I CB -0.550 37.346 38.000 -0.173 0.000 1.098 1408 I HN 0.173 nan 8.210 nan 0.000 0.436 1409 L N -0.473 120.554 121.223 -0.326 0.000 2.179 1409 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 1409 L C 2.540 179.322 176.870 -0.146 0.000 1.096 1409 L CA 1.014 55.639 54.840 -0.358 0.000 0.779 1409 L CB -0.494 41.358 42.059 -0.345 0.000 0.922 1409 L HN 0.055 nan 8.230 nan 0.000 0.443 1410 F N 0.459 120.310 119.950 -0.166 0.000 2.069 1410 F HA -0.229 4.297 4.527 -0.001 0.000 0.298 1410 F C 2.711 178.503 175.800 -0.013 0.000 1.113 1410 F CA 0.705 58.606 58.000 -0.165 0.000 1.214 1410 F CB -0.090 38.632 39.000 -0.463 0.000 0.978 1410 F HN 0.101 nan 8.300 nan 0.000 0.474 1411 E N 0.630 120.887 120.200 0.095 0.000 2.077 1411 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 1411 E C 2.381 178.953 176.600 -0.047 0.000 0.989 1411 E CA 1.064 57.465 56.400 0.003 0.000 0.800 1411 E CB -0.572 29.083 29.700 -0.074 0.000 0.746 1411 E HN 0.384 nan 8.360 nan 0.000 0.452 1412 A N 1.700 124.440 122.820 -0.134 0.000 1.884 1412 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 1412 A C 2.536 180.111 177.584 -0.015 0.000 1.197 1412 A CA 2.329 54.232 52.037 -0.223 0.000 0.637 1412 A CB -1.392 17.185 19.000 -0.705 0.000 0.827 1412 A HN 0.361 nan 8.150 nan 0.000 0.450 1413 G N -0.806 108.052 108.800 0.096 0.000 2.459 1413 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.217 1413 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.217 1413 G C 1.746 176.752 174.900 0.176 0.000 1.183 1413 G CA 1.680 46.925 45.100 0.241 0.000 0.776 1413 G HN 0.959 nan 8.290 nan 0.000 0.552 1414 A N 0.086 122.991 122.820 0.143 0.000 2.014 1414 A HA 0.191 4.511 4.320 -0.001 0.000 0.218 1414 A C 2.542 180.013 177.584 -0.188 0.000 1.163 1414 A CA 1.928 53.947 52.037 -0.031 0.000 0.652 1414 A CB -0.212 18.755 19.000 -0.055 0.000 0.808 1414 A HN 0.290 nan 8.150 nan 0.000 0.449 1415 S N -1.270 114.350 115.700 -0.134 0.000 2.527 1415 S HA 0.366 4.835 4.470 -0.001 0.000 0.222 1415 S C 1.094 175.683 174.600 -0.020 0.000 0.985 1415 S CA 0.705 58.813 58.200 -0.154 0.000 0.921 1415 S CB -0.170 62.952 63.200 -0.131 0.000 0.772 1415 S HN 1.624 nan 8.310 nan 0.000 0.529 1416 A N 2.098 124.959 122.820 0.068 0.000 2.667 1416 A HA -0.219 4.101 4.320 -0.001 0.000 0.298 1416 A C 0.260 177.896 177.584 0.086 0.000 1.483 1416 A CA 0.867 52.987 52.037 0.138 0.000 0.738 1416 A CB -1.988 17.167 19.000 0.258 0.000 1.067 1416 A HN 0.640 nan 8.150 nan 0.000 0.451 1417 E N -0.374 119.882 120.200 0.093 0.000 2.316 1417 E HA 0.440 4.789 4.350 -0.001 0.000 0.275 1417 E C -0.320 176.362 176.600 0.137 0.000 1.029 1417 E CA -0.651 55.800 56.400 0.085 0.000 0.871 1417 E CB 0.552 30.274 29.700 0.036 0.000 1.022 1417 E HN 0.990 nan 8.360 nan 0.000 0.418 1418 L N 5.083 126.344 121.223 0.063 0.000 2.277 1418 L HA 0.323 4.662 4.340 -0.001 0.000 0.284 1418 L C -1.169 175.727 176.870 0.044 0.000 1.028 1418 L CA -0.442 54.407 54.840 0.015 0.000 0.835 1418 L CB 1.150 43.191 42.059 -0.031 0.000 1.215 1418 L HN 0.444 nan 8.230 nan 0.000 0.425 1419 D N 2.655 123.103 120.400 0.080 0.000 2.346 1419 D HA 0.072 4.711 4.640 -0.001 0.000 0.260 1419 D C 0.659 176.965 176.300 0.009 0.000 1.252 1419 D CA 0.396 54.438 54.000 0.071 0.000 0.895 1419 D CB 1.060 41.941 40.800 0.134 0.000 1.097 1419 D HN 0.693 nan 8.370 nan 0.000 0.489 1420 D N 0.360 120.766 120.400 0.010 0.000 2.347 1420 D HA -0.065 4.575 4.640 -0.001 0.000 0.215 1420 D C 0.178 176.477 176.300 -0.002 0.000 0.976 1420 D CA -0.229 53.770 54.000 -0.000 0.000 0.884 1420 D CB -0.209 40.593 40.800 0.004 0.000 0.915 1420 D HN 0.280 nan 8.370 nan 0.000 0.526 1421 C N 0.754 120.055 119.300 0.002 0.000 3.873 1421 C HA -0.135 4.325 4.460 -0.001 0.000 0.302 1421 C C 1.171 176.156 174.990 -0.007 0.000 1.266 1421 C CA -0.028 58.987 59.018 -0.005 0.000 2.185 1421 C CB -2.201 25.528 27.740 -0.017 0.000 1.380 1421 C HN 0.512 nan 8.230 nan 0.000 0.623 1422 R N -0.219 120.278 120.500 -0.004 0.000 2.469 1422 R HA 0.220 4.559 4.340 -0.001 0.000 0.250 1422 R C 1.262 177.551 176.300 -0.018 0.000 0.909 1422 R CA 0.543 56.638 56.100 -0.007 0.000 1.050 1422 R CB 0.528 30.833 30.300 0.008 0.000 1.256 1422 R HN 0.607 nan 8.270 nan 0.000 0.550 1423 G N 0.167 108.957 108.800 -0.016 0.000 2.572 1423 G HA2 0.191 4.150 3.960 -0.001 0.000 0.261 1423 G HA3 0.191 4.150 3.960 -0.001 0.000 0.261 1423 G C 1.045 175.928 174.900 -0.028 0.000 1.197 1423 G CA -0.586 44.501 45.100 -0.023 0.000 0.870 1423 G HN -0.107 nan 8.290 nan 0.000 0.548 1424 V N 0.965 120.857 119.914 -0.036 0.000 2.407 1424 V HA -0.170 3.949 4.120 -0.001 0.000 0.248 1424 V C 2.994 179.071 176.094 -0.030 0.000 1.055 1424 V CA 2.438 64.715 62.300 -0.038 0.000 1.049 1424 V CB -0.402 31.394 31.823 -0.046 0.000 0.662 1424 V HN 0.685 nan 8.190 nan 0.000 0.455 1425 S N 0.336 116.021 115.700 -0.026 0.000 2.345 1425 S HA -0.165 4.305 4.470 -0.001 0.000 0.219 1425 S C 1.954 176.551 174.600 -0.004 0.000 1.031 1425 S CA 1.448 59.638 58.200 -0.016 0.000 0.984 1425 S CB -0.374 62.816 63.200 -0.016 0.000 0.874 1425 S HN 0.848 nan 8.310 nan 0.000 0.451 1426 E N 1.780 121.980 120.200 -0.000 0.000 2.333 1426 E HA -0.134 4.215 4.350 -0.001 0.000 0.198 1426 E C 1.030 177.628 176.600 -0.004 0.000 1.007 1426 E CA 0.812 57.217 56.400 0.008 0.000 0.845 1426 E CB -0.447 29.265 29.700 0.020 0.000 0.766 1426 E HN 0.423 nan 8.360 nan 0.000 0.507 1427 N N 0.696 119.388 118.700 -0.013 0.000 2.395 1427 N HA -0.023 4.717 4.740 -0.001 0.000 0.175 1427 N C 1.948 177.448 175.510 -0.017 0.000 1.029 1427 N CA 0.698 53.737 53.050 -0.019 0.000 0.897 1427 N CB 0.300 38.770 38.487 -0.028 0.000 0.991 1427 N HN 0.061 nan 8.380 nan 0.000 0.441 1428 V N 1.977 121.883 119.914 -0.014 0.000 2.270 1428 V HA -0.166 3.954 4.120 -0.001 0.000 0.245 1428 V C 2.303 178.395 176.094 -0.003 0.000 1.043 1428 V CA 1.159 63.453 62.300 -0.009 0.000 1.014 1428 V CB -0.352 31.466 31.823 -0.009 0.000 0.645 1428 V HN 0.157 nan 8.190 nan 0.000 0.447 1429 I N -0.209 120.362 120.570 0.001 0.000 2.248 1429 I HA -0.292 3.877 4.170 -0.001 0.000 0.248 1429 I C 1.963 178.079 176.117 -0.001 0.000 1.107 1429 I CA 1.756 63.059 61.300 0.005 0.000 1.373 1429 I CB -0.265 37.743 38.000 0.013 0.000 1.055 1429 I HN 0.258 nan 8.210 nan 0.000 0.418 1430 L N 0.257 121.477 121.223 -0.006 0.000 2.591 1430 L HA 0.208 4.547 4.340 -0.001 0.000 0.228 1430 L C 1.505 178.367 176.870 -0.014 0.000 1.133 1430 L CA 0.382 55.214 54.840 -0.013 0.000 0.880 1430 L CB -0.460 41.587 42.059 -0.020 0.000 1.033 1430 L HN 0.455 nan 8.230 nan 0.000 0.450 1431 G N 0.632 109.425 108.800 -0.011 0.000 2.225 1431 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.267 1431 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.267 1431 G C 0.139 175.029 174.900 -0.016 0.000 1.024 1431 G CA 0.531 45.625 45.100 -0.011 0.000 0.784 1431 G HN 0.549 nan 8.290 nan 0.000 0.507 1432 Q N -1.409 118.378 119.800 -0.021 0.000 2.378 1432 Q HA 0.759 5.098 4.340 -0.001 0.000 0.276 1432 Q C 0.208 176.186 176.000 -0.037 0.000 1.083 1432 Q CA -1.342 54.444 55.803 -0.029 0.000 0.856 1432 Q CB 1.384 30.103 28.738 -0.031 0.000 1.383 1432 Q HN 0.311 nan 8.270 nan 0.000 0.458 1433 M N 1.431 121.002 119.600 -0.049 0.000 2.217 1433 M HA 0.398 4.877 4.480 -0.001 0.000 0.354 1433 M C -0.693 175.565 176.300 -0.071 0.000 1.225 1433 M CA -0.096 55.165 55.300 -0.065 0.000 1.137 1433 M CB 0.885 33.434 32.600 -0.086 0.000 1.576 1433 M HN 0.841 nan 8.290 nan 0.000 0.461 1434 A N 6.699 129.477 122.820 -0.070 0.000 2.340 1434 A HA 0.510 4.829 4.320 -0.001 0.000 0.268 1434 A C -2.145 175.388 177.584 -0.086 0.000 1.100 1434 A CA -1.372 50.626 52.037 -0.066 0.000 0.803 1434 A CB -0.266 18.701 19.000 -0.056 0.000 1.043 1434 A HN 0.712 nan 8.150 nan 0.000 0.488 1435 P HA 0.134 nan 4.420 nan 0.000 0.246 1435 P C -0.603 176.644 177.300 -0.089 0.000 1.686 1435 P CA 0.173 63.224 63.100 -0.081 0.000 0.867 1435 P CB -1.038 30.637 31.700 -0.041 0.000 1.733 1436 I N -4.587 115.924 120.570 -0.097 0.000 2.707 1436 I HA 0.746 4.915 4.170 -0.001 0.000 0.309 1436 I C 1.291 177.348 176.117 -0.100 0.000 1.001 1436 I CA -0.564 60.677 61.300 -0.098 0.000 1.129 1436 I CB 0.668 38.618 38.000 -0.083 0.000 1.308 1436 I HN 0.125 nan 8.210 nan 0.000 0.466 1437 G N 2.873 111.621 108.800 -0.087 0.000 2.693 1437 G HA2 -0.423 3.536 3.960 -0.001 0.000 0.354 1437 G HA3 -0.423 3.536 3.960 -0.001 0.000 0.354 1437 G C 1.058 175.953 174.900 -0.008 0.000 1.207 1437 G CA 1.398 46.470 45.100 -0.048 0.000 0.958 1437 G HN 0.940 nan 8.290 nan 0.000 0.560 1438 T N 1.520 116.055 114.554 -0.032 0.000 2.996 1438 T HA 0.163 4.512 4.350 -0.001 0.000 0.271 1438 T C 1.778 176.266 174.700 -0.354 0.000 1.126 1438 T CA 2.126 64.194 62.100 -0.053 0.000 1.103 1438 T CB -0.495 68.349 68.868 -0.041 0.000 0.870 1438 T HN 1.267 nan 8.240 nan 0.000 0.528 1439 G N -0.548 108.046 108.800 -0.345 0.000 3.993 1439 G HA2 0.492 4.451 3.960 -0.001 0.000 0.294 1439 G HA3 0.492 4.451 3.960 -0.001 0.000 0.294 1439 G C 0.720 175.385 174.900 -0.392 0.000 1.043 1439 G CA 0.273 45.093 45.100 -0.466 0.000 0.839 1439 G HN 0.386 nan 8.290 nan 0.000 0.516 1440 A N 0.566 123.202 122.820 -0.307 0.000 2.412 1440 A HA 0.648 4.967 4.320 -0.001 0.000 0.253 1440 A C 0.077 177.771 177.584 0.184 0.000 1.334 1440 A CA -0.170 51.852 52.037 -0.026 0.000 0.929 1440 A CB -0.912 18.122 19.000 0.056 0.000 0.983 1440 A HN 0.866 nan 8.150 nan 0.000 0.508 1441 F N -4.095 115.890 119.950 0.059 0.000 2.770 1441 F HA 0.600 5.126 4.527 -0.001 0.000 0.313 1441 F C -1.513 174.297 175.800 0.016 0.000 1.154 1441 F CA -1.871 56.158 58.000 0.048 0.000 0.923 1441 F CB 0.349 39.393 39.000 0.073 0.000 1.301 1441 F HN -0.155 nan 8.300 nan 0.000 0.449 1442 D N 0.915 121.440 120.400 0.207 0.000 2.326 1442 D HA 0.704 5.344 4.640 -0.001 0.000 0.251 1442 D C -0.842 175.596 176.300 0.230 0.000 1.023 1442 D CA -0.345 53.724 54.000 0.115 0.000 0.966 1442 D CB 2.492 43.326 40.800 0.057 0.000 1.156 1442 D HN 0.464 nan 8.370 nan 0.000 0.494 1443 V N 1.235 121.234 119.914 0.142 0.000 2.823 1443 V HA 0.660 4.780 4.120 -0.001 0.000 0.312 1443 V C -0.042 176.093 176.094 0.068 0.000 1.072 1443 V CA -0.627 61.752 62.300 0.132 0.000 0.937 1443 V CB 1.770 33.678 31.823 0.143 0.000 1.013 1443 V HN 0.536 nan 8.190 nan 0.000 0.430 1444 M N 3.563 123.193 119.600 0.050 0.000 2.682 1444 M HA 0.662 5.141 4.480 -0.001 0.000 0.272 1444 M C -1.108 175.207 176.300 0.024 0.000 1.232 1444 M CA -0.885 54.434 55.300 0.032 0.000 0.849 1444 M CB 2.124 34.739 32.600 0.026 0.000 1.695 1444 M HN 0.493 nan 8.290 nan 0.000 0.481 1445 I N -0.333 120.248 120.570 0.019 0.000 2.618 1445 I HA 0.262 4.432 4.170 -0.001 0.000 0.284 1445 I C -0.033 176.090 176.117 0.010 0.000 1.146 1445 I CA -0.031 61.278 61.300 0.015 0.000 1.425 1445 I CB 0.011 38.019 38.000 0.014 0.000 1.383 1445 I HN 0.503 nan 8.210 nan 0.000 0.562 1446 D N 4.679 125.083 120.400 0.007 0.000 2.424 1446 D HA 0.039 4.679 4.640 -0.001 0.000 0.244 1446 D C -0.002 176.300 176.300 0.003 0.000 1.134 1446 D CA 0.269 54.270 54.000 0.002 0.000 0.881 1446 D CB 1.006 41.806 40.800 -0.001 0.000 1.191 1446 D HN 0.638 nan 8.370 nan 0.000 0.445 1447 E N 1.740 121.941 120.200 0.002 0.000 3.575 1447 E HA 0.107 4.457 4.350 -0.001 0.000 0.201 1447 E C -0.357 176.244 176.600 0.001 0.000 0.999 1447 E CA -0.051 56.350 56.400 0.002 0.000 1.315 1447 E CB -0.118 29.584 29.700 0.004 0.000 1.146 1447 E HN 0.666 nan 8.360 nan 0.000 0.453 1448 E N -1.876 118.323 120.200 -0.001 0.000 2.703 1448 E HA 0.115 4.465 4.350 -0.001 0.000 0.214 1448 E C -0.322 176.276 176.600 -0.002 0.000 0.944 1448 E CA -0.203 56.196 56.400 -0.002 0.000 1.299 1448 E CB 0.034 29.733 29.700 -0.003 0.000 1.189 1448 E HN 0.071 nan 8.360 nan 0.000 0.597 1449 S N 1.419 117.117 115.700 -0.002 0.000 2.489 1449 S HA 0.482 4.951 4.470 -0.001 0.000 0.277 1449 S C 0.380 174.979 174.600 -0.001 0.000 1.230 1449 S CA -0.829 57.370 58.200 -0.002 0.000 1.053 1449 S CB 1.083 64.281 63.200 -0.003 0.000 0.955 1449 S HN 0.216 nan 8.310 nan 0.000 0.488 1450 L N 0.000 121.222 121.223 -0.001 0.000 2.949 1450 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 1450 L CA 0.000 54.840 54.840 -0.000 0.000 0.813 1450 L CB 0.000 42.059 42.059 -0.000 0.000 0.961 1450 L HN 0.000 nan 8.230 nan 0.000 0.502