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 3i8e_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSYNYVVTAQ KPTAVNGcVT GHFTSAEDLN LLIAKNTRLE IYVVTAEGLR DATA SEQUENCE PVKEVGMYGK IAVMELFRPK GESKDLLFIL TAKYNACILE YKQSGESIDI DATA SEQUENCE ITRAHGNVQD RIGRPSETGI IGIIDPECRM IGLRLYDGLF KVIPLDRDNK DATA SEQUENCE ELKAFNIRLE ELHVIDVKFL YGCQAPTICF VYQDPQGRHV KTYEVSLREK DATA SEQUENCE EFNKGPWKQE NVEAEASMVI AVPEPFGGAI IIGQESITYH NGDKYLAIAP DATA SEQUENCE PIIKQSTIVC HNRVDPNGSR YLLGDMEGRL FMLLLEKEEQ MDGTVTLKDL DATA SEQUENCE RVELLGETSI AEcLTYLDNG VVFVGSRLGD SQLVKLNVDS NEQGSYVVAM DATA SEQUENCE ETFTNLGPIV DMCVVDLERQ GQGQLVTCSG AFKEGSLRII RNGIGIHEHA DATA SEQUENCE SIDLPGIKGL WPLRSDPNRE TYDTLVLSFV GQTRVLMLNG EEVEETELMG DATA SEQUENCE FVDDQQTFFC GNVAHQQLIQ ITSASVRLVS QEPKALVSEW KEPQAKNISV DATA SEQUENCE ASCNSSQVVV AVGRALYYLQ IHPQELRQIS HTEMEHEVAC LDITPLGDSN DATA SEQUENCE GLSPLCAIGL WTDISARILK LPSFELLHKE MLGGEIIPRS ILMTTFESSH DATA SEQUENCE YLLCALGDGA LFYFGLNIET GLLSDRKKVT LGTQPTVLRT FRSLSTTNVF DATA SEQUENCE ACSDRPTVIY SSNHKLVFSN VNLKEVNYMC PLNSDGYPDS LALANNSTLT DATA SEQUENCE IGTIDEIQKL HIRTVPLYES PRKICYQEVS QCFGVLSSRI EVQDTSGGTT DATA SEQUENCE ALRPSASTQA LSSSVSSSKL FSSXXXXXXX XXGEEVEVHN LLIIDQHTFE DATA SEQUENCE VLHAHQFLQN EYALSLVSCK LGKDPNTYFI VGTAMVYPEE AEPKQGRIVV DATA SEQUENCE FQYSDGKLQT VAEKEVKGAV YSMVEFNGKL LASINSTVRL YEWTTEKDVR DATA SEQUENCE TECNHYNNIM ALYLKTKGDF ILVGDLMRSV LLLAYKPMEG NFEEIARDFN DATA SEQUENCE PNWMSAVEIL DDDNFLGAEN AFNLFVCQKD SAATTDEERQ HLQEVGLFHL DATA SEQUENCE GEFVNVFCHG SLVMQXXXXX XXPTQGSVLF GTVNGMIGLV TSLSESWYNL DATA SEQUENCE LLDMQNRLNK VIKSVGKIEH SFWRSFHTER KTEPATGFID GDLIESFLDI DATA SEQUENCE SRPKMQEVVA NXXXXXXXXX XREATADDLI KVVEELTRIH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.826 176.300 -0.790 0.000 1.140 1 M CA 0.000 54.982 55.300 -0.531 0.000 0.988 1 M CB 0.000 32.322 32.600 -0.463 0.000 1.302 2 S N 3.031 118.271 115.700 -0.766 0.000 2.653 2 S HA 0.660 5.130 4.470 -0.000 0.000 0.272 2 S C -1.635 172.621 174.600 -0.573 0.000 1.221 2 S CA -0.357 57.464 58.200 -0.631 0.000 1.149 2 S CB 0.442 63.409 63.200 -0.388 0.000 1.029 2 S HN 0.557 nan 8.310 nan 0.000 0.481 3 Y N 3.783 123.938 120.300 -0.241 0.000 2.425 3 Y HA 0.520 5.070 4.550 -0.000 0.000 0.347 3 Y C 0.802 176.645 175.900 -0.096 0.000 0.976 3 Y CA -1.088 56.931 58.100 -0.136 0.000 1.190 3 Y CB 0.392 38.818 38.460 -0.057 0.000 1.136 3 Y HN 0.524 nan 8.280 nan 0.000 0.517 4 N N 2.200 120.875 118.700 -0.040 0.000 2.265 4 N HA 0.270 5.010 4.740 -0.000 0.000 0.300 4 N C -1.926 173.579 175.510 -0.009 0.000 1.148 4 N CA -0.831 52.089 53.050 -0.217 0.000 0.772 4 N CB 2.703 40.700 38.487 -0.816 0.000 1.434 4 N HN 0.618 nan 8.380 nan 0.000 0.481 5 Y N 1.278 121.548 120.300 -0.050 0.000 2.327 5 Y HA 0.396 4.945 4.550 -0.000 0.000 0.325 5 Y C -0.858 175.092 175.900 0.083 0.000 0.999 5 Y CA -0.792 57.332 58.100 0.040 0.000 1.195 5 Y CB 0.726 39.232 38.460 0.078 0.000 1.132 5 Y HN 0.272 nan 8.280 nan 0.000 0.455 6 V N 4.480 124.233 119.914 -0.269 0.000 2.532 6 V HA 0.928 5.048 4.120 -0.000 0.000 0.295 6 V C -0.835 175.041 176.094 -0.364 0.000 1.041 6 V CA -0.926 61.267 62.300 -0.178 0.000 0.926 6 V CB 1.129 32.944 31.823 -0.014 0.000 0.992 6 V HN 0.569 nan 8.190 nan 0.000 0.457 7 V N 1.348 121.152 119.914 -0.183 0.000 2.841 7 V HA 0.488 4.607 4.120 -0.000 0.000 0.310 7 V C 0.139 176.152 176.094 -0.134 0.000 1.090 7 V CA -0.520 61.669 62.300 -0.184 0.000 0.930 7 V CB 1.819 33.521 31.823 -0.202 0.000 1.014 7 V HN 0.912 nan 8.190 nan 0.000 0.425 8 T N 3.086 117.599 114.554 -0.068 0.000 2.776 8 T HA 0.354 4.704 4.350 -0.000 0.000 0.292 8 T C 1.176 175.781 174.700 -0.157 0.000 0.921 8 T CA 0.526 62.580 62.100 -0.077 0.000 1.038 8 T CB 1.077 69.962 68.868 0.028 0.000 0.910 8 T HN 0.994 nan 8.240 nan 0.000 0.536 9 A N 3.509 126.151 122.820 -0.297 0.000 2.167 9 A HA 0.167 4.486 4.320 -0.000 0.000 0.214 9 A C 1.022 178.579 177.584 -0.046 0.000 1.151 9 A CA 0.536 52.426 52.037 -0.245 0.000 0.735 9 A CB -0.040 18.783 19.000 -0.296 0.000 0.802 9 A HN 0.660 nan 8.150 nan 0.000 0.467 10 Q N -0.153 119.601 119.800 -0.077 0.000 2.429 10 Q HA 0.291 4.630 4.340 -0.000 0.000 0.247 10 Q C -1.542 174.429 176.000 -0.048 0.000 0.915 10 Q CA -0.373 55.402 55.803 -0.047 0.000 0.971 10 Q CB 0.637 29.335 28.738 -0.067 0.000 1.468 10 Q HN 0.294 nan 8.270 nan 0.000 0.439 11 K N 4.415 124.804 120.400 -0.018 0.000 2.355 11 K HA 0.308 4.628 4.320 -0.000 0.000 0.270 11 K C -2.233 174.357 176.600 -0.017 0.000 1.003 11 K CA -1.531 54.750 56.287 -0.009 0.000 0.957 11 K CB -0.007 32.493 32.500 -0.001 0.000 0.939 11 K HN 0.471 nan 8.250 nan 0.000 0.482 12 P HA -0.055 nan 4.420 nan 0.000 0.263 12 P C 0.356 177.648 177.300 -0.013 0.000 1.195 12 P CA 0.257 63.351 63.100 -0.010 0.000 0.762 12 P CB 0.450 32.150 31.700 -0.001 0.000 0.799 13 T N -0.523 114.022 114.554 -0.016 0.000 3.040 13 T HA 0.301 4.650 4.350 -0.000 0.000 0.250 13 T C 0.819 175.518 174.700 -0.001 0.000 1.058 13 T CA -0.167 61.929 62.100 -0.008 0.000 0.988 13 T CB 0.005 68.865 68.868 -0.012 0.000 0.993 13 T HN 0.384 nan 8.240 nan 0.000 0.519 14 A N 1.827 124.643 122.820 -0.007 0.000 2.409 14 A HA 0.577 4.896 4.320 -0.000 0.000 0.267 14 A C 0.247 177.836 177.584 0.007 0.000 1.127 14 A CA -0.471 51.564 52.037 -0.003 0.000 0.795 14 A CB 0.118 19.111 19.000 -0.011 0.000 1.061 14 A HN 0.334 nan 8.150 nan 0.000 0.502 15 V N 4.234 124.164 119.914 0.026 0.000 2.470 15 V HA 0.060 4.179 4.120 -0.000 0.000 0.276 15 V C 0.706 176.816 176.094 0.028 0.000 1.040 15 V CA -0.026 62.302 62.300 0.047 0.000 1.008 15 V CB 0.707 32.602 31.823 0.121 0.000 0.990 15 V HN 0.974 nan 8.190 nan 0.000 0.477 16 N N 3.254 121.959 118.700 0.008 0.000 2.250 16 N HA 0.241 4.981 4.740 -0.000 0.000 0.190 16 N C 0.485 175.993 175.510 -0.004 0.000 1.116 16 N CA 0.728 53.775 53.050 -0.005 0.000 0.881 16 N CB 1.546 40.015 38.487 -0.030 0.000 1.006 16 N HN 0.812 nan 8.380 nan 0.000 0.491 17 G N 0.204 109.004 108.800 0.001 0.000 2.556 17 G HA2 0.445 4.405 3.960 -0.000 0.000 0.294 17 G HA3 0.445 4.405 3.960 -0.000 0.000 0.294 17 G C -1.354 173.540 174.900 -0.010 0.000 1.516 17 G CA -0.566 44.532 45.100 -0.003 0.000 0.824 17 G HN 0.195 nan 8.290 nan 0.000 0.535 18 c N -0.869 117.729 118.600 -0.004 0.000 3.239 18 c HA 0.935 5.505 4.570 -0.000 0.000 0.329 18 c C -0.886 173.181 174.090 -0.039 0.000 1.252 18 c CA -0.977 55.324 56.329 -0.046 0.000 1.323 18 c CB 1.194 43.680 42.510 -0.039 0.000 1.663 18 c HN 1.529 nan 8.230 nan 0.000 0.487 19 V N 0.222 120.089 119.914 -0.080 0.000 3.178 19 V HA 0.840 4.960 4.120 -0.000 0.000 0.302 19 V C -0.448 175.602 176.094 -0.074 0.000 1.262 19 V CA 0.349 62.620 62.300 -0.048 0.000 1.030 19 V CB 2.499 34.304 31.823 -0.029 0.000 1.074 19 V HN 1.318 nan 8.190 nan 0.000 0.438 20 T N 1.821 116.353 114.554 -0.036 0.000 2.942 20 T HA 0.952 5.302 4.350 -0.000 0.000 0.289 20 T C -0.214 174.468 174.700 -0.029 0.000 1.044 20 T CA 0.462 62.527 62.100 -0.058 0.000 1.023 20 T CB 1.387 70.222 68.868 -0.056 0.000 1.123 20 T HN 1.948 nan 8.240 nan 0.000 0.512 21 G N 1.415 110.161 108.800 -0.090 0.000 2.356 21 G HA2 0.260 4.219 3.960 -0.000 0.000 0.288 21 G HA3 0.260 4.219 3.960 -0.000 0.000 0.288 21 G C -2.017 172.784 174.900 -0.165 0.000 1.302 21 G CA -0.846 44.229 45.100 -0.042 0.000 0.887 21 G HN 0.811 nan 8.290 nan 0.000 0.521 22 H N 0.162 119.267 119.070 0.059 0.000 2.643 22 H HA 0.536 5.092 4.556 -0.000 0.000 0.259 22 H C 0.218 175.597 175.328 0.084 0.000 1.298 22 H CA -0.713 55.364 56.048 0.048 0.000 1.301 22 H CB 0.771 30.547 29.762 0.023 0.000 1.422 22 H HN 0.419 nan 8.280 nan 0.000 0.521 23 F N 0.921 120.863 119.950 -0.014 0.000 2.559 23 F HA 0.064 4.591 4.527 -0.000 0.000 0.286 23 F C 1.599 177.365 175.800 -0.057 0.000 1.108 23 F CA 0.580 58.553 58.000 -0.044 0.000 1.436 23 F CB 0.492 39.438 39.000 -0.090 0.000 1.130 23 F HN 0.314 nan 8.300 nan 0.000 0.584 24 T N -0.466 113.973 114.554 -0.192 0.000 2.735 24 T HA 0.104 4.454 4.350 -0.000 0.000 0.256 24 T C 0.345 175.013 174.700 -0.053 0.000 1.042 24 T CA 1.236 63.161 62.100 -0.292 0.000 1.147 24 T CB -0.233 68.430 68.868 -0.340 0.000 0.865 24 T HN 0.062 nan 8.240 nan 0.000 0.421 25 S N -0.619 115.074 115.700 -0.011 0.000 2.540 25 S HA 0.629 5.098 4.470 -0.000 0.000 0.275 25 S C 0.933 175.579 174.600 0.078 0.000 1.123 25 S CA -0.433 57.782 58.200 0.026 0.000 0.907 25 S CB 1.842 65.057 63.200 0.024 0.000 1.081 25 S HN 0.329 nan 8.310 nan 0.000 0.476 26 A N 1.382 124.230 122.820 0.045 0.000 2.084 26 A HA -0.102 4.218 4.320 -0.000 0.000 0.221 26 A C 0.648 178.265 177.584 0.055 0.000 1.161 26 A CA 1.455 53.505 52.037 0.023 0.000 0.653 26 A CB -0.394 18.588 19.000 -0.030 0.000 0.802 26 A HN 0.734 nan 8.150 nan 0.000 0.457 27 E N 0.580 120.832 120.200 0.088 0.000 3.312 27 E HA 0.552 4.902 4.350 -0.000 0.000 0.215 27 E C -1.355 175.310 176.600 0.108 0.000 1.160 27 E CA -0.462 56.004 56.400 0.109 0.000 1.267 27 E CB 0.059 29.789 29.700 0.050 0.000 1.361 27 E HN 0.204 nan 8.360 nan 0.000 0.433 28 D N 0.281 120.774 120.400 0.155 0.000 2.736 28 D HA 0.370 5.010 4.640 -0.000 0.000 0.223 28 D C -1.653 174.601 176.300 -0.077 0.000 1.231 28 D CA -0.694 53.329 54.000 0.037 0.000 0.818 28 D CB 2.096 42.900 40.800 0.007 0.000 1.587 28 D HN 0.147 nan 8.370 nan 0.000 0.463 29 L N 2.414 123.556 121.223 -0.136 0.000 2.296 29 L HA 0.522 4.862 4.340 -0.000 0.000 0.286 29 L C -0.884 175.885 176.870 -0.169 0.000 1.023 29 L CA -0.334 54.355 54.840 -0.252 0.000 0.812 29 L CB 0.974 42.912 42.059 -0.202 0.000 1.223 29 L HN 0.243 nan 8.230 nan 0.000 0.421 30 N N 4.290 122.882 118.700 -0.180 0.000 2.314 30 N HA 0.421 5.160 4.740 -0.000 0.000 0.304 30 N C -1.525 173.913 175.510 -0.120 0.000 1.073 30 N CA -0.576 52.408 53.050 -0.110 0.000 0.822 30 N CB 2.601 41.055 38.487 -0.055 0.000 1.280 30 N HN 0.371 nan 8.380 nan 0.000 0.489 31 L N 2.616 123.777 121.223 -0.103 0.000 2.287 31 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 31 L C -1.190 175.602 176.870 -0.130 0.000 1.022 31 L CA -0.555 54.184 54.840 -0.167 0.000 0.814 31 L CB 0.768 42.658 42.059 -0.282 0.000 1.217 31 L HN 0.367 nan 8.230 nan 0.000 0.420 32 L N 6.961 128.078 121.223 -0.176 0.000 2.335 32 L HA 0.478 4.818 4.340 -0.000 0.000 0.268 32 L C -0.484 176.273 176.870 -0.188 0.000 1.037 32 L CA 0.217 54.946 54.840 -0.185 0.000 0.895 32 L CB 0.694 42.612 42.059 -0.234 0.000 1.266 32 L HN 0.468 nan 8.230 nan 0.000 0.439 33 I N 3.197 123.662 120.570 -0.174 0.000 2.297 33 I HA 0.452 4.622 4.170 -0.000 0.000 0.291 33 I C 0.559 176.609 176.117 -0.111 0.000 1.033 33 I CA -0.379 60.820 61.300 -0.169 0.000 1.253 33 I CB 1.336 39.203 38.000 -0.222 0.000 1.396 33 I HN 0.576 nan 8.210 nan 0.000 0.476 34 A N 7.640 130.401 122.820 -0.099 0.000 2.320 34 A HA 0.483 4.802 4.320 -0.000 0.000 0.287 34 A C 0.440 177.985 177.584 -0.064 0.000 1.181 34 A CA -0.557 51.423 52.037 -0.096 0.000 0.831 34 A CB 0.492 19.428 19.000 -0.106 0.000 1.102 34 A HN 0.598 nan 8.150 nan 0.000 0.513 35 K N 1.407 121.769 120.400 -0.065 0.000 3.290 35 K HA 0.090 4.410 4.320 -0.000 0.000 0.271 35 K C 1.249 177.812 176.600 -0.062 0.000 1.071 35 K CA 0.067 56.327 56.287 -0.046 0.000 1.609 35 K CB -0.365 32.113 32.500 -0.036 0.000 2.191 35 K HN 0.722 nan 8.250 nan 0.000 0.698 36 N N 0.284 118.950 118.700 -0.057 0.000 2.124 36 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 36 N C 1.400 176.845 175.510 -0.109 0.000 1.045 36 N CA 2.687 55.692 53.050 -0.074 0.000 0.846 36 N CB -0.184 38.273 38.487 -0.049 0.000 1.020 36 N HN 0.547 nan 8.380 nan 0.000 0.432 37 T N -3.044 111.450 114.554 -0.100 0.000 2.955 37 T HA 0.393 4.742 4.350 -0.000 0.000 0.251 37 T C 0.773 175.385 174.700 -0.147 0.000 1.002 37 T CA -0.460 61.546 62.100 -0.157 0.000 0.970 37 T CB 0.371 69.169 68.868 -0.116 0.000 1.091 37 T HN -0.116 nan 8.240 nan 0.000 0.495 38 R N 1.242 121.682 120.500 -0.099 0.000 2.707 38 R HA 0.669 5.009 4.340 -0.000 0.000 0.270 38 R C -0.622 175.609 176.300 -0.114 0.000 1.083 38 R CA -1.347 54.695 56.100 -0.097 0.000 1.182 38 R CB 0.149 30.411 30.300 -0.065 0.000 1.084 38 R HN 0.415 nan 8.270 nan 0.000 0.528 39 L N 0.517 121.668 121.223 -0.120 0.000 2.573 39 L HA 0.330 4.670 4.340 -0.000 0.000 0.260 39 L C -0.804 175.981 176.870 -0.142 0.000 0.997 39 L CA -0.145 54.615 54.840 -0.133 0.000 0.890 39 L CB 1.361 43.329 42.059 -0.151 0.000 1.179 39 L HN 0.521 nan 8.230 nan 0.000 0.439 40 E N 4.121 124.240 120.200 -0.134 0.000 2.360 40 E HA 0.411 4.761 4.350 -0.000 0.000 0.269 40 E C -0.795 175.655 176.600 -0.250 0.000 1.022 40 E CA 0.178 56.459 56.400 -0.200 0.000 0.887 40 E CB 1.068 30.734 29.700 -0.058 0.000 0.990 40 E HN 0.508 nan 8.360 nan 0.000 0.426 41 I N 4.406 124.732 120.570 -0.407 0.000 2.410 41 I HA 0.277 4.447 4.170 -0.000 0.000 0.286 41 I C -0.970 174.841 176.117 -0.510 0.000 1.009 41 I CA -0.643 60.459 61.300 -0.329 0.000 1.111 41 I CB 0.625 38.500 38.000 -0.208 0.000 1.262 41 I HN 0.493 nan 8.210 nan 0.000 0.443 42 Y N 4.614 124.804 120.300 -0.183 0.000 2.562 42 Y HA 0.646 5.196 4.550 -0.000 0.000 0.343 42 Y C -0.106 175.702 175.900 -0.154 0.000 1.025 42 Y CA -0.931 57.069 58.100 -0.166 0.000 1.082 42 Y CB 2.194 40.533 38.460 -0.201 0.000 1.264 42 Y HN 0.120 nan 8.280 nan 0.000 0.478 43 V N 2.589 122.536 119.914 0.054 0.000 2.604 43 V HA 0.415 4.535 4.120 -0.000 0.000 0.305 43 V C -0.678 175.422 176.094 0.009 0.000 1.043 43 V CA -1.066 61.230 62.300 -0.007 0.000 0.888 43 V CB 1.817 33.621 31.823 -0.032 0.000 0.995 43 V HN 0.535 nan 8.190 nan 0.000 0.429 44 V N 3.951 123.846 119.914 -0.032 0.000 2.649 44 V HA 0.598 4.718 4.120 -0.000 0.000 0.292 44 V C 0.594 176.677 176.094 -0.019 0.000 1.055 44 V CA -0.038 62.239 62.300 -0.038 0.000 1.023 44 V CB 1.153 32.928 31.823 -0.079 0.000 0.992 44 V HN 1.087 nan 8.190 nan 0.000 0.480 45 T N 0.595 115.145 114.554 -0.007 0.000 2.831 45 T HA 0.692 5.041 4.350 -0.000 0.000 0.287 45 T C 1.022 175.724 174.700 0.003 0.000 1.070 45 T CA -0.100 62.003 62.100 0.006 0.000 1.010 45 T CB 1.814 70.697 68.868 0.025 0.000 1.264 45 T HN 0.704 nan 8.240 nan 0.000 0.532 46 A N 0.166 122.992 122.820 0.010 0.000 1.940 46 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 46 A C 2.193 179.785 177.584 0.014 0.000 1.176 46 A CA 1.962 54.005 52.037 0.011 0.000 0.631 46 A CB -0.999 18.010 19.000 0.016 0.000 0.814 46 A HN 0.910 nan 8.150 nan 0.000 0.446 47 E N -0.621 119.592 120.200 0.022 0.000 2.046 47 E HA 0.139 4.488 4.350 -0.000 0.000 0.190 47 E C 1.308 177.925 176.600 0.028 0.000 0.982 47 E CA 1.832 58.248 56.400 0.026 0.000 0.800 47 E CB -0.127 29.595 29.700 0.036 0.000 0.756 47 E HN 0.552 nan 8.360 nan 0.000 0.449 48 G N 0.069 108.886 108.800 0.028 0.000 2.070 48 G HA2 0.077 4.037 3.960 -0.000 0.000 0.076 48 G HA3 0.077 4.037 3.960 -0.000 0.000 0.076 48 G C -1.422 173.489 174.900 0.018 0.000 0.735 48 G CA -0.093 45.025 45.100 0.030 0.000 1.158 48 G HN 0.075 nan 8.290 nan 0.000 0.393 49 L N 1.691 122.932 121.223 0.030 0.000 2.319 49 L HA 0.627 4.967 4.340 -0.000 0.000 0.281 49 L C 0.383 177.335 176.870 0.136 0.000 1.005 49 L CA -0.752 54.099 54.840 0.019 0.000 0.828 49 L CB 1.401 43.328 42.059 -0.221 0.000 1.227 49 L HN 0.581 nan 8.230 nan 0.000 0.415 50 R N 5.217 125.803 120.500 0.144 0.000 2.196 50 R HA 0.408 4.748 4.340 -0.000 0.000 0.340 50 R C -2.346 174.053 176.300 0.165 0.000 1.043 50 R CA -1.419 54.767 56.100 0.142 0.000 0.883 50 R CB 0.899 31.248 30.300 0.082 0.000 1.078 50 R HN 0.304 nan 8.270 nan 0.000 0.462 51 P HA -0.041 nan 4.420 nan 0.000 0.269 51 P C -0.290 176.924 177.300 -0.143 0.000 1.215 51 P CA -0.162 62.850 63.100 -0.147 0.000 0.780 51 P CB 1.167 32.809 31.700 -0.096 0.000 0.898 52 V N 0.569 120.328 119.914 -0.257 0.000 3.177 52 V HA 0.249 4.368 4.120 -0.000 0.000 0.220 52 V C -0.019 175.998 176.094 -0.129 0.000 1.395 52 V CA 0.822 63.023 62.300 -0.164 0.000 1.317 52 V CB 0.293 31.997 31.823 -0.198 0.000 1.148 52 V HN 0.475 nan 8.190 nan 0.000 0.499 53 K N 0.830 121.118 120.400 -0.188 0.000 2.575 53 K HA 0.365 4.684 4.320 -0.000 0.000 0.255 53 K C -1.533 174.969 176.600 -0.164 0.000 0.953 53 K CA -0.160 56.064 56.287 -0.105 0.000 0.840 53 K CB 1.703 34.219 32.500 0.027 0.000 1.303 53 K HN 0.093 nan 8.250 nan 0.000 0.438 54 E N 3.937 124.057 120.200 -0.133 0.000 2.191 54 E HA 0.492 4.842 4.350 -0.000 0.000 0.263 54 E C -1.256 175.288 176.600 -0.093 0.000 0.881 54 E CA -0.743 55.575 56.400 -0.137 0.000 0.757 54 E CB 1.519 31.135 29.700 -0.139 0.000 1.147 54 E HN 0.485 nan 8.360 nan 0.000 0.414 55 V N 0.925 120.781 119.914 -0.096 0.000 2.962 55 V HA 0.913 5.033 4.120 -0.000 0.000 0.313 55 V C 0.312 176.336 176.094 -0.116 0.000 1.099 55 V CA -0.590 61.653 62.300 -0.095 0.000 0.971 55 V CB 1.569 33.338 31.823 -0.090 0.000 1.028 55 V HN 0.581 nan 8.190 nan 0.000 0.430 56 G N 2.064 110.787 108.800 -0.129 0.000 2.535 56 G HA2 0.735 4.695 3.960 -0.000 0.000 0.303 56 G HA3 0.735 4.695 3.960 -0.000 0.000 0.303 56 G C -0.787 173.960 174.900 -0.256 0.000 1.237 56 G CA -0.835 44.170 45.100 -0.157 0.000 0.986 56 G HN 0.812 nan 8.290 nan 0.000 0.494 57 M N -1.606 117.801 119.600 -0.321 0.000 2.664 57 M HA 0.287 4.767 4.480 -0.000 0.000 0.279 57 M C -1.639 174.313 176.300 -0.579 0.000 1.275 57 M CA -0.650 54.378 55.300 -0.453 0.000 0.829 57 M CB 2.682 35.068 32.600 -0.357 0.000 1.727 57 M HN 0.420 nan 8.290 nan 0.000 0.459 58 Y N 0.850 120.786 120.300 -0.607 0.000 2.888 58 Y HA 0.635 5.184 4.550 -0.000 0.000 0.341 58 Y C 0.541 175.616 175.900 -1.376 0.000 1.241 58 Y CA -0.723 56.678 58.100 -1.165 0.000 1.440 58 Y CB 0.105 38.284 38.460 -0.467 0.000 1.517 58 Y HN 0.720 nan 8.280 nan 0.000 0.518 59 G N 0.820 108.571 108.800 -1.749 0.000 2.347 59 G HA2 0.163 4.122 3.960 -0.000 0.000 0.303 59 G HA3 0.163 4.122 3.960 -0.000 0.000 0.303 59 G C -1.564 172.988 174.900 -0.580 0.000 1.481 59 G CA -1.363 43.123 45.100 -1.024 0.000 0.914 59 G HN 0.105 nan 8.290 nan 0.000 0.638 60 K N 0.597 120.863 120.400 -0.224 0.000 2.276 60 K HA 0.454 4.774 4.320 -0.000 0.000 0.285 60 K C 0.351 176.830 176.600 -0.201 0.000 1.062 60 K CA -0.382 55.796 56.287 -0.181 0.000 0.918 60 K CB 1.518 33.915 32.500 -0.171 0.000 1.055 60 K HN 0.385 nan 8.250 nan 0.000 0.477 61 I N 2.245 122.696 120.570 -0.199 0.000 2.648 61 I HA -0.091 4.078 4.170 -0.000 0.000 0.284 61 I C 1.038 177.057 176.117 -0.163 0.000 1.153 61 I CA 0.553 61.738 61.300 -0.191 0.000 1.426 61 I CB 1.026 38.919 38.000 -0.177 0.000 1.381 61 I HN 0.818 nan 8.210 nan 0.000 0.571 62 A N 5.123 127.842 122.820 -0.170 0.000 2.141 62 A HA 0.433 4.753 4.320 -0.000 0.000 0.196 62 A C 0.166 177.684 177.584 -0.109 0.000 1.502 62 A CA 0.100 52.054 52.037 -0.138 0.000 1.075 62 A CB 0.593 19.491 19.000 -0.171 0.000 1.217 62 A HN 0.404 nan 8.150 nan 0.000 0.477 63 V N 0.708 120.536 119.914 -0.143 0.000 2.656 63 V HA 0.668 4.788 4.120 -0.000 0.000 0.307 63 V C -0.560 175.439 176.094 -0.158 0.000 1.051 63 V CA -0.228 62.010 62.300 -0.103 0.000 0.893 63 V CB 1.562 33.344 31.823 -0.067 0.000 0.999 63 V HN 0.500 nan 8.190 nan 0.000 0.426 64 M N 4.346 123.904 119.600 -0.071 0.000 2.164 64 M HA 0.525 5.005 4.480 -0.000 0.000 0.260 64 M C -1.812 174.508 176.300 0.034 0.000 0.974 64 M CA -0.188 55.068 55.300 -0.074 0.000 1.020 64 M CB 1.486 34.022 32.600 -0.107 0.000 1.903 64 M HN 0.656 nan 8.290 nan 0.000 0.469 65 E N 4.658 124.943 120.200 0.141 0.000 2.266 65 E HA 0.537 4.887 4.350 -0.000 0.000 0.268 65 E C -1.377 175.384 176.600 0.268 0.000 0.879 65 E CA -0.694 55.835 56.400 0.215 0.000 0.762 65 E CB 3.111 32.985 29.700 0.290 0.000 1.199 65 E HN 0.742 nan 8.360 nan 0.000 0.422 66 L N 2.882 124.231 121.223 0.210 0.000 2.325 66 L HA 0.580 4.920 4.340 -0.000 0.000 0.279 66 L C -0.348 176.728 176.870 0.344 0.000 1.054 66 L CA -0.795 54.175 54.840 0.217 0.000 0.804 66 L CB 0.417 42.535 42.059 0.097 0.000 1.200 66 L HN 0.518 nan 8.230 nan 0.000 0.436 67 F N 0.923 120.932 119.950 0.099 0.000 2.678 67 F HA 0.695 5.221 4.527 -0.000 0.000 0.308 67 F C -0.934 174.911 175.800 0.074 0.000 1.118 67 F CA -1.162 56.879 58.000 0.069 0.000 0.959 67 F CB 1.663 40.678 39.000 0.026 0.000 1.305 67 F HN 0.333 nan 8.300 nan 0.000 0.443 68 R N 3.617 124.146 120.500 0.048 0.000 2.539 68 R HA 0.523 4.863 4.340 -0.000 0.000 0.295 68 R C -3.074 173.261 176.300 0.057 0.000 1.138 68 R CA -1.546 54.525 56.100 -0.049 0.000 0.936 68 R CB 1.828 32.109 30.300 -0.032 0.000 1.182 68 R HN 0.621 nan 8.270 nan 0.000 0.459 69 P HA 0.180 nan 4.420 nan 0.000 0.279 69 P C -0.878 176.444 177.300 0.037 0.000 1.282 69 P CA -0.551 62.602 63.100 0.089 0.000 0.788 69 P CB 0.684 32.457 31.700 0.122 0.000 1.139 70 K N -0.650 119.768 120.400 0.030 0.000 2.380 70 K HA 0.194 4.514 4.320 -0.000 0.000 0.267 70 K C 1.282 177.890 176.600 0.013 0.000 0.990 70 K CA 0.719 57.016 56.287 0.016 0.000 0.946 70 K CB -0.875 31.633 32.500 0.014 0.000 0.937 70 K HN 0.913 nan 8.250 nan 0.000 0.491 71 G N 0.941 109.744 108.800 0.005 0.000 2.168 71 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 71 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 71 G C -0.087 174.810 174.900 -0.004 0.000 0.997 71 G CA 0.350 45.450 45.100 0.001 0.000 0.708 71 G HN 0.520 nan 8.290 nan 0.000 0.520 72 E N -0.284 119.910 120.200 -0.010 0.000 2.212 72 E HA 0.571 4.921 4.350 -0.000 0.000 0.268 72 E C 1.416 177.997 176.600 -0.033 0.000 0.902 72 E CA 0.154 56.540 56.400 -0.024 0.000 0.779 72 E CB 1.619 31.297 29.700 -0.037 0.000 1.172 72 E HN 0.279 nan 8.360 nan 0.000 0.409 73 S N 3.274 118.951 115.700 -0.039 0.000 2.326 73 S HA -0.039 4.431 4.470 -0.000 0.000 0.211 73 S C 0.902 175.474 174.600 -0.046 0.000 1.031 73 S CA 0.705 58.881 58.200 -0.040 0.000 0.985 73 S CB -0.167 63.009 63.200 -0.039 0.000 0.961 73 S HN 0.502 nan 8.310 nan 0.000 0.436 74 K N 1.186 121.556 120.400 -0.051 0.000 2.280 74 K HA 0.497 4.817 4.320 -0.000 0.000 0.234 74 K C -1.607 174.965 176.600 -0.046 0.000 1.028 74 K CA -0.782 55.482 56.287 -0.038 0.000 0.882 74 K CB 0.334 32.814 32.500 -0.034 0.000 1.194 74 K HN -0.019 nan 8.250 nan 0.000 0.458 75 D N 0.789 121.193 120.400 0.007 0.000 2.399 75 D HA 0.201 4.841 4.640 -0.000 0.000 0.241 75 D C -0.253 176.056 176.300 0.015 0.000 1.133 75 D CA 0.078 54.073 54.000 -0.007 0.000 0.890 75 D CB 0.482 41.343 40.800 0.102 0.000 1.201 75 D HN 0.308 nan 8.370 nan 0.000 0.432 76 L N 1.226 122.305 121.223 -0.239 0.000 2.332 76 L HA 0.524 4.864 4.340 -0.000 0.000 0.269 76 L C -0.532 176.280 176.870 -0.098 0.000 1.016 76 L CA -1.269 53.473 54.840 -0.164 0.000 0.809 76 L CB 0.916 42.703 42.059 -0.453 0.000 1.280 76 L HN 0.169 nan 8.230 nan 0.000 0.447 77 L N 1.207 122.529 121.223 0.165 0.000 2.325 77 L HA 0.539 4.878 4.340 -0.000 0.000 0.278 77 L C -1.147 175.947 176.870 0.373 0.000 1.023 77 L CA -0.078 54.826 54.840 0.106 0.000 0.811 77 L CB 1.479 43.371 42.059 -0.278 0.000 1.249 77 L HN 0.384 nan 8.230 nan 0.000 0.431 78 F N 6.363 126.467 119.950 0.258 0.000 2.449 78 F HA 0.684 5.210 4.527 -0.000 0.000 0.342 78 F C -1.261 174.564 175.800 0.042 0.000 1.127 78 F CA -0.810 57.302 58.000 0.186 0.000 0.975 78 F CB 0.850 39.923 39.000 0.122 0.000 1.146 78 F HN 0.220 nan 8.300 nan 0.000 0.444 79 I N 7.229 127.397 120.570 -0.670 0.000 2.569 79 I HA 0.420 4.590 4.170 -0.000 0.000 0.296 79 I C -1.394 174.263 176.117 -0.768 0.000 1.028 79 I CA -0.997 59.933 61.300 -0.617 0.000 1.082 79 I CB 1.719 39.528 38.000 -0.319 0.000 1.264 79 I HN 0.582 nan 8.210 nan 0.000 0.429 80 L N 5.424 126.296 121.223 -0.585 0.000 2.415 80 L HA 0.460 4.800 4.340 -0.000 0.000 0.268 80 L C -0.002 176.706 176.870 -0.269 0.000 0.984 80 L CA 0.070 54.675 54.840 -0.392 0.000 0.853 80 L CB 1.422 43.285 42.059 -0.327 0.000 1.215 80 L HN 0.596 nan 8.230 nan 0.000 0.419 81 T N 3.513 117.938 114.554 -0.215 0.000 2.946 81 T HA 0.179 4.529 4.350 -0.000 0.000 0.311 81 T C 1.575 176.129 174.700 -0.244 0.000 1.063 81 T CA 0.479 62.465 62.100 -0.190 0.000 1.139 81 T CB 1.203 70.006 68.868 -0.108 0.000 0.994 81 T HN 0.784 nan 8.240 nan 0.000 0.547 82 A N 2.922 125.594 122.820 -0.247 0.000 2.076 82 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 82 A C 1.818 179.152 177.584 -0.417 0.000 1.160 82 A CA 1.272 53.103 52.037 -0.343 0.000 0.653 82 A CB -0.360 18.512 19.000 -0.213 0.000 0.801 82 A HN 0.780 nan 8.150 nan 0.000 0.455 83 K N -1.147 119.140 120.400 -0.189 0.000 2.627 83 K HA 0.215 4.535 4.320 -0.000 0.000 0.212 83 K C -1.021 175.717 176.600 0.229 0.000 1.041 83 K CA -0.309 55.970 56.287 -0.013 0.000 1.205 83 K CB -0.265 32.292 32.500 0.094 0.000 0.936 83 K HN 0.504 nan 8.250 nan 0.000 0.489 84 Y N -1.114 119.210 120.300 0.041 0.000 3.305 84 Y HA -0.281 4.269 4.550 -0.000 0.000 0.209 84 Y C -0.614 175.304 175.900 0.031 0.000 1.354 84 Y CA -0.061 58.060 58.100 0.035 0.000 1.392 84 Y CB -2.518 35.988 38.460 0.077 0.000 1.446 84 Y HN 0.235 nan 8.280 nan 0.000 0.553 85 N N 1.057 119.790 118.700 0.055 0.000 2.589 85 N HA 0.608 5.348 4.740 -0.000 0.000 0.232 85 N C 0.021 175.509 175.510 -0.036 0.000 1.015 85 N CA 0.192 53.250 53.050 0.012 0.000 0.931 85 N CB 0.651 39.134 38.487 -0.007 0.000 1.150 85 N HN 0.471 nan 8.380 nan 0.000 0.512 86 A N 1.687 124.518 122.820 0.017 0.000 2.304 86 A HA 0.700 5.019 4.320 -0.000 0.000 0.271 86 A C 0.097 177.712 177.584 0.051 0.000 1.091 86 A CA -0.422 51.630 52.037 0.026 0.000 0.812 86 A CB 0.124 19.231 19.000 0.179 0.000 1.056 86 A HN 0.858 nan 8.150 nan 0.000 0.489 87 C N -0.106 119.221 119.300 0.045 0.000 3.268 87 C HA 0.596 5.056 4.460 -0.000 0.000 0.374 87 C C -1.136 173.966 174.990 0.187 0.000 1.126 87 C CA -0.880 58.215 59.018 0.129 0.000 1.162 87 C CB -0.624 27.150 27.740 0.057 0.000 1.503 87 C HN 0.786 nan 8.230 nan 0.000 0.538 88 I N 2.958 123.682 120.570 0.256 0.000 2.362 88 I HA 0.565 4.734 4.170 -0.000 0.000 0.289 88 I C -0.130 176.120 176.117 0.221 0.000 0.994 88 I CA -0.428 61.071 61.300 0.333 0.000 1.158 88 I CB 1.347 39.582 38.000 0.393 0.000 1.315 88 I HN 0.593 nan 8.210 nan 0.000 0.451 89 L N 5.866 127.221 121.223 0.219 0.000 2.332 89 L HA 0.681 5.021 4.340 -0.000 0.000 0.269 89 L C -0.266 176.772 176.870 0.280 0.000 1.016 89 L CA -0.687 54.272 54.840 0.200 0.000 0.809 89 L CB 1.782 43.940 42.059 0.165 0.000 1.280 89 L HN 0.567 nan 8.230 nan 0.000 0.447 90 E N 0.365 120.713 120.200 0.247 0.000 2.335 90 E HA 0.224 4.574 4.350 -0.000 0.000 0.280 90 E C -2.111 174.460 176.600 -0.049 0.000 0.918 90 E CA -0.654 55.807 56.400 0.102 0.000 0.765 90 E CB 2.572 32.274 29.700 0.003 0.000 1.218 90 E HN 0.454 nan 8.360 nan 0.000 0.425 91 Y N 3.368 123.309 120.300 -0.599 0.000 2.320 91 Y HA 0.444 4.994 4.550 -0.000 0.000 0.334 91 Y C -0.899 174.801 175.900 -0.334 0.000 1.055 91 Y CA -0.114 57.655 58.100 -0.551 0.000 1.143 91 Y CB 1.016 38.882 38.460 -0.990 0.000 1.193 91 Y HN 0.403 nan 8.280 nan 0.000 0.477 92 K N 5.476 125.431 120.400 -0.740 0.000 2.637 92 K HA 0.251 4.571 4.320 -0.000 0.000 0.248 92 K C -1.553 174.704 176.600 -0.572 0.000 0.971 92 K CA -0.588 55.405 56.287 -0.490 0.000 0.858 92 K CB 1.202 33.532 32.500 -0.282 0.000 1.170 92 K HN 0.768 nan 8.250 nan 0.000 0.443 93 Q N 1.562 121.089 119.800 -0.455 0.000 2.282 93 Q HA 0.336 4.676 4.340 -0.000 0.000 0.260 93 Q C -0.579 175.306 176.000 -0.193 0.000 0.964 93 Q CA -0.377 55.228 55.803 -0.331 0.000 0.880 93 Q CB 1.567 30.159 28.738 -0.243 0.000 1.286 93 Q HN 0.565 nan 8.270 nan 0.000 0.445 94 S N 2.263 117.869 115.700 -0.157 0.000 2.618 94 S HA 0.303 4.773 4.470 -0.000 0.000 0.242 94 S C 0.641 175.190 174.600 -0.085 0.000 0.972 94 S CA 0.379 58.513 58.200 -0.109 0.000 1.004 94 S CB 0.346 63.487 63.200 -0.098 0.000 0.778 94 S HN 0.990 nan 8.310 nan 0.000 0.459 95 G N 2.632 111.381 108.800 -0.085 0.000 3.211 95 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.206 95 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.206 95 G C 0.704 175.567 174.900 -0.061 0.000 1.418 95 G CA 0.347 45.409 45.100 -0.063 0.000 0.958 95 G HN 0.517 nan 8.290 nan 0.000 0.567 96 E N 0.393 120.555 120.200 -0.065 0.000 2.568 96 E HA 0.319 4.669 4.350 -0.000 0.000 0.220 96 E C 0.281 176.840 176.600 -0.067 0.000 0.869 96 E CA 0.906 57.269 56.400 -0.062 0.000 1.268 96 E CB 0.260 29.930 29.700 -0.049 0.000 1.252 96 E HN 0.430 nan 8.360 nan 0.000 0.606 97 S N 3.722 119.376 115.700 -0.077 0.000 2.422 97 S HA 0.451 4.920 4.470 -0.000 0.000 0.308 97 S C 0.450 174.976 174.600 -0.124 0.000 1.097 97 S CA -0.822 57.328 58.200 -0.083 0.000 1.099 97 S CB 0.723 63.878 63.200 -0.074 0.000 0.976 97 S HN 0.336 nan 8.310 nan 0.000 0.471 98 I N 0.642 121.139 120.570 -0.122 0.000 2.385 98 I HA 0.641 4.811 4.170 -0.000 0.000 0.294 98 I C -0.668 175.329 176.117 -0.198 0.000 0.988 98 I CA -0.338 60.844 61.300 -0.196 0.000 1.265 98 I CB 1.093 39.051 38.000 -0.070 0.000 1.388 98 I HN 0.333 nan 8.210 nan 0.000 0.480 99 D N 6.675 126.877 120.400 -0.329 0.000 2.879 99 D HA 0.524 5.164 4.640 -0.000 0.000 0.236 99 D C -0.629 175.539 176.300 -0.220 0.000 1.171 99 D CA -0.156 53.713 54.000 -0.218 0.000 0.868 99 D CB 3.127 43.816 40.800 -0.184 0.000 1.598 99 D HN 0.496 nan 8.370 nan 0.000 0.497 100 I N 2.562 123.091 120.570 -0.068 0.000 2.339 100 I HA 0.393 4.562 4.170 -0.000 0.000 0.290 100 I C 0.296 176.408 176.117 -0.008 0.000 0.994 100 I CA -0.537 60.778 61.300 0.026 0.000 1.191 100 I CB 1.699 39.772 38.000 0.123 0.000 1.343 100 I HN 0.172 nan 8.210 nan 0.000 0.458 101 I N 4.495 125.063 120.570 -0.002 0.000 2.924 101 I HA 0.391 4.560 4.170 -0.000 0.000 0.316 101 I C -0.176 175.948 176.117 0.011 0.000 1.014 101 I CA -0.352 60.937 61.300 -0.018 0.000 1.106 101 I CB 2.030 40.008 38.000 -0.038 0.000 1.311 101 I HN 0.497 nan 8.210 nan 0.000 0.502 102 T N 4.221 118.772 114.554 -0.006 0.000 2.963 102 T HA 0.369 4.719 4.350 -0.000 0.000 0.343 102 T C 0.854 175.583 174.700 0.048 0.000 1.146 102 T CA -0.665 61.439 62.100 0.008 0.000 1.016 102 T CB 0.944 69.769 68.868 -0.073 0.000 1.046 102 T HN 0.454 nan 8.240 nan 0.000 0.496 103 R N 1.393 121.945 120.500 0.088 0.000 2.153 103 R HA 0.353 4.693 4.340 -0.000 0.000 0.218 103 R C 0.846 177.225 176.300 0.131 0.000 1.072 103 R CA 0.372 56.531 56.100 0.099 0.000 0.990 103 R CB 0.027 30.390 30.300 0.106 0.000 0.889 103 R HN 0.725 nan 8.270 nan 0.000 0.452 104 A N 0.288 123.212 122.820 0.175 0.000 2.588 104 A HA 0.638 4.958 4.320 -0.000 0.000 0.290 104 A C -1.318 176.443 177.584 0.294 0.000 1.136 104 A CA -0.654 51.503 52.037 0.200 0.000 0.681 104 A CB 1.572 20.668 19.000 0.159 0.000 1.282 104 A HN 0.462 nan 8.150 nan 0.000 0.421 105 H N -1.345 117.760 119.070 0.058 0.000 2.929 105 H HA 0.585 5.141 4.556 -0.000 0.000 0.268 105 H C -0.740 174.603 175.328 0.025 0.000 1.333 105 H CA -0.179 55.894 56.048 0.042 0.000 1.422 105 H CB 0.500 30.272 29.762 0.017 0.000 1.897 105 H HN 2.137 nan 8.280 nan 0.000 0.491 106 G N 0.663 109.404 108.800 -0.098 0.000 2.488 106 G HA2 0.190 4.149 3.960 -0.000 0.000 0.301 106 G HA3 0.190 4.149 3.960 -0.000 0.000 0.301 106 G C -1.801 173.075 174.900 -0.040 0.000 1.339 106 G CA -0.873 44.131 45.100 -0.160 0.000 0.803 106 G HN 0.721 nan 8.290 nan 0.000 0.482 107 N N 0.139 118.811 118.700 -0.047 0.000 2.446 107 N HA 0.327 5.067 4.740 -0.000 0.000 0.265 107 N C 0.560 176.094 175.510 0.041 0.000 0.975 107 N CA -0.325 52.723 53.050 -0.003 0.000 0.928 107 N CB 1.855 40.309 38.487 -0.054 0.000 1.160 107 N HN 0.591 nan 8.380 nan 0.000 0.495 108 V N 1.223 121.197 119.914 0.101 0.000 3.170 108 V HA 0.182 4.302 4.120 -0.000 0.000 0.354 108 V C 0.511 176.679 176.094 0.123 0.000 1.350 108 V CA -0.419 61.941 62.300 0.100 0.000 1.244 108 V CB -0.869 31.022 31.823 0.112 0.000 1.222 108 V HN 0.623 nan 8.190 nan 0.000 0.478 109 Q N -0.125 119.733 119.800 0.097 0.000 2.193 109 Q HA 0.726 5.065 4.340 -0.000 0.000 0.246 109 Q C -1.418 174.554 176.000 -0.046 0.000 0.959 109 Q CA -0.743 55.067 55.803 0.012 0.000 0.904 109 Q CB 1.613 30.308 28.738 -0.071 0.000 1.238 109 Q HN 0.464 nan 8.270 nan 0.000 0.469 110 D N -0.471 119.799 120.400 -0.216 0.000 2.527 110 D HA 0.296 4.936 4.640 -0.000 0.000 0.233 110 D C -0.072 176.021 176.300 -0.345 0.000 1.063 110 D CA -0.836 52.981 54.000 -0.306 0.000 0.880 110 D CB 1.563 42.120 40.800 -0.404 0.000 1.457 110 D HN 0.433 nan 8.370 nan 0.000 0.475 111 R N 0.386 120.757 120.500 -0.216 0.000 2.096 111 R HA 0.104 4.444 4.340 -0.000 0.000 0.235 111 R C 0.252 176.423 176.300 -0.214 0.000 1.127 111 R CA 0.805 56.806 56.100 -0.165 0.000 0.968 111 R CB -0.292 29.947 30.300 -0.102 0.000 0.861 111 R HN 0.452 nan 8.270 nan 0.000 0.440 112 I N -0.392 120.018 120.570 -0.265 0.000 2.581 112 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 112 I C 0.287 176.141 176.117 -0.438 0.000 1.047 112 I CA 0.694 61.837 61.300 -0.262 0.000 1.374 112 I CB 1.475 39.355 38.000 -0.201 0.000 1.423 112 I HN 0.391 nan 8.210 nan 0.000 0.549 113 G N 4.682 113.314 108.800 -0.280 0.000 3.393 113 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.676 113 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.676 113 G C -0.476 174.453 174.900 0.049 0.000 1.224 113 G CA -1.056 43.911 45.100 -0.223 0.000 1.109 113 G HN 0.639 nan 8.290 nan 0.000 0.519 114 R N 3.826 124.383 120.500 0.094 0.000 2.484 114 R HA 0.349 4.689 4.340 -0.000 0.000 0.293 114 R C -1.656 174.773 176.300 0.215 0.000 1.023 114 R CA -0.934 55.241 56.100 0.125 0.000 1.037 114 R CB 0.492 30.831 30.300 0.066 0.000 0.951 114 R HN 0.375 nan 8.270 nan 0.000 0.418 115 P HA 0.022 nan 4.420 nan 0.000 0.271 115 P C -0.892 176.436 177.300 0.047 0.000 1.216 115 P CA -0.159 63.000 63.100 0.097 0.000 0.776 115 P CB 1.401 33.161 31.700 0.100 0.000 0.881 116 S N 0.810 116.517 115.700 0.011 0.000 2.719 116 S HA 0.372 4.842 4.470 -0.000 0.000 0.285 116 S C 0.120 174.692 174.600 -0.048 0.000 1.137 116 S CA -0.721 57.461 58.200 -0.030 0.000 1.012 116 S CB 0.339 63.510 63.200 -0.048 0.000 1.134 116 S HN 0.395 nan 8.310 nan 0.000 0.544 117 E N 0.140 120.271 120.200 -0.116 0.000 2.437 117 E HA 0.242 4.591 4.350 -0.000 0.000 0.263 117 E C 0.329 176.910 176.600 -0.031 0.000 1.030 117 E CA 1.223 57.574 56.400 -0.082 0.000 0.934 117 E CB -0.281 29.317 29.700 -0.170 0.000 0.943 117 E HN 0.796 nan 8.360 nan 0.000 0.444 118 T N 1.181 115.744 114.554 0.014 0.000 8.285 118 T HA -0.278 4.072 4.350 -0.000 0.000 0.317 118 T C 0.945 175.659 174.700 0.025 0.000 2.029 118 T CA 1.271 63.391 62.100 0.034 0.000 3.092 118 T CB -2.320 66.579 68.868 0.052 0.000 2.254 118 T HN 1.441 nan 8.240 nan 0.000 1.172 119 G N 1.399 110.204 108.800 0.010 0.000 2.552 119 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.265 119 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.265 119 G C -0.073 174.824 174.900 -0.004 0.000 1.234 119 G CA -0.175 44.926 45.100 0.001 0.000 0.944 119 G HN 1.076 nan 8.290 nan 0.000 0.568 120 I N 1.148 121.702 120.570 -0.026 0.000 2.618 120 I HA 0.320 4.490 4.170 -0.000 0.000 0.284 120 I C 0.596 176.721 176.117 0.013 0.000 1.146 120 I CA 0.487 61.770 61.300 -0.028 0.000 1.425 120 I CB 0.385 38.329 38.000 -0.093 0.000 1.383 120 I HN 0.327 nan 8.210 nan 0.000 0.562 121 I N 5.599 126.196 120.570 0.044 0.000 2.410 121 I HA 0.427 4.596 4.170 -0.000 0.000 0.286 121 I C 0.385 176.562 176.117 0.099 0.000 1.009 121 I CA -0.321 61.028 61.300 0.080 0.000 1.111 121 I CB 1.708 39.770 38.000 0.104 0.000 1.262 121 I HN 0.639 nan 8.210 nan 0.000 0.443 122 G N 7.459 116.329 108.800 0.116 0.000 2.415 122 G HA2 0.846 4.805 3.960 -0.000 0.000 0.327 122 G HA3 0.846 4.805 3.960 -0.000 0.000 0.327 122 G C -0.845 174.163 174.900 0.179 0.000 1.182 122 G CA -0.485 44.711 45.100 0.160 0.000 0.924 122 G HN 0.625 nan 8.290 nan 0.000 0.470 123 I N -0.631 120.045 120.570 0.177 0.000 2.752 123 I HA 0.549 4.719 4.170 -0.000 0.000 0.295 123 I C -1.061 175.163 176.117 0.178 0.000 1.219 123 I CA -1.157 60.278 61.300 0.225 0.000 1.030 123 I CB 2.476 40.662 38.000 0.311 0.000 1.259 123 I HN 0.239 nan 8.210 nan 0.000 0.423 124 I N 4.102 124.718 120.570 0.077 0.000 2.412 124 I HA 0.231 4.400 4.170 -0.000 0.000 0.296 124 I C -0.108 175.879 176.117 -0.217 0.000 0.987 124 I CA -0.445 60.763 61.300 -0.154 0.000 1.180 124 I CB 1.617 39.473 38.000 -0.240 0.000 1.340 124 I HN 0.733 nan 8.210 nan 0.000 0.455 125 D N 8.883 128.855 120.400 -0.714 0.000 2.399 125 D HA 0.048 4.687 4.640 -0.000 0.000 0.241 125 D C -1.792 174.254 176.300 -0.424 0.000 1.133 125 D CA -1.275 52.148 54.000 -0.961 0.000 0.890 125 D CB 1.747 41.717 40.800 -1.382 0.000 1.201 125 D HN 0.244 nan 8.370 nan 0.000 0.432 126 P HA -0.164 nan 4.420 nan 0.000 0.218 126 P C 0.512 177.696 177.300 -0.194 0.000 1.148 126 P CA 1.336 64.230 63.100 -0.344 0.000 0.822 126 P CB 0.154 31.482 31.700 -0.621 0.000 0.784 127 E N -1.705 118.385 120.200 -0.183 0.000 2.502 127 E HA 0.068 4.418 4.350 -0.000 0.000 0.194 127 E C 0.446 176.994 176.600 -0.086 0.000 1.062 127 E CA 0.010 56.348 56.400 -0.104 0.000 0.867 127 E CB -0.583 29.064 29.700 -0.088 0.000 0.888 127 E HN 0.086 nan 8.360 nan 0.000 0.510 128 C N 0.929 120.152 119.300 -0.129 0.000 4.397 128 C HA -0.157 4.303 4.460 -0.000 0.000 0.291 128 C C 1.757 176.670 174.990 -0.128 0.000 1.408 128 C CA 0.134 59.090 59.018 -0.103 0.000 1.971 128 C CB -1.733 26.033 27.740 0.043 0.000 1.258 128 C HN 0.470 nan 8.230 nan 0.000 0.795 129 R N -0.161 120.238 120.500 -0.168 0.000 2.189 129 R HA 0.073 4.412 4.340 -0.000 0.000 0.218 129 R C 0.808 177.024 176.300 -0.139 0.000 1.074 129 R CA 1.663 57.688 56.100 -0.125 0.000 0.991 129 R CB -0.034 30.203 30.300 -0.106 0.000 0.883 129 R HN 0.892 nan 8.270 nan 0.000 0.457 130 M N -2.461 116.998 119.600 -0.236 0.000 3.419 130 M HA 0.453 4.933 4.480 -0.000 0.000 0.287 130 M C -1.474 174.617 176.300 -0.348 0.000 1.333 130 M CA -0.813 54.349 55.300 -0.230 0.000 0.843 130 M CB 2.001 34.523 32.600 -0.130 0.000 1.686 130 M HN -0.287 nan 8.290 nan 0.000 0.491 131 I N 0.936 121.312 120.570 -0.322 0.000 2.478 131 I HA 0.638 4.808 4.170 -0.000 0.000 0.287 131 I C -0.257 175.726 176.117 -0.224 0.000 1.042 131 I CA -0.751 60.324 61.300 -0.375 0.000 1.067 131 I CB 2.117 39.721 38.000 -0.659 0.000 1.233 131 I HN 0.889 nan 8.210 nan 0.000 0.431 132 G N 6.453 115.249 108.800 -0.005 0.000 2.356 132 G HA2 0.711 4.671 3.960 -0.000 0.000 0.322 132 G HA3 0.711 4.671 3.960 -0.000 0.000 0.322 132 G C -1.217 173.581 174.900 -0.169 0.000 1.125 132 G CA -0.284 44.762 45.100 -0.090 0.000 0.885 132 G HN 0.272 nan 8.290 nan 0.000 0.467 133 L N 1.728 122.661 121.223 -0.483 0.000 2.410 133 L HA 0.525 4.864 4.340 -0.000 0.000 0.270 133 L C 0.005 176.765 176.870 -0.183 0.000 0.983 133 L CA -0.871 53.852 54.840 -0.195 0.000 0.822 133 L CB 2.224 44.205 42.059 -0.131 0.000 1.285 133 L HN 0.449 nan 8.230 nan 0.000 0.409 134 R N 3.424 123.954 120.500 0.051 0.000 2.666 134 R HA 0.265 4.605 4.340 -0.000 0.000 0.275 134 R C 0.007 176.327 176.300 0.034 0.000 1.266 134 R CA -0.415 55.751 56.100 0.109 0.000 1.401 134 R CB 0.362 30.771 30.300 0.181 0.000 1.145 134 R HN 0.514 nan 8.270 nan 0.000 0.581 135 L N 2.249 123.463 121.223 -0.015 0.000 2.068 135 L HA 0.096 4.436 4.340 -0.000 0.000 0.204 135 L C 0.463 177.137 176.870 -0.327 0.000 1.076 135 L CA 1.377 56.132 54.840 -0.142 0.000 0.753 135 L CB -0.996 40.931 42.059 -0.220 0.000 0.910 135 L HN 0.355 nan 8.230 nan 0.000 0.439 136 Y N -1.092 119.230 120.300 0.036 0.000 2.528 136 Y HA 0.324 4.873 4.550 -0.000 0.000 0.335 136 Y C 0.103 176.007 175.900 0.005 0.000 1.093 136 Y CA -1.456 56.644 58.100 0.001 0.000 1.134 136 Y CB 1.049 39.474 38.460 -0.058 0.000 1.253 136 Y HN -0.137 nan 8.280 nan 0.000 0.478 137 D N 0.608 121.120 120.400 0.186 0.000 2.336 137 D HA 0.380 5.020 4.640 -0.000 0.000 0.249 137 D C 0.750 177.097 176.300 0.079 0.000 1.213 137 D CA 1.550 55.607 54.000 0.095 0.000 0.870 137 D CB 0.325 41.163 40.800 0.064 0.000 1.076 137 D HN 0.771 nan 8.370 nan 0.000 0.483 138 G N 2.861 111.698 108.800 0.063 0.000 2.238 138 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 138 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 138 G C 0.086 174.986 174.900 -0.000 0.000 0.996 138 G CA 0.149 45.267 45.100 0.030 0.000 0.632 138 G HN 0.496 nan 8.290 nan 0.000 0.503 139 L N -0.477 120.762 121.223 0.027 0.000 2.319 139 L HA 0.882 5.222 4.340 -0.000 0.000 0.267 139 L C -0.547 176.368 176.870 0.075 0.000 1.011 139 L CA -1.393 53.443 54.840 -0.006 0.000 0.818 139 L CB 1.752 43.795 42.059 -0.027 0.000 1.316 139 L HN 0.033 nan 8.230 nan 0.000 0.432 140 F N 1.672 121.509 119.950 -0.188 0.000 2.493 140 F HA 0.524 5.051 4.527 -0.000 0.000 0.329 140 F C -0.199 175.488 175.800 -0.188 0.000 1.126 140 F CA -0.935 56.974 58.000 -0.152 0.000 0.937 140 F CB 1.537 40.467 39.000 -0.117 0.000 1.146 140 F HN 0.283 nan 8.300 nan 0.000 0.442 141 K N 4.547 124.562 120.400 -0.642 0.000 2.201 141 K HA 0.673 4.992 4.320 -0.000 0.000 0.278 141 K C -1.715 174.379 176.600 -0.843 0.000 1.027 141 K CA -0.384 55.555 56.287 -0.580 0.000 0.909 141 K CB 1.197 33.511 32.500 -0.311 0.000 1.062 141 K HN 0.450 nan 8.250 nan 0.000 0.465 142 V N 6.102 125.530 119.914 -0.810 0.000 2.448 142 V HA 0.444 4.564 4.120 -0.000 0.000 0.295 142 V C -0.180 175.620 176.094 -0.490 0.000 1.025 142 V CA -0.761 61.097 62.300 -0.735 0.000 0.859 142 V CB 1.484 32.696 31.823 -1.019 0.000 0.988 142 V HN 0.685 nan 8.190 nan 0.000 0.431 143 I N 6.517 126.904 120.570 -0.304 0.000 2.361 143 I HA 0.308 4.478 4.170 -0.000 0.000 0.282 143 I C -2.403 173.638 176.117 -0.126 0.000 1.075 143 I CA -1.890 59.300 61.300 -0.184 0.000 1.205 143 I CB 1.725 39.611 38.000 -0.191 0.000 1.406 143 I HN 0.414 nan 8.210 nan 0.000 0.481 144 P HA 0.066 nan 4.420 nan 0.000 0.264 144 P C -0.319 176.972 177.300 -0.015 0.000 1.229 144 P CA 0.043 63.171 63.100 0.048 0.000 0.780 144 P CB 0.286 32.085 31.700 0.164 0.000 0.808 145 L N 4.756 125.942 121.223 -0.061 0.000 2.385 145 L HA 0.157 4.497 4.340 -0.000 0.000 0.281 145 L C 0.621 177.479 176.870 -0.020 0.000 1.106 145 L CA 0.510 55.310 54.840 -0.067 0.000 0.856 145 L CB 0.050 42.037 42.059 -0.120 0.000 1.186 145 L HN 0.324 nan 8.230 nan 0.000 0.453 146 D N 2.146 122.545 120.400 -0.002 0.000 2.585 146 D HA 0.290 4.929 4.640 -0.000 0.000 0.254 146 D C 0.654 176.968 176.300 0.023 0.000 1.067 146 D CA -0.725 53.281 54.000 0.010 0.000 1.090 146 D CB 1.354 42.160 40.800 0.009 0.000 1.408 146 D HN 0.175 nan 8.370 nan 0.000 0.554 147 R N 0.260 120.773 120.500 0.021 0.000 2.119 147 R HA 0.009 4.349 4.340 -0.000 0.000 0.222 147 R C 0.142 176.457 176.300 0.025 0.000 1.088 147 R CA 1.030 57.146 56.100 0.026 0.000 0.984 147 R CB -0.349 29.962 30.300 0.019 0.000 0.884 147 R HN 0.510 nan 8.270 nan 0.000 0.447 148 D N -0.012 120.399 120.400 0.018 0.000 1.976 148 D HA -0.061 4.579 4.640 -0.000 0.000 0.285 148 D C 0.487 176.798 176.300 0.019 0.000 1.092 148 D CA -0.132 53.877 54.000 0.016 0.000 0.993 148 D CB -0.332 40.473 40.800 0.009 0.000 1.167 148 D HN -0.108 nan 8.370 nan 0.000 0.454 149 N N -0.704 118.003 118.700 0.011 0.000 2.707 149 N HA -0.209 4.531 4.740 -0.000 0.000 0.253 149 N C -0.088 175.429 175.510 0.013 0.000 0.998 149 N CA 0.271 53.326 53.050 0.007 0.000 0.751 149 N CB -0.559 37.933 38.487 0.007 0.000 0.920 149 N HN 0.282 nan 8.380 nan 0.000 0.539 150 K N -0.118 120.291 120.400 0.014 0.000 2.439 150 K HA -0.028 4.292 4.320 -0.000 0.000 0.197 150 K C 0.471 177.062 176.600 -0.014 0.000 1.041 150 K CA 0.975 57.280 56.287 0.030 0.000 0.970 150 K CB 0.148 32.673 32.500 0.041 0.000 0.773 150 K HN 0.464 nan 8.250 nan 0.000 0.479 151 E N 0.331 120.495 120.200 -0.060 0.000 2.558 151 E HA 0.156 4.506 4.350 -0.000 0.000 0.205 151 E C -0.519 176.027 176.600 -0.091 0.000 1.006 151 E CA -0.109 56.203 56.400 -0.147 0.000 0.961 151 E CB 0.333 29.947 29.700 -0.144 0.000 1.044 151 E HN 0.086 nan 8.360 nan 0.000 0.465 152 L N 1.363 122.564 121.223 -0.036 0.000 3.742 152 L HA -0.275 4.065 4.340 -0.000 0.000 0.431 152 L C -0.314 176.544 176.870 -0.020 0.000 1.220 152 L CA 0.416 55.247 54.840 -0.016 0.000 0.863 152 L CB -1.262 40.806 42.059 0.014 0.000 1.751 152 L HN 0.211 nan 8.230 nan 0.000 0.922 153 K N 1.031 121.422 120.400 -0.015 0.000 2.530 153 K HA 0.369 4.688 4.320 -0.000 0.000 0.280 153 K C 0.502 177.113 176.600 0.019 0.000 1.004 153 K CA 1.046 57.334 56.287 0.001 0.000 1.071 153 K CB 0.570 33.077 32.500 0.011 0.000 0.876 153 K HN 0.393 nan 8.250 nan 0.000 0.487 154 A N 3.789 126.619 122.820 0.016 0.000 2.398 154 A HA 0.608 4.928 4.320 -0.000 0.000 0.301 154 A C -0.671 176.929 177.584 0.028 0.000 1.041 154 A CA -0.996 51.031 52.037 -0.018 0.000 0.711 154 A CB 0.588 19.533 19.000 -0.093 0.000 1.240 154 A HN 0.574 nan 8.150 nan 0.000 0.420 155 F N 1.497 121.406 119.950 -0.070 0.000 2.399 155 F HA 0.712 5.239 4.527 -0.000 0.000 0.328 155 F C -0.086 175.658 175.800 -0.094 0.000 1.084 155 F CA -1.071 56.885 58.000 -0.073 0.000 1.053 155 F CB 1.048 40.012 39.000 -0.060 0.000 1.209 155 F HN 0.401 nan 8.300 nan 0.000 0.502 156 N N 2.306 120.981 118.700 -0.042 0.000 2.466 156 N HA 0.574 5.313 4.740 -0.000 0.000 0.294 156 N C -1.024 174.448 175.510 -0.063 0.000 1.129 156 N CA -0.415 52.546 53.050 -0.148 0.000 0.931 156 N CB 2.172 40.594 38.487 -0.108 0.000 1.193 156 N HN 0.635 nan 8.380 nan 0.000 0.500 157 I N 0.534 120.992 120.570 -0.186 0.000 2.569 157 I HA 0.361 4.530 4.170 -0.000 0.000 0.296 157 I C 0.668 176.556 176.117 -0.381 0.000 1.028 157 I CA -0.888 60.240 61.300 -0.286 0.000 1.082 157 I CB 2.335 40.022 38.000 -0.522 0.000 1.264 157 I HN 0.169 nan 8.210 nan 0.000 0.429 158 R N 4.833 125.127 120.500 -0.342 0.000 2.543 158 R HA 0.428 4.768 4.340 -0.000 0.000 0.277 158 R C -1.296 174.773 176.300 -0.385 0.000 1.074 158 R CA -0.209 55.727 56.100 -0.273 0.000 1.076 158 R CB 0.714 30.911 30.300 -0.172 0.000 0.993 158 R HN 0.597 nan 8.270 nan 0.000 0.459 159 L N 3.238 124.326 121.223 -0.224 0.000 2.333 159 L HA 0.171 4.511 4.340 -0.000 0.000 0.280 159 L C 0.915 177.759 176.870 -0.044 0.000 1.004 159 L CA -0.281 54.471 54.840 -0.146 0.000 0.820 159 L CB 1.793 43.803 42.059 -0.081 0.000 1.247 159 L HN 0.728 nan 8.230 nan 0.000 0.416 160 E N 2.035 122.243 120.200 0.015 0.000 2.268 160 E HA -0.115 4.234 4.350 -0.000 0.000 0.195 160 E C -0.373 176.227 176.600 0.001 0.000 0.995 160 E CA 1.103 57.518 56.400 0.025 0.000 0.836 160 E CB 0.303 30.044 29.700 0.068 0.000 0.763 160 E HN 0.480 nan 8.360 nan 0.000 0.491 161 E N -0.423 119.783 120.200 0.011 0.000 2.113 161 E HA 0.289 4.639 4.350 -0.000 0.000 0.273 161 E C -0.879 175.772 176.600 0.085 0.000 0.924 161 E CA -0.131 56.258 56.400 -0.018 0.000 0.764 161 E CB 1.300 30.885 29.700 -0.191 0.000 1.104 161 E HN 0.135 nan 8.360 nan 0.000 0.406 162 L N 2.990 124.278 121.223 0.107 0.000 2.956 162 L HA 0.459 4.799 4.340 -0.000 0.000 0.232 162 L C -0.067 176.934 176.870 0.217 0.000 1.291 162 L CA -0.327 54.588 54.840 0.126 0.000 1.122 162 L CB -0.192 41.921 42.059 0.090 0.000 1.461 162 L HN 0.470 nan 8.230 nan 0.000 0.470 163 H N 0.139 119.302 119.070 0.156 0.000 3.810 163 H HA 0.246 4.801 4.556 -0.000 0.000 0.514 163 H C -1.693 173.779 175.328 0.240 0.000 1.749 163 H CA -0.225 55.926 56.048 0.171 0.000 1.609 163 H CB 0.935 30.792 29.762 0.158 0.000 2.648 163 H HN 0.055 nan 8.280 nan 0.000 0.679 164 V N 4.957 125.045 119.914 0.290 0.000 2.617 164 V HA 0.238 4.357 4.120 -0.000 0.000 0.298 164 V C 1.009 177.254 176.094 0.253 0.000 1.048 164 V CA -0.379 62.130 62.300 0.347 0.000 0.964 164 V CB 1.774 33.762 31.823 0.274 0.000 1.004 164 V HN 0.478 nan 8.190 nan 0.000 0.466 165 I N 0.954 121.679 120.570 0.259 0.000 3.194 165 I HA 0.330 4.499 4.170 -0.000 0.000 0.271 165 I C 0.345 176.548 176.117 0.144 0.000 1.150 165 I CA 0.957 62.368 61.300 0.186 0.000 1.440 165 I CB 0.290 38.389 38.000 0.165 0.000 1.276 165 I HN 0.645 nan 8.210 nan 0.000 0.457 166 D N -0.791 119.702 120.400 0.155 0.000 2.736 166 D HA 0.590 5.230 4.640 -0.000 0.000 0.223 166 D C -1.488 174.904 176.300 0.154 0.000 1.231 166 D CA -0.116 53.965 54.000 0.135 0.000 0.818 166 D CB 2.646 43.512 40.800 0.109 0.000 1.587 166 D HN -0.244 nan 8.370 nan 0.000 0.463 167 V N 2.384 122.371 119.914 0.122 0.000 2.808 167 V HA 0.625 4.745 4.120 -0.000 0.000 0.308 167 V C -0.219 175.909 176.094 0.057 0.000 1.099 167 V CA -0.889 61.458 62.300 0.077 0.000 0.920 167 V CB 2.113 33.932 31.823 -0.007 0.000 1.014 167 V HN 0.384 nan 8.190 nan 0.000 0.425 168 K N 1.949 122.360 120.400 0.019 0.000 2.409 168 K HA 0.685 5.004 4.320 -0.000 0.000 0.252 168 K C -1.429 175.137 176.600 -0.058 0.000 1.036 168 K CA -0.662 55.663 56.287 0.064 0.000 0.871 168 K CB 2.739 35.327 32.500 0.146 0.000 1.374 168 K HN 0.473 nan 8.250 nan 0.000 0.459 169 F N 0.825 120.828 119.950 0.089 0.000 2.397 169 F HA 0.412 4.939 4.527 -0.000 0.000 0.331 169 F C 0.319 176.167 175.800 0.081 0.000 1.090 169 F CA -0.780 57.248 58.000 0.046 0.000 1.065 169 F CB 0.984 39.984 39.000 0.002 0.000 1.184 169 F HN 0.062 nan 8.300 nan 0.000 0.499 170 L N 3.131 124.521 121.223 0.278 0.000 2.317 170 L HA 0.377 4.717 4.340 -0.000 0.000 0.281 170 L C -0.879 176.156 176.870 0.276 0.000 1.024 170 L CA -0.925 54.090 54.840 0.291 0.000 0.810 170 L CB 0.792 42.988 42.059 0.228 0.000 1.240 170 L HN 0.442 nan 8.230 nan 0.000 0.427 171 Y N 0.945 121.368 120.300 0.204 0.000 2.379 171 Y HA 0.345 4.895 4.550 -0.000 0.000 0.337 171 Y C 1.386 177.391 175.900 0.175 0.000 1.238 171 Y CA 0.625 58.831 58.100 0.177 0.000 1.405 171 Y CB 0.889 39.457 38.460 0.180 0.000 1.310 171 Y HN 0.791 nan 8.280 nan 0.000 0.569 172 G N 0.389 109.355 108.800 0.277 0.000 2.160 172 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.251 172 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.251 172 G C -0.528 174.480 174.900 0.181 0.000 1.008 172 G CA -0.150 45.078 45.100 0.213 0.000 0.724 172 G HN 0.685 nan 8.290 nan 0.000 0.514 173 C N 0.917 120.306 119.300 0.149 0.000 2.355 173 C HA 0.533 4.993 4.460 -0.000 0.000 0.332 173 C C 1.812 176.847 174.990 0.075 0.000 1.255 173 C CA -0.759 58.324 59.018 0.108 0.000 1.792 173 C CB 1.598 29.381 27.740 0.073 0.000 2.300 173 C HN 0.571 nan 8.230 nan 0.000 0.515 174 Q N 1.931 121.769 119.800 0.064 0.000 1.978 174 Q HA -0.173 4.167 4.340 -0.000 0.000 0.211 174 Q C 1.309 177.335 176.000 0.043 0.000 1.013 174 Q CA 1.994 57.828 55.803 0.051 0.000 0.869 174 Q CB -0.857 27.908 28.738 0.045 0.000 0.953 174 Q HN 0.913 nan 8.270 nan 0.000 0.415 175 A N 1.941 124.786 122.820 0.043 0.000 2.250 175 A HA 0.365 4.685 4.320 -0.000 0.000 0.283 175 A C -2.170 175.452 177.584 0.064 0.000 1.206 175 A CA -1.213 50.854 52.037 0.050 0.000 0.840 175 A CB -0.663 18.371 19.000 0.056 0.000 1.220 175 A HN 0.049 nan 8.150 nan 0.000 0.505 176 P HA 0.302 nan 4.420 nan 0.000 0.271 176 P C -0.829 176.618 177.300 0.245 0.000 1.226 176 P CA 0.456 63.648 63.100 0.153 0.000 0.765 176 P CB 0.831 32.614 31.700 0.138 0.000 0.835 177 T N 4.113 118.840 114.554 0.289 0.000 2.841 177 T HA 0.572 4.922 4.350 -0.000 0.000 0.285 177 T C 0.337 175.006 174.700 -0.052 0.000 0.991 177 T CA -0.525 61.619 62.100 0.072 0.000 0.966 177 T CB 0.501 69.334 68.868 -0.058 0.000 0.962 177 T HN 0.262 nan 8.240 nan 0.000 0.438 178 I N -0.406 119.959 120.570 -0.343 0.000 2.677 178 I HA 0.871 5.040 4.170 -0.000 0.000 0.305 178 I C -0.281 175.692 176.117 -0.240 0.000 0.988 178 I CA -0.728 60.249 61.300 -0.537 0.000 1.260 178 I CB 1.290 38.797 38.000 -0.821 0.000 1.410 178 I HN 0.666 nan 8.210 nan 0.000 0.523 179 C N 6.049 125.279 119.300 -0.117 0.000 2.551 179 C HA 0.828 5.287 4.460 -0.000 0.000 0.332 179 C C -0.789 174.308 174.990 0.177 0.000 1.139 179 C CA -0.624 58.415 59.018 0.035 0.000 1.328 179 C CB 0.514 28.257 27.740 0.005 0.000 1.903 179 C HN 0.865 nan 8.230 nan 0.000 0.459 180 F N 3.601 123.492 119.950 -0.098 0.000 2.645 180 F HA 0.815 5.342 4.527 -0.000 0.000 0.310 180 F C -1.488 174.302 175.800 -0.016 0.000 1.102 180 F CA -1.072 56.907 58.000 -0.034 0.000 0.952 180 F CB 1.241 40.238 39.000 -0.005 0.000 1.326 180 F HN 0.259 nan 8.300 nan 0.000 0.456 181 V N 3.461 123.400 119.914 0.042 0.000 2.328 181 V HA 0.335 4.455 4.120 -0.000 0.000 0.278 181 V C -0.662 175.484 176.094 0.088 0.000 1.021 181 V CA -0.653 61.587 62.300 -0.101 0.000 0.838 181 V CB 0.302 32.091 31.823 -0.057 0.000 0.999 181 V HN 0.793 nan 8.190 nan 0.000 0.447 182 Y N 2.714 123.028 120.300 0.022 0.000 2.618 182 Y HA 0.830 5.380 4.550 -0.000 0.000 0.326 182 Y C -0.144 175.817 175.900 0.102 0.000 1.168 182 Y CA -1.399 56.804 58.100 0.171 0.000 1.269 182 Y CB 1.122 39.738 38.460 0.260 0.000 1.388 182 Y HN 0.467 nan 8.280 nan 0.000 0.528 183 Q N 0.588 120.616 119.800 0.380 0.000 2.413 183 Q HA 0.471 4.811 4.340 -0.000 0.000 0.276 183 Q C -1.854 174.300 176.000 0.258 0.000 1.099 183 Q CA -0.888 54.995 55.803 0.134 0.000 0.814 183 Q CB 2.596 31.188 28.738 -0.245 0.000 1.379 183 Q HN 0.947 nan 8.270 nan 0.000 0.436 184 D N -0.243 120.267 120.400 0.184 0.000 2.713 184 D HA 0.222 4.861 4.640 -0.000 0.000 0.306 184 D C -2.352 174.013 176.300 0.108 0.000 1.299 184 D CA -1.014 53.089 54.000 0.172 0.000 0.823 184 D CB 0.357 41.306 40.800 0.248 0.000 1.353 184 D HN 0.187 nan 8.370 nan 0.000 0.447 185 P HA -0.130 nan 4.420 nan 0.000 0.223 185 P C 0.709 178.050 177.300 0.069 0.000 1.144 185 P CA 1.275 64.411 63.100 0.061 0.000 0.783 185 P CB 0.288 32.020 31.700 0.053 0.000 0.771 186 Q N -0.634 119.242 119.800 0.126 0.000 2.331 186 Q HA 0.296 4.636 4.340 -0.000 0.000 0.203 186 Q C 1.342 177.379 176.000 0.062 0.000 0.944 186 Q CA 1.025 56.910 55.803 0.137 0.000 0.892 186 Q CB -0.027 28.851 28.738 0.233 0.000 0.983 186 Q HN 0.341 nan 8.270 nan 0.000 0.482 187 G N -0.409 108.402 108.800 0.017 0.000 2.255 187 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 187 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 187 G C -1.320 173.355 174.900 -0.375 0.000 1.307 187 G CA -1.069 43.929 45.100 -0.170 0.000 1.162 187 G HN -0.004 nan 8.290 nan 0.000 0.494 188 R N 0.415 120.605 120.500 -0.517 0.000 2.368 188 R HA 0.653 4.993 4.340 -0.000 0.000 0.302 188 R C -0.683 175.071 176.300 -0.909 0.000 1.002 188 R CA -0.362 55.406 56.100 -0.553 0.000 0.929 188 R CB 0.929 31.042 30.300 -0.311 0.000 1.073 188 R HN 0.692 nan 8.270 nan 0.000 0.464 189 H N -0.683 118.028 119.070 -0.598 0.000 2.946 189 H HA 0.392 4.947 4.556 -0.000 0.000 0.365 189 H C -1.228 173.604 175.328 -0.827 0.000 1.197 189 H CA -0.793 54.832 56.048 -0.704 0.000 1.131 189 H CB 2.015 31.308 29.762 -0.781 0.000 1.849 189 H HN 0.225 nan 8.280 nan 0.000 0.555 190 V N 1.258 120.897 119.914 -0.458 0.000 2.581 190 V HA 0.679 4.799 4.120 -0.000 0.000 0.303 190 V C -0.967 174.880 176.094 -0.412 0.000 1.041 190 V CA -0.436 61.578 62.300 -0.477 0.000 0.907 190 V CB 1.416 32.963 31.823 -0.459 0.000 0.994 190 V HN 0.823 nan 8.190 nan 0.000 0.442 191 K N 3.254 123.321 120.400 -0.556 0.000 2.551 191 K HA 0.768 5.087 4.320 -0.000 0.000 0.269 191 K C -1.058 175.256 176.600 -0.476 0.000 0.949 191 K CA -0.071 55.904 56.287 -0.521 0.000 0.849 191 K CB 2.407 34.574 32.500 -0.555 0.000 1.411 191 K HN 0.897 nan 8.250 nan 0.000 0.432 192 T N -0.428 113.851 114.554 -0.458 0.000 2.876 192 T HA 0.567 4.917 4.350 -0.000 0.000 0.289 192 T C -1.151 173.235 174.700 -0.523 0.000 1.014 192 T CA -0.613 61.227 62.100 -0.433 0.000 0.986 192 T CB 0.622 69.084 68.868 -0.677 0.000 1.021 192 T HN 0.387 nan 8.240 nan 0.000 0.458 193 Y N 0.361 120.464 120.300 -0.329 0.000 2.376 193 Y HA 0.426 4.976 4.550 -0.000 0.000 0.340 193 Y C 0.519 176.182 175.900 -0.396 0.000 0.965 193 Y CA -1.023 56.805 58.100 -0.452 0.000 1.078 193 Y CB 1.973 39.851 38.460 -0.971 0.000 1.193 193 Y HN 0.670 nan 8.280 nan 0.000 0.452 194 E N 2.618 122.767 120.200 -0.085 0.000 2.223 194 E HA 0.255 4.604 4.350 -0.000 0.000 0.282 194 E C -1.010 175.607 176.600 0.029 0.000 1.046 194 E CA -0.393 55.988 56.400 -0.033 0.000 0.857 194 E CB 1.195 30.891 29.700 -0.007 0.000 1.055 194 E HN 0.293 nan 8.360 nan 0.000 0.409 195 V N 3.799 123.765 119.914 0.087 0.000 2.270 195 V HA 0.042 4.162 4.120 -0.000 0.000 0.263 195 V C 0.266 176.492 176.094 0.220 0.000 1.066 195 V CA -0.385 62.044 62.300 0.214 0.000 0.857 195 V CB 0.684 32.702 31.823 0.324 0.000 1.099 195 V HN 0.543 nan 8.190 nan 0.000 0.476 196 S N 5.439 121.253 115.700 0.190 0.000 2.474 196 S HA 0.347 4.816 4.470 -0.000 0.000 0.276 196 S C 0.980 175.680 174.600 0.167 0.000 1.227 196 S CA -0.664 57.622 58.200 0.143 0.000 1.050 196 S CB 0.666 63.924 63.200 0.097 0.000 0.939 196 S HN 0.686 nan 8.310 nan 0.000 0.490 197 L N 3.497 124.804 121.223 0.139 0.000 2.585 197 L HA 0.403 4.743 4.340 -0.000 0.000 0.226 197 L C 2.145 178.974 176.870 -0.069 0.000 1.113 197 L CA -0.049 54.861 54.840 0.116 0.000 0.876 197 L CB -0.328 41.860 42.059 0.213 0.000 1.072 197 L HN 0.654 nan 8.230 nan 0.000 0.468 198 R N 1.157 121.639 120.500 -0.030 0.000 2.062 198 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 198 R C 1.695 177.939 176.300 -0.094 0.000 1.136 198 R CA 1.824 57.888 56.100 -0.060 0.000 0.948 198 R CB 0.054 30.340 30.300 -0.022 0.000 0.845 198 R HN 0.387 nan 8.270 nan 0.000 0.430 199 E N 0.731 120.896 120.200 -0.058 0.000 2.479 199 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 199 E C -0.241 176.307 176.600 -0.087 0.000 1.049 199 E CA 0.091 56.456 56.400 -0.058 0.000 0.870 199 E CB 0.472 30.165 29.700 -0.010 0.000 0.944 199 E HN 0.319 nan 8.360 nan 0.000 0.492 200 K N 1.260 121.573 120.400 -0.145 0.000 3.035 200 K HA -0.211 4.109 4.320 -0.000 0.000 0.262 200 K C -0.069 176.577 176.600 0.077 0.000 1.024 200 K CA 0.816 57.015 56.287 -0.147 0.000 0.748 200 K CB -1.328 30.934 32.500 -0.398 0.000 1.247 200 K HN 0.321 nan 8.250 nan 0.000 0.482 201 E N -0.817 119.453 120.200 0.116 0.000 2.303 201 E HA 0.396 4.746 4.350 -0.000 0.000 0.254 201 E C 0.325 177.104 176.600 0.299 0.000 0.979 201 E CA -0.806 55.673 56.400 0.132 0.000 0.843 201 E CB 0.585 30.342 29.700 0.096 0.000 1.245 201 E HN 0.124 nan 8.360 nan 0.000 0.413 202 F N 0.001 119.948 119.950 -0.004 0.000 2.724 202 F HA 0.091 4.618 4.527 -0.000 0.000 0.306 202 F C 0.721 176.585 175.800 0.106 0.000 1.100 202 F CA -0.219 57.749 58.000 -0.054 0.000 1.255 202 F CB 0.484 39.254 39.000 -0.383 0.000 1.072 202 F HN 0.600 nan 8.300 nan 0.000 0.589 203 N N 0.984 119.835 118.700 0.251 0.000 1.147 203 N HA -0.365 4.374 4.740 -0.000 0.000 0.110 203 N C -0.197 175.435 175.510 0.204 0.000 0.748 203 N CA 1.659 54.815 53.050 0.176 0.000 0.836 203 N CB -0.469 38.085 38.487 0.112 0.000 1.055 203 N HN 0.081 nan 8.380 nan 0.000 0.639 204 K N -0.202 120.254 120.400 0.093 0.000 2.501 204 K HA 0.472 4.792 4.320 -0.000 0.000 0.252 204 K C -0.573 175.970 176.600 -0.094 0.000 0.934 204 K CA -0.169 56.118 56.287 -0.000 0.000 0.797 204 K CB 1.679 34.171 32.500 -0.013 0.000 1.270 204 K HN 0.533 nan 8.250 nan 0.000 0.431 205 G N 2.465 111.127 108.800 -0.229 0.000 2.667 205 G HA2 0.150 4.110 3.960 -0.000 0.000 0.250 205 G HA3 0.150 4.110 3.960 -0.000 0.000 0.250 205 G C -1.813 172.905 174.900 -0.303 0.000 1.212 205 G CA -1.043 43.864 45.100 -0.321 0.000 0.874 205 G HN 0.449 nan 8.290 nan 0.000 0.561 206 P HA 0.077 nan 4.420 nan 0.000 0.230 206 P C -0.633 176.691 177.300 0.039 0.000 1.158 206 P CA 0.784 63.767 63.100 -0.196 0.000 0.769 206 P CB 0.058 31.627 31.700 -0.218 0.000 0.807 207 W N -2.209 119.067 121.300 -0.039 0.000 3.217 207 W HA 0.516 5.175 4.660 -0.000 0.000 0.323 207 W C -0.978 175.502 176.519 -0.065 0.000 1.216 207 W CA -1.458 55.864 57.345 -0.037 0.000 1.194 207 W CB 0.589 30.039 29.460 -0.017 0.000 1.397 207 W HN -0.485 nan 8.180 nan 0.000 0.537 208 K N 2.412 122.929 120.400 0.194 0.000 2.485 208 K HA -0.089 4.231 4.320 -0.000 0.000 0.277 208 K C 0.539 177.179 176.600 0.066 0.000 0.990 208 K CA -0.132 56.199 56.287 0.073 0.000 0.994 208 K CB 0.643 33.179 32.500 0.061 0.000 0.906 208 K HN 0.633 nan 8.250 nan 0.000 0.488 209 Q N 3.717 123.502 119.800 -0.025 0.000 2.239 209 Q HA -0.125 4.215 4.340 -0.000 0.000 0.286 209 Q C -0.452 175.540 176.000 -0.013 0.000 1.102 209 Q CA 0.618 56.390 55.803 -0.053 0.000 0.936 209 Q CB 0.550 29.245 28.738 -0.070 0.000 1.127 209 Q HN 0.411 nan 8.270 nan 0.000 0.380 210 E N 3.388 123.577 120.200 -0.018 0.000 3.232 210 E HA 0.420 4.770 4.350 -0.000 0.000 0.248 210 E C -0.473 176.124 176.600 -0.006 0.000 1.048 210 E CA -0.765 55.646 56.400 0.017 0.000 1.204 210 E CB 0.559 30.332 29.700 0.122 0.000 1.535 210 E HN 0.637 nan 8.360 nan 0.000 0.567 211 N N 0.533 119.242 118.700 0.015 0.000 2.410 211 N HA 0.293 5.033 4.740 -0.000 0.000 0.287 211 N C -0.492 175.002 175.510 -0.025 0.000 1.044 211 N CA -0.204 52.831 53.050 -0.025 0.000 0.881 211 N CB 2.459 40.942 38.487 -0.006 0.000 1.405 211 N HN 0.179 nan 8.380 nan 0.000 0.490 212 V N -0.909 118.925 119.914 -0.134 0.000 3.193 212 V HA 0.572 4.692 4.120 -0.000 0.000 0.320 212 V C 0.505 176.530 176.094 -0.115 0.000 1.112 212 V CA -0.939 61.313 62.300 -0.079 0.000 1.026 212 V CB 1.480 33.225 31.823 -0.130 0.000 1.128 212 V HN 0.705 nan 8.190 nan 0.000 0.452 213 E N 1.229 121.387 120.200 -0.070 0.000 2.392 213 E HA 0.487 4.836 4.350 -0.000 0.000 0.256 213 E C 0.557 177.096 176.600 -0.102 0.000 1.145 213 E CA -0.159 56.198 56.400 -0.073 0.000 0.929 213 E CB 1.313 30.988 29.700 -0.041 0.000 0.998 213 E HN 1.045 nan 8.360 nan 0.000 0.442 214 A N 2.187 124.953 122.820 -0.090 0.000 2.324 214 A HA -0.004 4.315 4.320 -0.000 0.000 0.240 214 A C 0.463 178.009 177.584 -0.063 0.000 1.347 214 A CA 0.066 52.049 52.037 -0.090 0.000 1.036 214 A CB -0.393 18.562 19.000 -0.075 0.000 0.917 214 A HN 0.620 nan 8.150 nan 0.000 0.519 215 E N -1.303 118.862 120.200 -0.057 0.000 2.722 215 E HA 0.162 4.512 4.350 -0.000 0.000 0.179 215 E C 0.019 176.600 176.600 -0.032 0.000 0.918 215 E CA 0.244 56.623 56.400 -0.036 0.000 1.334 215 E CB 0.256 29.938 29.700 -0.030 0.000 1.064 215 E HN 0.503 nan 8.360 nan 0.000 0.513 216 A N 1.418 124.209 122.820 -0.048 0.000 2.520 216 A HA 0.283 4.603 4.320 -0.000 0.000 0.245 216 A C 1.046 178.620 177.584 -0.016 0.000 1.072 216 A CA 0.896 52.907 52.037 -0.043 0.000 0.761 216 A CB 0.092 19.049 19.000 -0.071 0.000 1.004 216 A HN 0.145 nan 8.150 nan 0.000 0.499 217 S N 1.082 116.782 115.700 -0.001 0.000 2.998 217 S HA 0.440 4.910 4.470 -0.000 0.000 0.256 217 S C -0.107 174.519 174.600 0.043 0.000 0.970 217 S CA -0.317 57.901 58.200 0.030 0.000 1.238 217 S CB -0.147 63.073 63.200 0.035 0.000 1.170 217 S HN 0.635 nan 8.310 nan 0.000 0.663 218 M N 1.829 121.442 119.600 0.021 0.000 2.325 218 M HA 0.387 4.867 4.480 -0.000 0.000 0.285 218 M C -1.871 174.419 176.300 -0.017 0.000 1.119 218 M CA -0.286 55.029 55.300 0.025 0.000 0.959 218 M CB 2.583 35.195 32.600 0.019 0.000 1.737 218 M HN -0.042 nan 8.290 nan 0.000 0.486 219 V N 4.621 124.537 119.914 0.003 0.000 2.370 219 V HA 0.528 4.648 4.120 -0.000 0.000 0.283 219 V C -0.263 175.796 176.094 -0.058 0.000 1.023 219 V CA -0.412 61.876 62.300 -0.019 0.000 0.857 219 V CB 1.767 33.608 31.823 0.030 0.000 0.985 219 V HN 0.689 nan 8.190 nan 0.000 0.443 220 I N 4.466 124.951 120.570 -0.141 0.000 2.355 220 I HA 0.605 4.775 4.170 -0.000 0.000 0.288 220 I C 0.645 176.736 176.117 -0.044 0.000 0.999 220 I CA -0.340 60.843 61.300 -0.195 0.000 1.163 220 I CB 1.650 39.367 38.000 -0.471 0.000 1.316 220 I HN 0.686 nan 8.210 nan 0.000 0.454 221 A N 6.733 129.614 122.820 0.102 0.000 2.322 221 A HA 0.739 5.059 4.320 -0.000 0.000 0.269 221 A C -0.299 177.407 177.584 0.204 0.000 1.094 221 A CA -0.321 51.843 52.037 0.212 0.000 0.807 221 A CB 0.675 19.889 19.000 0.358 0.000 1.047 221 A HN 0.497 nan 8.150 nan 0.000 0.487 222 V N 1.812 121.835 119.914 0.181 0.000 2.735 222 V HA 0.530 4.649 4.120 -0.000 0.000 0.310 222 V C -2.210 173.775 176.094 -0.182 0.000 1.061 222 V CA -1.608 60.737 62.300 0.075 0.000 0.913 222 V CB 1.674 33.581 31.823 0.141 0.000 1.005 222 V HN 0.901 nan 8.190 nan 0.000 0.428 223 P HA 0.231 nan 4.420 nan 0.000 0.307 223 P C 0.594 177.793 177.300 -0.168 0.000 1.306 223 P CA -0.021 62.556 63.100 -0.871 0.000 0.742 223 P CB 1.103 32.518 31.700 -0.476 0.000 1.349 224 E N -0.314 119.865 120.200 -0.036 0.000 2.118 224 E HA -0.128 4.222 4.350 -0.000 0.000 0.195 224 E C -0.457 176.150 176.600 0.012 0.000 0.992 224 E CA 1.937 58.394 56.400 0.094 0.000 0.804 224 E CB -2.074 27.699 29.700 0.122 0.000 0.741 224 E HN 0.437 nan 8.360 nan 0.000 0.458 225 P HA -0.053 nan 4.420 nan 0.000 0.219 225 P C 0.950 177.985 177.300 -0.441 0.000 1.150 225 P CA 1.062 63.952 63.100 -0.350 0.000 0.814 225 P CB -0.035 31.288 31.700 -0.628 0.000 0.787 226 F N -0.898 119.074 119.950 0.036 0.000 2.484 226 F HA 0.454 4.980 4.527 -0.000 0.000 0.268 226 F C 1.456 177.322 175.800 0.111 0.000 0.965 226 F CA 0.818 58.859 58.000 0.068 0.000 1.119 226 F CB -0.932 38.111 39.000 0.072 0.000 1.153 226 F HN -0.108 nan 8.300 nan 0.000 0.689 227 G N 0.085 109.092 108.800 0.345 0.000 2.757 227 G HA2 0.387 4.346 3.960 -0.000 0.000 0.686 227 G HA3 0.387 4.346 3.960 -0.000 0.000 0.686 227 G C -0.146 174.898 174.900 0.240 0.000 1.452 227 G CA -0.387 44.886 45.100 0.288 0.000 0.922 227 G HN 1.445 nan 8.290 nan 0.000 0.588 228 G N -0.928 107.983 108.800 0.185 0.000 2.343 228 G HA2 0.620 4.579 3.960 -0.000 0.000 0.465 228 G HA3 0.620 4.579 3.960 -0.000 0.000 0.465 228 G C -0.299 174.588 174.900 -0.022 0.000 1.282 228 G CA 0.739 45.794 45.100 -0.074 0.000 0.996 228 G HN 2.836 nan 8.290 nan 0.000 0.521 229 A N -0.298 122.405 122.820 -0.195 0.000 2.332 229 A HA 0.775 5.095 4.320 -0.000 0.000 0.300 229 A C -0.238 177.255 177.584 -0.151 0.000 1.153 229 A CA -0.468 51.528 52.037 -0.068 0.000 0.764 229 A CB 0.798 19.831 19.000 0.056 0.000 1.174 229 A HN 1.065 nan 8.150 nan 0.000 0.467 230 I N 2.910 123.419 120.570 -0.101 0.000 2.352 230 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 230 I C -0.743 175.310 176.117 -0.108 0.000 1.036 230 I CA -0.096 61.146 61.300 -0.098 0.000 1.336 230 I CB 1.008 38.898 38.000 -0.184 0.000 1.407 230 I HN 0.493 nan 8.210 nan 0.000 0.497 231 I N 8.012 128.543 120.570 -0.066 0.000 2.378 231 I HA 0.383 4.553 4.170 -0.000 0.000 0.291 231 I C -0.314 175.762 176.117 -0.069 0.000 0.992 231 I CA -0.063 61.203 61.300 -0.057 0.000 1.154 231 I CB 1.406 39.394 38.000 -0.022 0.000 1.315 231 I HN 0.317 nan 8.210 nan 0.000 0.448 232 I N 5.461 125.988 120.570 -0.072 0.000 2.406 232 I HA 0.684 4.854 4.170 -0.000 0.000 0.290 232 I C 0.632 176.719 176.117 -0.049 0.000 0.999 232 I CA -0.199 61.059 61.300 -0.071 0.000 1.124 232 I CB 1.524 39.480 38.000 -0.075 0.000 1.289 232 I HN 0.669 nan 8.210 nan 0.000 0.441 233 G N 4.231 112.999 108.800 -0.053 0.000 3.175 233 G HA2 0.396 4.356 3.960 -0.000 0.000 0.153 233 G HA3 0.396 4.356 3.960 -0.000 0.000 0.153 233 G C -0.766 174.106 174.900 -0.048 0.000 1.216 233 G CA -0.258 44.816 45.100 -0.043 0.000 0.943 233 G HN 0.417 nan 8.290 nan 0.000 0.611 234 Q N 0.363 120.137 119.800 -0.044 0.000 2.227 234 Q HA 0.288 4.628 4.340 -0.000 0.000 0.245 234 Q C 0.255 176.219 176.000 -0.059 0.000 0.926 234 Q CA 0.172 55.946 55.803 -0.049 0.000 0.895 234 Q CB 1.523 30.240 28.738 -0.035 0.000 1.230 234 Q HN 0.814 nan 8.270 nan 0.000 0.450 235 E N -1.044 119.114 120.200 -0.070 0.000 2.808 235 E HA -0.254 4.095 4.350 -0.000 0.000 0.263 235 E C -0.643 175.915 176.600 -0.071 0.000 1.151 235 E CA 1.371 57.730 56.400 -0.070 0.000 0.750 235 E CB -1.545 28.125 29.700 -0.048 0.000 1.357 235 E HN 0.326 nan 8.360 nan 0.000 0.439 236 S N -0.928 114.724 115.700 -0.079 0.000 2.543 236 S HA 0.701 5.171 4.470 -0.000 0.000 0.274 236 S C -1.382 173.164 174.600 -0.089 0.000 1.149 236 S CA -0.828 57.328 58.200 -0.074 0.000 0.866 236 S CB 1.091 64.263 63.200 -0.046 0.000 1.111 236 S HN 0.389 nan 8.310 nan 0.000 0.457 237 I N 3.269 123.779 120.570 -0.100 0.000 2.499 237 I HA 0.461 4.630 4.170 -0.000 0.000 0.288 237 I C -0.190 175.847 176.117 -0.133 0.000 1.048 237 I CA -0.485 60.747 61.300 -0.114 0.000 1.062 237 I CB 2.574 40.494 38.000 -0.134 0.000 1.238 237 I HN 0.854 nan 8.210 nan 0.000 0.426 238 T N 2.089 116.567 114.554 -0.126 0.000 2.912 238 T HA 0.551 4.900 4.350 -0.000 0.000 0.288 238 T C -1.096 173.506 174.700 -0.163 0.000 1.030 238 T CA -0.746 61.224 62.100 -0.216 0.000 1.020 238 T CB 1.973 70.756 68.868 -0.141 0.000 1.056 238 T HN 0.402 nan 8.240 nan 0.000 0.480 239 Y N 1.889 121.912 120.300 -0.463 0.000 2.331 239 Y HA 0.478 5.028 4.550 -0.000 0.000 0.334 239 Y C -0.623 175.009 175.900 -0.447 0.000 0.960 239 Y CA -0.871 57.019 58.100 -0.350 0.000 1.130 239 Y CB 1.132 39.396 38.460 -0.327 0.000 1.164 239 Y HN 0.799 nan 8.280 nan 0.000 0.458 240 H N 5.262 123.910 119.070 -0.703 0.000 2.492 240 H HA 0.446 5.002 4.556 -0.000 0.000 0.345 240 H C -0.817 174.019 175.328 -0.820 0.000 1.136 240 H CA -0.654 55.071 56.048 -0.538 0.000 1.202 240 H CB 2.139 31.766 29.762 -0.226 0.000 1.524 240 H HN 0.689 nan 8.280 nan 0.000 0.506 241 N N -0.433 117.837 118.700 -0.716 0.000 3.106 241 N HA 0.087 4.826 4.740 -0.000 0.000 0.253 241 N C 1.221 176.036 175.510 -1.157 0.000 1.506 241 N CA 0.226 52.587 53.050 -1.148 0.000 0.876 241 N CB 1.452 39.540 38.487 -0.665 0.000 1.452 241 N HN 0.742 nan 8.380 nan 0.000 0.542 242 G N 0.649 108.768 108.800 -1.134 0.000 2.863 242 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.248 242 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.248 242 G C 0.399 175.188 174.900 -0.185 0.000 1.155 242 G CA 2.108 46.973 45.100 -0.390 0.000 0.752 242 G HN 0.689 nan 8.290 nan 0.000 0.666 243 D N -1.843 118.469 120.400 -0.147 0.000 2.525 243 D HA 0.223 4.863 4.640 -0.000 0.000 0.231 243 D C 0.314 176.575 176.300 -0.066 0.000 1.216 243 D CA -0.323 53.634 54.000 -0.072 0.000 0.813 243 D CB 0.566 41.352 40.800 -0.024 0.000 1.108 243 D HN 0.240 nan 8.370 nan 0.000 0.524 244 K N 0.960 121.294 120.400 -0.110 0.000 2.297 244 K HA 0.273 4.592 4.320 -0.000 0.000 0.286 244 K C -1.401 175.169 176.600 -0.051 0.000 1.053 244 K CA -0.345 55.912 56.287 -0.050 0.000 0.940 244 K CB 0.308 32.793 32.500 -0.026 0.000 1.019 244 K HN -0.002 nan 8.250 nan 0.000 0.475 245 Y N 4.740 124.954 120.300 -0.144 0.000 2.421 245 Y HA 0.531 5.081 4.550 -0.000 0.000 0.339 245 Y C -1.865 173.964 175.900 -0.119 0.000 0.996 245 Y CA -0.981 56.982 58.100 -0.228 0.000 1.046 245 Y CB 1.174 39.477 38.460 -0.261 0.000 1.226 245 Y HN 0.479 nan 8.280 nan 0.000 0.445 246 L N 5.642 126.500 121.223 -0.607 0.000 2.431 246 L HA 0.954 5.294 4.340 -0.000 0.000 0.266 246 L C -1.140 175.361 176.870 -0.615 0.000 0.978 246 L CA -1.045 53.544 54.840 -0.419 0.000 0.822 246 L CB 2.209 44.145 42.059 -0.204 0.000 1.310 246 L HN 0.824 nan 8.230 nan 0.000 0.409 247 A N 3.565 126.166 122.820 -0.365 0.000 2.549 247 A HA 0.944 5.264 4.320 -0.000 0.000 0.297 247 A C -1.441 176.069 177.584 -0.124 0.000 1.061 247 A CA -0.409 51.472 52.037 -0.260 0.000 0.690 247 A CB 1.937 20.836 19.000 -0.168 0.000 1.287 247 A HN 0.581 nan 8.150 nan 0.000 0.402 248 I N -1.751 118.752 120.570 -0.111 0.000 2.722 248 I HA 0.758 4.928 4.170 -0.000 0.000 0.292 248 I C -0.175 175.896 176.117 -0.077 0.000 1.267 248 I CA -0.800 60.451 61.300 -0.082 0.000 1.036 248 I CB 2.124 40.070 38.000 -0.090 0.000 1.281 248 I HN 0.876 nan 8.210 nan 0.000 0.423 249 A N 5.062 127.847 122.820 -0.059 0.000 2.938 249 A HA 0.810 5.130 4.320 -0.000 0.000 0.344 249 A C -2.582 174.967 177.584 -0.058 0.000 1.142 249 A CA -1.209 50.793 52.037 -0.059 0.000 0.841 249 A CB -0.323 18.652 19.000 -0.041 0.000 1.083 249 A HN 0.558 nan 8.150 nan 0.000 0.479 250 P HA 0.316 nan 4.420 nan 0.000 0.287 250 P C -2.365 174.901 177.300 -0.058 0.000 1.294 250 P CA -1.428 61.636 63.100 -0.061 0.000 0.776 250 P CB 1.348 33.004 31.700 -0.072 0.000 0.889 251 P HA -0.182 nan 4.420 nan 0.000 0.218 251 P C 1.611 178.899 177.300 -0.020 0.000 1.146 251 P CA 0.887 63.972 63.100 -0.025 0.000 0.820 251 P CB -0.069 31.624 31.700 -0.011 0.000 0.778 252 I N -0.104 120.460 120.570 -0.010 0.000 2.151 252 I HA -0.255 3.914 4.170 -0.000 0.000 0.243 252 I C 1.995 178.098 176.117 -0.022 0.000 1.080 252 I CA 1.630 62.949 61.300 0.032 0.000 1.339 252 I CB -0.241 37.821 38.000 0.102 0.000 1.039 252 I HN -0.120 nan 8.210 nan 0.000 0.409 253 I N -1.474 118.991 120.570 -0.175 0.000 2.928 253 I HA -0.158 4.012 4.170 -0.000 0.000 0.266 253 I C 2.271 178.291 176.117 -0.160 0.000 1.234 253 I CA 1.031 62.136 61.300 -0.326 0.000 1.483 253 I CB -0.497 37.227 38.000 -0.459 0.000 1.097 253 I HN 0.118 nan 8.210 nan 0.000 0.455 254 K N 1.353 121.698 120.400 -0.092 0.000 2.020 254 K HA -0.269 4.051 4.320 -0.000 0.000 0.212 254 K C 2.173 178.753 176.600 -0.034 0.000 1.050 254 K CA 2.293 58.546 56.287 -0.057 0.000 0.929 254 K CB -0.215 32.261 32.500 -0.039 0.000 0.714 254 K HN 0.491 nan 8.250 nan 0.000 0.443 255 Q N -0.433 119.360 119.800 -0.011 0.000 2.182 255 Q HA -0.160 4.179 4.340 -0.000 0.000 0.213 255 Q C 0.509 176.510 176.000 0.003 0.000 1.000 255 Q CA 1.442 57.249 55.803 0.007 0.000 0.889 255 Q CB -0.078 28.681 28.738 0.034 0.000 0.932 255 Q HN 0.112 nan 8.270 nan 0.000 0.415 256 S N -1.856 113.850 115.700 0.010 0.000 2.556 256 S HA 0.261 4.731 4.470 -0.000 0.000 0.271 256 S C -1.127 173.474 174.600 0.001 0.000 1.135 256 S CA -0.806 57.398 58.200 0.007 0.000 0.858 256 S CB 2.035 65.248 63.200 0.021 0.000 1.114 256 S HN 0.040 nan 8.310 nan 0.000 0.468 257 T N 3.164 117.717 114.554 -0.001 0.000 2.817 257 T HA 0.248 4.597 4.350 -0.000 0.000 0.295 257 T C 0.131 174.843 174.700 0.020 0.000 0.958 257 T CA 0.237 62.335 62.100 -0.002 0.000 1.157 257 T CB -0.459 68.412 68.868 0.005 0.000 0.898 257 T HN 0.377 nan 8.240 nan 0.000 0.536 258 I N 4.757 125.326 120.570 -0.002 0.000 2.505 258 I HA 0.018 4.188 4.170 -0.000 0.000 0.287 258 I C 1.182 177.334 176.117 0.059 0.000 1.104 258 I CA 0.550 61.870 61.300 0.033 0.000 1.387 258 I CB 0.887 38.874 38.000 -0.021 0.000 1.404 258 I HN 0.458 nan 8.210 nan 0.000 0.528 259 V N 7.393 127.359 119.914 0.086 0.000 2.581 259 V HA 0.078 4.197 4.120 -0.000 0.000 0.240 259 V C 0.466 176.624 176.094 0.107 0.000 1.054 259 V CA 1.007 63.358 62.300 0.085 0.000 1.076 259 V CB 0.805 32.672 31.823 0.074 0.000 0.748 259 V HN 0.891 nan 8.190 nan 0.000 0.474 260 C N 0.953 120.321 119.300 0.114 0.000 2.707 260 C HA 0.897 5.356 4.460 -0.000 0.000 0.313 260 C C -0.155 174.928 174.990 0.155 0.000 1.209 260 C CA -0.209 58.870 59.018 0.102 0.000 1.635 260 C CB 0.631 28.399 27.740 0.048 0.000 2.206 260 C HN 0.838 nan 8.230 nan 0.000 0.485 261 H N 0.646 119.784 119.070 0.114 0.000 2.949 261 H HA 0.889 5.445 4.556 -0.000 0.000 0.310 261 H C -0.928 174.503 175.328 0.172 0.000 1.405 261 H CA -0.600 55.534 56.048 0.145 0.000 1.253 261 H CB 1.261 31.105 29.762 0.137 0.000 1.932 261 H HN 0.895 nan 8.280 nan 0.000 0.602 262 N N -0.804 118.129 118.700 0.388 0.000 4.091 262 N HA 0.101 4.841 4.740 -0.000 0.000 0.196 262 N C -1.831 173.804 175.510 0.208 0.000 1.048 262 N CA -0.690 52.525 53.050 0.275 0.000 1.120 262 N CB 1.446 40.000 38.487 0.111 0.000 1.637 262 N HN 0.876 nan 8.380 nan 0.000 0.727 263 R N 2.517 123.032 120.500 0.025 0.000 2.489 263 R HA 0.336 4.675 4.340 -0.000 0.000 0.287 263 R C -0.185 175.950 176.300 -0.276 0.000 1.053 263 R CA -0.145 55.617 56.100 -0.563 0.000 1.036 263 R CB 0.512 30.497 30.300 -0.525 0.000 0.966 263 R HN 0.389 nan 8.270 nan 0.000 0.432 264 V N 2.511 122.200 119.914 -0.376 0.000 2.521 264 V HA 0.057 4.177 4.120 -0.000 0.000 0.239 264 V C -0.042 175.901 176.094 -0.251 0.000 1.053 264 V CA 0.937 63.032 62.300 -0.342 0.000 1.073 264 V CB -0.170 31.348 31.823 -0.509 0.000 0.746 264 V HN 0.784 nan 8.190 nan 0.000 0.476 265 D N 1.353 121.609 120.400 -0.240 0.000 2.193 265 D HA 0.304 4.944 4.640 -0.000 0.000 0.244 265 D C -1.655 174.597 176.300 -0.080 0.000 1.064 265 D CA -1.749 52.181 54.000 -0.116 0.000 0.845 265 D CB 1.533 42.275 40.800 -0.097 0.000 1.148 265 D HN 0.046 nan 8.370 nan 0.000 0.464 266 P HA -0.229 nan 4.420 nan 0.000 0.216 266 P C 0.785 178.102 177.300 0.027 0.000 1.157 266 P CA 1.243 64.358 63.100 0.026 0.000 0.880 266 P CB 0.052 31.787 31.700 0.059 0.000 0.791 267 N N -0.017 118.714 118.700 0.052 0.000 2.627 267 N HA -0.051 4.688 4.740 -0.000 0.000 0.196 267 N C 1.083 176.731 175.510 0.229 0.000 1.268 267 N CA 1.095 54.219 53.050 0.123 0.000 0.904 267 N CB -1.661 36.899 38.487 0.122 0.000 1.016 267 N HN 0.235 nan 8.380 nan 0.000 0.448 268 G N 0.089 108.927 108.800 0.063 0.000 2.338 268 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.296 268 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.296 268 G C 0.782 175.678 174.900 -0.006 0.000 1.040 268 G CA 0.796 45.905 45.100 0.016 0.000 1.004 268 G HN 0.704 nan 8.290 nan 0.000 0.509 269 S N -1.205 114.472 115.700 -0.038 0.000 2.460 269 S HA 0.269 4.738 4.470 -0.000 0.000 0.226 269 S C 1.034 175.608 174.600 -0.042 0.000 1.057 269 S CA 0.374 58.538 58.200 -0.061 0.000 0.948 269 S CB 0.454 63.659 63.200 0.008 0.000 0.822 269 S HN 0.612 nan 8.310 nan 0.000 0.512 270 R N 0.156 120.591 120.500 -0.109 0.000 2.494 270 R HA 0.614 4.954 4.340 -0.000 0.000 0.305 270 R C -1.903 174.287 176.300 -0.182 0.000 0.959 270 R CA -0.482 55.564 56.100 -0.089 0.000 0.864 270 R CB 1.279 31.492 30.300 -0.145 0.000 1.159 270 R HN 0.287 nan 8.270 nan 0.000 0.446 271 Y N 1.332 121.596 120.300 -0.061 0.000 2.536 271 Y HA 0.446 4.995 4.550 -0.000 0.000 0.347 271 Y C -0.019 175.892 175.900 0.018 0.000 1.000 271 Y CA -0.864 57.233 58.100 -0.005 0.000 1.051 271 Y CB 1.946 40.412 38.460 0.009 0.000 1.259 271 Y HN 0.286 nan 8.280 nan 0.000 0.468 272 L N 3.620 124.966 121.223 0.205 0.000 2.334 272 L HA 0.651 4.990 4.340 -0.000 0.000 0.275 272 L C -1.169 175.833 176.870 0.219 0.000 1.036 272 L CA -0.727 54.211 54.840 0.163 0.000 0.807 272 L CB 1.328 43.455 42.059 0.113 0.000 1.231 272 L HN 0.441 nan 8.230 nan 0.000 0.438 273 L N 1.936 123.289 121.223 0.217 0.000 2.436 273 L HA 0.631 4.970 4.340 -0.000 0.000 0.268 273 L C 0.090 177.115 176.870 0.259 0.000 0.974 273 L CA -0.493 54.496 54.840 0.248 0.000 0.826 273 L CB 1.957 44.166 42.059 0.249 0.000 1.291 273 L HN 0.598 nan 8.230 nan 0.000 0.406 274 G N 0.128 109.047 108.800 0.198 0.000 2.437 274 G HA2 0.567 4.527 3.960 -0.000 0.000 0.319 274 G HA3 0.567 4.527 3.960 -0.000 0.000 0.319 274 G C -1.556 173.454 174.900 0.182 0.000 1.158 274 G CA -0.028 45.167 45.100 0.159 0.000 0.899 274 G HN 0.494 nan 8.290 nan 0.000 0.502 275 D N -0.085 120.407 120.400 0.153 0.000 2.566 275 D HA 0.241 4.881 4.640 -0.000 0.000 0.254 275 D C 1.141 177.489 176.300 0.081 0.000 1.090 275 D CA -0.808 53.282 54.000 0.150 0.000 1.034 275 D CB 2.006 42.943 40.800 0.228 0.000 1.434 275 D HN 0.179 nan 8.370 nan 0.000 0.509 276 M N 0.728 120.356 119.600 0.048 0.000 2.492 276 M HA -0.017 4.462 4.480 -0.000 0.000 0.262 276 M C 0.618 176.911 176.300 -0.012 0.000 1.090 276 M CA 1.329 56.632 55.300 0.005 0.000 1.110 276 M CB 0.051 32.614 32.600 -0.061 0.000 1.407 276 M HN 0.336 nan 8.290 nan 0.000 0.470 277 E N 0.074 120.279 120.200 0.009 0.000 2.299 277 E HA 0.054 4.404 4.350 -0.000 0.000 0.193 277 E C 1.230 177.837 176.600 0.011 0.000 0.998 277 E CA 0.973 57.374 56.400 0.002 0.000 0.851 277 E CB 0.071 29.784 29.700 0.021 0.000 0.795 277 E HN 0.716 nan 8.360 nan 0.000 0.492 278 G N 2.023 110.834 108.800 0.020 0.000 2.131 278 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.223 278 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.223 278 G C 0.060 174.934 174.900 -0.044 0.000 0.990 278 G CA -0.086 45.015 45.100 0.001 0.000 0.671 278 G HN 0.118 nan 8.290 nan 0.000 0.521 279 R N -0.611 119.849 120.500 -0.066 0.000 2.308 279 R HA 0.544 4.884 4.340 -0.000 0.000 0.305 279 R C -0.277 175.813 176.300 -0.350 0.000 1.053 279 R CA -0.633 55.312 56.100 -0.258 0.000 0.957 279 R CB 1.218 31.307 30.300 -0.352 0.000 1.022 279 R HN 0.170 nan 8.270 nan 0.000 0.461 280 L N 4.713 125.695 121.223 -0.402 0.000 2.264 280 L HA 0.370 4.710 4.340 -0.000 0.000 0.287 280 L C -1.228 175.434 176.870 -0.345 0.000 1.039 280 L CA 0.012 54.707 54.840 -0.241 0.000 0.829 280 L CB 0.247 42.238 42.059 -0.114 0.000 1.211 280 L HN 0.411 nan 8.230 nan 0.000 0.427 281 F N 4.483 124.444 119.950 0.019 0.000 2.403 281 F HA 0.552 5.079 4.527 -0.000 0.000 0.326 281 F C 0.311 176.112 175.800 0.002 0.000 1.081 281 F CA -0.648 57.356 58.000 0.006 0.000 1.041 281 F CB 1.528 40.532 39.000 0.006 0.000 1.234 281 F HN 0.336 nan 8.300 nan 0.000 0.503 282 M N 4.215 123.922 119.600 0.179 0.000 2.046 282 M HA 0.342 4.822 4.480 -0.000 0.000 0.309 282 M C -1.734 174.607 176.300 0.068 0.000 0.935 282 M CA -0.514 54.831 55.300 0.076 0.000 0.915 282 M CB 0.773 33.361 32.600 -0.020 0.000 1.474 282 M HN 0.418 nan 8.290 nan 0.000 0.415 283 L N 6.827 128.100 121.223 0.084 0.000 2.278 283 L HA 0.448 4.787 4.340 -0.000 0.000 0.287 283 L C -1.707 175.179 176.870 0.027 0.000 1.072 283 L CA -0.006 54.858 54.840 0.039 0.000 0.819 283 L CB 0.087 42.165 42.059 0.033 0.000 1.176 283 L HN 0.770 nan 8.230 nan 0.000 0.435 284 L N 6.794 127.998 121.223 -0.032 0.000 2.343 284 L HA 0.422 4.762 4.340 -0.000 0.000 0.278 284 L C -0.334 176.472 176.870 -0.107 0.000 0.996 284 L CA -0.741 54.066 54.840 -0.056 0.000 0.831 284 L CB 1.816 43.839 42.059 -0.059 0.000 1.232 284 L HN 0.523 nan 8.230 nan 0.000 0.413 285 L N 0.365 121.497 121.223 -0.152 0.000 2.312 285 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 285 L C -0.177 176.586 176.870 -0.179 0.000 1.070 285 L CA -0.573 54.123 54.840 -0.241 0.000 0.805 285 L CB 0.735 42.539 42.059 -0.424 0.000 1.174 285 L HN 0.457 nan 8.230 nan 0.000 0.434 286 E N 2.638 122.744 120.200 -0.156 0.000 2.229 286 E HA 0.171 4.521 4.350 -0.000 0.000 0.283 286 E C -0.672 175.909 176.600 -0.032 0.000 1.030 286 E CA -0.610 55.741 56.400 -0.081 0.000 0.836 286 E CB 1.369 31.023 29.700 -0.077 0.000 1.068 286 E HN 0.431 nan 8.360 nan 0.000 0.401 287 K N 3.981 124.402 120.400 0.035 0.000 2.339 287 K HA 0.091 4.411 4.320 -0.000 0.000 0.286 287 K C -0.648 175.976 176.600 0.040 0.000 1.050 287 K CA 0.088 56.437 56.287 0.103 0.000 0.956 287 K CB 0.801 33.370 32.500 0.114 0.000 0.990 287 K HN 0.563 nan 8.250 nan 0.000 0.475 288 E N 3.525 123.748 120.200 0.039 0.000 2.266 288 E HA 0.175 4.524 4.350 -0.000 0.000 0.268 288 E C -1.648 174.951 176.600 -0.001 0.000 0.879 288 E CA -0.587 55.818 56.400 0.008 0.000 0.762 288 E CB 1.765 31.463 29.700 -0.004 0.000 1.199 288 E HN 0.654 nan 8.360 nan 0.000 0.422 289 E N 2.359 122.553 120.200 -0.009 0.000 2.224 289 E HA 0.080 4.429 4.350 -0.000 0.000 0.265 289 E C -0.378 176.214 176.600 -0.014 0.000 0.878 289 E CA -0.312 56.078 56.400 -0.017 0.000 0.759 289 E CB 1.521 31.209 29.700 -0.020 0.000 1.164 289 E HN 0.315 nan 8.360 nan 0.000 0.414 290 Q N 4.494 124.285 119.800 -0.015 0.000 2.384 290 Q HA 0.193 4.533 4.340 -0.000 0.000 0.207 290 Q C 0.621 176.614 176.000 -0.012 0.000 0.904 290 Q CA 0.911 56.707 55.803 -0.011 0.000 0.933 290 Q CB 0.382 29.115 28.738 -0.008 0.000 1.077 290 Q HN 0.880 nan 8.270 nan 0.000 0.522 291 M N -1.269 118.321 119.600 -0.017 0.000 2.966 291 M HA -0.282 4.197 4.480 -0.000 0.000 0.199 291 M C -0.994 175.297 176.300 -0.015 0.000 0.610 291 M CA 1.498 56.788 55.300 -0.017 0.000 0.760 291 M CB -1.631 30.961 32.600 -0.013 0.000 2.724 291 M HN 0.250 nan 8.290 nan 0.000 0.289 292 D N 0.339 120.731 120.400 -0.012 0.000 2.552 292 D HA 0.602 5.242 4.640 -0.000 0.000 0.285 292 D C 0.692 176.987 176.300 -0.007 0.000 1.206 292 D CA 0.801 54.796 54.000 -0.009 0.000 0.826 292 D CB 0.851 41.648 40.800 -0.005 0.000 1.179 292 D HN 0.473 nan 8.370 nan 0.000 0.508 293 G N -0.297 108.496 108.800 -0.012 0.000 4.329 293 G HA2 0.052 4.011 3.960 -0.000 0.000 0.132 293 G HA3 0.052 4.011 3.960 -0.000 0.000 0.132 293 G C 0.388 175.277 174.900 -0.018 0.000 1.654 293 G CA 0.345 45.440 45.100 -0.008 0.000 0.966 293 G HN 0.317 nan 8.290 nan 0.000 0.310 294 T N -1.008 113.527 114.554 -0.031 0.000 2.634 294 T HA 0.566 4.915 4.350 -0.000 0.000 0.247 294 T C -1.325 173.325 174.700 -0.083 0.000 1.061 294 T CA 0.409 62.472 62.100 -0.062 0.000 1.221 294 T CB 0.807 69.636 68.868 -0.065 0.000 1.782 294 T HN 1.414 nan 8.240 nan 0.000 0.437 295 V N 0.032 119.865 119.914 -0.134 0.000 2.638 295 V HA 0.852 4.972 4.120 -0.000 0.000 0.306 295 V C -0.006 176.037 176.094 -0.085 0.000 1.052 295 V CA -0.482 61.736 62.300 -0.136 0.000 0.885 295 V CB 1.137 32.828 31.823 -0.220 0.000 0.999 295 V HN 0.981 nan 8.190 nan 0.000 0.424 296 T N 3.675 118.225 114.554 -0.007 0.000 2.946 296 T HA 0.818 5.167 4.350 -0.000 0.000 0.295 296 T C -0.797 173.957 174.700 0.090 0.000 1.143 296 T CA -0.313 61.816 62.100 0.049 0.000 0.944 296 T CB 0.941 69.822 68.868 0.022 0.000 1.800 296 T HN 0.623 nan 8.240 nan 0.000 0.590 297 L N 1.046 122.280 121.223 0.019 0.000 2.431 297 L HA 0.578 4.918 4.340 -0.000 0.000 0.266 297 L C 0.492 177.313 176.870 -0.082 0.000 0.978 297 L CA -0.591 54.211 54.840 -0.062 0.000 0.822 297 L CB 2.100 44.000 42.059 -0.264 0.000 1.310 297 L HN 0.604 nan 8.230 nan 0.000 0.409 298 K N 0.509 120.860 120.400 -0.081 0.000 2.168 298 K HA 0.281 4.601 4.320 -0.000 0.000 0.201 298 K C -0.085 176.457 176.600 -0.098 0.000 1.049 298 K CA 0.922 57.167 56.287 -0.070 0.000 0.974 298 K CB 0.371 32.842 32.500 -0.048 0.000 0.792 298 K HN 0.717 nan 8.250 nan 0.000 0.463 299 D N -2.071 118.250 120.400 -0.131 0.000 2.879 299 D HA 0.325 4.965 4.640 -0.000 0.000 0.346 299 D C -2.074 174.117 176.300 -0.183 0.000 1.390 299 D CA -0.384 53.530 54.000 -0.143 0.000 0.838 299 D CB 0.798 41.539 40.800 -0.098 0.000 1.416 299 D HN -0.009 nan 8.370 nan 0.000 0.493 300 L N -0.651 120.473 121.223 -0.166 0.000 2.710 300 L HA 0.633 4.973 4.340 -0.000 0.000 0.262 300 L C -1.250 175.545 176.870 -0.125 0.000 0.940 300 L CA -0.982 53.757 54.840 -0.169 0.000 0.944 300 L CB 1.573 43.493 42.059 -0.231 0.000 1.348 300 L HN 0.464 nan 8.230 nan 0.000 0.425 301 R N 2.640 123.082 120.500 -0.097 0.000 2.787 301 R HA 0.893 5.233 4.340 -0.000 0.000 0.271 301 R C -1.689 174.577 176.300 -0.056 0.000 0.993 301 R CA -0.727 55.330 56.100 -0.073 0.000 0.993 301 R CB 2.526 32.792 30.300 -0.057 0.000 1.155 301 R HN 0.485 nan 8.270 nan 0.000 0.486 302 V N 2.184 122.074 119.914 -0.040 0.000 2.409 302 V HA 0.364 4.483 4.120 -0.000 0.000 0.291 302 V C -0.281 175.846 176.094 0.054 0.000 1.020 302 V CA -0.723 61.575 62.300 -0.004 0.000 0.848 302 V CB 1.426 33.216 31.823 -0.054 0.000 0.990 302 V HN 0.770 nan 8.190 nan 0.000 0.430 303 E N 3.272 123.521 120.200 0.080 0.000 2.183 303 E HA 0.452 4.802 4.350 -0.000 0.000 0.271 303 E C -1.211 175.468 176.600 0.131 0.000 0.919 303 E CA -1.096 55.345 56.400 0.070 0.000 0.781 303 E CB 2.994 32.666 29.700 -0.046 0.000 1.140 303 E HN 0.474 nan 8.360 nan 0.000 0.402 304 L N 4.185 125.474 121.223 0.110 0.000 2.278 304 L HA 0.163 4.503 4.340 -0.000 0.000 0.287 304 L C 0.085 176.931 176.870 -0.040 0.000 1.072 304 L CA 0.486 55.301 54.840 -0.042 0.000 0.819 304 L CB 0.248 42.291 42.059 -0.027 0.000 1.176 304 L HN 0.691 nan 8.230 nan 0.000 0.435 305 L N 4.870 126.034 121.223 -0.098 0.000 2.354 305 L HA 0.425 4.765 4.340 -0.000 0.000 0.212 305 L C 1.225 178.150 176.870 0.092 0.000 1.091 305 L CA 0.693 55.545 54.840 0.021 0.000 0.828 305 L CB -0.225 41.809 42.059 -0.043 0.000 0.973 305 L HN 0.930 nan 8.230 nan 0.000 0.461 306 G N -0.381 108.387 108.800 -0.053 0.000 2.553 306 G HA2 0.029 3.989 3.960 -0.000 0.000 0.106 306 G HA3 0.029 3.989 3.960 -0.000 0.000 0.106 306 G C -1.520 173.316 174.900 -0.106 0.000 1.126 306 G CA -0.492 44.578 45.100 -0.051 0.000 1.075 306 G HN 0.005 nan 8.290 nan 0.000 0.472 307 E N -0.067 120.090 120.200 -0.072 0.000 2.308 307 E HA 0.639 4.989 4.350 -0.000 0.000 0.275 307 E C -0.464 176.104 176.600 -0.054 0.000 0.890 307 E CA -0.166 56.193 56.400 -0.069 0.000 0.754 307 E CB 2.074 31.744 29.700 -0.051 0.000 1.207 307 E HN 0.896 nan 8.360 nan 0.000 0.426 308 T N 0.092 114.615 114.554 -0.052 0.000 2.887 308 T HA 0.568 4.917 4.350 -0.000 0.000 0.292 308 T C -0.287 174.392 174.700 -0.035 0.000 1.087 308 T CA -0.946 61.125 62.100 -0.048 0.000 1.009 308 T CB 1.313 70.151 68.868 -0.051 0.000 1.203 308 T HN 0.284 nan 8.240 nan 0.000 0.518 309 S N 1.567 117.240 115.700 -0.045 0.000 2.572 309 S HA 0.259 4.728 4.470 -0.000 0.000 0.279 309 S C 0.858 175.447 174.600 -0.018 0.000 1.341 309 S CA -0.901 57.279 58.200 -0.033 0.000 1.043 309 S CB -0.206 62.961 63.200 -0.056 0.000 0.887 309 S HN 0.645 nan 8.310 nan 0.000 0.516 310 I N 1.900 122.476 120.570 0.011 0.000 3.076 310 I HA -0.038 4.131 4.170 -0.000 0.000 0.287 310 I C 0.938 177.067 176.117 0.020 0.000 1.204 310 I CA 0.045 61.365 61.300 0.034 0.000 1.370 310 I CB -2.324 35.725 38.000 0.082 0.000 1.444 310 I HN 0.658 nan 8.210 nan 0.000 0.549 311 A N 6.730 129.560 122.820 0.016 0.000 2.454 311 A HA 0.182 4.501 4.320 -0.000 0.000 0.260 311 A C 1.189 178.790 177.584 0.029 0.000 1.106 311 A CA -0.255 51.787 52.037 0.008 0.000 0.780 311 A CB 0.602 19.608 19.000 0.011 0.000 1.044 311 A HN 0.756 nan 8.150 nan 0.000 0.498 312 E N 0.777 120.991 120.200 0.024 0.000 2.330 312 E HA 0.079 4.429 4.350 -0.000 0.000 0.200 312 E C -0.217 176.404 176.600 0.035 0.000 0.922 312 E CA 0.520 56.940 56.400 0.034 0.000 0.935 312 E CB 0.716 30.433 29.700 0.029 0.000 0.917 312 E HN 0.691 nan 8.360 nan 0.000 0.491 313 c N 0.775 119.400 118.600 0.041 0.000 2.634 313 c HA 0.736 5.306 4.570 -0.000 0.000 0.313 313 c C -1.438 172.698 174.090 0.076 0.000 1.198 313 c CA -0.689 55.678 56.329 0.062 0.000 1.605 313 c CB 0.602 43.176 42.510 0.107 0.000 2.196 313 c HN 0.246 nan 8.230 nan 0.000 0.486 314 L N 3.864 125.135 121.223 0.080 0.000 2.482 314 L HA 0.792 5.132 4.340 -0.000 0.000 0.263 314 L C -0.605 176.336 176.870 0.119 0.000 0.957 314 L CA 0.337 55.235 54.840 0.095 0.000 0.836 314 L CB 2.564 44.663 42.059 0.066 0.000 1.324 314 L HN 0.889 nan 8.230 nan 0.000 0.406 315 T N 2.302 116.956 114.554 0.167 0.000 3.395 315 T HA 0.245 4.595 4.350 -0.000 0.000 0.330 315 T C -1.379 173.433 174.700 0.188 0.000 1.076 315 T CA -0.473 61.721 62.100 0.157 0.000 1.070 315 T CB 0.744 69.681 68.868 0.117 0.000 1.119 315 T HN 0.334 nan 8.240 nan 0.000 0.462 316 Y N 3.761 124.090 120.300 0.048 0.000 2.346 316 Y HA 0.602 5.152 4.550 -0.000 0.000 0.330 316 Y C -0.178 175.736 175.900 0.025 0.000 1.178 316 Y CA -0.429 57.692 58.100 0.035 0.000 1.331 316 Y CB 0.331 38.798 38.460 0.012 0.000 1.253 316 Y HN 0.670 nan 8.280 nan 0.000 0.529 317 L N 2.845 123.696 121.223 -0.620 0.000 2.666 317 L HA 0.321 4.660 4.340 -0.000 0.000 0.213 317 L C 0.981 177.408 176.870 -0.739 0.000 1.734 317 L CA -0.380 54.161 54.840 -0.499 0.000 2.979 317 L CB -0.374 41.527 42.059 -0.263 0.000 2.784 317 L HN 0.516 nan 8.230 nan 0.000 0.797 318 D N -0.268 119.860 120.400 -0.453 0.000 2.096 318 D HA -0.031 4.608 4.640 -0.000 0.000 0.214 318 D C 0.155 176.291 176.300 -0.273 0.000 0.974 318 D CA 1.072 54.898 54.000 -0.290 0.000 0.890 318 D CB 0.262 40.980 40.800 -0.137 0.000 1.016 318 D HN 0.203 nan 8.370 nan 0.000 0.447 319 N N -0.652 117.965 118.700 -0.139 0.000 2.682 319 N HA 0.362 5.102 4.740 -0.000 0.000 0.252 319 N C 0.192 175.758 175.510 0.094 0.000 1.081 319 N CA 0.471 53.544 53.050 0.039 0.000 0.844 319 N CB 1.526 40.040 38.487 0.045 0.000 1.167 319 N HN 0.444 nan 8.380 nan 0.000 0.523 320 G N 0.503 109.481 108.800 0.296 0.000 2.396 320 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.242 320 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.242 320 G C 0.217 175.240 174.900 0.205 0.000 1.069 320 G CA 0.387 45.666 45.100 0.299 0.000 0.633 320 G HN 0.429 nan 8.290 nan 0.000 0.517 321 V N 1.117 121.049 119.914 0.031 0.000 2.475 321 V HA 0.420 4.540 4.120 -0.000 0.000 0.292 321 V C 0.699 176.795 176.094 0.003 0.000 1.003 321 V CA 0.065 62.359 62.300 -0.009 0.000 1.120 321 V CB 1.187 32.972 31.823 -0.063 0.000 0.937 321 V HN 0.507 nan 8.190 nan 0.000 0.476 322 V N 6.281 126.248 119.914 0.088 0.000 2.483 322 V HA 0.404 4.524 4.120 -0.000 0.000 0.297 322 V C -0.463 175.706 176.094 0.126 0.000 1.027 322 V CA -0.531 61.849 62.300 0.133 0.000 0.855 322 V CB 1.689 33.604 31.823 0.155 0.000 0.995 322 V HN 0.742 nan 8.190 nan 0.000 0.424 323 F N 6.008 125.967 119.950 0.015 0.000 2.411 323 F HA 0.632 5.159 4.527 -0.000 0.000 0.350 323 F C -0.158 175.658 175.800 0.027 0.000 1.114 323 F CA -0.258 57.753 58.000 0.018 0.000 1.135 323 F CB 1.214 40.189 39.000 -0.042 0.000 1.120 323 F HN 0.262 nan 8.300 nan 0.000 0.495 324 V N 6.400 125.911 119.914 -0.672 0.000 2.328 324 V HA 0.411 4.530 4.120 -0.000 0.000 0.278 324 V C 0.518 176.230 176.094 -0.637 0.000 1.021 324 V CA -0.669 61.373 62.300 -0.431 0.000 0.838 324 V CB 1.009 32.693 31.823 -0.232 0.000 0.999 324 V HN 0.973 nan 8.190 nan 0.000 0.447 325 G N 3.036 111.676 108.800 -0.266 0.000 2.391 325 G HA2 0.414 4.374 3.960 -0.000 0.000 0.305 325 G HA3 0.414 4.374 3.960 -0.000 0.000 0.305 325 G C -0.009 174.865 174.900 -0.043 0.000 1.072 325 G CA -0.037 45.025 45.100 -0.063 0.000 1.016 325 G HN 0.646 nan 8.290 nan 0.000 0.418 326 S N 1.581 117.248 115.700 -0.056 0.000 2.593 326 S HA 0.508 4.978 4.470 -0.000 0.000 0.297 326 S C 1.100 175.693 174.600 -0.010 0.000 1.112 326 S CA -0.830 57.352 58.200 -0.030 0.000 1.043 326 S CB 1.915 65.088 63.200 -0.046 0.000 1.054 326 S HN 0.668 nan 8.310 nan 0.000 0.516 327 R N 1.873 122.369 120.500 -0.007 0.000 2.257 327 R HA 0.342 4.682 4.340 -0.000 0.000 0.195 327 R C 0.642 176.923 176.300 -0.032 0.000 0.921 327 R CA 0.375 56.468 56.100 -0.011 0.000 1.069 327 R CB -0.155 30.145 30.300 -0.000 0.000 1.115 327 R HN 0.620 nan 8.270 nan 0.000 0.571 328 L N -0.035 121.170 121.223 -0.030 0.000 2.607 328 L HA 0.412 4.752 4.340 -0.000 0.000 0.228 328 L C 0.783 177.609 176.870 -0.073 0.000 1.123 328 L CA 0.315 55.116 54.840 -0.064 0.000 0.890 328 L CB 1.299 43.330 42.059 -0.047 0.000 1.103 328 L HN 0.200 nan 8.230 nan 0.000 0.468 329 G N -1.891 106.877 108.800 -0.054 0.000 2.721 329 G HA2 0.400 4.360 3.960 -0.000 0.000 0.296 329 G HA3 0.400 4.360 3.960 -0.000 0.000 0.296 329 G C -1.762 173.106 174.900 -0.054 0.000 1.383 329 G CA -0.727 44.335 45.100 -0.064 0.000 0.788 329 G HN -0.005 nan 8.290 nan 0.000 0.500 330 D N 1.017 121.381 120.400 -0.060 0.000 2.371 330 D HA 0.433 5.072 4.640 -0.000 0.000 0.256 330 D C 0.747 177.028 176.300 -0.032 0.000 1.193 330 D CA 0.308 54.285 54.000 -0.038 0.000 0.881 330 D CB 1.239 42.003 40.800 -0.060 0.000 1.143 330 D HN 0.231 nan 8.370 nan 0.000 0.473 331 S N 1.552 117.260 115.700 0.013 0.000 2.572 331 S HA 0.218 4.688 4.470 -0.000 0.000 0.267 331 S C 0.102 174.745 174.600 0.071 0.000 1.361 331 S CA -0.340 57.843 58.200 -0.029 0.000 1.009 331 S CB 0.383 63.568 63.200 -0.025 0.000 0.888 331 S HN 0.598 nan 8.310 nan 0.000 0.553 332 Q N -0.277 119.468 119.800 -0.092 0.000 2.633 332 Q HA 0.642 4.982 4.340 -0.000 0.000 0.289 332 Q C -2.087 173.853 176.000 -0.100 0.000 0.940 332 Q CA -1.006 54.702 55.803 -0.158 0.000 0.785 332 Q CB 0.749 29.361 28.738 -0.210 0.000 1.467 332 Q HN 0.368 nan 8.270 nan 0.000 0.401 333 L N 1.210 122.388 121.223 -0.075 0.000 2.307 333 L HA 0.742 5.082 4.340 -0.000 0.000 0.284 333 L C -1.359 175.488 176.870 -0.037 0.000 1.023 333 L CA -0.605 54.264 54.840 0.048 0.000 0.810 333 L CB 1.990 44.131 42.059 0.137 0.000 1.231 333 L HN 0.652 nan 8.230 nan 0.000 0.423 334 V N 3.953 123.865 119.914 -0.003 0.000 2.686 334 V HA 0.499 4.619 4.120 -0.000 0.000 0.306 334 V C -0.667 175.444 176.094 0.029 0.000 1.065 334 V CA -0.927 61.369 62.300 -0.008 0.000 0.894 334 V CB 2.260 34.069 31.823 -0.023 0.000 1.004 334 V HN 0.687 nan 8.190 nan 0.000 0.424 335 K N 4.857 125.273 120.400 0.026 0.000 2.185 335 K HA 0.577 4.897 4.320 -0.000 0.000 0.269 335 K C -1.089 175.550 176.600 0.065 0.000 0.987 335 K CA -0.196 56.120 56.287 0.048 0.000 0.865 335 K CB 1.073 33.593 32.500 0.033 0.000 1.090 335 K HN 0.605 nan 8.250 nan 0.000 0.450 336 L N 5.289 126.569 121.223 0.095 0.000 2.270 336 L HA 0.327 4.667 4.340 -0.000 0.000 0.286 336 L C -0.089 176.839 176.870 0.097 0.000 1.059 336 L CA -0.455 54.443 54.840 0.096 0.000 0.839 336 L CB 0.634 42.748 42.059 0.091 0.000 1.221 336 L HN 0.783 nan 8.230 nan 0.000 0.431 337 N N 1.021 119.786 118.700 0.108 0.000 2.379 337 N HA 0.179 4.918 4.740 -0.000 0.000 0.260 337 N C 0.928 176.529 175.510 0.151 0.000 1.254 337 N CA -0.729 52.386 53.050 0.108 0.000 0.958 337 N CB 1.495 40.032 38.487 0.084 0.000 1.208 337 N HN 0.244 nan 8.380 nan 0.000 0.532 338 V N -0.990 119.003 119.914 0.132 0.000 3.052 338 V HA 0.034 4.154 4.120 -0.000 0.000 0.254 338 V C -0.162 176.093 176.094 0.267 0.000 1.100 338 V CA 1.119 63.510 62.300 0.152 0.000 1.112 338 V CB -0.414 31.459 31.823 0.083 0.000 0.738 338 V HN 0.587 nan 8.190 nan 0.000 0.469 339 D N 0.372 120.875 120.400 0.172 0.000 2.256 339 D HA 0.437 5.077 4.640 -0.000 0.000 0.246 339 D C -0.292 175.923 176.300 -0.142 0.000 1.042 339 D CA 0.005 54.040 54.000 0.058 0.000 0.841 339 D CB 2.047 42.857 40.800 0.016 0.000 1.223 339 D HN 0.120 nan 8.370 nan 0.000 0.470 340 S N 1.376 116.835 115.700 -0.402 0.000 2.600 340 S HA 0.223 4.693 4.470 -0.000 0.000 0.265 340 S C 0.795 175.243 174.600 -0.254 0.000 1.325 340 S CA -0.566 57.304 58.200 -0.550 0.000 1.002 340 S CB 0.707 63.516 63.200 -0.652 0.000 0.921 340 S HN 0.610 nan 8.310 nan 0.000 0.554 341 N N 0.749 119.321 118.700 -0.212 0.000 2.677 341 N HA 0.225 4.965 4.740 -0.000 0.000 0.256 341 N C -1.258 174.185 175.510 -0.111 0.000 1.441 341 N CA -0.618 52.356 53.050 -0.126 0.000 0.902 341 N CB -0.254 38.177 38.487 -0.093 0.000 1.540 341 N HN 0.349 nan 8.380 nan 0.000 0.382 342 E N 0.563 120.712 120.200 -0.085 0.000 2.129 342 E HA 0.160 4.510 4.350 -0.000 0.000 0.283 342 E C -0.545 176.009 176.600 -0.076 0.000 1.080 342 E CA 0.181 56.538 56.400 -0.071 0.000 0.867 342 E CB 0.709 30.376 29.700 -0.055 0.000 1.056 342 E HN 0.607 nan 8.360 nan 0.000 0.404 343 Q N 1.161 120.915 119.800 -0.076 0.000 2.411 343 Q HA -0.123 4.217 4.340 -0.000 0.000 0.176 343 Q C 0.582 176.533 176.000 -0.082 0.000 0.587 343 Q CA 0.488 56.251 55.803 -0.067 0.000 1.335 343 Q CB -1.554 27.148 28.738 -0.059 0.000 1.086 343 Q HN 0.927 nan 8.270 nan 0.000 1.017 344 G N 0.403 109.126 108.800 -0.128 0.000 2.248 344 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.263 344 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.263 344 G C -0.264 174.488 174.900 -0.248 0.000 1.082 344 G CA 0.384 45.366 45.100 -0.197 0.000 0.863 344 G HN 0.490 nan 8.290 nan 0.000 0.495 345 S N -0.415 115.145 115.700 -0.234 0.000 2.448 345 S HA 0.593 5.063 4.470 -0.000 0.000 0.320 345 S C 1.142 175.633 174.600 -0.182 0.000 1.071 345 S CA -0.614 57.495 58.200 -0.151 0.000 1.113 345 S CB 0.325 63.477 63.200 -0.079 0.000 0.972 345 S HN 0.326 nan 8.310 nan 0.000 0.465 346 Y N 3.054 123.335 120.300 -0.033 0.000 2.578 346 Y HA 0.180 4.729 4.550 -0.000 0.000 0.297 346 Y C 0.721 176.608 175.900 -0.022 0.000 1.176 346 Y CA -0.030 58.056 58.100 -0.023 0.000 1.315 346 Y CB 0.144 38.591 38.460 -0.022 0.000 1.031 346 Y HN 0.344 nan 8.280 nan 0.000 0.524 347 V N 1.015 120.982 119.914 0.088 0.000 2.394 347 V HA 0.348 4.468 4.120 -0.000 0.000 0.282 347 V C -0.304 175.794 176.094 0.006 0.000 1.031 347 V CA -0.952 61.373 62.300 0.042 0.000 0.881 347 V CB 1.730 33.563 31.823 0.016 0.000 0.982 347 V HN -0.203 nan 8.190 nan 0.000 0.451 348 V N 4.354 124.271 119.914 0.005 0.000 2.483 348 V HA 0.616 4.736 4.120 -0.000 0.000 0.297 348 V C 0.422 176.503 176.094 -0.023 0.000 1.027 348 V CA -0.787 61.506 62.300 -0.013 0.000 0.855 348 V CB 1.843 33.661 31.823 -0.009 0.000 0.995 348 V HN 0.995 nan 8.190 nan 0.000 0.424 349 A N 5.799 128.595 122.820 -0.040 0.000 2.520 349 A HA 0.459 4.779 4.320 -0.000 0.000 0.245 349 A C 0.757 178.302 177.584 -0.066 0.000 1.072 349 A CA 0.302 52.302 52.037 -0.063 0.000 0.761 349 A CB 0.260 19.215 19.000 -0.075 0.000 1.004 349 A HN 0.911 nan 8.150 nan 0.000 0.499 350 M N 0.896 120.448 119.600 -0.080 0.000 2.751 350 M HA 0.210 4.690 4.480 -0.000 0.000 0.252 350 M C 0.842 177.060 176.300 -0.135 0.000 1.264 350 M CA 0.980 56.233 55.300 -0.078 0.000 1.237 350 M CB 0.168 32.740 32.600 -0.047 0.000 1.242 350 M HN 0.826 nan 8.290 nan 0.000 0.525 351 E N -0.371 119.692 120.200 -0.229 0.000 2.340 351 E HA 0.322 4.672 4.350 -0.000 0.000 0.273 351 E C -1.449 174.757 176.600 -0.657 0.000 0.891 351 E CA -0.403 55.747 56.400 -0.417 0.000 0.757 351 E CB 2.288 31.707 29.700 -0.468 0.000 1.231 351 E HN -0.115 nan 8.360 nan 0.000 0.439 352 T N 4.058 118.237 114.554 -0.625 0.000 2.892 352 T HA 0.385 4.735 4.350 -0.000 0.000 0.311 352 T C -1.172 173.249 174.700 -0.465 0.000 1.033 352 T CA -0.424 61.367 62.100 -0.516 0.000 0.991 352 T CB -0.178 68.536 68.868 -0.256 0.000 0.981 352 T HN 0.266 nan 8.240 nan 0.000 0.457 353 F N 2.586 122.497 119.950 -0.064 0.000 2.420 353 F HA 0.299 4.826 4.527 -0.000 0.000 0.352 353 F C 1.576 177.343 175.800 -0.055 0.000 1.108 353 F CA -1.173 56.802 58.000 -0.042 0.000 1.162 353 F CB 0.446 39.441 39.000 -0.010 0.000 1.118 353 F HN 0.360 nan 8.300 nan 0.000 0.510 354 T N 0.094 114.710 114.554 0.104 0.000 2.754 354 T HA 0.047 4.397 4.350 -0.000 0.000 0.282 354 T C -0.258 174.451 174.700 0.016 0.000 0.923 354 T CA -0.680 61.428 62.100 0.014 0.000 1.164 354 T CB -0.320 68.531 68.868 -0.029 0.000 0.873 354 T HN 0.524 nan 8.240 nan 0.000 0.537 355 N N 3.406 122.102 118.700 -0.007 0.000 2.437 355 N HA 0.261 5.001 4.740 -0.000 0.000 0.259 355 N C 0.603 176.077 175.510 -0.060 0.000 0.983 355 N CA -0.934 52.103 53.050 -0.023 0.000 0.937 355 N CB 0.691 39.169 38.487 -0.014 0.000 1.122 355 N HN 0.583 nan 8.380 nan 0.000 0.499 356 L N 2.717 123.900 121.223 -0.066 0.000 2.610 356 L HA 0.249 4.589 4.340 -0.000 0.000 0.232 356 L C 1.541 178.359 176.870 -0.088 0.000 1.149 356 L CA 0.216 55.004 54.840 -0.088 0.000 0.872 356 L CB -1.331 40.675 42.059 -0.088 0.000 0.992 356 L HN 0.834 nan 8.230 nan 0.000 0.447 357 G N 0.998 109.754 108.800 -0.074 0.000 2.625 357 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.311 357 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.311 357 G C -2.338 172.510 174.900 -0.086 0.000 1.324 357 G CA -0.824 44.229 45.100 -0.079 0.000 0.918 357 G HN 0.167 nan 8.290 nan 0.000 0.556 358 P HA 0.175 nan 4.420 nan 0.000 0.254 358 P C 0.290 177.523 177.300 -0.112 0.000 1.186 358 P CA 0.291 63.322 63.100 -0.114 0.000 0.868 358 P CB -0.130 31.479 31.700 -0.153 0.000 0.856 359 I N 4.007 124.524 120.570 -0.087 0.000 2.406 359 I HA -0.037 4.133 4.170 -0.000 0.000 0.293 359 I C 1.572 177.646 176.117 -0.072 0.000 1.101 359 I CA -0.090 61.161 61.300 -0.081 0.000 1.334 359 I CB 0.742 38.700 38.000 -0.069 0.000 1.421 359 I HN 0.172 nan 8.210 nan 0.000 0.513 360 V N 4.237 124.103 119.914 -0.080 0.000 2.599 360 V HA 0.021 4.140 4.120 -0.000 0.000 0.245 360 V C 0.405 176.482 176.094 -0.029 0.000 1.046 360 V CA 1.182 63.444 62.300 -0.063 0.000 1.065 360 V CB -0.405 31.371 31.823 -0.079 0.000 0.703 360 V HN 0.821 nan 8.190 nan 0.000 0.464 361 D N -1.064 119.314 120.400 -0.037 0.000 2.663 361 D HA 0.531 5.170 4.640 -0.000 0.000 0.233 361 D C -0.994 175.288 176.300 -0.030 0.000 1.240 361 D CA -0.485 53.508 54.000 -0.013 0.000 0.774 361 D CB 1.636 42.438 40.800 0.005 0.000 1.443 361 D HN 0.169 nan 8.370 nan 0.000 0.441 362 M N 0.727 120.322 119.600 -0.008 0.000 2.773 362 M HA 0.731 5.211 4.480 -0.000 0.000 0.270 362 M C -1.662 174.653 176.300 0.025 0.000 1.238 362 M CA -0.775 54.512 55.300 -0.021 0.000 0.832 362 M CB 1.821 34.398 32.600 -0.039 0.000 1.672 362 M HN 0.796 nan 8.290 nan 0.000 0.480 363 C N -0.195 119.119 119.300 0.022 0.000 3.239 363 C HA 0.856 5.315 4.460 -0.000 0.000 0.317 363 C C -0.822 174.202 174.990 0.056 0.000 1.310 363 C CA -0.745 58.318 59.018 0.075 0.000 1.371 363 C CB 1.391 29.213 27.740 0.136 0.000 1.714 363 C HN 0.798 nan 8.230 nan 0.000 0.473 364 V N 2.321 122.281 119.914 0.076 0.000 2.385 364 V HA 0.627 4.747 4.120 -0.000 0.000 0.269 364 V C -0.150 175.964 176.094 0.034 0.000 1.043 364 V CA 0.068 62.398 62.300 0.052 0.000 0.906 364 V CB 1.093 32.956 31.823 0.065 0.000 0.995 364 V HN 0.808 nan 8.190 nan 0.000 0.467 365 V N 4.204 124.108 119.914 -0.017 0.000 2.623 365 V HA 0.339 4.458 4.120 -0.000 0.000 0.304 365 V C 0.269 176.305 176.094 -0.096 0.000 1.054 365 V CA -0.561 61.655 62.300 -0.140 0.000 0.882 365 V CB 1.865 33.515 31.823 -0.288 0.000 1.002 365 V HN 0.747 nan 8.190 nan 0.000 0.424 366 D N 2.463 122.811 120.400 -0.087 0.000 2.078 366 D HA -0.071 4.569 4.640 -0.000 0.000 0.193 366 D C 1.849 178.131 176.300 -0.031 0.000 0.990 366 D CA 1.810 55.791 54.000 -0.032 0.000 0.827 366 D CB -0.032 40.766 40.800 -0.002 0.000 0.975 366 D HN 0.549 nan 8.370 nan 0.000 0.451 367 L N -0.884 120.303 121.223 -0.061 0.000 4.988 367 L HA -0.269 4.071 4.340 -0.000 0.000 0.439 367 L C 0.657 177.521 176.870 -0.009 0.000 1.080 367 L CA 1.187 55.997 54.840 -0.049 0.000 1.018 367 L CB -0.801 41.266 42.059 0.013 0.000 1.945 367 L HN 0.192 nan 8.230 nan 0.000 0.782 368 E N -0.573 119.632 120.200 0.008 0.000 2.641 368 E HA 0.213 4.563 4.350 -0.000 0.000 0.224 368 E C 0.300 176.914 176.600 0.024 0.000 0.951 368 E CA -0.328 56.084 56.400 0.021 0.000 1.102 368 E CB 0.549 30.256 29.700 0.011 0.000 1.091 368 E HN 0.352 nan 8.360 nan 0.000 0.507 369 R N 1.522 122.038 120.500 0.026 0.000 3.484 369 R HA -0.244 4.095 4.340 -0.000 0.000 0.260 369 R C 0.514 176.827 176.300 0.021 0.000 1.053 369 R CA 0.925 57.043 56.100 0.030 0.000 0.703 369 R CB -1.553 28.771 30.300 0.040 0.000 1.089 369 R HN 0.426 nan 8.270 nan 0.000 0.459 370 Q N -1.518 118.290 119.800 0.014 0.000 3.072 370 Q HA 0.353 4.693 4.340 -0.000 0.000 0.231 370 Q C 1.748 177.753 176.000 0.009 0.000 1.167 370 Q CA 0.256 56.063 55.803 0.007 0.000 0.318 370 Q CB 0.193 28.931 28.738 -0.000 0.000 5.789 370 Q HN 0.292 nan 8.270 nan 0.000 0.322 371 G N -0.490 108.313 108.800 0.006 0.000 2.649 371 G HA2 0.035 3.995 3.960 -0.000 0.000 0.199 371 G HA3 0.035 3.995 3.960 -0.000 0.000 0.199 371 G C -0.221 174.685 174.900 0.010 0.000 1.085 371 G CA -0.120 44.985 45.100 0.009 0.000 0.804 371 G HN 0.324 nan 8.290 nan 0.000 0.671 372 Q N 0.766 120.569 119.800 0.006 0.000 2.421 372 Q HA 0.535 4.875 4.340 -0.000 0.000 0.255 372 Q C 0.186 176.192 176.000 0.010 0.000 1.013 372 Q CA -0.044 55.763 55.803 0.007 0.000 0.895 372 Q CB 0.714 29.452 28.738 -0.000 0.000 1.271 372 Q HN 0.138 nan 8.270 nan 0.000 0.460 373 G N 1.498 110.306 108.800 0.014 0.000 2.415 373 G HA2 0.460 4.419 3.960 -0.000 0.000 0.327 373 G HA3 0.460 4.419 3.960 -0.000 0.000 0.327 373 G C -0.862 174.043 174.900 0.009 0.000 1.182 373 G CA -0.853 44.255 45.100 0.013 0.000 0.924 373 G HN 0.461 nan 8.290 nan 0.000 0.470 374 Q N 0.226 120.029 119.800 0.005 0.000 2.260 374 Q HA 0.399 4.739 4.340 -0.000 0.000 0.238 374 Q C -0.856 175.139 176.000 -0.009 0.000 0.948 374 Q CA -0.649 55.156 55.803 0.003 0.000 0.895 374 Q CB 2.542 31.291 28.738 0.018 0.000 1.218 374 Q HN 0.403 nan 8.270 nan 0.000 0.470 375 L N 0.841 122.046 121.223 -0.030 0.000 2.329 375 L HA 0.409 4.749 4.340 -0.000 0.000 0.279 375 L C -1.182 175.629 176.870 -0.098 0.000 1.014 375 L CA -0.631 54.181 54.840 -0.048 0.000 0.814 375 L CB 2.011 44.040 42.059 -0.049 0.000 1.257 375 L HN 0.343 nan 8.230 nan 0.000 0.424 376 V N 3.239 123.075 119.914 -0.130 0.000 2.305 376 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 376 V C -0.026 175.946 176.094 -0.203 0.000 1.020 376 V CA -0.451 61.709 62.300 -0.233 0.000 0.811 376 V CB 1.168 32.729 31.823 -0.437 0.000 1.031 376 V HN 0.861 nan 8.190 nan 0.000 0.439 377 T N 0.969 115.416 114.554 -0.179 0.000 2.806 377 T HA 0.320 4.670 4.350 -0.000 0.000 0.290 377 T C 0.042 174.647 174.700 -0.159 0.000 0.966 377 T CA -0.500 61.514 62.100 -0.144 0.000 1.060 377 T CB 0.751 69.544 68.868 -0.125 0.000 0.927 377 T HN 0.528 nan 8.240 nan 0.000 0.485 378 C N 4.672 123.891 119.300 -0.134 0.000 2.619 378 C HA 0.513 4.973 4.460 -0.000 0.000 0.389 378 C C 1.139 176.049 174.990 -0.133 0.000 1.314 378 C CA -0.360 58.579 59.018 -0.132 0.000 1.678 378 C CB -1.825 25.852 27.740 -0.106 0.000 2.398 378 C HN 0.992 nan 8.230 nan 0.000 0.582 379 S N 1.485 117.096 115.700 -0.149 0.000 2.759 379 S HA 0.916 5.386 4.470 -0.000 0.000 0.310 379 S C 0.496 174.997 174.600 -0.165 0.000 1.123 379 S CA 0.450 58.562 58.200 -0.148 0.000 0.959 379 S CB 1.454 64.567 63.200 -0.145 0.000 1.172 379 S HN 1.461 nan 8.310 nan 0.000 0.539 380 G N 0.226 108.929 108.800 -0.163 0.000 2.749 380 G HA2 0.331 4.291 3.960 -0.000 0.000 0.242 380 G HA3 0.331 4.291 3.960 -0.000 0.000 0.242 380 G C -0.367 174.385 174.900 -0.247 0.000 1.364 380 G CA -0.191 44.800 45.100 -0.181 0.000 0.888 380 G HN 1.726 nan 8.290 nan 0.000 0.566 381 A N -1.617 121.025 122.820 -0.298 0.000 2.594 381 A HA 0.907 5.227 4.320 -0.000 0.000 0.296 381 A C 0.113 177.425 177.584 -0.453 0.000 1.056 381 A CA 0.449 52.151 52.037 -0.557 0.000 0.693 381 A CB 0.179 18.649 19.000 -0.883 0.000 1.278 381 A HN 2.409 nan 8.150 nan 0.000 0.408 382 F N 0.114 120.026 119.950 -0.065 0.000 2.182 382 F HA -0.420 4.107 4.527 -0.000 0.000 0.318 382 F C 2.225 178.005 175.800 -0.033 0.000 0.130 382 F CA 1.340 59.312 58.000 -0.046 0.000 0.911 382 F CB -0.662 38.318 39.000 -0.033 0.000 4.132 382 F HN 0.835 nan 8.300 nan 0.000 0.139 383 K N 0.766 121.299 120.400 0.222 0.000 2.362 383 K HA -0.161 4.159 4.320 -0.000 0.000 0.202 383 K C 0.850 177.479 176.600 0.049 0.000 1.045 383 K CA 2.111 58.485 56.287 0.145 0.000 0.936 383 K CB -0.352 32.235 32.500 0.145 0.000 0.747 383 K HN 0.524 nan 8.250 nan 0.000 0.467 384 E N 1.284 121.483 120.200 -0.001 0.000 2.479 384 E HA 0.048 4.398 4.350 -0.000 0.000 0.193 384 E C 0.891 177.393 176.600 -0.164 0.000 1.049 384 E CA 0.362 56.709 56.400 -0.089 0.000 0.870 384 E CB 0.109 29.770 29.700 -0.065 0.000 0.944 384 E HN 0.455 nan 8.360 nan 0.000 0.492 385 G N 1.853 110.559 108.800 -0.156 0.000 2.474 385 G HA2 0.194 4.154 3.960 -0.000 0.000 0.233 385 G HA3 0.194 4.154 3.960 -0.000 0.000 0.233 385 G C 0.078 174.845 174.900 -0.222 0.000 1.278 385 G CA 0.481 45.472 45.100 -0.181 0.000 0.861 385 G HN 0.191 nan 8.290 nan 0.000 0.567 386 S N 0.243 115.823 115.700 -0.200 0.000 2.595 386 S HA 0.533 5.002 4.470 -0.000 0.000 0.270 386 S C -1.002 173.484 174.600 -0.189 0.000 1.145 386 S CA -1.062 57.011 58.200 -0.212 0.000 0.825 386 S CB 0.995 64.058 63.200 -0.228 0.000 1.107 386 S HN 0.621 nan 8.310 nan 0.000 0.461 387 L N 1.208 122.310 121.223 -0.202 0.000 2.334 387 L HA 0.716 5.055 4.340 -0.000 0.000 0.275 387 L C -0.005 176.706 176.870 -0.265 0.000 1.036 387 L CA -0.962 53.740 54.840 -0.231 0.000 0.807 387 L CB 1.032 42.941 42.059 -0.250 0.000 1.231 387 L HN 0.521 nan 8.230 nan 0.000 0.438 388 R N 2.903 123.249 120.500 -0.258 0.000 2.439 388 R HA 0.504 4.844 4.340 -0.000 0.000 0.310 388 R C -1.112 175.022 176.300 -0.276 0.000 0.955 388 R CA -0.758 55.188 56.100 -0.256 0.000 0.853 388 R CB 1.676 31.857 30.300 -0.199 0.000 1.171 388 R HN 0.432 nan 8.270 nan 0.000 0.449 389 I N 4.691 125.073 120.570 -0.314 0.000 2.287 389 I HA 0.305 4.474 4.170 -0.000 0.000 0.290 389 I C 0.332 176.348 176.117 -0.168 0.000 1.069 389 I CA -0.027 61.120 61.300 -0.256 0.000 1.237 389 I CB 0.538 38.350 38.000 -0.313 0.000 1.418 389 I HN 0.370 nan 8.210 nan 0.000 0.481 390 I N 6.394 126.891 120.570 -0.122 0.000 2.312 390 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 390 I C 0.359 176.462 176.117 -0.023 0.000 1.031 390 I CA -0.341 60.910 61.300 -0.082 0.000 1.293 390 I CB 0.434 38.385 38.000 -0.082 0.000 1.403 390 I HN 0.487 nan 8.210 nan 0.000 0.484 391 R N 5.944 126.460 120.500 0.026 0.000 2.439 391 R HA 0.350 4.690 4.340 -0.000 0.000 0.310 391 R C -1.095 175.238 176.300 0.055 0.000 0.955 391 R CA -0.705 55.428 56.100 0.055 0.000 0.853 391 R CB 1.326 31.689 30.300 0.104 0.000 1.171 391 R HN 0.605 nan 8.270 nan 0.000 0.449 392 N N 1.503 120.218 118.700 0.025 0.000 2.488 392 N HA 0.382 5.122 4.740 -0.000 0.000 0.274 392 N C -0.514 174.994 175.510 -0.003 0.000 1.111 392 N CA 1.400 54.460 53.050 0.017 0.000 0.974 392 N CB 0.932 39.428 38.487 0.016 0.000 1.089 392 N HN 0.851 nan 8.380 nan 0.000 0.465 393 G N 1.680 110.475 108.800 -0.010 0.000 2.712 393 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 393 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 393 G C -0.626 174.243 174.900 -0.052 0.000 1.321 393 G CA -0.793 44.285 45.100 -0.036 0.000 0.813 393 G HN 0.579 nan 8.290 nan 0.000 0.599 394 I N 1.549 122.082 120.570 -0.062 0.000 2.428 394 I HA 0.575 4.745 4.170 -0.000 0.000 0.289 394 I C 1.290 177.342 176.117 -0.108 0.000 1.019 394 I CA 0.361 61.615 61.300 -0.077 0.000 1.351 394 I CB 1.391 39.379 38.000 -0.020 0.000 1.412 394 I HN 0.834 nan 8.210 nan 0.000 0.513 395 G N 5.465 114.175 108.800 -0.150 0.000 2.568 395 G HA2 0.745 4.705 3.960 -0.000 0.000 0.313 395 G HA3 0.745 4.705 3.960 -0.000 0.000 0.313 395 G C -1.008 173.775 174.900 -0.194 0.000 1.227 395 G CA -0.612 44.386 45.100 -0.169 0.000 0.979 395 G HN 0.549 nan 8.290 nan 0.000 0.486 396 I N -2.053 118.405 120.570 -0.187 0.000 2.441 396 I HA 0.474 4.644 4.170 -0.000 0.000 0.295 396 I C -0.594 175.376 176.117 -0.245 0.000 0.994 396 I CA -1.263 59.937 61.300 -0.166 0.000 1.144 396 I CB 1.711 39.663 38.000 -0.081 0.000 1.314 396 I HN 0.316 nan 8.210 nan 0.000 0.445 397 H N 4.357 123.367 119.070 -0.101 0.000 2.640 397 H HA 0.349 4.904 4.556 -0.000 0.000 0.297 397 H C -0.563 174.596 175.328 -0.282 0.000 1.073 397 H CA -0.359 55.588 56.048 -0.169 0.000 1.305 397 H CB 1.005 30.674 29.762 -0.156 0.000 1.404 397 H HN 0.794 nan 8.280 nan 0.000 0.459 398 E N 1.911 122.023 120.200 -0.147 0.000 2.231 398 E HA 0.231 4.580 4.350 -0.000 0.000 0.277 398 E C -0.337 176.100 176.600 -0.270 0.000 0.999 398 E CA -0.343 55.950 56.400 -0.177 0.000 0.827 398 E CB 1.281 30.933 29.700 -0.079 0.000 1.101 398 E HN 0.599 nan 8.360 nan 0.000 0.393 399 H N 1.880 120.964 119.070 0.025 0.000 2.274 399 H HA 0.495 5.050 4.556 -0.000 0.000 0.271 399 H C -0.310 175.050 175.328 0.053 0.000 0.945 399 H CA 0.313 56.407 56.048 0.076 0.000 1.200 399 H CB 0.914 30.778 29.762 0.170 0.000 1.456 399 H HN 0.616 nan 8.280 nan 0.000 0.536 400 A N -0.071 122.786 122.820 0.062 0.000 2.401 400 A HA 0.654 4.973 4.320 -0.000 0.000 0.310 400 A C -0.816 176.751 177.584 -0.027 0.000 1.075 400 A CA -0.527 51.523 52.037 0.020 0.000 0.746 400 A CB 1.611 20.604 19.000 -0.011 0.000 1.277 400 A HN 0.144 nan 8.150 nan 0.000 0.425 401 S N 1.310 117.010 115.700 -0.000 0.000 2.279 401 S HA 0.473 4.943 4.470 -0.000 0.000 0.176 401 S C -1.016 173.587 174.600 0.005 0.000 1.554 401 S CA -0.337 57.859 58.200 -0.006 0.000 1.242 401 S CB -0.733 62.467 63.200 0.000 0.000 1.163 401 S HN 0.481 nan 8.310 nan 0.000 0.449 402 I N 2.572 123.143 120.570 0.002 0.000 2.365 402 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 402 I C 0.589 176.721 176.117 0.025 0.000 1.004 402 I CA -0.284 61.027 61.300 0.018 0.000 1.311 402 I CB 0.826 38.839 38.000 0.022 0.000 1.401 402 I HN 0.364 nan 8.210 nan 0.000 0.491 403 D N 7.765 128.185 120.400 0.033 0.000 2.517 403 D HA 0.231 4.871 4.640 -0.000 0.000 0.220 403 D C -0.913 175.423 176.300 0.060 0.000 1.158 403 D CA -0.075 53.947 54.000 0.036 0.000 0.992 403 D CB 0.237 41.055 40.800 0.031 0.000 1.058 403 D HN 0.373 nan 8.370 nan 0.000 0.516 404 L N 4.751 126.015 121.223 0.068 0.000 2.324 404 L HA 0.377 4.717 4.340 -0.000 0.000 0.274 404 L C -2.363 174.523 176.870 0.027 0.000 1.012 404 L CA -1.933 52.977 54.840 0.118 0.000 0.859 404 L CB 1.723 43.902 42.059 0.201 0.000 1.224 404 L HN -0.006 nan 8.230 nan 0.000 0.429 405 P HA 0.280 nan 4.420 nan 0.000 0.287 405 P C 0.617 177.766 177.300 -0.251 0.000 1.281 405 P CA 0.032 63.083 63.100 -0.081 0.000 0.781 405 P CB 1.444 33.123 31.700 -0.034 0.000 0.903 406 G N 2.997 111.648 108.800 -0.249 0.000 2.392 406 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 406 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 406 G C -0.244 174.369 174.900 -0.480 0.000 1.097 406 G CA -0.651 44.243 45.100 -0.342 0.000 0.840 406 G HN 0.435 nan 8.290 nan 0.000 0.492 407 I N -0.136 120.277 120.570 -0.261 0.000 2.519 407 I HA 0.357 4.527 4.170 -0.000 0.000 0.287 407 I C 1.156 177.201 176.117 -0.121 0.000 1.047 407 I CA -0.566 60.631 61.300 -0.171 0.000 1.381 407 I CB 1.191 39.162 38.000 -0.048 0.000 1.417 407 I HN -0.066 nan 8.210 nan 0.000 0.540 408 K N 3.584 123.839 120.400 -0.243 0.000 2.402 408 K HA 0.403 4.722 4.320 -0.000 0.000 0.203 408 K C 0.267 176.253 176.600 -1.025 0.000 1.077 408 K CA -0.033 55.947 56.287 -0.511 0.000 1.051 408 K CB 1.580 33.948 32.500 -0.221 0.000 0.907 408 K HN 0.913 nan 8.250 nan 0.000 0.554 409 G N 1.050 109.435 108.800 -0.691 0.000 2.356 409 G HA2 0.467 4.426 3.960 -0.000 0.000 0.294 409 G HA3 0.467 4.426 3.960 -0.000 0.000 0.294 409 G C -2.221 172.227 174.900 -0.753 0.000 1.423 409 G CA -0.899 43.687 45.100 -0.857 0.000 0.806 409 G HN 0.007 nan 8.290 nan 0.000 0.527 410 L N -3.248 117.252 121.223 -1.205 0.000 2.591 410 L HA 0.836 5.176 4.340 -0.000 0.000 0.257 410 L C -1.355 175.002 176.870 -0.854 0.000 0.935 410 L CA -1.116 53.287 54.840 -0.729 0.000 0.873 410 L CB 1.492 43.371 42.059 -0.301 0.000 1.397 410 L HN 0.721 nan 8.230 nan 0.000 0.414 411 W N 0.437 121.661 121.300 -0.126 0.000 3.032 411 W HA 0.534 5.194 4.660 -0.001 0.000 0.335 411 W C -2.568 173.866 176.519 -0.142 0.000 1.154 411 W CA -1.619 55.624 57.345 -0.171 0.000 1.204 411 W CB 2.340 31.605 29.460 -0.325 0.000 1.416 411 W HN 0.240 nan 8.180 nan 0.000 0.521 412 P HA 0.177 nan 4.420 nan 0.000 0.268 412 P C -0.737 176.598 177.300 0.058 0.000 1.204 412 P CA 0.252 63.295 63.100 -0.095 0.000 0.768 412 P CB 0.731 32.248 31.700 -0.305 0.000 0.842 413 L N 3.263 124.562 121.223 0.127 0.000 2.465 413 L HA 0.644 4.984 4.340 -0.000 0.000 0.257 413 L C -0.860 176.143 176.870 0.221 0.000 0.988 413 L CA -0.638 54.306 54.840 0.175 0.000 0.827 413 L CB 2.102 44.223 42.059 0.104 0.000 1.397 413 L HN 0.421 nan 8.230 nan 0.000 0.410 414 R N 0.661 121.251 120.500 0.149 0.000 2.673 414 R HA 0.630 4.969 4.340 -0.000 0.000 0.281 414 R C -0.853 175.462 176.300 0.026 0.000 0.991 414 R CA -0.638 55.513 56.100 0.085 0.000 0.896 414 R CB 1.636 31.963 30.300 0.045 0.000 1.201 414 R HN 0.413 nan 8.270 nan 0.000 0.457 415 S N 0.856 116.557 115.700 0.003 0.000 2.561 415 S HA 0.149 4.619 4.470 -0.000 0.000 0.245 415 S C -0.757 173.831 174.600 -0.020 0.000 1.001 415 S CA -0.316 57.871 58.200 -0.021 0.000 1.002 415 S CB -0.167 63.014 63.200 -0.032 0.000 0.805 415 S HN 0.609 nan 8.310 nan 0.000 0.458 416 D N 0.581 120.970 120.400 -0.017 0.000 2.861 416 D HA 0.252 4.892 4.640 -0.000 0.000 0.216 416 D C -2.591 173.694 176.300 -0.026 0.000 1.323 416 D CA -1.227 52.760 54.000 -0.022 0.000 0.917 416 D CB 2.243 43.027 40.800 -0.027 0.000 1.582 416 D HN -0.085 nan 8.370 nan 0.000 0.576 417 P HA -0.040 nan 4.420 nan 0.000 0.225 417 P C 0.914 178.192 177.300 -0.036 0.000 1.148 417 P CA 0.629 63.716 63.100 -0.022 0.000 0.779 417 P CB 0.564 32.256 31.700 -0.014 0.000 0.780 418 N N 0.379 119.056 118.700 -0.038 0.000 2.085 418 N HA -0.059 4.680 4.740 -0.000 0.000 0.191 418 N C 0.800 176.273 175.510 -0.061 0.000 1.058 418 N CA 0.821 53.846 53.050 -0.042 0.000 0.849 418 N CB -0.831 37.636 38.487 -0.034 0.000 1.038 418 N HN 0.253 nan 8.380 nan 0.000 0.434 419 R N 1.706 122.165 120.500 -0.068 0.000 2.442 419 R HA 0.189 4.529 4.340 -0.000 0.000 0.291 419 R C 0.137 176.340 176.300 -0.161 0.000 1.069 419 R CA 0.161 56.205 56.100 -0.094 0.000 1.022 419 R CB 0.351 30.605 30.300 -0.076 0.000 0.976 419 R HN 0.225 nan 8.270 nan 0.000 0.443 420 E N 1.307 121.382 120.200 -0.208 0.000 2.489 420 E HA -0.046 4.303 4.350 -0.000 0.000 0.193 420 E C -0.079 176.172 176.600 -0.583 0.000 1.057 420 E CA 0.493 56.655 56.400 -0.396 0.000 0.866 420 E CB 0.445 29.980 29.700 -0.276 0.000 0.916 420 E HN 0.773 nan 8.360 nan 0.000 0.500 421 T N -0.244 114.137 114.554 -0.289 0.000 3.842 421 T HA 0.044 4.393 4.350 -0.000 0.000 0.267 421 T C -0.066 174.583 174.700 -0.085 0.000 1.173 421 T CA -0.588 61.423 62.100 -0.149 0.000 1.142 421 T CB -1.078 67.758 68.868 -0.053 0.000 1.191 421 T HN -0.029 nan 8.240 nan 0.000 0.895 422 Y N 2.558 122.875 120.300 0.027 0.000 2.805 422 Y HA -0.016 4.534 4.550 -0.000 0.000 0.390 422 Y C 1.140 177.058 175.900 0.029 0.000 1.359 422 Y CA -0.401 57.718 58.100 0.031 0.000 1.748 422 Y CB -0.871 37.614 38.460 0.042 0.000 1.211 422 Y HN 0.713 nan 8.280 nan 0.000 0.500 423 D N -0.628 119.842 120.400 0.117 0.000 2.336 423 D HA 0.102 4.742 4.640 -0.000 0.000 0.228 423 D C -0.204 176.138 176.300 0.070 0.000 1.120 423 D CA -0.092 53.954 54.000 0.075 0.000 0.839 423 D CB 0.215 41.031 40.800 0.026 0.000 0.932 423 D HN 0.345 nan 8.370 nan 0.000 0.509 424 T N -0.522 114.088 114.554 0.093 0.000 2.853 424 T HA 0.561 4.911 4.350 -0.000 0.000 0.311 424 T C -1.557 173.189 174.700 0.077 0.000 1.307 424 T CA -0.809 61.328 62.100 0.062 0.000 1.019 424 T CB 2.074 70.955 68.868 0.021 0.000 1.264 424 T HN 0.071 nan 8.240 nan 0.000 0.497 425 L N 1.637 122.895 121.223 0.059 0.000 2.543 425 L HA 0.710 5.050 4.340 -0.000 0.000 0.265 425 L C -1.669 175.251 176.870 0.083 0.000 0.945 425 L CA -0.521 54.360 54.840 0.068 0.000 0.869 425 L CB 1.893 43.979 42.059 0.045 0.000 1.294 425 L HN 0.565 nan 8.230 nan 0.000 0.405 426 V N 5.308 125.305 119.914 0.138 0.000 2.398 426 V HA 0.537 4.657 4.120 -0.000 0.000 0.286 426 V C -0.354 175.887 176.094 0.246 0.000 1.026 426 V CA -0.588 61.824 62.300 0.186 0.000 0.868 426 V CB 1.539 33.512 31.823 0.250 0.000 0.982 426 V HN 0.647 nan 8.190 nan 0.000 0.443 427 L N 3.011 124.350 121.223 0.193 0.000 2.334 427 L HA 0.801 5.141 4.340 -0.000 0.000 0.272 427 L C 0.094 177.102 176.870 0.231 0.000 1.020 427 L CA -0.408 54.540 54.840 0.181 0.000 0.812 427 L CB 1.657 43.787 42.059 0.118 0.000 1.264 427 L HN 0.450 nan 8.230 nan 0.000 0.439 428 S N 1.359 117.181 115.700 0.203 0.000 2.489 428 S HA 0.623 5.092 4.470 -0.000 0.000 0.277 428 S C -0.591 174.091 174.600 0.137 0.000 1.230 428 S CA -0.285 58.010 58.200 0.158 0.000 1.053 428 S CB -0.221 63.055 63.200 0.126 0.000 0.955 428 S HN 0.514 nan 8.310 nan 0.000 0.488 429 F N 3.355 123.293 119.950 -0.020 0.000 2.611 429 F HA 0.517 5.043 4.527 -0.000 0.000 0.374 429 F C 0.158 175.946 175.800 -0.020 0.000 1.110 429 F CA -1.052 56.938 58.000 -0.016 0.000 1.090 429 F CB 1.222 40.220 39.000 -0.004 0.000 1.388 429 F HN 0.301 nan 8.300 nan 0.000 0.501 430 V N 3.067 122.925 119.914 -0.095 0.000 2.220 430 V HA 0.166 4.285 4.120 -0.000 0.000 0.236 430 V C 0.840 176.981 176.094 0.077 0.000 1.314 430 V CA 0.963 63.240 62.300 -0.039 0.000 1.349 430 V CB -1.150 30.618 31.823 -0.093 0.000 1.428 430 V HN 1.087 nan 8.190 nan 0.000 0.495 431 G N 2.410 111.240 108.800 0.049 0.000 2.162 431 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.260 431 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.260 431 G C 0.091 175.020 174.900 0.049 0.000 0.976 431 G CA 0.725 45.844 45.100 0.032 0.000 0.655 431 G HN 0.638 nan 8.290 nan 0.000 0.533 432 Q N -1.206 118.664 119.800 0.117 0.000 2.873 432 Q HA 0.774 5.114 4.340 -0.000 0.000 0.297 432 Q C -0.999 175.059 176.000 0.095 0.000 1.064 432 Q CA -0.375 55.487 55.803 0.099 0.000 0.816 432 Q CB 1.819 30.632 28.738 0.126 0.000 1.481 432 Q HN 0.226 nan 8.270 nan 0.000 0.488 433 T N 1.294 115.869 114.554 0.034 0.000 3.109 433 T HA 0.459 4.809 4.350 -0.000 0.000 0.311 433 T C -1.273 173.411 174.700 -0.026 0.000 1.011 433 T CA -0.769 61.355 62.100 0.041 0.000 1.026 433 T CB 1.095 69.987 68.868 0.039 0.000 1.047 433 T HN 0.274 nan 8.240 nan 0.000 0.448 434 R N 2.010 122.474 120.500 -0.060 0.000 2.562 434 R HA 0.635 4.974 4.340 -0.000 0.000 0.298 434 R C -0.505 175.788 176.300 -0.012 0.000 0.961 434 R CA -0.731 55.307 56.100 -0.103 0.000 0.881 434 R CB 1.976 32.109 30.300 -0.278 0.000 1.159 434 R HN 0.487 nan 8.270 nan 0.000 0.450 435 V N 4.538 124.447 119.914 -0.008 0.000 2.686 435 V HA 0.267 4.386 4.120 -0.000 0.000 0.295 435 V C 0.608 176.701 176.094 -0.001 0.000 1.055 435 V CA -0.229 62.074 62.300 0.006 0.000 1.050 435 V CB 0.861 32.671 31.823 -0.021 0.000 0.984 435 V HN 0.495 nan 8.190 nan 0.000 0.482 436 L N 5.294 126.526 121.223 0.014 0.000 2.454 436 L HA 0.506 4.846 4.340 -0.000 0.000 0.258 436 L C -0.424 176.458 176.870 0.020 0.000 1.025 436 L CA 0.015 54.866 54.840 0.019 0.000 0.901 436 L CB 1.223 43.301 42.059 0.032 0.000 1.210 436 L HN 0.625 nan 8.230 nan 0.000 0.457 437 M N 2.840 122.444 119.600 0.008 0.000 2.367 437 M HA 0.551 5.031 4.480 -0.000 0.000 0.339 437 M C -1.125 175.190 176.300 0.024 0.000 1.177 437 M CA -0.406 54.899 55.300 0.009 0.000 1.068 437 M CB 1.683 34.275 32.600 -0.013 0.000 1.602 437 M HN 0.389 nan 8.290 nan 0.000 0.457 438 L N 3.401 124.645 121.223 0.034 0.000 2.305 438 L HA 0.329 4.668 4.340 -0.000 0.000 0.284 438 L C 0.512 177.393 176.870 0.018 0.000 1.013 438 L CA -0.512 54.354 54.840 0.044 0.000 0.819 438 L CB 1.296 43.401 42.059 0.077 0.000 1.227 438 L HN 0.733 nan 8.230 nan 0.000 0.417 439 N N 1.710 120.417 118.700 0.011 0.000 2.571 439 N HA 0.039 4.779 4.740 -0.000 0.000 0.189 439 N C 0.784 176.283 175.510 -0.019 0.000 1.154 439 N CA 1.194 54.241 53.050 -0.004 0.000 0.907 439 N CB 0.420 38.905 38.487 -0.003 0.000 0.977 439 N HN 0.891 nan 8.380 nan 0.000 0.449 440 G N -0.214 108.573 108.800 -0.021 0.000 1.745 440 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.063 440 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.063 440 G C 0.086 174.916 174.900 -0.116 0.000 1.838 440 G CA -0.149 44.908 45.100 -0.071 0.000 1.210 440 G HN 0.295 nan 8.290 nan 0.000 0.375 441 E N 1.310 121.429 120.200 -0.135 0.000 2.501 441 E HA 0.229 4.579 4.350 -0.000 0.000 0.200 441 E C -0.303 176.343 176.600 0.076 0.000 1.016 441 E CA -0.074 56.250 56.400 -0.126 0.000 0.921 441 E CB 0.671 30.230 29.700 -0.235 0.000 1.034 441 E HN 0.477 nan 8.360 nan 0.000 0.468 442 E N 1.396 121.626 120.200 0.050 0.000 2.146 442 E HA 0.188 4.538 4.350 -0.000 0.000 0.282 442 E C -0.675 175.968 176.600 0.072 0.000 0.989 442 E CA -0.391 56.044 56.400 0.057 0.000 0.799 442 E CB 2.310 32.025 29.700 0.026 0.000 1.088 442 E HN -0.105 nan 8.360 nan 0.000 0.397 443 V N 3.828 123.787 119.914 0.074 0.000 2.427 443 V HA 0.075 4.195 4.120 -0.000 0.000 0.268 443 V C 0.185 176.300 176.094 0.035 0.000 1.046 443 V CA 0.201 62.537 62.300 0.060 0.000 0.970 443 V CB 0.544 32.400 31.823 0.055 0.000 1.001 443 V HN 0.660 nan 8.190 nan 0.000 0.476 444 E N 4.097 124.313 120.200 0.026 0.000 2.216 444 E HA 0.458 4.808 4.350 -0.000 0.000 0.260 444 E C -0.789 175.811 176.600 -0.001 0.000 0.880 444 E CA -0.691 55.716 56.400 0.011 0.000 0.765 444 E CB 1.303 31.008 29.700 0.008 0.000 1.174 444 E HN 0.868 nan 8.360 nan 0.000 0.417 445 E N 2.686 122.879 120.200 -0.011 0.000 2.063 445 E HA 0.311 4.661 4.350 -0.000 0.000 0.265 445 E C -0.393 176.188 176.600 -0.031 0.000 0.919 445 E CA -0.631 55.753 56.400 -0.028 0.000 0.756 445 E CB 1.377 31.049 29.700 -0.047 0.000 1.120 445 E HN 0.389 nan 8.360 nan 0.000 0.414 446 T N 0.211 114.748 114.554 -0.029 0.000 2.644 446 T HA 0.538 4.888 4.350 -0.000 0.000 0.253 446 T C -0.172 174.510 174.700 -0.029 0.000 0.910 446 T CA -0.980 61.103 62.100 -0.028 0.000 1.066 446 T CB 0.438 69.291 68.868 -0.024 0.000 1.484 446 T HN 0.568 nan 8.240 nan 0.000 0.560 447 E N -0.138 120.048 120.200 -0.024 0.000 2.221 447 E HA 0.681 5.030 4.350 -0.000 0.000 0.268 447 E C -1.585 174.997 176.600 -0.029 0.000 0.933 447 E CA -1.125 55.266 56.400 -0.016 0.000 0.809 447 E CB 1.609 31.305 29.700 -0.007 0.000 1.190 447 E HN 0.405 nan 8.360 nan 0.000 0.406 448 L N 2.659 123.865 121.223 -0.028 0.000 2.381 448 L HA 0.361 4.700 4.340 -0.000 0.000 0.274 448 L C -0.769 176.090 176.870 -0.018 0.000 0.988 448 L CA -0.900 53.892 54.840 -0.080 0.000 0.824 448 L CB 1.923 43.843 42.059 -0.232 0.000 1.263 448 L HN 0.712 nan 8.230 nan 0.000 0.410 449 M N 4.343 123.932 119.600 -0.018 0.000 2.252 449 M HA 0.227 4.707 4.480 -0.000 0.000 0.348 449 M C 1.310 177.664 176.300 0.090 0.000 1.334 449 M CA 0.872 56.190 55.300 0.031 0.000 1.071 449 M CB -0.388 32.220 32.600 0.013 0.000 1.763 449 M HN 0.912 nan 8.290 nan 0.000 0.452 450 G N 2.829 111.712 108.800 0.139 0.000 2.143 450 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.249 450 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.249 450 G C -0.502 174.630 174.900 0.387 0.000 0.981 450 G CA -0.449 44.775 45.100 0.206 0.000 0.665 450 G HN 0.549 nan 8.290 nan 0.000 0.528 451 F N 0.742 120.690 119.950 -0.003 0.000 2.493 451 F HA 0.575 5.102 4.527 -0.000 0.000 0.329 451 F C 0.611 176.405 175.800 -0.011 0.000 1.126 451 F CA -1.461 56.535 58.000 -0.008 0.000 0.937 451 F CB 2.034 41.027 39.000 -0.011 0.000 1.146 451 F HN 0.300 nan 8.300 nan 0.000 0.442 452 V N 0.535 120.469 119.914 0.033 0.000 2.530 452 V HA 0.395 4.515 4.120 -0.000 0.000 0.282 452 V C -0.336 175.769 176.094 0.018 0.000 1.048 452 V CA -0.330 61.978 62.300 0.014 0.000 0.997 452 V CB 1.194 33.001 31.823 -0.027 0.000 0.987 452 V HN 0.733 nan 8.190 nan 0.000 0.477 453 D N 1.607 122.019 120.400 0.021 0.000 2.479 453 D HA 0.158 4.798 4.640 -0.000 0.000 0.218 453 D C 0.277 176.573 176.300 -0.007 0.000 1.177 453 D CA 0.425 54.432 54.000 0.011 0.000 0.830 453 D CB 0.471 41.277 40.800 0.010 0.000 1.014 453 D HN 0.936 nan 8.370 nan 0.000 0.503 454 D N -1.506 118.891 120.400 -0.006 0.000 2.520 454 D HA 0.037 4.677 4.640 -0.000 0.000 0.223 454 D C 0.617 176.913 176.300 -0.007 0.000 1.186 454 D CA -0.119 53.879 54.000 -0.003 0.000 0.821 454 D CB 0.310 41.110 40.800 -0.000 0.000 1.072 454 D HN -0.112 nan 8.370 nan 0.000 0.518 455 Q N 0.338 120.124 119.800 -0.023 0.000 2.207 455 Q HA 0.305 4.645 4.340 -0.000 0.000 0.237 455 Q C -0.565 175.388 176.000 -0.077 0.000 0.998 455 Q CA -0.516 55.259 55.803 -0.046 0.000 0.951 455 Q CB 1.360 30.064 28.738 -0.056 0.000 1.213 455 Q HN 0.202 nan 8.270 nan 0.000 0.499 456 Q N 0.911 120.620 119.800 -0.151 0.000 2.347 456 Q HA 0.279 4.619 4.340 -0.000 0.000 0.262 456 Q C -1.064 174.673 176.000 -0.438 0.000 0.980 456 Q CA -0.171 55.489 55.803 -0.239 0.000 0.867 456 Q CB 1.022 29.603 28.738 -0.261 0.000 1.242 456 Q HN 0.494 nan 8.270 nan 0.000 0.453 457 T N 4.336 118.722 114.554 -0.280 0.000 2.919 457 T HA 0.140 4.490 4.350 -0.000 0.000 0.302 457 T C 0.289 174.814 174.700 -0.291 0.000 1.031 457 T CA 0.034 61.973 62.100 -0.269 0.000 1.127 457 T CB 0.285 69.071 68.868 -0.137 0.000 0.952 457 T HN 0.452 nan 8.240 nan 0.000 0.540 458 F N 0.544 120.480 119.950 -0.025 0.000 2.553 458 F HA 0.471 4.997 4.527 -0.000 0.000 0.282 458 F C 0.286 176.062 175.800 -0.040 0.000 1.089 458 F CA -0.482 57.555 58.000 0.062 0.000 1.411 458 F CB 0.326 39.373 39.000 0.079 0.000 1.125 458 F HN 0.503 nan 8.300 nan 0.000 0.610 459 F N -1.272 118.439 119.950 -0.399 0.000 2.645 459 F HA 0.512 5.039 4.527 -0.000 0.000 0.310 459 F C -1.099 174.068 175.800 -1.056 0.000 1.102 459 F CA -1.586 55.816 58.000 -0.995 0.000 0.952 459 F CB 1.937 40.677 39.000 -0.432 0.000 1.326 459 F HN -0.271 nan 8.300 nan 0.000 0.456 460 C N 4.212 122.235 119.300 -2.127 0.000 2.890 460 C HA 0.637 5.096 4.460 -0.000 0.000 0.264 460 C C 0.099 174.586 174.990 -0.838 0.000 0.934 460 C CA 0.104 58.520 59.018 -1.003 0.000 1.016 460 C CB -1.163 26.263 27.740 -0.523 0.000 1.704 460 C HN 1.152 nan 8.230 nan 0.000 0.671 461 G N 1.222 109.521 108.800 -0.836 0.000 2.568 461 G HA2 0.371 4.331 3.960 -0.000 0.000 0.293 461 G HA3 0.371 4.331 3.960 -0.000 0.000 0.293 461 G C -0.366 174.580 174.900 0.077 0.000 1.347 461 G CA -0.495 44.454 45.100 -0.251 0.000 1.039 461 G HN 0.667 nan 8.290 nan 0.000 0.523 462 N N 0.442 119.235 118.700 0.156 0.000 2.918 462 N HA 0.319 5.059 4.740 -0.000 0.000 0.247 462 N C -0.041 175.567 175.510 0.163 0.000 1.117 462 N CA -0.473 52.674 53.050 0.161 0.000 1.005 462 N CB 1.109 39.704 38.487 0.181 0.000 1.297 462 N HN 0.405 nan 8.380 nan 0.000 0.513 463 V N 0.821 120.825 119.914 0.151 0.000 2.415 463 V HA 0.547 4.666 4.120 -0.000 0.000 0.267 463 V C 0.887 177.063 176.094 0.136 0.000 1.042 463 V CA -1.057 61.319 62.300 0.126 0.000 1.000 463 V CB 0.066 31.943 31.823 0.091 0.000 1.015 463 V HN 0.389 nan 8.190 nan 0.000 0.478 464 A N 3.700 126.622 122.820 0.171 0.000 2.292 464 A HA 0.561 4.881 4.320 -0.000 0.000 0.265 464 A C 0.738 178.532 177.584 0.350 0.000 1.133 464 A CA 0.257 52.419 52.037 0.209 0.000 0.807 464 A CB -0.510 18.605 19.000 0.192 0.000 1.102 464 A HN 1.647 nan 8.150 nan 0.000 0.502 465 H N -1.732 117.358 119.070 0.033 0.000 2.984 465 H HA -0.106 4.450 4.556 -0.000 0.000 0.297 465 H C -0.188 175.161 175.328 0.035 0.000 1.295 465 H CA 0.886 56.954 56.048 0.033 0.000 1.158 465 H CB -2.607 27.176 29.762 0.034 0.000 1.361 465 H HN 0.777 nan 8.280 nan 0.000 0.416 466 Q N -1.115 118.743 119.800 0.097 0.000 2.443 466 Q HA -0.264 4.076 4.340 -0.000 0.000 0.362 466 Q C -0.380 175.670 176.000 0.083 0.000 1.423 466 Q CA 1.305 57.151 55.803 0.071 0.000 1.037 466 Q CB -0.556 28.212 28.738 0.051 0.000 1.208 466 Q HN 0.736 nan 8.270 nan 0.000 0.334 467 Q N 0.223 120.076 119.800 0.088 0.000 2.527 467 Q HA 0.667 5.006 4.340 -0.000 0.000 0.280 467 Q C -1.503 174.562 176.000 0.108 0.000 0.977 467 Q CA -0.697 55.162 55.803 0.094 0.000 0.837 467 Q CB 1.757 30.550 28.738 0.092 0.000 1.454 467 Q HN 0.373 nan 8.270 nan 0.000 0.387 468 L N 2.433 123.739 121.223 0.139 0.000 2.376 468 L HA 0.634 4.973 4.340 -0.000 0.000 0.275 468 L C -0.912 176.133 176.870 0.292 0.000 0.987 468 L CA -0.596 54.368 54.840 0.207 0.000 0.828 468 L CB 1.736 43.895 42.059 0.167 0.000 1.249 468 L HN 0.545 nan 8.230 nan 0.000 0.409 469 I N 2.783 123.482 120.570 0.216 0.000 2.437 469 I HA 0.324 4.493 4.170 -0.000 0.000 0.298 469 I C -0.479 175.586 176.117 -0.086 0.000 0.984 469 I CA -0.002 61.350 61.300 0.087 0.000 1.214 469 I CB 1.544 39.604 38.000 0.101 0.000 1.365 469 I HN 0.717 nan 8.210 nan 0.000 0.469 470 Q N 8.273 127.900 119.800 -0.289 0.000 3.021 470 Q HA 0.387 4.727 4.340 -0.000 0.000 0.234 470 Q C -1.547 174.298 176.000 -0.258 0.000 0.930 470 Q CA -0.534 54.969 55.803 -0.501 0.000 0.714 470 Q CB 0.962 28.968 28.738 -1.219 0.000 1.325 470 Q HN 0.633 nan 8.270 nan 0.000 0.473 471 I N 1.918 122.421 120.570 -0.111 0.000 2.496 471 I HA 0.268 4.438 4.170 -0.000 0.000 0.285 471 I C 0.460 176.603 176.117 0.043 0.000 1.080 471 I CA 0.196 61.505 61.300 0.016 0.000 1.404 471 I CB 1.181 39.237 38.000 0.093 0.000 1.403 471 I HN 0.411 nan 8.210 nan 0.000 0.539 472 T N 2.263 116.873 114.554 0.093 0.000 2.816 472 T HA 0.248 4.598 4.350 -0.000 0.000 0.299 472 T C 0.931 175.750 174.700 0.198 0.000 1.230 472 T CA -0.311 61.801 62.100 0.020 0.000 1.007 472 T CB 1.699 70.495 68.868 -0.120 0.000 1.289 472 T HN 0.620 nan 8.240 nan 0.000 0.508 473 S N 0.875 116.638 115.700 0.105 0.000 2.433 473 S HA -0.294 4.176 4.470 -0.000 0.000 0.276 473 S C 1.933 176.672 174.600 0.230 0.000 1.122 473 S CA 2.553 60.926 58.200 0.288 0.000 1.277 473 S CB -1.129 62.133 63.200 0.103 0.000 1.198 473 S HN 0.957 nan 8.310 nan 0.000 0.440 474 A N 0.906 123.800 122.820 0.124 0.000 2.172 474 A HA 0.369 4.689 4.320 -0.000 0.000 0.215 474 A C 1.280 178.931 177.584 0.112 0.000 1.610 474 A CA 0.700 52.793 52.037 0.095 0.000 0.606 474 A CB -1.031 17.994 19.000 0.042 0.000 1.182 474 A HN 0.685 nan 8.150 nan 0.000 0.499 475 S N -1.107 114.636 115.700 0.072 0.000 2.632 475 S HA 0.440 4.910 4.470 -0.000 0.000 0.267 475 S C -0.291 174.374 174.600 0.110 0.000 1.276 475 S CA -0.041 58.214 58.200 0.091 0.000 0.998 475 S CB 1.293 64.512 63.200 0.032 0.000 0.953 475 S HN 1.344 nan 8.310 nan 0.000 0.547 476 V N 3.037 123.048 119.914 0.162 0.000 2.294 476 V HA 0.430 4.550 4.120 -0.000 0.000 0.272 476 V C 0.246 176.372 176.094 0.052 0.000 1.027 476 V CA -0.728 61.624 62.300 0.087 0.000 0.823 476 V CB -0.065 31.804 31.823 0.078 0.000 1.030 476 V HN 0.922 nan 8.190 nan 0.000 0.457 477 R N 4.176 124.658 120.500 -0.030 0.000 2.747 477 R HA 0.618 4.957 4.340 -0.000 0.000 0.278 477 R C -1.129 175.163 176.300 -0.014 0.000 1.153 477 R CA -0.535 55.546 56.100 -0.031 0.000 1.206 477 R CB 0.743 30.992 30.300 -0.085 0.000 1.161 477 R HN 0.605 nan 8.270 nan 0.000 0.589 478 L N -0.132 121.114 121.223 0.039 0.000 2.505 478 L HA 0.400 4.740 4.340 -0.000 0.000 0.259 478 L C -1.458 175.494 176.870 0.137 0.000 0.952 478 L CA -0.523 54.369 54.840 0.085 0.000 0.840 478 L CB 2.454 44.554 42.059 0.069 0.000 1.358 478 L HN 0.294 nan 8.230 nan 0.000 0.409 479 V N 1.667 121.692 119.914 0.185 0.000 3.040 479 V HA 0.790 4.910 4.120 -0.000 0.000 0.312 479 V C -0.225 175.934 176.094 0.107 0.000 1.115 479 V CA -0.504 61.890 62.300 0.157 0.000 0.998 479 V CB 2.130 34.069 31.823 0.193 0.000 1.042 479 V HN 0.821 nan 8.190 nan 0.000 0.433 480 S N 0.239 115.982 115.700 0.072 0.000 2.801 480 S HA 0.443 4.913 4.470 -0.000 0.000 0.312 480 S C 0.020 174.642 174.600 0.036 0.000 1.112 480 S CA -0.600 57.634 58.200 0.058 0.000 0.943 480 S CB 1.616 64.848 63.200 0.053 0.000 1.269 480 S HN 0.743 nan 8.310 nan 0.000 0.558 481 Q N 0.298 120.117 119.800 0.031 0.000 2.247 481 Q HA 0.259 4.599 4.340 -0.000 0.000 0.211 481 Q C 0.434 176.441 176.000 0.012 0.000 0.861 481 Q CA 0.239 56.051 55.803 0.016 0.000 0.949 481 Q CB 0.473 29.220 28.738 0.016 0.000 1.115 481 Q HN 0.502 nan 8.270 nan 0.000 0.507 482 E N 0.378 120.589 120.200 0.019 0.000 2.121 482 E HA 0.041 4.391 4.350 -0.000 0.000 0.194 482 E C -0.519 176.089 176.600 0.013 0.000 0.940 482 E CA 0.657 57.066 56.400 0.016 0.000 0.884 482 E CB -0.776 28.936 29.700 0.021 0.000 0.874 482 E HN 0.271 nan 8.360 nan 0.000 0.471 483 P HA 0.111 nan 4.420 nan 0.000 0.215 483 P C -0.412 176.896 177.300 0.013 0.000 1.144 483 P CA 0.475 63.584 63.100 0.016 0.000 0.874 483 P CB 0.456 32.168 31.700 0.021 0.000 0.796 484 K N -0.783 119.628 120.400 0.018 0.000 4.215 484 K HA 0.057 4.377 4.320 -0.000 0.000 0.318 484 K C -0.418 176.196 176.600 0.023 0.000 1.077 484 K CA 0.444 56.739 56.287 0.014 0.000 0.979 484 K CB -1.488 31.007 32.500 -0.009 0.000 1.497 484 K HN 0.432 nan 8.250 nan 0.000 0.436 485 A N 1.690 124.536 122.820 0.043 0.000 4.978 485 A HA 0.608 4.928 4.320 -0.000 0.000 0.137 485 A C -1.472 176.153 177.584 0.068 0.000 0.956 485 A CA -0.259 51.808 52.037 0.050 0.000 1.577 485 A CB 0.211 19.231 19.000 0.034 0.000 2.444 485 A HN 0.675 nan 8.150 nan 0.000 1.089 486 L N 1.815 123.070 121.223 0.053 0.000 2.328 486 L HA 0.476 4.816 4.340 -0.000 0.000 0.280 486 L C 0.492 177.390 176.870 0.046 0.000 1.111 486 L CA 0.082 54.953 54.840 0.052 0.000 0.909 486 L CB 0.622 42.703 42.059 0.036 0.000 1.277 486 L HN 0.409 nan 8.230 nan 0.000 0.433 487 V N 2.064 122.011 119.914 0.056 0.000 2.346 487 V HA 0.058 4.178 4.120 -0.000 0.000 0.244 487 V C 1.146 177.268 176.094 0.047 0.000 1.037 487 V CA 1.329 63.659 62.300 0.051 0.000 1.029 487 V CB -0.231 31.628 31.823 0.059 0.000 0.663 487 V HN 0.767 nan 8.190 nan 0.000 0.454 488 S N -2.257 113.475 115.700 0.052 0.000 2.688 488 S HA 0.605 5.075 4.470 -0.000 0.000 0.275 488 S C -1.554 173.079 174.600 0.055 0.000 1.175 488 S CA -0.637 57.593 58.200 0.050 0.000 0.818 488 S CB 2.239 65.473 63.200 0.057 0.000 1.157 488 S HN 0.470 nan 8.310 nan 0.000 0.482 489 E N -0.271 119.966 120.200 0.062 0.000 2.380 489 E HA 0.370 4.720 4.350 -0.000 0.000 0.281 489 E C -2.296 174.378 176.600 0.124 0.000 0.999 489 E CA -0.506 55.938 56.400 0.073 0.000 0.800 489 E CB 1.475 31.192 29.700 0.029 0.000 1.228 489 E HN 0.552 nan 8.360 nan 0.000 0.436 490 W N 2.974 124.242 121.300 -0.054 0.000 2.736 490 W HA 0.592 5.252 4.660 -0.001 0.000 0.335 490 W C -1.179 175.293 176.519 -0.078 0.000 1.059 490 W CA -0.424 56.876 57.345 -0.075 0.000 1.226 490 W CB 1.537 30.945 29.460 -0.086 0.000 1.416 490 W HN 0.311 nan 8.180 nan 0.000 0.505 491 K N 2.823 122.795 120.400 -0.713 0.000 2.464 491 K HA 0.205 4.525 4.320 -0.000 0.000 0.253 491 K C -0.793 175.066 176.600 -1.235 0.000 0.933 491 K CA -0.616 55.297 56.287 -0.624 0.000 0.801 491 K CB 1.804 34.077 32.500 -0.379 0.000 1.271 491 K HN 0.339 nan 8.250 nan 0.000 0.430 492 E N 4.227 123.984 120.200 -0.739 0.000 2.299 492 E HA 0.119 4.469 4.350 -0.000 0.000 0.272 492 E C -2.018 174.325 176.600 -0.428 0.000 1.043 492 E CA -1.723 54.311 56.400 -0.611 0.000 0.895 492 E CB 0.862 30.505 29.700 -0.095 0.000 1.011 492 E HN 0.289 nan 8.360 nan 0.000 0.432 493 P HA 0.029 nan 4.420 nan 0.000 0.262 493 P C -0.051 177.155 177.300 -0.156 0.000 1.647 493 P CA 0.535 63.466 63.100 -0.282 0.000 0.865 493 P CB 0.175 31.722 31.700 -0.256 0.000 1.834 494 Q N -1.527 118.195 119.800 -0.130 0.000 1.671 494 Q HA 0.193 4.533 4.340 -0.000 0.000 0.177 494 Q C 0.729 176.694 176.000 -0.058 0.000 0.680 494 Q CA 0.693 56.453 55.803 -0.071 0.000 0.748 494 Q CB 0.356 29.073 28.738 -0.035 0.000 1.198 494 Q HN 0.172 nan 8.270 nan 0.000 0.387 495 A N 1.165 123.942 122.820 -0.073 0.000 3.141 495 A HA -0.189 4.131 4.320 -0.000 0.000 0.242 495 A C 0.033 177.610 177.584 -0.012 0.000 1.313 495 A CA 1.152 53.161 52.037 -0.048 0.000 1.060 495 A CB -1.698 17.279 19.000 -0.039 0.000 1.153 495 A HN 0.128 nan 8.150 nan 0.000 0.847 496 K N 0.831 121.232 120.400 0.002 0.000 2.237 496 K HA 0.317 4.637 4.320 -0.000 0.000 0.270 496 K C 0.004 176.645 176.600 0.068 0.000 1.015 496 K CA -0.578 55.731 56.287 0.037 0.000 0.949 496 K CB 0.239 32.769 32.500 0.050 0.000 0.976 496 K HN 0.475 nan 8.250 nan 0.000 0.472 497 N N 2.572 121.319 118.700 0.080 0.000 2.514 497 N HA 0.136 4.876 4.740 -0.000 0.000 0.277 497 N C -0.021 175.565 175.510 0.128 0.000 1.126 497 N CA -0.079 53.040 53.050 0.115 0.000 0.978 497 N CB 0.626 39.185 38.487 0.120 0.000 1.106 497 N HN 0.361 nan 8.380 nan 0.000 0.461 498 I N 0.938 121.605 120.570 0.161 0.000 2.634 498 I HA -0.041 4.129 4.170 -0.000 0.000 0.284 498 I C 1.575 177.664 176.117 -0.046 0.000 1.124 498 I CA -0.015 61.349 61.300 0.105 0.000 1.417 498 I CB 0.675 38.759 38.000 0.139 0.000 1.396 498 I HN 0.582 nan 8.210 nan 0.000 0.571 499 S N 4.522 120.138 115.700 -0.139 0.000 2.826 499 S HA 0.222 4.692 4.470 -0.000 0.000 0.193 499 S C 0.399 174.734 174.600 -0.442 0.000 0.838 499 S CA -0.280 57.759 58.200 -0.269 0.000 0.844 499 S CB -0.065 63.097 63.200 -0.063 0.000 0.816 499 S HN 0.346 nan 8.310 nan 0.000 0.626 500 V N 2.312 122.111 119.914 -0.190 0.000 2.567 500 V HA 0.820 4.940 4.120 -0.000 0.000 0.289 500 V C 0.077 176.102 176.094 -0.115 0.000 1.049 500 V CA -0.234 61.986 62.300 -0.134 0.000 0.969 500 V CB 0.746 32.563 31.823 -0.010 0.000 0.995 500 V HN 0.847 nan 8.190 nan 0.000 0.471 501 A N 3.094 125.866 122.820 -0.079 0.000 2.475 501 A HA 0.900 5.220 4.320 -0.000 0.000 0.301 501 A C -0.557 176.974 177.584 -0.087 0.000 1.059 501 A CA -0.513 51.480 52.037 -0.074 0.000 0.710 501 A CB 1.985 20.963 19.000 -0.036 0.000 1.288 501 A HN 0.756 nan 8.150 nan 0.000 0.408 502 S N -0.276 115.303 115.700 -0.202 0.000 2.546 502 S HA 0.716 5.186 4.470 -0.000 0.000 0.272 502 S C -1.190 173.127 174.600 -0.471 0.000 1.140 502 S CA -0.523 57.513 58.200 -0.274 0.000 0.920 502 S CB 1.328 64.462 63.200 -0.111 0.000 1.083 502 S HN 1.725 nan 8.310 nan 0.000 0.476 503 C N 3.554 122.425 119.300 -0.715 0.000 3.181 503 C HA 0.720 5.180 4.460 -0.000 0.000 0.362 503 C C -0.532 174.289 174.990 -0.281 0.000 1.125 503 C CA -0.479 58.153 59.018 -0.643 0.000 1.265 503 C CB 0.281 27.433 27.740 -0.981 0.000 1.632 503 C HN 1.199 nan 8.230 nan 0.000 0.525 504 N N 1.876 120.531 118.700 -0.074 0.000 3.195 504 N HA 0.431 5.171 4.740 -0.000 0.000 0.306 504 N C 1.031 176.595 175.510 0.089 0.000 1.454 504 N CA 0.333 53.422 53.050 0.064 0.000 0.752 504 N CB 0.062 38.577 38.487 0.047 0.000 1.997 504 N HN 0.514 nan 8.380 nan 0.000 0.478 505 S N -1.247 114.499 115.700 0.077 0.000 2.325 505 S HA 0.110 4.580 4.470 -0.000 0.000 0.214 505 S C 0.364 174.978 174.600 0.023 0.000 1.031 505 S CA 0.931 59.180 58.200 0.082 0.000 0.972 505 S CB -0.657 62.602 63.200 0.099 0.000 0.908 505 S HN 0.508 nan 8.310 nan 0.000 0.453 506 S N 0.840 116.529 115.700 -0.018 0.000 2.617 506 S HA 0.453 4.923 4.470 -0.000 0.000 0.237 506 S C -0.655 173.898 174.600 -0.078 0.000 1.142 506 S CA -0.523 57.610 58.200 -0.113 0.000 1.167 506 S CB 0.787 63.882 63.200 -0.174 0.000 1.068 506 S HN 0.592 nan 8.310 nan 0.000 0.470 507 Q N 1.154 120.932 119.800 -0.035 0.000 2.378 507 Q HA 0.537 4.877 4.340 -0.000 0.000 0.262 507 Q C -2.205 173.793 176.000 -0.003 0.000 0.978 507 Q CA -0.388 55.448 55.803 0.056 0.000 0.918 507 Q CB 1.706 30.504 28.738 0.100 0.000 1.415 507 Q HN 0.220 nan 8.270 nan 0.000 0.409 508 V N 3.076 123.007 119.914 0.027 0.000 2.668 508 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 508 V C -0.837 175.285 176.094 0.047 0.000 1.071 508 V CA -0.741 61.520 62.300 -0.065 0.000 0.894 508 V CB 1.981 33.699 31.823 -0.175 0.000 1.008 508 V HN 0.592 nan 8.190 nan 0.000 0.425 509 V N 5.301 125.212 119.914 -0.005 0.000 2.487 509 V HA 0.697 4.817 4.120 -0.000 0.000 0.298 509 V C -0.022 176.067 176.094 -0.009 0.000 1.028 509 V CA -0.415 61.917 62.300 0.055 0.000 0.860 509 V CB 1.960 33.813 31.823 0.051 0.000 0.991 509 V HN 0.806 nan 8.190 nan 0.000 0.427 510 V N 1.969 121.894 119.914 0.019 0.000 3.229 510 V HA 1.098 5.218 4.120 -0.000 0.000 0.310 510 V C -0.116 176.011 176.094 0.054 0.000 1.206 510 V CA -0.917 61.385 62.300 0.002 0.000 1.051 510 V CB 1.903 33.703 31.823 -0.038 0.000 1.183 510 V HN 1.195 nan 8.190 nan 0.000 0.466 511 A N -0.370 122.479 122.820 0.048 0.000 2.488 511 A HA 0.715 5.035 4.320 -0.000 0.000 0.295 511 A C -0.725 176.902 177.584 0.072 0.000 1.045 511 A CA -0.086 51.985 52.037 0.057 0.000 0.703 511 A CB 1.877 20.900 19.000 0.038 0.000 1.271 511 A HN 1.479 nan 8.150 nan 0.000 0.400 512 V N 1.194 121.170 119.914 0.103 0.000 3.043 512 V HA 0.532 4.652 4.120 -0.000 0.000 0.357 512 V C 0.993 177.124 176.094 0.061 0.000 1.372 512 V CA 0.265 62.633 62.300 0.113 0.000 1.214 512 V CB -0.658 31.283 31.823 0.197 0.000 1.224 512 V HN 2.283 nan 8.190 nan 0.000 0.507 513 G N 1.949 110.772 108.800 0.039 0.000 3.285 513 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.685 513 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.685 513 G C 0.500 175.410 174.900 0.016 0.000 0.938 513 G CA -0.048 45.061 45.100 0.015 0.000 0.778 513 G HN 0.420 nan 8.290 nan 0.000 0.515 514 R N -0.737 119.775 120.500 0.021 0.000 4.081 514 R HA -0.349 3.991 4.340 -0.000 0.000 0.370 514 R C 1.512 177.796 176.300 -0.027 0.000 1.047 514 R CA 2.526 58.629 56.100 0.005 0.000 1.769 514 R CB -1.667 28.627 30.300 -0.011 0.000 2.379 514 R HN 2.208 nan 8.270 nan 0.000 0.525 515 A N 1.727 124.538 122.820 -0.016 0.000 2.388 515 A HA 0.611 4.931 4.320 -0.000 0.000 0.257 515 A C 0.206 177.710 177.584 -0.134 0.000 1.095 515 A CA -0.223 51.779 52.037 -0.059 0.000 0.791 515 A CB 0.545 19.549 19.000 0.006 0.000 1.029 515 A HN 0.193 nan 8.150 nan 0.000 0.489 516 L N 1.088 122.128 121.223 -0.305 0.000 2.370 516 L HA 0.640 4.979 4.340 -0.000 0.000 0.266 516 L C -1.354 175.192 176.870 -0.540 0.000 1.002 516 L CA -0.548 54.119 54.840 -0.290 0.000 0.818 516 L CB 2.030 43.963 42.059 -0.210 0.000 1.325 516 L HN 0.807 nan 8.230 nan 0.000 0.418 517 Y N 0.467 120.813 120.300 0.077 0.000 2.544 517 Y HA 0.397 4.947 4.550 -0.000 0.000 0.342 517 Y C -1.134 174.875 175.900 0.180 0.000 1.062 517 Y CA -0.768 57.376 58.100 0.072 0.000 1.023 517 Y CB 2.409 40.831 38.460 -0.064 0.000 1.308 517 Y HN 0.362 nan 8.280 nan 0.000 0.457 518 Y N 3.951 124.414 120.300 0.271 0.000 2.328 518 Y HA 0.742 5.292 4.550 -0.000 0.000 0.336 518 Y C -1.645 174.270 175.900 0.026 0.000 0.960 518 Y CA -1.493 56.709 58.100 0.170 0.000 1.134 518 Y CB 0.657 39.286 38.460 0.283 0.000 1.166 518 Y HN 0.574 nan 8.280 nan 0.000 0.464 519 L N 4.796 125.795 121.223 -0.374 0.000 2.335 519 L HA 0.634 4.974 4.340 -0.000 0.000 0.268 519 L C -0.555 175.954 176.870 -0.601 0.000 1.016 519 L CA -1.105 53.442 54.840 -0.489 0.000 0.805 519 L CB 1.820 43.631 42.059 -0.412 0.000 1.311 519 L HN 0.553 nan 8.230 nan 0.000 0.456 520 Q N 0.770 120.334 119.800 -0.393 0.000 2.379 520 Q HA 0.557 4.897 4.340 -0.000 0.000 0.278 520 Q C -1.721 174.068 176.000 -0.351 0.000 1.068 520 Q CA -0.714 54.871 55.803 -0.364 0.000 0.816 520 Q CB 3.260 31.854 28.738 -0.240 0.000 1.387 520 Q HN 0.321 nan 8.270 nan 0.000 0.413 521 I N 2.384 122.650 120.570 -0.508 0.000 2.465 521 I HA 0.494 4.663 4.170 -0.000 0.000 0.291 521 I C -0.070 175.607 176.117 -0.733 0.000 1.014 521 I CA -0.450 60.599 61.300 -0.418 0.000 1.093 521 I CB 1.104 38.976 38.000 -0.214 0.000 1.267 521 I HN 0.658 nan 8.210 nan 0.000 0.431 522 H N 4.787 123.792 119.070 -0.110 0.000 3.471 522 H HA 0.427 4.982 4.556 -0.000 0.000 0.318 522 H C -2.445 172.867 175.328 -0.027 0.000 1.676 522 H CA -1.862 54.111 56.048 -0.125 0.000 1.293 522 H CB 0.383 30.098 29.762 -0.078 0.000 1.738 522 H HN 0.180 nan 8.280 nan 0.000 0.690 523 P HA 0.029 nan 4.420 nan 0.000 0.259 523 P C -0.058 177.302 177.300 0.099 0.000 1.211 523 P CA 1.038 64.217 63.100 0.132 0.000 0.810 523 P CB 0.098 31.868 31.700 0.117 0.000 0.815 524 Q N -0.705 119.146 119.800 0.085 0.000 2.325 524 Q HA -0.246 4.094 4.340 -0.000 0.000 0.153 524 Q C -0.007 176.031 176.000 0.063 0.000 0.593 524 Q CA 1.646 57.490 55.803 0.068 0.000 1.337 524 Q CB -1.110 27.663 28.738 0.057 0.000 1.265 524 Q HN 0.633 nan 8.270 nan 0.000 0.987 525 E N 0.402 120.646 120.200 0.073 0.000 2.277 525 E HA 0.641 4.991 4.350 -0.000 0.000 0.266 525 E C -0.868 175.777 176.600 0.075 0.000 0.901 525 E CA -1.014 55.429 56.400 0.071 0.000 0.782 525 E CB 1.238 30.977 29.700 0.066 0.000 1.228 525 E HN 0.008 nan 8.360 nan 0.000 0.424 526 L N 2.017 123.284 121.223 0.074 0.000 2.264 526 L HA 0.460 4.800 4.340 -0.000 0.000 0.287 526 L C -0.798 176.133 176.870 0.101 0.000 1.039 526 L CA -0.307 54.578 54.840 0.074 0.000 0.829 526 L CB 0.352 42.477 42.059 0.110 0.000 1.211 526 L HN 0.698 nan 8.230 nan 0.000 0.427 527 R N 3.782 124.322 120.500 0.066 0.000 2.393 527 R HA 0.336 4.676 4.340 -0.000 0.000 0.315 527 R C -0.426 175.873 176.300 -0.001 0.000 0.952 527 R CA -0.464 55.677 56.100 0.069 0.000 0.842 527 R CB 1.387 31.741 30.300 0.090 0.000 1.163 527 R HN 0.711 nan 8.270 nan 0.000 0.450 528 Q N 3.710 123.550 119.800 0.067 0.000 2.306 528 Q HA 0.308 4.648 4.340 -0.000 0.000 0.241 528 Q C -0.472 175.544 176.000 0.026 0.000 0.948 528 Q CA -0.160 55.669 55.803 0.043 0.000 0.886 528 Q CB 1.003 29.917 28.738 0.294 0.000 1.227 528 Q HN 0.662 nan 8.270 nan 0.000 0.457 529 I N -0.516 120.068 120.570 0.023 0.000 4.587 529 I HA 0.232 4.402 4.170 -0.000 0.000 0.181 529 I C 0.074 176.342 176.117 0.252 0.000 0.749 529 I CA -0.896 60.468 61.300 0.108 0.000 1.896 529 I CB 0.663 38.686 38.000 0.039 0.000 1.139 529 I HN 0.505 nan 8.210 nan 0.000 0.374 530 S N -0.123 115.803 115.700 0.377 0.000 2.587 530 S HA 0.173 4.643 4.470 -0.000 0.000 0.260 530 S C -0.732 173.981 174.600 0.188 0.000 1.353 530 S CA 0.239 58.641 58.200 0.336 0.000 0.995 530 S CB 0.165 63.671 63.200 0.509 0.000 0.912 530 S HN 0.596 nan 8.310 nan 0.000 0.568 531 H N -0.874 118.055 119.070 -0.235 0.000 3.087 531 H HA 0.502 5.058 4.556 -0.000 0.000 0.348 531 H C -1.509 173.458 175.328 -0.601 0.000 1.092 531 H CA -0.304 55.442 56.048 -0.504 0.000 1.285 531 H CB 1.029 30.666 29.762 -0.210 0.000 1.875 531 H HN 0.519 nan 8.280 nan 0.000 0.512 532 T N 3.704 117.462 114.554 -1.327 0.000 2.956 532 T HA 0.238 4.588 4.350 -0.000 0.000 0.312 532 T C -0.625 173.628 174.700 -0.744 0.000 1.151 532 T CA -0.884 60.621 62.100 -0.991 0.000 1.024 532 T CB 2.157 70.669 68.868 -0.594 0.000 1.140 532 T HN 0.681 nan 8.240 nan 0.000 0.473 533 E N 1.780 121.671 120.200 -0.516 0.000 2.314 533 E HA 0.582 4.932 4.350 -0.000 0.000 0.262 533 E C -0.663 175.827 176.600 -0.183 0.000 1.093 533 E CA -0.556 55.684 56.400 -0.266 0.000 0.908 533 E CB 0.680 30.277 29.700 -0.172 0.000 1.091 533 E HN 0.440 nan 8.360 nan 0.000 0.425 534 M N 1.684 121.212 119.600 -0.120 0.000 2.619 534 M HA 0.193 4.673 4.480 -0.000 0.000 0.297 534 M C 0.703 176.931 176.300 -0.121 0.000 1.229 534 M CA -0.829 54.415 55.300 -0.095 0.000 0.860 534 M CB 1.778 34.352 32.600 -0.045 0.000 1.741 534 M HN 0.536 nan 8.290 nan 0.000 0.462 535 E N 0.991 121.085 120.200 -0.176 0.000 2.082 535 E HA -0.214 4.136 4.350 -0.000 0.000 0.215 535 E C 0.404 176.663 176.600 -0.568 0.000 1.048 535 E CA 1.902 58.061 56.400 -0.402 0.000 0.869 535 E CB -0.014 29.408 29.700 -0.463 0.000 0.773 535 E HN 0.550 nan 8.360 nan 0.000 0.466 536 H N -0.939 118.149 119.070 0.029 0.000 3.690 536 H HA 0.382 4.937 4.556 -0.001 0.000 0.330 536 H C -0.075 175.292 175.328 0.065 0.000 1.693 536 H CA -0.726 55.352 56.048 0.051 0.000 1.349 536 H CB 0.303 30.121 29.762 0.094 0.000 1.539 536 H HN -0.075 nan 8.280 nan 0.000 0.757 537 E N 1.419 121.774 120.200 0.259 0.000 2.259 537 E HA 0.232 4.581 4.350 -0.000 0.000 0.281 537 E C -0.522 176.289 176.600 0.352 0.000 1.027 537 E CA -0.491 56.012 56.400 0.172 0.000 0.838 537 E CB 1.679 31.318 29.700 -0.102 0.000 1.066 537 E HN 0.138 nan 8.360 nan 0.000 0.401 538 V N 3.299 123.357 119.914 0.241 0.000 2.485 538 V HA -0.015 4.105 4.120 -0.000 0.000 0.287 538 V C 1.008 177.299 176.094 0.329 0.000 1.022 538 V CA 0.503 62.939 62.300 0.226 0.000 1.067 538 V CB 0.647 32.545 31.823 0.124 0.000 0.967 538 V HN 0.856 nan 8.190 nan 0.000 0.479 539 A N 4.368 127.331 122.820 0.237 0.000 1.911 539 A HA 0.251 4.571 4.320 -0.000 0.000 0.212 539 A C 1.003 178.629 177.584 0.070 0.000 1.189 539 A CA 1.100 53.191 52.037 0.090 0.000 0.639 539 A CB 0.023 18.893 19.000 -0.218 0.000 0.839 539 A HN 1.094 nan 8.150 nan 0.000 0.449 540 C N -2.792 116.546 119.300 0.064 0.000 3.285 540 C HA 0.800 5.260 4.460 -0.000 0.000 0.325 540 C C -1.096 173.929 174.990 0.059 0.000 1.304 540 C CA -1.393 57.662 59.018 0.063 0.000 1.319 540 C CB 0.429 28.206 27.740 0.061 0.000 1.640 540 C HN 0.352 nan 8.230 nan 0.000 0.477 541 L N 0.832 122.087 121.223 0.054 0.000 2.359 541 L HA 0.885 5.225 4.340 -0.000 0.000 0.256 541 L C -1.139 175.757 176.870 0.042 0.000 1.026 541 L CA -0.146 54.718 54.840 0.040 0.000 0.828 541 L CB 2.002 44.076 42.059 0.025 0.000 1.406 541 L HN 0.885 nan 8.230 nan 0.000 0.413 542 D N 0.780 121.197 120.400 0.027 0.000 2.927 542 D HA 0.664 5.303 4.640 -0.000 0.000 0.219 542 D C -1.593 174.704 176.300 -0.006 0.000 1.248 542 D CA -0.271 53.744 54.000 0.025 0.000 0.861 542 D CB 2.090 42.925 40.800 0.059 0.000 1.677 542 D HN 0.513 nan 8.370 nan 0.000 0.511 543 I N -0.175 120.383 120.570 -0.020 0.000 2.569 543 I HA 0.841 5.011 4.170 -0.000 0.000 0.290 543 I C -1.258 174.850 176.117 -0.016 0.000 1.088 543 I CA -0.512 60.764 61.300 -0.040 0.000 1.047 543 I CB 2.564 40.522 38.000 -0.071 0.000 1.237 543 I HN 0.226 nan 8.210 nan 0.000 0.421 544 T N 3.747 118.296 114.554 -0.008 0.000 3.435 544 T HA 0.367 4.717 4.350 -0.000 0.000 0.344 544 T C -3.061 171.643 174.700 0.006 0.000 1.211 544 T CA -0.937 61.171 62.100 0.014 0.000 1.104 544 T CB 1.710 70.601 68.868 0.038 0.000 1.196 544 T HN 0.489 nan 8.240 nan 0.000 0.471 545 P HA 0.237 nan 4.420 nan 0.000 0.264 545 P C -0.238 177.075 177.300 0.022 0.000 1.229 545 P CA -0.287 62.819 63.100 0.011 0.000 0.780 545 P CB 0.342 32.056 31.700 0.024 0.000 0.808 546 L N 3.246 124.477 121.223 0.013 0.000 2.776 546 L HA 0.341 4.681 4.340 -0.000 0.000 0.165 546 L C 2.386 179.297 176.870 0.069 0.000 1.145 546 L CA 0.635 55.504 54.840 0.047 0.000 1.230 546 L CB -1.047 41.024 42.059 0.020 0.000 2.044 546 L HN 0.340 nan 8.230 nan 0.000 0.484 547 G N -1.296 107.587 108.800 0.138 0.000 3.181 547 G HA2 0.018 3.978 3.960 -0.000 0.000 0.219 547 G HA3 0.018 3.978 3.960 -0.000 0.000 0.219 547 G C 0.168 175.120 174.900 0.087 0.000 1.182 547 G CA 0.501 45.675 45.100 0.123 0.000 0.791 547 G HN 0.738 nan 8.290 nan 0.000 0.537 548 D N -0.857 119.571 120.400 0.046 0.000 2.469 548 D HA 0.128 4.768 4.640 -0.000 0.000 0.213 548 D C 0.845 177.152 176.300 0.012 0.000 1.135 548 D CA 0.154 54.166 54.000 0.020 0.000 0.834 548 D CB 0.255 41.046 40.800 -0.014 0.000 1.009 548 D HN 0.186 nan 8.370 nan 0.000 0.507 549 S N -0.625 115.085 115.700 0.016 0.000 2.579 549 S HA 0.518 4.988 4.470 -0.000 0.000 0.272 549 S C -1.221 173.396 174.600 0.028 0.000 1.141 549 S CA -1.145 57.065 58.200 0.016 0.000 0.843 549 S CB 1.237 64.439 63.200 0.002 0.000 1.122 549 S HN 0.028 nan 8.310 nan 0.000 0.468 550 N N 1.090 119.810 118.700 0.034 0.000 2.817 550 N HA 0.447 5.186 4.740 -0.000 0.000 0.234 550 N C 0.902 176.444 175.510 0.053 0.000 1.066 550 N CA 0.114 53.190 53.050 0.044 0.000 0.926 550 N CB 0.668 39.183 38.487 0.046 0.000 1.176 550 N HN 1.301 nan 8.380 nan 0.000 0.506 551 G N 0.173 109.004 108.800 0.052 0.000 2.217 551 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 551 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 551 G C -0.292 174.634 174.900 0.043 0.000 0.990 551 G CA -0.085 45.050 45.100 0.059 0.000 0.627 551 G HN 0.465 nan 8.290 nan 0.000 0.522 552 L N 1.157 122.399 121.223 0.032 0.000 2.362 552 L HA 0.857 5.197 4.340 -0.000 0.000 0.271 552 L C 0.021 176.888 176.870 -0.005 0.000 1.002 552 L CA -0.490 54.363 54.840 0.021 0.000 0.818 552 L CB 2.262 44.339 42.059 0.030 0.000 1.298 552 L HN 0.207 nan 8.230 nan 0.000 0.420 553 S N 4.632 120.314 115.700 -0.031 0.000 2.456 553 S HA 0.579 5.048 4.470 -0.000 0.000 0.316 553 S C -1.994 172.545 174.600 -0.103 0.000 1.089 553 S CA -1.356 56.807 58.200 -0.061 0.000 1.101 553 S CB 1.093 64.254 63.200 -0.065 0.000 0.995 553 S HN 0.564 nan 8.310 nan 0.000 0.468 554 P HA 0.017 nan 4.420 nan 0.000 0.199 554 P C 0.414 177.627 177.300 -0.145 0.000 1.118 554 P CA 0.696 63.729 63.100 -0.112 0.000 0.913 554 P CB -0.038 31.603 31.700 -0.099 0.000 0.738 555 L N -3.031 118.111 121.223 -0.134 0.000 2.440 555 L HA 0.715 5.055 4.340 -0.000 0.000 0.262 555 L C -0.231 176.556 176.870 -0.139 0.000 1.072 555 L CA -0.840 53.916 54.840 -0.141 0.000 0.798 555 L CB 0.913 42.904 42.059 -0.114 0.000 1.307 555 L HN 0.087 nan 8.230 nan 0.000 0.475 556 C N -0.160 119.061 119.300 -0.132 0.000 3.320 556 C HA 0.965 5.425 4.460 -0.000 0.000 0.335 556 C C -1.063 173.879 174.990 -0.080 0.000 1.430 556 C CA 0.350 59.295 59.018 -0.120 0.000 1.271 556 C CB 1.542 29.168 27.740 -0.190 0.000 1.609 556 C HN 1.358 nan 8.230 nan 0.000 0.457 557 A N 1.598 124.386 122.820 -0.052 0.000 2.590 557 A HA 0.793 5.113 4.320 -0.000 0.000 0.296 557 A C -1.288 176.297 177.584 0.002 0.000 1.050 557 A CA 0.129 52.153 52.037 -0.022 0.000 0.697 557 A CB 0.560 19.556 19.000 -0.006 0.000 1.277 557 A HN 1.893 nan 8.150 nan 0.000 0.411 558 I N -1.630 118.946 120.570 0.011 0.000 3.354 558 I HA 1.024 5.194 4.170 -0.000 0.000 0.316 558 I C 0.007 176.142 176.117 0.031 0.000 1.182 558 I CA -1.042 60.276 61.300 0.030 0.000 0.942 558 I CB 2.251 40.275 38.000 0.039 0.000 1.299 558 I HN 1.178 nan 8.210 nan 0.000 0.473 559 G N 1.887 110.712 108.800 0.041 0.000 2.740 559 G HA2 0.647 4.606 3.960 -0.000 0.000 0.296 559 G HA3 0.647 4.606 3.960 -0.000 0.000 0.296 559 G C -1.278 173.648 174.900 0.043 0.000 1.439 559 G CA -0.688 44.433 45.100 0.034 0.000 1.066 559 G HN 0.768 nan 8.290 nan 0.000 0.527 560 L N -1.013 120.247 121.223 0.062 0.000 2.293 560 L HA 0.769 5.109 4.340 -0.000 0.000 0.264 560 L C 0.987 177.917 176.870 0.100 0.000 1.029 560 L CA -1.295 53.622 54.840 0.128 0.000 0.897 560 L CB 0.546 42.727 42.059 0.204 0.000 1.497 560 L HN 0.506 nan 8.230 nan 0.000 0.495 561 W N -0.464 120.857 121.300 0.035 0.000 2.452 561 W HA -0.002 4.658 4.660 -0.001 0.000 0.313 561 W C 2.298 178.767 176.519 -0.083 0.000 1.176 561 W CA 1.843 59.187 57.345 -0.002 0.000 1.350 561 W CB -0.195 29.279 29.460 0.023 0.000 1.148 561 W HN 0.627 nan 8.180 nan 0.000 0.498 562 T N -0.221 114.368 114.554 0.058 0.000 2.814 562 T HA -0.154 4.195 4.350 -0.000 0.000 0.254 562 T C 1.165 175.700 174.700 -0.275 0.000 1.037 562 T CA 1.577 63.581 62.100 -0.160 0.000 1.143 562 T CB -0.719 67.957 68.868 -0.320 0.000 0.866 562 T HN 0.144 nan 8.240 nan 0.000 0.431 563 D N 1.641 121.751 120.400 -0.483 0.000 2.264 563 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 563 D C 0.503 176.738 176.300 -0.107 0.000 0.966 563 D CA 0.142 54.002 54.000 -0.234 0.000 0.864 563 D CB -0.819 39.909 40.800 -0.121 0.000 0.933 563 D HN 0.492 nan 8.370 nan 0.000 0.499 564 I N 0.423 120.940 120.570 -0.088 0.000 7.084 564 I HA -0.227 3.943 4.170 -0.000 0.000 0.126 564 I C -0.340 175.746 176.117 -0.050 0.000 1.834 564 I CA 0.504 61.767 61.300 -0.061 0.000 2.040 564 I CB -1.616 36.353 38.000 -0.051 0.000 3.591 564 I HN 0.365 nan 8.210 nan 0.000 0.170 565 S N 2.512 118.190 115.700 -0.036 0.000 2.685 565 S HA 0.988 5.458 4.470 -0.000 0.000 0.282 565 S C -0.563 174.018 174.600 -0.032 0.000 1.159 565 S CA -0.338 57.835 58.200 -0.045 0.000 0.833 565 S CB 2.615 65.794 63.200 -0.034 0.000 1.151 565 S HN 1.303 nan 8.310 nan 0.000 0.485 566 A N 1.293 124.073 122.820 -0.066 0.000 2.357 566 A HA 0.767 5.086 4.320 -0.000 0.000 0.295 566 A C -0.660 176.872 177.584 -0.087 0.000 1.121 566 A CA -0.887 51.119 52.037 -0.051 0.000 0.742 566 A CB 0.937 19.910 19.000 -0.044 0.000 1.181 566 A HN 0.637 nan 8.150 nan 0.000 0.454 567 R N 2.897 123.368 120.500 -0.048 0.000 2.338 567 R HA 0.492 4.832 4.340 -0.000 0.000 0.317 567 R C -0.809 175.461 176.300 -0.050 0.000 0.968 567 R CA -0.620 55.446 56.100 -0.057 0.000 0.849 567 R CB 1.304 31.589 30.300 -0.025 0.000 1.128 567 R HN 0.572 nan 8.270 nan 0.000 0.448 568 I N 5.538 126.070 120.570 -0.064 0.000 2.353 568 I HA 0.372 4.542 4.170 -0.000 0.000 0.293 568 I C 0.227 176.318 176.117 -0.043 0.000 0.992 568 I CA -0.639 60.634 61.300 -0.045 0.000 1.268 568 I CB 0.909 38.890 38.000 -0.032 0.000 1.387 568 I HN 0.495 nan 8.210 nan 0.000 0.478 569 L N 4.427 125.618 121.223 -0.053 0.000 2.510 569 L HA 0.713 5.053 4.340 -0.000 0.000 0.252 569 L C -0.522 176.285 176.870 -0.105 0.000 1.091 569 L CA -0.906 53.894 54.840 -0.067 0.000 0.888 569 L CB 0.978 43.003 42.059 -0.058 0.000 1.507 569 L HN 0.202 nan 8.230 nan 0.000 0.407 570 K N -0.181 120.141 120.400 -0.131 0.000 2.168 570 K HA 0.482 4.802 4.320 -0.000 0.000 0.239 570 K C 0.051 176.451 176.600 -0.333 0.000 0.999 570 K CA -0.536 55.641 56.287 -0.184 0.000 0.900 570 K CB 2.012 34.429 32.500 -0.139 0.000 1.111 570 K HN 0.730 nan 8.250 nan 0.000 0.452 571 L N 3.064 124.048 121.223 -0.399 0.000 2.194 571 L HA 0.182 4.521 4.340 -0.000 0.000 0.197 571 L C -1.287 175.065 176.870 -0.864 0.000 1.106 571 L CA 0.782 55.228 54.840 -0.657 0.000 0.785 571 L CB -0.859 40.869 42.059 -0.553 0.000 0.960 571 L HN 0.490 nan 8.230 nan 0.000 0.465 572 P HA -0.071 nan 4.420 nan 0.000 0.217 572 P C 1.679 178.932 177.300 -0.078 0.000 1.151 572 P CA 1.879 64.804 63.100 -0.291 0.000 0.828 572 P CB -0.153 31.474 31.700 -0.121 0.000 0.788 573 S N -2.182 113.462 115.700 -0.094 0.000 2.489 573 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 573 S C 0.958 175.640 174.600 0.138 0.000 0.995 573 S CA 0.128 58.349 58.200 0.036 0.000 0.934 573 S CB -1.442 61.754 63.200 -0.007 0.000 0.771 573 S HN 0.055 nan 8.310 nan 0.000 0.522 574 F N 1.716 121.620 119.950 -0.077 0.000 2.935 574 F HA -0.256 4.270 4.527 -0.000 0.000 0.317 574 F C 0.770 176.525 175.800 -0.076 0.000 0.699 574 F CA 0.920 58.870 58.000 -0.083 0.000 1.127 574 F CB -2.054 36.892 39.000 -0.089 0.000 1.491 574 F HN 0.523 nan 8.300 nan 0.000 0.337 575 E N 1.704 121.935 120.200 0.053 0.000 2.425 575 E HA 0.220 4.570 4.350 -0.000 0.000 0.258 575 E C -0.062 176.537 176.600 -0.002 0.000 1.151 575 E CA -0.532 55.880 56.400 0.019 0.000 0.958 575 E CB 1.183 30.882 29.700 -0.002 0.000 0.968 575 E HN 0.266 nan 8.360 nan 0.000 0.451 576 L N 2.967 124.185 121.223 -0.008 0.000 2.280 576 L HA 0.232 4.572 4.340 -0.000 0.000 0.287 576 L C -0.200 176.659 176.870 -0.019 0.000 1.023 576 L CA -0.417 54.412 54.840 -0.018 0.000 0.819 576 L CB 1.044 43.090 42.059 -0.022 0.000 1.212 576 L HN 0.731 nan 8.230 nan 0.000 0.420 577 L N 3.954 125.165 121.223 -0.020 0.000 2.606 577 L HA 0.181 4.521 4.340 -0.000 0.000 0.147 577 L C 0.059 176.944 176.870 0.026 0.000 1.620 577 L CA 0.010 54.851 54.840 0.001 0.000 3.110 577 L CB -0.271 41.788 42.059 -0.000 0.000 3.027 577 L HN 0.629 nan 8.230 nan 0.000 0.899 578 H N 0.728 119.760 119.070 -0.062 0.000 2.690 578 H HA 0.278 4.834 4.556 -0.000 0.000 0.280 578 H C -0.635 174.635 175.328 -0.096 0.000 1.138 578 H CA -0.906 55.098 56.048 -0.074 0.000 1.241 578 H CB 0.127 29.844 29.762 -0.075 0.000 1.394 578 H HN 0.237 nan 8.280 nan 0.000 0.489 579 K N 2.433 122.605 120.400 -0.380 0.000 2.276 579 K HA 0.107 4.427 4.320 -0.000 0.000 0.259 579 K C -0.281 175.990 176.600 -0.548 0.000 1.001 579 K CA -0.650 55.425 56.287 -0.352 0.000 0.927 579 K CB 0.860 33.225 32.500 -0.224 0.000 0.969 579 K HN 0.437 nan 8.250 nan 0.000 0.490 580 E N 2.436 122.391 120.200 -0.407 0.000 2.102 580 E HA 0.152 4.502 4.350 -0.000 0.000 0.263 580 E C -1.063 175.353 176.600 -0.307 0.000 0.894 580 E CA -0.692 55.448 56.400 -0.434 0.000 0.746 580 E CB 0.812 30.116 29.700 -0.660 0.000 1.129 580 E HN 0.571 nan 8.360 nan 0.000 0.416 581 M N 4.905 124.356 119.600 -0.247 0.000 2.252 581 M HA 0.240 4.719 4.480 -0.000 0.000 0.348 581 M C -1.377 174.816 176.300 -0.178 0.000 1.334 581 M CA 0.427 55.624 55.300 -0.171 0.000 1.071 581 M CB 0.185 32.708 32.600 -0.129 0.000 1.763 581 M HN 0.623 nan 8.290 nan 0.000 0.452 582 L N 4.118 125.247 121.223 -0.157 0.000 2.342 582 L HA 0.728 5.068 4.340 -0.000 0.000 0.271 582 L C 0.738 177.537 176.870 -0.117 0.000 1.008 582 L CA -0.941 53.785 54.840 -0.189 0.000 0.818 582 L CB 1.772 43.721 42.059 -0.182 0.000 1.296 582 L HN 0.833 nan 8.230 nan 0.000 0.427 583 G N 0.079 108.813 108.800 -0.110 0.000 2.535 583 G HA2 0.613 4.573 3.960 -0.000 0.000 0.282 583 G HA3 0.613 4.573 3.960 -0.000 0.000 0.282 583 G C -0.022 174.884 174.900 0.011 0.000 1.350 583 G CA 0.185 45.264 45.100 -0.035 0.000 1.039 583 G HN 1.029 nan 8.290 nan 0.000 0.509 584 G N -1.954 106.865 108.800 0.031 0.000 2.592 584 G HA2 0.014 3.974 3.960 -0.000 0.000 0.684 584 G HA3 0.014 3.974 3.960 -0.000 0.000 0.684 584 G C 0.027 174.939 174.900 0.020 0.000 1.291 584 G CA 0.285 45.413 45.100 0.046 0.000 0.891 584 G HN 0.590 nan 8.290 nan 0.000 0.544 585 E N -0.917 119.294 120.200 0.018 0.000 2.639 585 E HA 0.182 4.531 4.350 -0.000 0.000 0.225 585 E C 0.910 177.506 176.600 -0.006 0.000 0.921 585 E CA 0.192 56.597 56.400 0.009 0.000 1.184 585 E CB 0.763 30.473 29.700 0.017 0.000 1.160 585 E HN 0.513 nan 8.360 nan 0.000 0.547 586 I N 2.538 123.096 120.570 -0.020 0.000 2.707 586 I HA 0.270 4.440 4.170 -0.000 0.000 0.309 586 I C 1.049 177.088 176.117 -0.130 0.000 1.001 586 I CA -1.178 60.083 61.300 -0.065 0.000 1.129 586 I CB 0.807 38.780 38.000 -0.045 0.000 1.308 586 I HN -0.153 nan 8.210 nan 0.000 0.466 587 I N 2.236 122.642 120.570 -0.273 0.000 3.045 587 I HA 0.211 4.381 4.170 -0.000 0.000 0.288 587 I C -2.533 173.458 176.117 -0.210 0.000 1.238 587 I CA -1.378 59.679 61.300 -0.406 0.000 1.396 587 I CB -0.629 36.880 38.000 -0.817 0.000 1.355 587 I HN 0.271 nan 8.210 nan 0.000 0.601 588 P HA 0.350 nan 4.420 nan 0.000 0.287 588 P C 0.135 177.388 177.300 -0.078 0.000 1.294 588 P CA -0.419 62.645 63.100 -0.060 0.000 0.776 588 P CB 0.956 32.651 31.700 -0.007 0.000 0.889 589 R N 1.603 122.083 120.500 -0.034 0.000 2.100 589 R HA 0.175 4.515 4.340 -0.000 0.000 0.220 589 R C 0.114 176.439 176.300 0.042 0.000 1.091 589 R CA 1.002 57.095 56.100 -0.011 0.000 0.986 589 R CB 0.227 30.528 30.300 0.003 0.000 0.888 589 R HN 0.385 nan 8.270 nan 0.000 0.444 590 S N -0.601 115.136 115.700 0.061 0.000 2.549 590 S HA 0.565 5.035 4.470 -0.000 0.000 0.280 590 S C -1.367 173.294 174.600 0.103 0.000 1.109 590 S CA -0.595 57.660 58.200 0.091 0.000 0.905 590 S CB 2.236 65.499 63.200 0.104 0.000 1.081 590 S HN 0.191 nan 8.310 nan 0.000 0.477 591 I N 2.532 123.167 120.570 0.109 0.000 2.722 591 I HA 0.781 4.951 4.170 -0.000 0.000 0.295 591 I C -1.842 174.346 176.117 0.119 0.000 1.161 591 I CA -0.476 60.894 61.300 0.118 0.000 1.032 591 I CB 1.676 39.736 38.000 0.099 0.000 1.244 591 I HN 0.613 nan 8.210 nan 0.000 0.421 592 L N 6.786 128.088 121.223 0.131 0.000 2.491 592 L HA 0.731 5.071 4.340 -0.000 0.000 0.254 592 L C -1.562 175.388 176.870 0.134 0.000 1.048 592 L CA -0.550 54.365 54.840 0.125 0.000 0.855 592 L CB 2.243 44.378 42.059 0.127 0.000 1.466 592 L HN 0.678 nan 8.230 nan 0.000 0.409 593 M N 0.177 119.848 119.600 0.118 0.000 2.457 593 M HA 0.867 5.347 4.480 -0.000 0.000 0.300 593 M C -1.055 175.317 176.300 0.120 0.000 1.141 593 M CA -0.295 55.086 55.300 0.136 0.000 0.901 593 M CB 2.067 34.727 32.600 0.101 0.000 1.687 593 M HN 0.598 nan 8.290 nan 0.000 0.449 594 T N -1.285 113.373 114.554 0.174 0.000 2.838 594 T HA 0.890 5.240 4.350 -0.000 0.000 0.292 594 T C -0.713 174.051 174.700 0.106 0.000 1.113 594 T CA -0.632 61.508 62.100 0.066 0.000 1.008 594 T CB 2.244 71.129 68.868 0.029 0.000 1.259 594 T HN 0.799 nan 8.240 nan 0.000 0.520 595 T N 0.972 115.415 114.554 -0.185 0.000 3.041 595 T HA 0.609 4.958 4.350 -0.000 0.000 0.321 595 T C -0.914 173.550 174.700 -0.393 0.000 1.184 595 T CA -0.508 61.511 62.100 -0.135 0.000 1.050 595 T CB 1.396 70.231 68.868 -0.056 0.000 1.159 595 T HN 0.582 nan 8.240 nan 0.000 0.469 596 F N 0.997 120.963 119.950 0.026 0.000 2.083 596 F HA 0.453 4.979 4.527 -0.001 0.000 0.225 596 F C 1.867 177.651 175.800 -0.025 0.000 1.146 596 F CA -0.314 57.689 58.000 0.005 0.000 1.267 596 F CB 0.178 39.186 39.000 0.013 0.000 1.684 596 F HN 0.460 nan 8.300 nan 0.000 0.436 597 E N -0.683 119.624 120.200 0.177 0.000 2.419 597 E HA 0.272 4.622 4.350 -0.000 0.000 0.197 597 E C -0.512 176.088 176.600 0.000 0.000 0.920 597 E CA 0.359 56.784 56.400 0.041 0.000 1.085 597 E CB 0.672 30.361 29.700 -0.018 0.000 1.084 597 E HN 0.011 nan 8.360 nan 0.000 0.490 598 S N 0.401 116.085 115.700 -0.028 0.000 2.620 598 S HA 0.662 5.131 4.470 -0.000 0.000 0.244 598 S C -1.340 173.283 174.600 0.038 0.000 1.192 598 S CA -0.498 57.715 58.200 0.021 0.000 1.148 598 S CB 1.266 64.556 63.200 0.151 0.000 1.106 598 S HN 0.095 nan 8.310 nan 0.000 0.474 599 S N 1.781 117.395 115.700 -0.143 0.000 2.799 599 S HA 0.091 4.561 4.470 -0.000 0.000 0.267 599 S C -1.937 172.261 174.600 -0.670 0.000 0.736 599 S CA -0.847 57.152 58.200 -0.334 0.000 1.070 599 S CB 0.151 63.142 63.200 -0.348 0.000 1.339 599 S HN 0.734 nan 8.310 nan 0.000 0.507 600 H N 0.736 119.532 119.070 -0.458 0.000 2.538 600 H HA 0.544 5.100 4.556 -0.000 0.000 0.353 600 H C -1.407 173.676 175.328 -0.408 0.000 1.109 600 H CA -0.203 55.663 56.048 -0.302 0.000 1.192 600 H CB 1.272 30.975 29.762 -0.099 0.000 1.555 600 H HN 0.558 nan 8.280 nan 0.000 0.518 601 Y N 1.578 122.022 120.300 0.241 0.000 2.391 601 Y HA 0.278 4.828 4.550 -0.000 0.000 0.341 601 Y C -0.386 175.627 175.900 0.189 0.000 0.965 601 Y CA -0.891 57.333 58.100 0.206 0.000 1.067 601 Y CB 1.983 40.571 38.460 0.213 0.000 1.199 601 Y HN 0.371 nan 8.280 nan 0.000 0.450 602 L N 4.965 126.388 121.223 0.333 0.000 2.294 602 L HA 0.640 4.980 4.340 -0.000 0.000 0.283 602 L C -1.791 175.265 176.870 0.311 0.000 1.015 602 L CA -0.406 54.599 54.840 0.276 0.000 0.831 602 L CB 0.459 42.653 42.059 0.224 0.000 1.217 602 L HN 0.548 nan 8.230 nan 0.000 0.420 603 L N 5.242 126.623 121.223 0.263 0.000 2.329 603 L HA 0.607 4.947 4.340 -0.000 0.000 0.279 603 L C -0.566 176.443 176.870 0.233 0.000 1.014 603 L CA -0.158 54.834 54.840 0.253 0.000 0.814 603 L CB 1.803 43.993 42.059 0.218 0.000 1.257 603 L HN 0.654 nan 8.230 nan 0.000 0.424 604 C N 2.713 122.167 119.300 0.257 0.000 2.441 604 C HA 0.929 5.388 4.460 -0.000 0.000 0.318 604 C C -0.086 175.026 174.990 0.203 0.000 1.222 604 C CA -0.473 58.683 59.018 0.230 0.000 1.474 604 C CB 0.509 28.414 27.740 0.276 0.000 2.125 604 C HN 0.939 nan 8.230 nan 0.000 0.479 605 A N 6.184 129.090 122.820 0.143 0.000 2.337 605 A HA 0.806 5.126 4.320 -0.000 0.000 0.329 605 A C -0.786 176.839 177.584 0.068 0.000 1.146 605 A CA -0.476 51.615 52.037 0.090 0.000 0.800 605 A CB 0.672 19.714 19.000 0.070 0.000 1.220 605 A HN 0.946 nan 8.150 nan 0.000 0.472 606 L N 1.350 122.593 121.223 0.033 0.000 2.440 606 L HA 0.469 4.809 4.340 -0.000 0.000 0.262 606 L C 1.790 178.653 176.870 -0.012 0.000 1.072 606 L CA -0.244 54.610 54.840 0.023 0.000 0.798 606 L CB 1.263 43.344 42.059 0.037 0.000 1.307 606 L HN 0.891 nan 8.230 nan 0.000 0.475 607 G N -0.630 108.155 108.800 -0.026 0.000 2.430 607 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.216 607 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.216 607 G C 0.787 175.671 174.900 -0.025 0.000 1.146 607 G CA 0.484 45.563 45.100 -0.035 0.000 0.793 607 G HN 0.813 nan 8.290 nan 0.000 0.537 608 D N -0.337 120.050 120.400 -0.022 0.000 2.319 608 D HA 0.214 4.854 4.640 -0.000 0.000 0.230 608 D C 1.610 177.891 176.300 -0.032 0.000 1.094 608 D CA 0.705 54.692 54.000 -0.021 0.000 0.856 608 D CB -0.207 40.587 40.800 -0.011 0.000 0.915 608 D HN 0.457 nan 8.370 nan 0.000 0.517 609 G N -0.088 108.687 108.800 -0.041 0.000 2.254 609 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.225 609 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.225 609 G C 0.597 175.455 174.900 -0.071 0.000 1.003 609 G CA 0.111 45.180 45.100 -0.051 0.000 0.622 609 G HN 0.782 nan 8.290 nan 0.000 0.507 610 A N -0.144 122.615 122.820 -0.101 0.000 2.386 610 A HA 0.742 5.062 4.320 -0.000 0.000 0.246 610 A C 0.028 177.470 177.584 -0.235 0.000 1.089 610 A CA 1.012 52.932 52.037 -0.194 0.000 0.790 610 A CB 0.776 19.606 19.000 -0.283 0.000 1.042 610 A HN 1.580 nan 8.150 nan 0.000 0.497 611 L N 0.096 121.121 121.223 -0.331 0.000 2.455 611 L HA 0.718 5.058 4.340 -0.000 0.000 0.264 611 L C -1.692 174.948 176.870 -0.384 0.000 0.968 611 L CA -0.443 54.276 54.840 -0.202 0.000 0.827 611 L CB 1.568 43.688 42.059 0.100 0.000 1.317 611 L HN 0.681 nan 8.230 nan 0.000 0.407 612 F N 3.461 123.418 119.950 0.011 0.000 2.469 612 F HA 0.541 5.068 4.527 0.000 0.000 0.332 612 F C -0.771 174.878 175.800 -0.252 0.000 1.103 612 F CA -0.634 57.222 58.000 -0.238 0.000 0.979 612 F CB 1.585 40.484 39.000 -0.168 0.000 1.137 612 F HN 0.306 nan 8.300 nan 0.000 0.463 613 Y N 0.728 120.821 120.300 -0.346 0.000 2.364 613 Y HA 0.808 5.358 4.550 0.000 0.000 0.340 613 Y C -1.456 174.072 175.900 -0.622 0.000 0.975 613 Y CA -2.287 55.612 58.100 -0.336 0.000 1.089 613 Y CB 0.792 39.107 38.460 -0.243 0.000 1.192 613 Y HN 0.417 nan 8.280 nan 0.000 0.454 614 F N 0.469 120.565 119.950 0.244 0.000 2.643 614 F HA 0.759 5.286 4.527 -0.000 0.000 0.314 614 F C 0.248 176.157 175.800 0.182 0.000 1.096 614 F CA -1.571 56.527 58.000 0.163 0.000 0.953 614 F CB 2.754 41.813 39.000 0.099 0.000 1.345 614 F HN 0.812 nan 8.300 nan 0.000 0.468 615 G N 1.969 110.975 108.800 0.344 0.000 2.671 615 G HA2 0.522 4.482 3.960 -0.000 0.000 0.318 615 G HA3 0.522 4.482 3.960 -0.000 0.000 0.318 615 G C -1.909 173.069 174.900 0.130 0.000 1.250 615 G CA -0.436 44.779 45.100 0.191 0.000 1.028 615 G HN 0.522 nan 8.290 nan 0.000 0.501 616 L N 2.980 124.273 121.223 0.117 0.000 2.260 616 L HA 0.375 4.715 4.340 -0.000 0.000 0.289 616 L C -0.045 176.841 176.870 0.027 0.000 1.057 616 L CA -0.801 54.078 54.840 0.064 0.000 0.811 616 L CB 0.372 42.471 42.059 0.067 0.000 1.184 616 L HN 0.367 nan 8.230 nan 0.000 0.429 617 N N 5.624 124.324 118.700 -0.000 0.000 2.518 617 N HA 0.108 4.847 4.740 -0.000 0.000 0.266 617 N C 1.368 176.824 175.510 -0.091 0.000 1.196 617 N CA 0.221 53.255 53.050 -0.026 0.000 0.947 617 N CB 1.374 39.849 38.487 -0.021 0.000 1.098 617 N HN 0.797 nan 8.380 nan 0.000 0.450 618 I N -1.332 119.126 120.570 -0.187 0.000 2.700 618 I HA -0.152 4.018 4.170 -0.000 0.000 0.261 618 I C 1.130 177.160 176.117 -0.145 0.000 1.219 618 I CA 1.217 62.359 61.300 -0.264 0.000 1.463 618 I CB -0.058 37.656 38.000 -0.477 0.000 1.092 618 I HN 0.357 nan 8.210 nan 0.000 0.452 619 E N 1.474 121.617 120.200 -0.095 0.000 2.175 619 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 619 E C 2.353 178.920 176.600 -0.055 0.000 0.962 619 E CA 1.570 57.930 56.400 -0.066 0.000 0.981 619 E CB -0.974 28.699 29.700 -0.046 0.000 1.093 619 E HN 0.502 nan 8.360 nan 0.000 0.483 620 T N -0.513 114.015 114.554 -0.045 0.000 2.684 620 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 620 T C 1.492 176.168 174.700 -0.040 0.000 1.036 620 T CA 1.761 63.837 62.100 -0.040 0.000 1.148 620 T CB -0.715 68.131 68.868 -0.037 0.000 0.863 620 T HN 0.474 nan 8.240 nan 0.000 0.436 621 G N 1.415 110.192 108.800 -0.038 0.000 2.326 621 G HA2 0.000 3.960 3.960 -0.000 0.000 0.286 621 G HA3 0.000 3.960 3.960 -0.000 0.000 0.286 621 G C -0.458 174.433 174.900 -0.015 0.000 1.096 621 G CA 0.082 45.166 45.100 -0.028 0.000 1.003 621 G HN 0.639 nan 8.290 nan 0.000 0.503 622 L N -0.912 120.299 121.223 -0.019 0.000 2.271 622 L HA 0.742 5.081 4.340 -0.000 0.000 0.265 622 L C 1.243 178.110 176.870 -0.005 0.000 1.013 622 L CA -1.190 53.626 54.840 -0.040 0.000 0.820 622 L CB 1.046 43.059 42.059 -0.077 0.000 1.352 622 L HN 0.256 nan 8.230 nan 0.000 0.443 623 L N -0.874 120.333 121.223 -0.026 0.000 2.425 623 L HA 0.296 4.636 4.340 -0.000 0.000 0.225 623 L C 0.289 177.193 176.870 0.057 0.000 1.222 623 L CA 0.476 55.322 54.840 0.011 0.000 0.832 623 L CB 0.851 42.911 42.059 0.002 0.000 1.238 623 L HN 0.760 nan 8.230 nan 0.000 0.533 624 S N -2.178 113.611 115.700 0.149 0.000 3.211 624 S HA 0.224 4.693 4.470 -0.000 0.000 0.320 624 S C -1.789 172.964 174.600 0.255 0.000 1.225 624 S CA -0.821 57.492 58.200 0.189 0.000 1.044 624 S CB 0.712 64.038 63.200 0.211 0.000 1.410 624 S HN 0.532 nan 8.310 nan 0.000 0.640 625 D N 1.782 122.304 120.400 0.204 0.000 2.372 625 D HA 0.321 4.961 4.640 -0.000 0.000 0.243 625 D C -0.020 176.312 176.300 0.055 0.000 1.121 625 D CA 0.182 54.255 54.000 0.122 0.000 0.898 625 D CB 0.364 41.212 40.800 0.079 0.000 1.202 625 D HN 0.241 nan 8.370 nan 0.000 0.428 626 R N 1.014 121.503 120.500 -0.018 0.000 2.562 626 R HA 0.538 4.877 4.340 -0.000 0.000 0.298 626 R C -0.898 175.216 176.300 -0.310 0.000 0.961 626 R CA -0.590 55.385 56.100 -0.210 0.000 0.881 626 R CB 1.031 31.394 30.300 0.105 0.000 1.159 626 R HN 0.339 nan 8.270 nan 0.000 0.450 627 K N 1.855 121.913 120.400 -0.571 0.000 2.597 627 K HA 0.238 4.558 4.320 -0.000 0.000 0.282 627 K C -1.826 174.542 176.600 -0.388 0.000 0.975 627 K CA -0.816 55.203 56.287 -0.447 0.000 0.867 627 K CB 2.380 34.619 32.500 -0.435 0.000 1.465 627 K HN 0.403 nan 8.250 nan 0.000 0.417 628 K N 2.040 122.362 120.400 -0.129 0.000 2.292 628 K HA 0.565 4.885 4.320 -0.000 0.000 0.257 628 K C -0.914 175.636 176.600 -0.084 0.000 0.940 628 K CA -0.709 55.480 56.287 -0.163 0.000 0.811 628 K CB 1.452 33.950 32.500 -0.003 0.000 1.120 628 K HN 0.441 nan 8.250 nan 0.000 0.428 629 V N -0.328 119.537 119.914 -0.082 0.000 3.019 629 V HA 0.621 4.741 4.120 -0.000 0.000 0.317 629 V C -0.383 175.703 176.094 -0.014 0.000 1.094 629 V CA -0.763 61.570 62.300 0.056 0.000 1.000 629 V CB 1.585 33.569 31.823 0.268 0.000 1.060 629 V HN 0.781 nan 8.190 nan 0.000 0.443 630 T N 1.652 116.216 114.554 0.017 0.000 2.859 630 T HA 0.660 5.010 4.350 -0.000 0.000 0.281 630 T C 0.035 174.722 174.700 -0.022 0.000 1.005 630 T CA -0.446 61.643 62.100 -0.018 0.000 1.025 630 T CB 0.862 69.719 68.868 -0.019 0.000 0.977 630 T HN 0.691 nan 8.240 nan 0.000 0.458 631 L N 2.694 123.883 121.223 -0.057 0.000 2.650 631 L HA 0.594 4.933 4.340 -0.000 0.000 0.207 631 L C 1.718 178.539 176.870 -0.081 0.000 1.508 631 L CA -0.558 54.223 54.840 -0.099 0.000 2.903 631 L CB -0.577 41.406 42.059 -0.127 0.000 2.706 631 L HN 0.744 nan 8.230 nan 0.000 0.946 632 G N -0.789 107.963 108.800 -0.080 0.000 2.510 632 G HA2 0.288 4.248 3.960 -0.000 0.000 0.280 632 G HA3 0.288 4.248 3.960 -0.000 0.000 0.280 632 G C 0.480 175.351 174.900 -0.048 0.000 1.386 632 G CA 0.567 45.630 45.100 -0.063 0.000 1.047 632 G HN 0.498 nan 8.290 nan 0.000 0.527 633 T N -2.477 112.053 114.554 -0.039 0.000 3.092 633 T HA 0.281 4.631 4.350 -0.000 0.000 0.258 633 T C 0.414 175.097 174.700 -0.029 0.000 1.031 633 T CA -0.149 61.933 62.100 -0.030 0.000 0.925 633 T CB 0.340 69.195 68.868 -0.021 0.000 1.036 633 T HN 0.271 nan 8.240 nan 0.000 0.544 634 Q N 2.025 121.804 119.800 -0.036 0.000 2.195 634 Q HA 0.505 4.845 4.340 -0.000 0.000 0.250 634 Q C -2.722 173.255 176.000 -0.038 0.000 0.988 634 Q CA -2.933 52.849 55.803 -0.035 0.000 0.911 634 Q CB 0.533 29.244 28.738 -0.044 0.000 1.258 634 Q HN 0.145 nan 8.270 nan 0.000 0.475 635 P HA 0.035 nan 4.420 nan 0.000 0.268 635 P C -0.652 176.624 177.300 -0.040 0.000 1.208 635 P CA 0.123 63.206 63.100 -0.028 0.000 0.777 635 P CB 0.380 32.073 31.700 -0.012 0.000 0.875 636 T N 1.337 115.877 114.554 -0.023 0.000 2.786 636 T HA 0.321 4.671 4.350 -0.000 0.000 0.283 636 T C -0.128 174.579 174.700 0.012 0.000 0.992 636 T CA -0.459 61.629 62.100 -0.020 0.000 0.954 636 T CB 0.769 69.627 68.868 -0.017 0.000 0.934 636 T HN 0.052 nan 8.240 nan 0.000 0.440 637 V N 5.379 125.293 119.914 0.001 0.000 2.432 637 V HA 0.383 4.502 4.120 -0.000 0.000 0.275 637 V C -0.026 176.125 176.094 0.094 0.000 1.043 637 V CA -0.749 61.582 62.300 0.051 0.000 0.925 637 V CB 0.774 32.606 31.823 0.016 0.000 0.985 637 V HN 0.717 nan 8.190 nan 0.000 0.466 638 L N 5.824 127.117 121.223 0.117 0.000 2.272 638 L HA 0.707 5.046 4.340 -0.000 0.000 0.289 638 L C 0.032 176.984 176.870 0.137 0.000 1.032 638 L CA -0.273 54.648 54.840 0.134 0.000 0.810 638 L CB 1.184 43.320 42.059 0.129 0.000 1.205 638 L HN 0.578 nan 8.230 nan 0.000 0.422 639 R N 1.287 121.879 120.500 0.152 0.000 2.912 639 R HA 0.649 4.988 4.340 -0.000 0.000 0.262 639 R C -0.820 175.549 176.300 0.116 0.000 1.057 639 R CA -0.445 55.727 56.100 0.121 0.000 0.981 639 R CB 2.149 32.488 30.300 0.065 0.000 1.201 639 R HN 0.506 nan 8.270 nan 0.000 0.484 640 T N 1.568 116.164 114.554 0.070 0.000 2.888 640 T HA 0.708 5.057 4.350 -0.000 0.000 0.284 640 T C -1.351 173.380 174.700 0.052 0.000 1.017 640 T CA -0.491 61.597 62.100 -0.021 0.000 1.022 640 T CB 0.305 69.141 68.868 -0.053 0.000 1.013 640 T HN 0.349 nan 8.240 nan 0.000 0.465 641 F N 1.893 121.844 119.950 0.003 0.000 2.603 641 F HA 0.743 5.270 4.527 -0.000 0.000 0.317 641 F C -0.604 175.198 175.800 0.003 0.000 1.066 641 F CA -1.722 56.277 58.000 -0.002 0.000 0.941 641 F CB 1.243 40.253 39.000 0.016 0.000 1.291 641 F HN 0.603 nan 8.300 nan 0.000 0.472 642 R N 1.653 122.374 120.500 0.369 0.000 2.265 642 R HA 0.632 4.972 4.340 -0.000 0.000 0.319 642 R C -0.431 176.093 176.300 0.372 0.000 1.006 642 R CA 0.348 56.619 56.100 0.285 0.000 0.880 642 R CB 1.293 31.698 30.300 0.175 0.000 1.077 642 R HN 1.090 nan 8.270 nan 0.000 0.454 643 S N 5.248 121.175 115.700 0.377 0.000 3.420 643 S HA 0.230 4.700 4.470 -0.000 0.000 0.173 643 S C 0.895 175.644 174.600 0.248 0.000 0.800 643 S CA -0.194 58.209 58.200 0.337 0.000 0.963 643 S CB -0.606 62.911 63.200 0.528 0.000 1.236 643 S HN 0.563 nan 8.310 nan 0.000 0.827 644 L N 0.806 122.186 121.223 0.263 0.000 2.793 644 L HA 0.662 5.001 4.340 -0.000 0.000 0.188 644 L C 2.055 179.020 176.870 0.158 0.000 1.949 644 L CA -0.149 54.801 54.840 0.183 0.000 2.556 644 L CB -0.615 41.544 42.059 0.166 0.000 2.898 644 L HN 0.511 nan 8.230 nan 0.000 0.621 645 S N -0.635 115.143 115.700 0.131 0.000 2.356 645 S HA -0.133 4.337 4.470 -0.000 0.000 0.223 645 S C 1.256 175.932 174.600 0.126 0.000 1.032 645 S CA 0.940 59.206 58.200 0.110 0.000 1.005 645 S CB -1.592 61.662 63.200 0.089 0.000 0.867 645 S HN 0.843 nan 8.310 nan 0.000 0.449 646 T N 2.613 117.268 114.554 0.169 0.000 2.750 646 T HA 0.405 4.755 4.350 -0.000 0.000 0.286 646 T C 0.036 174.871 174.700 0.225 0.000 0.911 646 T CA -0.315 61.920 62.100 0.226 0.000 1.130 646 T CB -0.143 68.892 68.868 0.279 0.000 0.873 646 T HN 0.458 nan 8.240 nan 0.000 0.536 647 T N 2.926 117.536 114.554 0.093 0.000 2.767 647 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 647 T C -0.144 174.382 174.700 -0.290 0.000 0.973 647 T CA -1.077 61.008 62.100 -0.026 0.000 0.996 647 T CB 0.912 69.761 68.868 -0.033 0.000 0.927 647 T HN 0.674 nan 8.240 nan 0.000 0.456 648 N N 1.521 119.812 118.700 -0.682 0.000 3.294 648 N HA 0.590 5.330 4.740 -0.000 0.000 0.355 648 N C -1.176 173.543 175.510 -1.317 0.000 1.497 648 N CA -0.726 51.817 53.050 -0.844 0.000 0.707 648 N CB 1.681 39.800 38.487 -0.613 0.000 1.732 648 N HN 0.478 nan 8.380 nan 0.000 0.640 649 V N 1.038 120.500 119.914 -0.754 0.000 2.378 649 V HA 0.387 4.507 4.120 -0.000 0.000 0.288 649 V C -0.854 175.291 176.094 0.084 0.000 1.016 649 V CA -0.762 61.387 62.300 -0.251 0.000 0.840 649 V CB 0.828 32.646 31.823 -0.008 0.000 0.994 649 V HN 0.516 nan 8.190 nan 0.000 0.431 650 F N 4.040 124.099 119.950 0.181 0.000 2.405 650 F HA 0.722 5.249 4.527 -0.000 0.000 0.355 650 F C 0.579 176.415 175.800 0.059 0.000 1.121 650 F CA -0.528 57.605 58.000 0.222 0.000 1.112 650 F CB 0.894 40.053 39.000 0.265 0.000 1.126 650 F HN 0.599 nan 8.300 nan 0.000 0.481 651 A N 6.417 129.248 122.820 0.019 0.000 2.260 651 A HA 0.471 4.791 4.320 -0.000 0.000 0.312 651 A C -0.713 176.929 177.584 0.096 0.000 1.321 651 A CA -0.533 51.532 52.037 0.047 0.000 0.928 651 A CB -0.410 18.515 19.000 -0.125 0.000 1.158 651 A HN 0.853 nan 8.150 nan 0.000 0.542 652 C N 2.187 121.643 119.300 0.262 0.000 2.514 652 C HA 0.755 5.215 4.460 -0.000 0.000 0.392 652 C C 1.146 176.137 174.990 0.002 0.000 1.294 652 C CA -0.003 59.132 59.018 0.195 0.000 1.957 652 C CB -0.235 27.531 27.740 0.044 0.000 2.541 652 C HN 0.976 nan 8.230 nan 0.000 0.569 653 S N 0.137 115.819 115.700 -0.031 0.000 2.724 653 S HA 0.262 4.732 4.470 -0.000 0.000 0.278 653 S C 0.469 175.027 174.600 -0.071 0.000 1.190 653 S CA -0.045 58.112 58.200 -0.072 0.000 0.860 653 S CB 0.750 63.900 63.200 -0.082 0.000 1.206 653 S HN 0.864 nan 8.310 nan 0.000 0.507 654 D N 0.360 120.719 120.400 -0.069 0.000 2.277 654 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 654 D C 0.675 176.938 176.300 -0.061 0.000 0.962 654 D CA 0.323 54.287 54.000 -0.059 0.000 0.865 654 D CB 0.128 40.898 40.800 -0.050 0.000 0.939 654 D HN 0.318 nan 8.370 nan 0.000 0.510 655 R N 1.353 121.807 120.500 -0.076 0.000 2.335 655 R HA 0.344 4.684 4.340 -0.000 0.000 0.302 655 R C -2.824 173.397 176.300 -0.132 0.000 1.147 655 R CA -1.763 54.281 56.100 -0.094 0.000 1.111 655 R CB 1.404 31.648 30.300 -0.094 0.000 1.122 655 R HN -0.099 nan 8.270 nan 0.000 0.557 656 P HA 0.145 nan 4.420 nan 0.000 0.276 656 P C -1.111 175.984 177.300 -0.342 0.000 1.243 656 P CA 0.051 63.031 63.100 -0.200 0.000 0.768 656 P CB 1.477 33.111 31.700 -0.108 0.000 0.856 657 T N 2.259 116.534 114.554 -0.465 0.000 2.876 657 T HA 0.465 4.814 4.350 -0.000 0.000 0.289 657 T C -0.400 173.951 174.700 -0.583 0.000 1.014 657 T CA -0.477 61.326 62.100 -0.494 0.000 0.986 657 T CB 1.310 69.848 68.868 -0.550 0.000 1.021 657 T HN -0.036 nan 8.240 nan 0.000 0.458 658 V N 3.116 122.774 119.914 -0.428 0.000 2.667 658 V HA 0.564 4.684 4.120 -0.000 0.000 0.308 658 V C -0.482 175.549 176.094 -0.105 0.000 1.048 658 V CA -0.839 61.301 62.300 -0.266 0.000 0.928 658 V CB 1.806 33.517 31.823 -0.187 0.000 1.004 658 V HN 0.787 nan 8.190 nan 0.000 0.444 659 I N 4.495 125.052 120.570 -0.023 0.000 2.555 659 I HA 0.359 4.529 4.170 -0.000 0.000 0.275 659 I C -0.523 175.577 176.117 -0.027 0.000 1.082 659 I CA -0.160 61.164 61.300 0.040 0.000 1.167 659 I CB 0.321 38.375 38.000 0.091 0.000 1.312 659 I HN 0.508 nan 8.210 nan 0.000 0.493 660 Y N 2.233 122.559 120.300 0.043 0.000 2.561 660 Y HA 0.386 4.936 4.550 -0.000 0.000 0.422 660 Y C 1.083 176.861 175.900 -0.204 0.000 1.402 660 Y CA 0.033 58.145 58.100 0.021 0.000 1.876 660 Y CB 0.711 39.216 38.460 0.075 0.000 1.768 660 Y HN 0.283 nan 8.280 nan 0.000 0.631 661 S N -0.856 114.878 115.700 0.058 0.000 2.557 661 S HA 0.291 4.761 4.470 -0.000 0.000 0.291 661 S C 0.077 174.640 174.600 -0.062 0.000 1.116 661 S CA -0.627 57.473 58.200 -0.167 0.000 0.992 661 S CB 1.783 64.808 63.200 -0.292 0.000 1.028 661 S HN 0.589 nan 8.310 nan 0.000 0.484 662 S N 2.238 117.888 115.700 -0.084 0.000 2.440 662 S HA 0.047 4.516 4.470 -0.000 0.000 0.194 662 S C 1.474 176.064 174.600 -0.018 0.000 0.952 662 S CA 0.894 59.070 58.200 -0.039 0.000 0.898 662 S CB -0.147 63.028 63.200 -0.041 0.000 0.875 662 S HN 0.854 nan 8.310 nan 0.000 0.581 663 N N -1.417 117.278 118.700 -0.009 0.000 2.360 663 N HA 0.174 4.914 4.740 -0.000 0.000 0.211 663 N C 0.822 176.391 175.510 0.099 0.000 1.147 663 N CA 0.485 53.557 53.050 0.038 0.000 0.866 663 N CB 0.086 38.592 38.487 0.030 0.000 1.206 663 N HN 0.506 nan 8.380 nan 0.000 0.478 664 H N -1.562 117.482 119.070 -0.043 0.000 2.691 664 H HA 0.190 4.746 4.556 -0.000 0.000 0.182 664 H C -0.540 174.752 175.328 -0.059 0.000 1.040 664 H CA -0.237 55.797 56.048 -0.023 0.000 0.836 664 H CB 0.964 30.727 29.762 0.003 0.000 0.842 664 H HN 0.004 nan 8.280 nan 0.000 0.574 665 K N 1.634 122.037 120.400 0.006 0.000 2.180 665 K HA 0.326 4.645 4.320 -0.000 0.000 0.251 665 K C -0.168 176.277 176.600 -0.258 0.000 1.014 665 K CA -0.257 55.965 56.287 -0.108 0.000 0.913 665 K CB 0.882 33.325 32.500 -0.095 0.000 1.008 665 K HN 0.050 nan 8.250 nan 0.000 0.490 666 L N 3.151 124.159 121.223 -0.357 0.000 2.272 666 L HA 0.251 4.591 4.340 -0.000 0.000 0.289 666 L C 0.066 176.798 176.870 -0.230 0.000 1.032 666 L CA -0.977 53.606 54.840 -0.428 0.000 0.810 666 L CB 1.403 43.107 42.059 -0.592 0.000 1.205 666 L HN 0.344 nan 8.230 nan 0.000 0.422 667 V N 3.141 123.001 119.914 -0.089 0.000 3.332 667 V HA -0.017 4.103 4.120 -0.000 0.000 0.305 667 V C -0.239 175.980 176.094 0.209 0.000 1.114 667 V CA 0.549 62.880 62.300 0.051 0.000 1.194 667 V CB 0.656 32.554 31.823 0.126 0.000 1.027 667 V HN 0.516 nan 8.190 nan 0.000 0.492 668 F N 1.873 121.774 119.950 -0.083 0.000 3.020 668 F HA 0.380 4.907 4.527 -0.000 0.000 0.389 668 F C 0.018 175.774 175.800 -0.073 0.000 1.265 668 F CA -0.409 57.531 58.000 -0.100 0.000 1.195 668 F CB 0.920 39.834 39.000 -0.144 0.000 2.250 668 F HN 0.531 nan 8.300 nan 0.000 0.627 669 S N 0.667 116.313 115.700 -0.090 0.000 2.599 669 S HA 0.628 5.098 4.470 -0.000 0.000 0.287 669 S C -0.589 173.919 174.600 -0.155 0.000 1.105 669 S CA -1.085 57.062 58.200 -0.088 0.000 0.899 669 S CB 1.964 65.157 63.200 -0.012 0.000 1.100 669 S HN 0.181 nan 8.310 nan 0.000 0.482 670 N N 0.229 118.849 118.700 -0.133 0.000 2.381 670 N HA 0.316 5.056 4.740 -0.000 0.000 0.241 670 N C -0.866 174.554 175.510 -0.149 0.000 1.279 670 N CA -0.026 52.934 53.050 -0.150 0.000 0.896 670 N CB 0.440 38.863 38.487 -0.108 0.000 1.118 670 N HN 0.538 nan 8.380 nan 0.000 0.438 671 V N 1.850 121.662 119.914 -0.169 0.000 2.525 671 V HA 0.169 4.288 4.120 -0.000 0.000 0.299 671 V C -0.140 175.891 176.094 -0.104 0.000 1.034 671 V CA -1.049 61.159 62.300 -0.154 0.000 0.863 671 V CB 1.491 33.172 31.823 -0.237 0.000 0.999 671 V HN 0.511 nan 8.190 nan 0.000 0.423 672 N N 5.848 124.497 118.700 -0.085 0.000 2.484 672 N HA 0.251 4.991 4.740 -0.000 0.000 0.295 672 N C -0.786 174.690 175.510 -0.056 0.000 1.240 672 N CA 0.407 53.416 53.050 -0.068 0.000 1.085 672 N CB 0.356 38.800 38.487 -0.071 0.000 1.465 672 N HN 0.505 nan 8.380 nan 0.000 0.496 673 L N 0.883 122.079 121.223 -0.045 0.000 2.466 673 L HA 0.204 4.543 4.340 -0.000 0.000 0.258 673 L C 1.135 177.988 176.870 -0.029 0.000 0.973 673 L CA -0.701 54.121 54.840 -0.029 0.000 0.826 673 L CB 2.174 44.232 42.059 -0.002 0.000 1.372 673 L HN 0.023 nan 8.230 nan 0.000 0.409 674 K N 1.295 121.680 120.400 -0.026 0.000 1.990 674 K HA -0.106 4.214 4.320 -0.000 0.000 0.225 674 K C 0.054 176.637 176.600 -0.028 0.000 1.053 674 K CA 1.907 58.179 56.287 -0.025 0.000 0.982 674 K CB 0.069 32.556 32.500 -0.022 0.000 0.734 674 K HN 0.618 nan 8.250 nan 0.000 0.448 675 E N -1.274 118.909 120.200 -0.027 0.000 2.422 675 E HA 0.269 4.618 4.350 -0.000 0.000 0.289 675 E C -1.884 174.698 176.600 -0.031 0.000 0.985 675 E CA -0.570 55.810 56.400 -0.033 0.000 0.812 675 E CB 1.661 31.338 29.700 -0.039 0.000 1.226 675 E HN -0.051 nan 8.360 nan 0.000 0.419 676 V N 4.910 124.809 119.914 -0.025 0.000 2.407 676 V HA 0.298 4.418 4.120 -0.000 0.000 0.291 676 V C 0.543 176.573 176.094 -0.107 0.000 1.018 676 V CA -0.538 61.748 62.300 -0.023 0.000 0.842 676 V CB 1.438 33.327 31.823 0.109 0.000 0.996 676 V HN 0.743 nan 8.190 nan 0.000 0.426 677 N N 2.865 121.445 118.700 -0.200 0.000 2.333 677 N HA 0.158 4.898 4.740 -0.000 0.000 0.183 677 N C -0.803 174.206 175.510 -0.834 0.000 1.030 677 N CA 0.910 53.665 53.050 -0.492 0.000 0.867 677 N CB 0.436 38.682 38.487 -0.400 0.000 1.027 677 N HN 0.599 nan 8.380 nan 0.000 0.435 678 Y N -0.354 119.870 120.300 -0.126 0.000 2.513 678 Y HA 0.508 5.058 4.550 -0.001 0.000 0.340 678 Y C -0.358 175.371 175.900 -0.284 0.000 1.055 678 Y CA -0.979 57.006 58.100 -0.192 0.000 1.020 678 Y CB 1.826 40.158 38.460 -0.213 0.000 1.301 678 Y HN -0.141 nan 8.280 nan 0.000 0.453 679 M N 3.861 123.339 119.600 -0.204 0.000 2.520 679 M HA 0.781 5.261 4.480 -0.000 0.000 0.280 679 M C -1.930 174.185 176.300 -0.308 0.000 1.232 679 M CA -0.558 54.522 55.300 -0.368 0.000 0.892 679 M CB 1.926 34.064 32.600 -0.770 0.000 1.728 679 M HN 0.997 nan 8.290 nan 0.000 0.475 680 C N 1.675 120.809 119.300 -0.276 0.000 3.239 680 C HA 0.936 5.396 4.460 -0.000 0.000 0.317 680 C C -2.983 171.916 174.990 -0.150 0.000 1.310 680 C CA -1.283 57.617 59.018 -0.196 0.000 1.371 680 C CB 1.674 29.282 27.740 -0.220 0.000 1.714 680 C HN 0.711 nan 8.230 nan 0.000 0.473 681 P HA 0.649 nan 4.420 nan 0.000 0.273 681 P C -0.768 176.427 177.300 -0.175 0.000 1.250 681 P CA -0.123 62.927 63.100 -0.082 0.000 0.793 681 P CB 0.506 32.189 31.700 -0.028 0.000 1.011 682 L N 0.362 121.501 121.223 -0.140 0.000 2.656 682 L HA 0.585 4.925 4.340 -0.000 0.000 0.252 682 L C -0.468 176.439 176.870 0.061 0.000 1.129 682 L CA -0.326 54.425 54.840 -0.149 0.000 0.962 682 L CB 1.731 43.772 42.059 -0.030 0.000 1.565 682 L HN 0.342 nan 8.230 nan 0.000 0.389 683 N N -0.355 118.510 118.700 0.276 0.000 3.262 683 N HA -0.004 4.735 4.740 -0.000 0.000 0.168 683 N C -1.167 174.497 175.510 0.256 0.000 1.135 683 N CA 0.098 53.341 53.050 0.323 0.000 2.492 683 N CB 0.358 39.088 38.487 0.406 0.000 1.319 683 N HN 0.450 nan 8.380 nan 0.000 0.744 684 S N 0.453 116.284 115.700 0.219 0.000 2.580 684 S HA 0.002 4.472 4.470 -0.000 0.000 0.266 684 S C 1.125 175.750 174.600 0.041 0.000 1.354 684 S CA 0.204 58.490 58.200 0.143 0.000 1.008 684 S CB 0.546 63.847 63.200 0.168 0.000 0.898 684 S HN 0.386 nan 8.310 nan 0.000 0.555 685 D N 0.893 121.289 120.400 -0.008 0.000 2.324 685 D HA 0.110 4.750 4.640 -0.000 0.000 0.235 685 D C 1.025 177.240 176.300 -0.140 0.000 1.095 685 D CA 0.463 54.428 54.000 -0.060 0.000 0.871 685 D CB -0.421 40.349 40.800 -0.050 0.000 0.906 685 D HN 0.514 nan 8.370 nan 0.000 0.522 686 G N -1.107 107.562 108.800 -0.220 0.000 2.727 686 G HA2 0.099 4.059 3.960 -0.000 0.000 0.207 686 G HA3 0.099 4.059 3.960 -0.000 0.000 0.207 686 G C -0.276 174.102 174.900 -0.869 0.000 1.060 686 G CA -0.340 44.433 45.100 -0.545 0.000 0.814 686 G HN 0.207 nan 8.290 nan 0.000 0.576 687 Y N 1.034 121.285 120.300 -0.081 0.000 2.516 687 Y HA 0.377 4.927 4.550 -0.000 0.000 0.329 687 Y C -2.714 173.157 175.900 -0.049 0.000 1.095 687 Y CA -2.526 55.494 58.100 -0.132 0.000 1.213 687 Y CB 1.339 39.739 38.460 -0.101 0.000 1.109 687 Y HN -0.032 nan 8.280 nan 0.000 0.630 688 P HA 0.047 nan 4.420 nan 0.000 0.274 688 P C 0.680 178.040 177.300 0.100 0.000 1.237 688 P CA 0.170 63.319 63.100 0.082 0.000 0.793 688 P CB 0.789 32.513 31.700 0.040 0.000 0.977 689 D N -0.976 119.495 120.400 0.117 0.000 3.059 689 D HA -0.166 4.474 4.640 -0.000 0.000 0.222 689 D C -0.534 175.829 176.300 0.105 0.000 1.185 689 D CA 0.854 54.922 54.000 0.113 0.000 0.904 689 D CB -0.542 40.319 40.800 0.103 0.000 1.122 689 D HN 0.321 nan 8.370 nan 0.000 0.410 690 S N -0.538 115.226 115.700 0.107 0.000 2.593 690 S HA 0.487 4.957 4.470 -0.000 0.000 0.269 690 S C 0.552 175.167 174.600 0.026 0.000 1.334 690 S CA -0.315 57.943 58.200 0.096 0.000 1.015 690 S CB 1.507 64.778 63.200 0.118 0.000 0.912 690 S HN 0.209 nan 8.310 nan 0.000 0.541 691 L N 1.542 122.758 121.223 -0.010 0.000 2.341 691 L HA 0.628 4.967 4.340 -0.000 0.000 0.278 691 L C 0.054 176.853 176.870 -0.117 0.000 1.005 691 L CA -0.848 53.940 54.840 -0.087 0.000 0.818 691 L CB 1.503 43.483 42.059 -0.132 0.000 1.259 691 L HN 0.679 nan 8.230 nan 0.000 0.418 692 A N 4.198 126.925 122.820 -0.155 0.000 2.309 692 A HA 0.825 5.145 4.320 -0.000 0.000 0.298 692 A C -0.798 176.662 177.584 -0.206 0.000 1.165 692 A CA -0.278 51.663 52.037 -0.160 0.000 0.821 692 A CB 0.888 19.800 19.000 -0.146 0.000 1.102 692 A HN 0.554 nan 8.150 nan 0.000 0.500 693 L N 0.800 121.923 121.223 -0.167 0.000 2.393 693 L HA 0.856 5.196 4.340 -0.000 0.000 0.260 693 L C 0.062 176.870 176.870 -0.103 0.000 1.002 693 L CA 0.151 54.891 54.840 -0.167 0.000 0.818 693 L CB 2.277 44.246 42.059 -0.150 0.000 1.369 693 L HN 1.007 nan 8.230 nan 0.000 0.412 694 A N 1.482 124.255 122.820 -0.078 0.000 2.594 694 A HA 0.853 5.173 4.320 -0.000 0.000 0.295 694 A C -1.207 176.363 177.584 -0.023 0.000 1.071 694 A CA -0.509 51.511 52.037 -0.029 0.000 0.685 694 A CB 1.681 20.687 19.000 0.009 0.000 1.285 694 A HN 0.741 nan 8.150 nan 0.000 0.405 695 N N 0.642 119.332 118.700 -0.017 0.000 3.628 695 N HA 0.153 4.893 4.740 -0.000 0.000 0.321 695 N C 0.655 176.156 175.510 -0.015 0.000 1.482 695 N CA -0.305 52.728 53.050 -0.028 0.000 0.637 695 N CB -0.330 38.134 38.487 -0.039 0.000 3.164 695 N HN 0.451 nan 8.380 nan 0.000 0.551 696 N N 0.609 119.294 118.700 -0.024 0.000 2.007 696 N HA -0.131 4.608 4.740 -0.000 0.000 0.197 696 N C 0.216 175.708 175.510 -0.031 0.000 1.050 696 N CA 2.123 55.158 53.050 -0.024 0.000 0.856 696 N CB -0.235 38.239 38.487 -0.021 0.000 1.050 696 N HN 0.729 nan 8.380 nan 0.000 0.423 697 S N -2.490 113.196 115.700 -0.022 0.000 2.627 697 S HA 0.597 5.067 4.470 -0.000 0.000 0.283 697 S C -0.999 173.595 174.600 -0.010 0.000 1.127 697 S CA -0.329 57.861 58.200 -0.017 0.000 0.863 697 S CB 2.238 65.433 63.200 -0.007 0.000 1.121 697 S HN 0.295 nan 8.310 nan 0.000 0.479 698 T N 0.857 115.410 114.554 -0.001 0.000 0.643 698 T HA -0.090 4.260 4.350 -0.000 0.000 0.764 698 T C -0.876 173.816 174.700 -0.014 0.000 0.990 698 T CA -0.086 62.013 62.100 -0.003 0.000 4.027 698 T CB -1.053 67.810 68.868 -0.009 0.000 2.276 698 T HN 1.096 nan 8.240 nan 0.000 0.395 699 L N 4.204 125.417 121.223 -0.016 0.000 2.421 699 L HA 0.835 5.175 4.340 -0.000 0.000 0.263 699 L C 0.697 177.534 176.870 -0.056 0.000 1.122 699 L CA 0.372 55.189 54.840 -0.038 0.000 0.804 699 L CB 1.458 43.495 42.059 -0.038 0.000 1.150 699 L HN 0.893 nan 8.230 nan 0.000 0.457 700 T N 2.716 117.223 114.554 -0.078 0.000 2.900 700 T HA 0.725 5.075 4.350 -0.000 0.000 0.303 700 T C -0.804 173.831 174.700 -0.109 0.000 1.142 700 T CA -0.699 61.349 62.100 -0.086 0.000 1.007 700 T CB 1.647 70.475 68.868 -0.066 0.000 1.156 700 T HN 0.596 nan 8.240 nan 0.000 0.490 701 I N -1.789 118.718 120.570 -0.104 0.000 2.802 701 I HA 0.948 5.118 4.170 -0.000 0.000 0.298 701 I C -0.104 176.060 176.117 0.078 0.000 1.176 701 I CA -0.821 60.436 61.300 -0.071 0.000 1.025 701 I CB 1.312 39.178 38.000 -0.222 0.000 1.243 701 I HN 1.334 nan 8.210 nan 0.000 0.424 702 G N 2.420 111.305 108.800 0.141 0.000 2.312 702 G HA2 0.321 4.281 3.960 -0.000 0.000 0.347 702 G HA3 0.321 4.281 3.960 -0.000 0.000 0.347 702 G C -0.506 174.485 174.900 0.150 0.000 1.564 702 G CA -0.338 44.904 45.100 0.236 0.000 0.981 702 G HN 1.189 nan 8.290 nan 0.000 0.678 703 T N -0.430 114.253 114.554 0.215 0.000 2.906 703 T HA 0.445 4.795 4.350 -0.000 0.000 0.320 703 T C 0.703 175.492 174.700 0.149 0.000 1.088 703 T CA -0.238 61.961 62.100 0.165 0.000 1.120 703 T CB 0.789 69.754 68.868 0.161 0.000 1.000 703 T HN 0.628 nan 8.240 nan 0.000 0.550 704 I N 2.137 122.752 120.570 0.075 0.000 2.566 704 I HA 0.338 4.508 4.170 -0.000 0.000 0.303 704 I C 0.945 177.092 176.117 0.050 0.000 0.983 704 I CA -0.666 60.644 61.300 0.017 0.000 1.235 704 I CB 1.489 39.442 38.000 -0.079 0.000 1.386 704 I HN 0.816 nan 8.210 nan 0.000 0.494 705 D N 3.038 123.426 120.400 -0.019 0.000 2.025 705 D HA 0.046 4.686 4.640 -0.000 0.000 0.270 705 D C 0.719 177.015 176.300 -0.006 0.000 1.135 705 D CA 0.060 54.023 54.000 -0.061 0.000 0.978 705 D CB 0.360 41.032 40.800 -0.212 0.000 1.178 705 D HN 0.513 nan 8.370 nan 0.000 0.487 706 E N -0.968 119.190 120.200 -0.071 0.000 3.788 706 E HA 0.376 4.726 4.350 -0.000 0.000 0.520 706 E C 0.406 176.829 176.600 -0.296 0.000 0.441 706 E CA -0.275 56.071 56.400 -0.089 0.000 3.107 706 E CB 0.467 30.180 29.700 0.023 0.000 2.281 706 E HN 0.228 nan 8.360 nan 0.000 0.492 707 I N -0.727 119.616 120.570 -0.379 0.000 4.039 707 I HA 0.133 4.302 4.170 -0.000 0.000 0.245 707 I C -0.558 175.466 176.117 -0.155 0.000 1.135 707 I CA -0.935 60.013 61.300 -0.586 0.000 1.354 707 I CB 0.876 38.434 38.000 -0.737 0.000 1.382 707 I HN 0.588 nan 8.210 nan 0.000 0.455 708 Q N 1.524 121.274 119.800 -0.084 0.000 0.749 708 Q HA -0.325 4.015 4.340 -0.000 0.000 0.182 708 Q C -0.628 175.377 176.000 0.008 0.000 1.126 708 Q CA 1.567 57.359 55.803 -0.018 0.000 0.197 708 Q CB -0.540 28.185 28.738 -0.022 0.000 5.540 708 Q HN 0.762 nan 8.270 nan 0.000 0.300 709 K N -0.048 120.360 120.400 0.013 0.000 2.067 709 K HA 0.256 4.576 4.320 -0.000 0.000 0.203 709 K C 0.643 177.257 176.600 0.023 0.000 1.048 709 K CA 0.904 57.199 56.287 0.014 0.000 0.954 709 K CB 0.214 32.725 32.500 0.017 0.000 0.737 709 K HN 0.457 nan 8.250 nan 0.000 0.444 710 L N 2.391 123.628 121.223 0.024 0.000 2.255 710 L HA 0.186 4.526 4.340 -0.000 0.000 0.289 710 L C -0.501 176.393 176.870 0.038 0.000 1.046 710 L CA -0.789 54.065 54.840 0.024 0.000 0.816 710 L CB 0.850 42.909 42.059 -0.001 0.000 1.197 710 L HN 0.249 nan 8.230 nan 0.000 0.427 711 H N 4.061 123.104 119.070 -0.044 0.000 2.610 711 H HA 0.480 5.035 4.556 -0.000 0.000 0.336 711 H C -0.832 174.459 175.328 -0.062 0.000 1.087 711 H CA 0.104 56.121 56.048 -0.052 0.000 1.405 711 H CB 0.885 30.618 29.762 -0.050 0.000 1.460 711 H HN 0.412 nan 8.280 nan 0.000 0.538 712 I N 5.876 126.057 120.570 -0.649 0.000 2.418 712 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 712 I C 1.004 176.785 176.117 -0.561 0.000 1.008 712 I CA -0.423 60.602 61.300 -0.458 0.000 1.104 712 I CB 1.713 39.554 38.000 -0.265 0.000 1.264 712 I HN 0.666 nan 8.210 nan 0.000 0.438 713 R N 2.908 123.169 120.500 -0.398 0.000 2.036 713 R HA 0.242 4.582 4.340 -0.000 0.000 0.216 713 R C -0.525 175.622 176.300 -0.256 0.000 1.241 713 R CA 1.016 56.932 56.100 -0.306 0.000 0.964 713 R CB 0.260 30.393 30.300 -0.278 0.000 0.828 713 R HN 0.723 nan 8.270 nan 0.000 0.468 714 T N -0.388 114.001 114.554 -0.275 0.000 0.862 714 T HA -0.058 4.291 4.350 -0.000 0.000 0.744 714 T C -1.219 173.341 174.700 -0.232 0.000 0.985 714 T CA -0.010 61.946 62.100 -0.239 0.000 3.926 714 T CB -0.569 68.184 68.868 -0.192 0.000 2.226 714 T HN 0.118 nan 8.240 nan 0.000 0.399 715 V N 5.583 125.349 119.914 -0.247 0.000 2.266 715 V HA 0.350 4.470 4.120 -0.000 0.000 0.271 715 V C -1.813 174.173 176.094 -0.180 0.000 1.032 715 V CA -1.628 60.562 62.300 -0.183 0.000 0.806 715 V CB 1.239 32.955 31.823 -0.178 0.000 1.052 715 V HN 0.667 nan 8.190 nan 0.000 0.449 716 P HA 0.108 nan 4.420 nan 0.000 0.259 716 P C 0.638 177.696 177.300 -0.403 0.000 1.211 716 P CA 0.317 63.158 63.100 -0.432 0.000 0.810 716 P CB 0.994 32.378 31.700 -0.527 0.000 0.815 717 L N 2.751 123.772 121.223 -0.338 0.000 2.307 717 L HA -0.022 4.317 4.340 -0.000 0.000 0.211 717 L C 0.912 177.791 176.870 0.016 0.000 1.099 717 L CA 0.425 55.201 54.840 -0.108 0.000 0.816 717 L CB -0.713 41.292 42.059 -0.089 0.000 0.952 717 L HN 0.323 nan 8.230 nan 0.000 0.455 718 Y N -0.991 119.288 120.300 -0.034 0.000 4.897 718 Y HA -0.385 4.164 4.550 -0.000 0.000 0.263 718 Y C 1.235 177.127 175.900 -0.013 0.000 0.945 718 Y CA 1.071 59.158 58.100 -0.022 0.000 1.858 718 Y CB -1.715 36.734 38.460 -0.018 0.000 1.296 718 Y HN 0.476 nan 8.280 nan 0.000 0.490 719 E N 0.610 120.846 120.200 0.060 0.000 3.446 719 E HA 0.740 5.090 4.350 -0.000 0.000 0.229 719 E C -0.227 176.343 176.600 -0.050 0.000 0.740 719 E CA -0.259 56.155 56.400 0.024 0.000 1.531 719 E CB 1.026 30.731 29.700 0.009 0.000 1.891 719 E HN 0.058 nan 8.360 nan 0.000 0.383 720 S N 0.867 116.513 115.700 -0.091 0.000 2.750 720 S HA 0.413 4.883 4.470 -0.000 0.000 0.276 720 S C -2.896 171.611 174.600 -0.156 0.000 1.165 720 S CA -1.377 56.727 58.200 -0.160 0.000 1.047 720 S CB 1.539 64.600 63.200 -0.230 0.000 1.056 720 S HN 0.258 nan 8.310 nan 0.000 0.481 721 P HA 0.465 nan 4.420 nan 0.000 0.290 721 P C 0.043 177.283 177.300 -0.101 0.000 1.276 721 P CA -0.774 62.261 63.100 -0.108 0.000 0.808 721 P CB 1.329 32.968 31.700 -0.102 0.000 0.966 722 R N 2.108 122.568 120.500 -0.067 0.000 2.087 722 R HA 0.257 4.597 4.340 -0.000 0.000 0.213 722 R C 0.642 176.934 176.300 -0.013 0.000 1.137 722 R CA 0.622 56.700 56.100 -0.037 0.000 1.022 722 R CB 0.062 30.363 30.300 0.001 0.000 0.920 722 R HN 0.460 nan 8.270 nan 0.000 0.451 723 K N 0.506 120.905 120.400 -0.003 0.000 2.509 723 K HA 0.487 4.807 4.320 -0.000 0.000 0.266 723 K C -1.296 175.304 176.600 -0.001 0.000 0.987 723 K CA -0.749 55.544 56.287 0.010 0.000 0.868 723 K CB 2.996 35.519 32.500 0.039 0.000 1.421 723 K HN -0.077 nan 8.250 nan 0.000 0.444 724 I N 0.545 121.123 120.570 0.014 0.000 2.582 724 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 724 I C -1.442 174.728 176.117 0.090 0.000 1.066 724 I CA -0.491 60.825 61.300 0.026 0.000 1.053 724 I CB 1.418 39.407 38.000 -0.017 0.000 1.241 724 I HN 0.611 nan 8.210 nan 0.000 0.421 725 C N 5.489 124.858 119.300 0.115 0.000 2.712 725 C HA 0.471 4.930 4.460 -0.000 0.000 0.308 725 C C -1.082 174.112 174.990 0.340 0.000 1.201 725 C CA -0.548 58.575 59.018 0.176 0.000 1.554 725 C CB 1.666 29.439 27.740 0.055 0.000 2.117 725 C HN 0.652 nan 8.230 nan 0.000 0.480 726 Y N 2.511 122.933 120.300 0.203 0.000 2.464 726 Y HA 0.427 4.977 4.550 -0.000 0.000 0.326 726 Y C 0.124 176.065 175.900 0.070 0.000 0.969 726 Y CA -0.101 58.057 58.100 0.098 0.000 1.270 726 Y CB 0.435 38.957 38.460 0.103 0.000 1.103 726 Y HN 0.726 nan 8.280 nan 0.000 0.491 727 Q N 5.158 124.785 119.800 -0.288 0.000 2.361 727 Q HA 0.086 4.426 4.340 -0.000 0.000 0.250 727 Q C 0.944 176.474 176.000 -0.783 0.000 1.023 727 Q CA -0.044 55.553 55.803 -0.344 0.000 0.915 727 Q CB 0.826 29.524 28.738 -0.067 0.000 1.238 727 Q HN 0.878 nan 8.270 nan 0.000 0.451 728 E N 3.635 123.339 120.200 -0.826 0.000 2.140 728 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 728 E C 1.499 177.922 176.600 -0.296 0.000 0.973 728 E CA 0.758 56.734 56.400 -0.706 0.000 0.829 728 E CB 0.264 29.753 29.700 -0.352 0.000 0.781 728 E HN 0.607 nan 8.360 nan 0.000 0.466 729 V N 0.667 120.445 119.914 -0.226 0.000 2.546 729 V HA -0.200 3.920 4.120 -0.000 0.000 0.254 729 V C 1.823 177.828 176.094 -0.148 0.000 1.076 729 V CA 2.423 64.631 62.300 -0.154 0.000 1.087 729 V CB -0.229 31.508 31.823 -0.144 0.000 0.674 729 V HN 0.156 nan 8.190 nan 0.000 0.470 730 S N -1.079 114.509 115.700 -0.188 0.000 2.503 730 S HA 0.163 4.633 4.470 -0.000 0.000 0.215 730 S C 0.474 175.023 174.600 -0.085 0.000 1.003 730 S CA 0.181 58.312 58.200 -0.116 0.000 0.910 730 S CB 0.035 63.169 63.200 -0.109 0.000 0.790 730 S HN 0.797 nan 8.310 nan 0.000 0.514 731 Q N 0.104 119.797 119.800 -0.178 0.000 2.464 731 Q HA -0.168 4.172 4.340 -0.000 0.000 0.304 731 Q C -0.508 175.414 176.000 -0.131 0.000 1.401 731 Q CA 0.811 56.539 55.803 -0.124 0.000 0.806 731 Q CB -2.629 26.119 28.738 0.018 0.000 1.134 731 Q HN 0.753 nan 8.270 nan 0.000 0.411 732 C N -3.128 116.026 119.300 -0.244 0.000 3.302 732 C HA 0.769 5.228 4.460 -0.000 0.000 0.347 732 C C -0.486 174.380 174.990 -0.207 0.000 1.218 732 C CA -1.338 57.567 59.018 -0.188 0.000 1.234 732 C CB 1.156 28.859 27.740 -0.061 0.000 1.551 732 C HN 0.265 nan 8.230 nan 0.000 0.501 733 F N 1.281 121.274 119.950 0.070 0.000 2.399 733 F HA 0.639 5.166 4.527 -0.000 0.000 0.334 733 F C 1.164 176.898 175.800 -0.109 0.000 1.097 733 F CA 0.483 58.524 58.000 0.068 0.000 1.076 733 F CB 1.836 40.899 39.000 0.104 0.000 1.162 733 F HN 1.029 nan 8.300 nan 0.000 0.495 734 G N 1.760 110.488 108.800 -0.120 0.000 2.335 734 G HA2 0.578 4.538 3.960 -0.000 0.000 0.316 734 G HA3 0.578 4.538 3.960 -0.000 0.000 0.316 734 G C -1.662 173.123 174.900 -0.191 0.000 1.129 734 G CA -0.523 44.292 45.100 -0.474 0.000 0.899 734 G HN 0.503 nan 8.290 nan 0.000 0.448 735 V N 3.692 123.534 119.914 -0.119 0.000 2.668 735 V HA 0.320 4.440 4.120 -0.000 0.000 0.304 735 V C -0.101 175.981 176.094 -0.021 0.000 1.071 735 V CA -0.661 61.610 62.300 -0.047 0.000 0.894 735 V CB 1.816 33.625 31.823 -0.023 0.000 1.008 735 V HN 0.669 nan 8.190 nan 0.000 0.425 736 L N 4.833 126.057 121.223 0.002 0.000 2.319 736 L HA 0.563 4.902 4.340 -0.000 0.000 0.280 736 L C 0.664 177.537 176.870 0.004 0.000 1.099 736 L CA 0.285 55.155 54.840 0.050 0.000 0.828 736 L CB 1.355 43.452 42.059 0.062 0.000 1.150 736 L HN 0.856 nan 8.230 nan 0.000 0.442 737 S N 1.659 117.359 115.700 -0.001 0.000 2.806 737 S HA 0.776 5.246 4.470 -0.000 0.000 0.315 737 S C -0.424 174.031 174.600 -0.243 0.000 1.127 737 S CA -0.750 57.396 58.200 -0.090 0.000 0.918 737 S CB 2.134 65.300 63.200 -0.057 0.000 1.240 737 S HN 0.522 nan 8.310 nan 0.000 0.552 738 S N 0.160 115.680 115.700 -0.299 0.000 2.626 738 S HA 0.516 4.985 4.470 -0.000 0.000 0.275 738 S C -1.268 173.199 174.600 -0.221 0.000 1.175 738 S CA -0.947 56.949 58.200 -0.506 0.000 0.982 738 S CB 0.623 63.367 63.200 -0.760 0.000 1.093 738 S HN 0.992 nan 8.310 nan 0.000 0.472 739 R N 3.668 124.082 120.500 -0.144 0.000 2.711 739 R HA 0.714 5.054 4.340 -0.000 0.000 0.284 739 R C -0.739 175.550 176.300 -0.019 0.000 0.968 739 R CA -0.953 55.123 56.100 -0.040 0.000 0.924 739 R CB 1.124 31.418 30.300 -0.011 0.000 1.162 739 R HN 0.529 nan 8.270 nan 0.000 0.465 740 I N 1.889 122.463 120.570 0.006 0.000 2.396 740 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 740 I C 0.178 176.297 176.117 0.003 0.000 0.999 740 I CA -0.222 61.078 61.300 -0.000 0.000 1.310 740 I CB 1.409 39.390 38.000 -0.032 0.000 1.404 740 I HN 0.605 nan 8.210 nan 0.000 0.496 741 E N 4.402 124.610 120.200 0.013 0.000 2.378 741 E HA 0.603 4.953 4.350 -0.000 0.000 0.265 741 E C -1.351 175.257 176.600 0.013 0.000 0.932 741 E CA -0.940 55.468 56.400 0.014 0.000 0.795 741 E CB 2.861 32.575 29.700 0.024 0.000 1.296 741 E HN 0.380 nan 8.360 nan 0.000 0.438 742 V N -0.985 118.935 119.914 0.010 0.000 2.581 742 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 742 V C -0.327 175.777 176.094 0.016 0.000 1.041 742 V CA -1.186 61.120 62.300 0.010 0.000 0.907 742 V CB 1.194 33.019 31.823 0.003 0.000 0.994 742 V HN 0.739 nan 8.190 nan 0.000 0.442 743 Q N 1.863 121.675 119.800 0.019 0.000 2.304 743 Q HA 0.297 4.636 4.340 -0.000 0.000 0.301 743 Q C -0.461 175.547 176.000 0.015 0.000 1.063 743 Q CA 0.375 56.190 55.803 0.020 0.000 0.947 743 Q CB 0.131 28.881 28.738 0.021 0.000 1.201 743 Q HN 0.983 nan 8.270 nan 0.000 0.389 744 D N 0.807 121.216 120.400 0.015 0.000 2.467 744 D HA 0.210 4.850 4.640 -0.000 0.000 0.245 744 D C 0.621 176.928 176.300 0.011 0.000 1.038 744 D CA -0.325 53.682 54.000 0.011 0.000 1.038 744 D CB 0.694 41.501 40.800 0.010 0.000 1.278 744 D HN 0.582 nan 8.370 nan 0.000 0.564 745 T N -2.357 112.203 114.554 0.009 0.000 2.788 745 T HA -0.212 4.137 4.350 -0.000 0.000 0.268 745 T C 1.801 176.507 174.700 0.009 0.000 1.044 745 T CA 1.739 63.844 62.100 0.008 0.000 1.139 745 T CB -0.866 68.006 68.868 0.006 0.000 0.867 745 T HN 0.475 nan 8.240 nan 0.000 0.454 746 S N 1.542 117.248 115.700 0.009 0.000 2.345 746 S HA 0.302 4.772 4.470 -0.000 0.000 0.220 746 S C 2.053 176.660 174.600 0.012 0.000 1.031 746 S CA 1.084 59.290 58.200 0.010 0.000 0.996 746 S CB -0.878 62.328 63.200 0.010 0.000 0.882 746 S HN 1.178 nan 8.310 nan 0.000 0.445 747 G N -0.576 108.232 108.800 0.015 0.000 4.106 747 G HA2 0.319 4.279 3.960 -0.000 0.000 0.220 747 G HA3 0.319 4.279 3.960 -0.000 0.000 0.220 747 G C 0.211 175.124 174.900 0.022 0.000 0.853 747 G CA 0.024 45.134 45.100 0.018 0.000 0.920 747 G HN 0.926 nan 8.290 nan 0.000 0.715 748 G N -0.284 108.529 108.800 0.021 0.000 2.857 748 G HA2 0.790 4.750 3.960 -0.000 0.000 0.217 748 G HA3 0.790 4.750 3.960 -0.000 0.000 0.217 748 G C -0.002 174.913 174.900 0.025 0.000 1.357 748 G CA 0.395 45.511 45.100 0.025 0.000 1.033 748 G HN 1.031 nan 8.290 nan 0.000 0.571 749 T N -3.284 111.286 114.554 0.027 0.000 2.916 749 T HA 0.737 5.087 4.350 -0.000 0.000 0.292 749 T C 0.209 174.920 174.700 0.019 0.000 1.064 749 T CA 0.162 62.277 62.100 0.025 0.000 1.011 749 T CB 1.722 70.610 68.868 0.033 0.000 1.152 749 T HN 1.035 nan 8.240 nan 0.000 0.510 750 T N -1.467 113.095 114.554 0.014 0.000 2.541 750 T HA 0.886 5.236 4.350 -0.000 0.000 0.222 750 T C -0.427 174.277 174.700 0.007 0.000 0.819 750 T CA -0.360 61.745 62.100 0.008 0.000 1.203 750 T CB 0.886 69.757 68.868 0.005 0.000 1.640 750 T HN 1.489 nan 8.240 nan 0.000 0.507 751 A N -0.422 122.399 122.820 0.001 0.000 2.587 751 A HA 0.746 5.066 4.320 -0.000 0.000 0.293 751 A C 0.222 177.803 177.584 -0.005 0.000 1.087 751 A CA -0.888 51.149 52.037 -0.001 0.000 0.692 751 A CB 0.948 19.946 19.000 -0.004 0.000 1.291 751 A HN 0.792 nan 8.150 nan 0.000 0.407 752 L N -0.087 121.132 121.223 -0.006 0.000 2.463 752 L HA 0.341 4.681 4.340 -0.000 0.000 0.219 752 L C 1.017 177.877 176.870 -0.016 0.000 1.088 752 L CA 0.461 55.295 54.840 -0.010 0.000 0.849 752 L CB -0.248 41.805 42.059 -0.009 0.000 1.012 752 L HN 0.812 nan 8.230 nan 0.000 0.468 753 R N -0.594 119.895 120.500 -0.018 0.000 2.712 753 R HA 0.414 4.754 4.340 -0.000 0.000 0.272 753 R C -3.070 173.204 176.300 -0.043 0.000 1.032 753 R CA -1.500 54.578 56.100 -0.037 0.000 0.874 753 R CB 0.287 30.565 30.300 -0.037 0.000 1.256 753 R HN -0.335 nan 8.270 nan 0.000 0.468 754 P HA 0.098 nan 4.420 nan 0.000 0.265 754 P C -0.685 176.572 177.300 -0.071 0.000 1.222 754 P CA 0.106 63.156 63.100 -0.082 0.000 0.767 754 P CB 1.178 32.803 31.700 -0.125 0.000 0.801 755 S N 2.126 117.821 115.700 -0.007 0.000 2.623 755 S HA 0.553 5.023 4.470 -0.000 0.000 0.287 755 S C 1.592 176.233 174.600 0.069 0.000 1.123 755 S CA -0.107 58.129 58.200 0.060 0.000 1.016 755 S CB 0.622 63.850 63.200 0.048 0.000 1.233 755 S HN 0.467 nan 8.310 nan 0.000 0.512 756 A N 0.907 123.776 122.820 0.081 0.000 1.935 756 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 756 A C 2.097 179.695 177.584 0.024 0.000 1.178 756 A CA 1.365 53.441 52.037 0.064 0.000 0.640 756 A CB -1.008 18.025 19.000 0.055 0.000 0.825 756 A HN 0.698 nan 8.150 nan 0.000 0.447 757 S N -0.265 115.440 115.700 0.008 0.000 2.446 757 S HA -0.121 4.348 4.470 -0.000 0.000 0.225 757 S C 1.970 176.552 174.600 -0.030 0.000 1.016 757 S CA 1.544 59.734 58.200 -0.017 0.000 0.943 757 S CB -0.950 62.241 63.200 -0.014 0.000 0.786 757 S HN 0.754 nan 8.310 nan 0.000 0.508 758 T N 0.919 115.463 114.554 -0.017 0.000 2.735 758 T HA -0.040 4.310 4.350 -0.000 0.000 0.256 758 T C 1.428 176.112 174.700 -0.026 0.000 1.042 758 T CA 0.646 62.732 62.100 -0.023 0.000 1.147 758 T CB -0.558 68.299 68.868 -0.018 0.000 0.865 758 T HN 0.246 nan 8.240 nan 0.000 0.421 759 Q N 2.057 121.846 119.800 -0.018 0.000 2.259 759 Q HA 0.518 4.858 4.340 -0.000 0.000 0.228 759 Q C 0.423 176.420 176.000 -0.006 0.000 0.909 759 Q CA -0.030 55.764 55.803 -0.015 0.000 0.948 759 Q CB -0.758 27.969 28.738 -0.018 0.000 1.041 759 Q HN 0.742 nan 8.270 nan 0.000 0.445 760 A N 0.500 123.309 122.820 -0.019 0.000 2.407 760 A HA 0.246 4.566 4.320 -0.000 0.000 0.248 760 A C 1.164 178.733 177.584 -0.025 0.000 1.082 760 A CA -0.369 51.654 52.037 -0.024 0.000 0.785 760 A CB 0.372 19.334 19.000 -0.063 0.000 1.020 760 A HN 0.462 nan 8.150 nan 0.000 0.489 761 L N 1.124 122.348 121.223 0.001 0.000 2.191 761 L HA -0.064 4.276 4.340 -0.000 0.000 0.212 761 L C 0.572 177.449 176.870 0.010 0.000 1.103 761 L CA 1.440 56.291 54.840 0.019 0.000 0.769 761 L CB -0.524 41.566 42.059 0.051 0.000 0.908 761 L HN 0.827 nan 8.230 nan 0.000 0.438 762 S N -1.803 113.877 115.700 -0.034 0.000 2.548 762 S HA 0.555 5.025 4.470 -0.000 0.000 0.278 762 S C -0.602 173.743 174.600 -0.425 0.000 1.150 762 S CA -0.757 57.405 58.200 -0.065 0.000 0.907 762 S CB 1.964 65.239 63.200 0.125 0.000 1.108 762 S HN 0.126 nan 8.310 nan 0.000 0.459 763 S N 0.634 116.111 115.700 -0.372 0.000 2.697 763 S HA 0.983 5.453 4.470 -0.000 0.000 0.289 763 S C -0.816 173.703 174.600 -0.136 0.000 1.149 763 S CA -0.244 57.662 58.200 -0.490 0.000 0.850 763 S CB 1.641 64.700 63.200 -0.236 0.000 1.151 763 S HN 2.137 nan 8.310 nan 0.000 0.491 764 S N -0.199 115.482 115.700 -0.031 0.000 2.543 764 S HA 0.696 5.166 4.470 -0.000 0.000 0.274 764 S C -1.109 173.399 174.600 -0.155 0.000 1.149 764 S CA -0.601 57.658 58.200 0.099 0.000 0.866 764 S CB 0.856 64.290 63.200 0.392 0.000 1.111 764 S HN 1.359 nan 8.310 nan 0.000 0.457 765 V N 0.814 120.639 119.914 -0.148 0.000 3.234 765 V HA 0.787 4.906 4.120 -0.000 0.000 0.317 765 V C 0.019 176.015 176.094 -0.164 0.000 1.147 765 V CA -0.598 61.529 62.300 -0.287 0.000 1.037 765 V CB 2.177 33.932 31.823 -0.114 0.000 1.148 765 V HN 1.111 nan 8.190 nan 0.000 0.455 766 S N 0.752 116.402 115.700 -0.084 0.000 2.616 766 S HA 0.378 4.848 4.470 -0.000 0.000 0.277 766 S C 0.580 175.254 174.600 0.123 0.000 1.234 766 S CA 0.156 58.438 58.200 0.136 0.000 1.028 766 S CB 1.511 64.837 63.200 0.210 0.000 0.988 766 S HN 0.993 nan 8.310 nan 0.000 0.522 767 S N 0.412 116.201 115.700 0.148 0.000 2.632 767 S HA 0.172 4.642 4.470 -0.000 0.000 0.237 767 S C 0.664 175.333 174.600 0.116 0.000 1.037 767 S CA -0.285 57.984 58.200 0.115 0.000 1.009 767 S CB 0.097 63.358 63.200 0.101 0.000 0.974 767 S HN 0.546 nan 8.310 nan 0.000 0.544 768 S N 1.730 117.515 115.700 0.143 0.000 2.558 768 S HA 0.165 4.635 4.470 -0.000 0.000 0.291 768 S C 0.486 175.176 174.600 0.151 0.000 1.306 768 S CA 0.031 58.317 58.200 0.144 0.000 1.056 768 S CB 0.248 63.563 63.200 0.191 0.000 0.836 768 S HN 0.401 nan 8.310 nan 0.000 0.504 769 K N 4.247 124.713 120.400 0.110 0.000 2.646 769 K HA 0.234 4.554 4.320 -0.000 0.000 0.206 769 K C 0.650 177.285 176.600 0.058 0.000 1.069 769 K CA -0.059 56.286 56.287 0.096 0.000 1.067 769 K CB 0.119 32.654 32.500 0.058 0.000 0.807 769 K HN 0.627 nan 8.250 nan 0.000 0.482 770 L N 0.114 121.354 121.223 0.029 0.000 2.552 770 L HA 0.123 4.463 4.340 -0.000 0.000 0.227 770 L C 0.043 176.616 176.870 -0.495 0.000 1.146 770 L CA 0.742 55.418 54.840 -0.274 0.000 0.858 770 L CB -0.132 41.647 42.059 -0.467 0.000 0.969 770 L HN -0.017 nan 8.230 nan 0.000 0.451 771 F N -2.183 117.790 119.950 0.039 0.000 2.546 771 F HA 0.481 5.007 4.527 -0.000 0.000 0.320 771 F C 0.670 176.487 175.800 0.029 0.000 1.076 771 F CA -0.400 57.625 58.000 0.041 0.000 0.928 771 F CB 1.937 40.975 39.000 0.064 0.000 1.189 771 F HN -0.325 nan 8.300 nan 0.000 0.465 772 S N -0.443 115.367 115.700 0.184 0.000 5.707 772 S HA 0.318 4.788 4.470 -0.000 0.000 0.128 772 S C -0.464 174.167 174.600 0.052 0.000 1.212 772 S CA 0.295 58.551 58.200 0.093 0.000 1.212 772 S CB -0.219 63.011 63.200 0.050 0.000 2.049 772 S HN 1.066 nan 8.310 nan 0.000 0.680 784 E N 0.740 120.948 120.200 0.013 0.000 2.283 784 E HA 0.335 4.684 4.350 -0.000 0.000 0.258 784 E C -0.822 175.791 176.600 0.023 0.000 0.893 784 E CA -0.520 55.893 56.400 0.022 0.000 0.798 784 E CB 2.260 31.976 29.700 0.028 0.000 1.242 784 E HN 0.366 nan 8.360 nan 0.000 0.414 785 E N 1.562 121.776 120.200 0.024 0.000 2.191 785 E HA 0.480 4.829 4.350 -0.000 0.000 0.278 785 E C -1.268 175.362 176.600 0.051 0.000 0.972 785 E CA -0.788 55.625 56.400 0.022 0.000 0.804 785 E CB 2.592 32.292 29.700 -0.001 0.000 1.110 785 E HN 0.133 nan 8.360 nan 0.000 0.394 786 V N 3.257 123.206 119.914 0.060 0.000 2.623 786 V HA 0.204 4.324 4.120 -0.000 0.000 0.304 786 V C -0.929 175.226 176.094 0.101 0.000 1.054 786 V CA -0.625 61.737 62.300 0.102 0.000 0.882 786 V CB 1.709 33.597 31.823 0.109 0.000 1.002 786 V HN 0.655 nan 8.190 nan 0.000 0.424 787 E N 4.529 124.803 120.200 0.124 0.000 2.376 787 E HA 0.329 4.679 4.350 -0.000 0.000 0.266 787 E C -0.836 175.871 176.600 0.178 0.000 1.009 787 E CA -0.105 56.330 56.400 0.059 0.000 0.902 787 E CB 1.712 31.318 29.700 -0.157 0.000 0.972 787 E HN 0.575 nan 8.360 nan 0.000 0.439 788 V N 4.268 124.245 119.914 0.106 0.000 2.459 788 V HA 0.229 4.349 4.120 -0.000 0.000 0.295 788 V C 0.000 176.167 176.094 0.122 0.000 1.029 788 V CA -0.717 61.682 62.300 0.165 0.000 0.874 788 V CB 1.387 33.266 31.823 0.094 0.000 0.985 788 V HN 0.637 nan 8.190 nan 0.000 0.438 789 H N 3.446 122.599 119.070 0.139 0.000 2.595 789 H HA 0.587 5.143 4.556 -0.000 0.000 0.346 789 H C -0.875 174.667 175.328 0.356 0.000 1.181 789 H CA -0.782 55.370 56.048 0.174 0.000 1.242 789 H CB 2.302 32.126 29.762 0.103 0.000 1.652 789 H HN 0.598 nan 8.280 nan 0.000 0.548 790 N N 1.280 120.247 118.700 0.444 0.000 2.367 790 N HA 0.079 4.819 4.740 -0.000 0.000 0.278 790 N C -1.458 174.299 175.510 0.412 0.000 1.117 790 N CA -0.687 52.590 53.050 0.379 0.000 0.867 790 N CB 3.008 41.568 38.487 0.121 0.000 1.649 790 N HN 0.260 nan 8.380 nan 0.000 0.479 791 L N 2.030 123.465 121.223 0.353 0.000 2.350 791 L HA 0.563 4.902 4.340 -0.000 0.000 0.275 791 L C -1.060 175.818 176.870 0.013 0.000 1.099 791 L CA -0.067 54.848 54.840 0.125 0.000 0.808 791 L CB 0.464 42.481 42.059 -0.070 0.000 1.149 791 L HN 0.400 nan 8.230 nan 0.000 0.442 792 L N 5.859 127.068 121.223 -0.024 0.000 2.362 792 L HA 0.508 4.848 4.340 -0.000 0.000 0.275 792 L C -0.812 176.020 176.870 -0.063 0.000 0.998 792 L CA -0.851 53.977 54.840 -0.019 0.000 0.820 792 L CB 1.968 44.027 42.059 0.001 0.000 1.270 792 L HN 0.440 nan 8.230 nan 0.000 0.415 793 I N 4.247 124.785 120.570 -0.052 0.000 2.336 793 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 793 I C -0.121 175.974 176.117 -0.036 0.000 0.991 793 I CA -0.283 60.939 61.300 -0.131 0.000 1.227 793 I CB 1.508 39.260 38.000 -0.414 0.000 1.366 793 I HN 0.493 nan 8.210 nan 0.000 0.466 794 I N 4.952 125.531 120.570 0.015 0.000 2.410 794 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 794 I C 0.358 176.492 176.117 0.028 0.000 1.009 794 I CA -0.591 60.759 61.300 0.085 0.000 1.111 794 I CB 1.806 39.928 38.000 0.203 0.000 1.262 794 I HN 0.520 nan 8.210 nan 0.000 0.443 795 D N 5.628 126.023 120.400 -0.009 0.000 2.525 795 D HA -0.072 4.568 4.640 -0.000 0.000 0.235 795 D C 0.987 177.098 176.300 -0.316 0.000 1.137 795 D CA 0.383 54.342 54.000 -0.069 0.000 0.868 795 D CB 1.201 42.004 40.800 0.004 0.000 1.180 795 D HN 0.700 nan 8.370 nan 0.000 0.465 796 Q N 3.151 122.741 119.800 -0.350 0.000 2.245 796 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 796 Q C 1.288 176.866 176.000 -0.704 0.000 0.955 796 Q CA 1.017 56.429 55.803 -0.651 0.000 0.870 796 Q CB 0.043 28.516 28.738 -0.441 0.000 0.945 796 Q HN 0.578 nan 8.270 nan 0.000 0.461 797 H N 0.509 119.431 119.070 -0.246 0.000 2.415 797 H HA 0.027 4.583 4.556 -0.000 0.000 0.297 797 H C 1.962 177.300 175.328 0.016 0.000 1.048 797 H CA 1.905 57.916 56.048 -0.062 0.000 1.365 797 H CB 0.472 30.228 29.762 -0.011 0.000 1.421 797 H HN 0.599 nan 8.280 nan 0.000 0.533 798 T N -2.748 111.861 114.554 0.091 0.000 3.023 798 T HA -0.005 4.344 4.350 -0.000 0.000 0.249 798 T C 0.755 175.609 174.700 0.256 0.000 1.050 798 T CA -0.154 62.042 62.100 0.160 0.000 1.088 798 T CB -0.302 68.637 68.868 0.119 0.000 0.946 798 T HN 0.188 nan 8.240 nan 0.000 0.480 799 F N 1.681 121.708 119.950 0.127 0.000 3.100 799 F HA -0.168 4.359 4.527 -0.000 0.000 0.284 799 F C 0.486 176.336 175.800 0.084 0.000 0.875 799 F CA 0.517 58.582 58.000 0.109 0.000 1.039 799 F CB -2.063 36.983 39.000 0.076 0.000 1.111 799 F HN 0.379 nan 8.300 nan 0.000 0.575 800 E N -0.258 120.050 120.200 0.180 0.000 2.374 800 E HA 0.352 4.702 4.350 -0.000 0.000 0.260 800 E C 0.004 176.672 176.600 0.113 0.000 1.101 800 E CA -0.543 55.937 56.400 0.134 0.000 0.907 800 E CB 1.287 31.049 29.700 0.104 0.000 1.014 800 E HN -0.001 nan 8.360 nan 0.000 0.427 801 V N 4.698 124.668 119.914 0.094 0.000 2.326 801 V HA -0.025 4.095 4.120 -0.000 0.000 0.249 801 V C 1.513 177.653 176.094 0.077 0.000 1.114 801 V CA 0.199 62.543 62.300 0.075 0.000 1.028 801 V CB -0.433 31.422 31.823 0.053 0.000 1.170 801 V HN 0.690 nan 8.190 nan 0.000 0.494 802 L N 2.291 123.569 121.223 0.092 0.000 2.012 802 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 802 L C 1.018 178.013 176.870 0.208 0.000 1.073 802 L CA 1.764 56.691 54.840 0.145 0.000 0.748 802 L CB -0.253 41.900 42.059 0.158 0.000 0.891 802 L HN 0.740 nan 8.230 nan 0.000 0.431 803 H N -2.244 116.846 119.070 0.035 0.000 3.046 803 H HA 0.602 5.157 4.556 -0.000 0.000 0.361 803 H C -1.501 173.827 175.328 0.000 0.000 1.235 803 H CA -0.317 55.758 56.048 0.045 0.000 1.146 803 H CB 1.714 31.541 29.762 0.109 0.000 1.859 803 H HN -0.038 nan 8.280 nan 0.000 0.548 804 A N 3.085 125.721 122.820 -0.307 0.000 2.457 804 A HA 0.318 4.638 4.320 -0.000 0.000 0.283 804 A C -1.626 175.886 177.584 -0.119 0.000 1.166 804 A CA -0.522 51.440 52.037 -0.126 0.000 0.740 804 A CB 0.045 18.982 19.000 -0.107 0.000 1.181 804 A HN 0.811 nan 8.150 nan 0.000 0.446 805 H N 1.634 120.654 119.070 -0.083 0.000 2.668 805 H HA 0.453 5.009 4.556 -0.000 0.000 0.303 805 H C 0.195 175.363 175.328 -0.267 0.000 1.074 805 H CA 0.324 56.269 56.048 -0.171 0.000 1.406 805 H CB 0.778 30.325 29.762 -0.358 0.000 1.442 805 H HN 0.721 nan 8.280 nan 0.000 0.482 806 Q N 4.995 124.449 119.800 -0.577 0.000 2.256 806 Q HA 0.233 4.573 4.340 -0.000 0.000 0.254 806 Q C -0.859 174.891 176.000 -0.417 0.000 0.916 806 Q CA -0.643 54.966 55.803 -0.324 0.000 0.932 806 Q CB 0.672 29.315 28.738 -0.159 0.000 1.207 806 Q HN 0.564 nan 8.270 nan 0.000 0.426 807 F N 1.751 121.726 119.950 0.042 0.000 2.234 807 F HA 0.259 4.785 4.527 -0.000 0.000 0.292 807 F C 0.677 176.524 175.800 0.078 0.000 1.187 807 F CA -0.601 57.478 58.000 0.131 0.000 1.128 807 F CB 0.348 39.465 39.000 0.194 0.000 1.507 807 F HN 0.422 nan 8.300 nan 0.000 0.512 808 L N -0.029 121.378 121.223 0.307 0.000 2.470 808 L HA 0.159 4.499 4.340 -0.000 0.000 0.243 808 L C 0.179 177.118 176.870 0.115 0.000 1.227 808 L CA -0.491 54.442 54.840 0.155 0.000 0.824 808 L CB 0.042 42.164 42.059 0.105 0.000 1.175 808 L HN 0.479 nan 8.230 nan 0.000 0.503 809 Q N 0.742 120.587 119.800 0.076 0.000 2.332 809 Q HA -0.003 4.336 4.340 -0.000 0.000 0.263 809 Q C 0.090 176.095 176.000 0.008 0.000 0.979 809 Q CA 0.006 55.849 55.803 0.067 0.000 0.885 809 Q CB 0.343 29.124 28.738 0.072 0.000 1.218 809 Q HN 0.521 nan 8.270 nan 0.000 0.405 810 N N 1.746 120.448 118.700 0.003 0.000 2.678 810 N HA -0.245 4.495 4.740 -0.000 0.000 0.250 810 N C -0.942 174.316 175.510 -0.418 0.000 1.136 810 N CA 1.417 54.355 53.050 -0.187 0.000 0.757 810 N CB -0.520 37.824 38.487 -0.238 0.000 1.135 810 N HN 0.708 nan 8.380 nan 0.000 0.565 811 E N 0.192 120.268 120.200 -0.206 0.000 2.134 811 E HA 0.226 4.576 4.350 -0.000 0.000 0.278 811 E C -0.822 175.695 176.600 -0.139 0.000 0.959 811 E CA -0.387 55.857 56.400 -0.259 0.000 0.783 811 E CB 0.635 30.260 29.700 -0.125 0.000 1.095 811 E HN 0.160 nan 8.360 nan 0.000 0.399 812 Y N 1.610 121.596 120.300 -0.524 0.000 2.342 812 Y HA 0.494 5.044 4.550 -0.000 0.000 0.334 812 Y C 0.344 175.791 175.900 -0.755 0.000 1.067 812 Y CA -1.597 55.908 58.100 -0.991 0.000 1.128 812 Y CB 1.779 39.720 38.460 -0.865 0.000 1.200 812 Y HN 0.547 nan 8.280 nan 0.000 0.464 813 A N 4.696 127.159 122.820 -0.595 0.000 2.366 813 A HA 0.379 4.699 4.320 -0.000 0.000 0.322 813 A C 0.350 177.817 177.584 -0.195 0.000 1.397 813 A CA -0.463 51.284 52.037 -0.484 0.000 0.984 813 A CB -0.121 18.401 19.000 -0.798 0.000 1.149 813 A HN 1.004 nan 8.150 nan 0.000 0.540 814 L N 1.980 123.098 121.223 -0.175 0.000 2.162 814 L HA 0.076 4.415 4.340 -0.000 0.000 0.205 814 L C 1.018 177.875 176.870 -0.022 0.000 1.086 814 L CA 0.993 55.780 54.840 -0.089 0.000 0.778 814 L CB -0.225 41.743 42.059 -0.151 0.000 0.928 814 L HN 0.743 nan 8.230 nan 0.000 0.446 815 S N -0.769 114.920 115.700 -0.018 0.000 2.588 815 S HA 0.735 5.204 4.470 -0.000 0.000 0.275 815 S C -1.139 173.495 174.600 0.057 0.000 1.130 815 S CA -0.754 57.467 58.200 0.035 0.000 0.855 815 S CB 2.770 65.998 63.200 0.047 0.000 1.116 815 S HN -0.041 nan 8.310 nan 0.000 0.472 816 L N 1.546 122.815 121.223 0.076 0.000 2.455 816 L HA 0.829 5.168 4.340 -0.000 0.000 0.264 816 L C -1.556 175.379 176.870 0.107 0.000 0.968 816 L CA -0.441 54.451 54.840 0.088 0.000 0.827 816 L CB 1.965 44.050 42.059 0.043 0.000 1.317 816 L HN 0.814 nan 8.230 nan 0.000 0.407 817 V N 1.530 121.528 119.914 0.141 0.000 2.925 817 V HA 0.761 4.881 4.120 -0.000 0.000 0.311 817 V C -0.560 175.675 176.094 0.235 0.000 1.104 817 V CA -0.732 61.661 62.300 0.156 0.000 0.954 817 V CB 1.855 33.755 31.823 0.127 0.000 1.022 817 V HN 0.756 nan 8.190 nan 0.000 0.427 818 S N 2.529 118.367 115.700 0.231 0.000 2.718 818 S HA 0.711 5.181 4.470 -0.000 0.000 0.294 818 S C -0.550 174.126 174.600 0.127 0.000 1.157 818 S CA -0.290 58.079 58.200 0.282 0.000 1.121 818 S CB 0.242 63.684 63.200 0.403 0.000 1.015 818 S HN 1.367 nan 8.310 nan 0.000 0.479 819 C N 2.499 121.848 119.300 0.082 0.000 3.291 819 C HA 0.715 5.175 4.460 -0.000 0.000 0.316 819 C C -1.072 173.919 174.990 0.001 0.000 1.391 819 C CA -1.176 57.859 59.018 0.028 0.000 1.394 819 C CB 0.807 28.564 27.740 0.030 0.000 1.744 819 C HN 0.748 nan 8.230 nan 0.000 0.461 820 K N 0.921 121.310 120.400 -0.019 0.000 2.185 820 K HA 0.697 5.017 4.320 -0.000 0.000 0.269 820 K C -1.310 175.257 176.600 -0.055 0.000 0.987 820 K CA -0.220 56.051 56.287 -0.027 0.000 0.865 820 K CB 1.358 33.842 32.500 -0.025 0.000 1.090 820 K HN 0.569 nan 8.250 nan 0.000 0.450 821 L N 2.954 124.087 121.223 -0.150 0.000 2.298 821 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 821 L C 0.866 177.722 176.870 -0.023 0.000 1.013 821 L CA -0.220 54.509 54.840 -0.184 0.000 0.824 821 L CB 1.209 42.970 42.059 -0.497 0.000 1.221 821 L HN 1.006 nan 8.230 nan 0.000 0.418 822 G N 3.449 112.303 108.800 0.091 0.000 2.566 822 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.280 822 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.280 822 G C 0.390 175.372 174.900 0.135 0.000 1.225 822 G CA 0.246 45.441 45.100 0.158 0.000 0.966 822 G HN 0.661 nan 8.290 nan 0.000 0.560 823 K N 1.216 121.716 120.400 0.167 0.000 2.476 823 K HA 0.230 4.550 4.320 -0.000 0.000 0.196 823 K C 0.560 177.249 176.600 0.150 0.000 1.025 823 K CA 0.392 56.757 56.287 0.129 0.000 1.138 823 K CB 0.225 32.789 32.500 0.107 0.000 0.860 823 K HN 0.447 nan 8.250 nan 0.000 0.515 824 D N 1.170 121.694 120.400 0.206 0.000 2.358 824 D HA 0.022 4.662 4.640 -0.000 0.000 0.258 824 D C -1.753 174.616 176.300 0.115 0.000 1.223 824 D CA -1.697 52.438 54.000 0.224 0.000 0.886 824 D CB 1.394 42.382 40.800 0.313 0.000 1.120 824 D HN -0.026 nan 8.370 nan 0.000 0.482 825 P HA -0.000 nan 4.420 nan 0.000 0.227 825 P C -0.175 177.097 177.300 -0.047 0.000 1.161 825 P CA 0.154 63.262 63.100 0.014 0.000 0.788 825 P CB 0.333 32.038 31.700 0.009 0.000 0.822 826 N N 0.105 118.762 118.700 -0.072 0.000 2.518 826 N HA 0.110 4.850 4.740 -0.000 0.000 0.266 826 N C 0.066 175.346 175.510 -0.382 0.000 1.196 826 N CA 0.555 53.434 53.050 -0.286 0.000 0.947 826 N CB -0.157 38.052 38.487 -0.464 0.000 1.098 826 N HN -0.052 nan 8.380 nan 0.000 0.450 827 T N 1.668 115.957 114.554 -0.440 0.000 2.909 827 T HA 0.442 4.792 4.350 -0.000 0.000 0.286 827 T C -0.374 173.967 174.700 -0.599 0.000 1.002 827 T CA -0.121 61.760 62.100 -0.364 0.000 1.074 827 T CB 0.376 69.088 68.868 -0.260 0.000 0.984 827 T HN 0.242 nan 8.240 nan 0.000 0.495 828 Y N 0.036 120.195 120.300 -0.234 0.000 2.633 828 Y HA 0.637 5.186 4.550 -0.000 0.000 0.339 828 Y C -0.627 175.187 175.900 -0.143 0.000 1.045 828 Y CA -1.512 56.453 58.100 -0.224 0.000 1.098 828 Y CB 1.360 39.703 38.460 -0.195 0.000 1.296 828 Y HN 0.463 nan 8.280 nan 0.000 0.494 829 F N 2.121 122.218 119.950 0.246 0.000 2.426 829 F HA 0.543 5.070 4.527 -0.000 0.000 0.348 829 F C -0.523 175.432 175.800 0.259 0.000 1.124 829 F CA -1.572 56.559 58.000 0.217 0.000 1.008 829 F CB 0.869 39.992 39.000 0.205 0.000 1.139 829 F HN 0.116 nan 8.300 nan 0.000 0.452 830 I N 4.017 124.809 120.570 0.370 0.000 2.406 830 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 830 I C -0.897 175.357 176.117 0.229 0.000 0.999 830 I CA -0.845 60.585 61.300 0.217 0.000 1.124 830 I CB 1.837 39.880 38.000 0.072 0.000 1.289 830 I HN 0.135 nan 8.210 nan 0.000 0.441 831 V N 4.889 124.955 119.914 0.253 0.000 2.409 831 V HA 0.598 4.718 4.120 -0.000 0.000 0.291 831 V C 0.578 176.729 176.094 0.096 0.000 1.020 831 V CA -0.645 61.793 62.300 0.230 0.000 0.848 831 V CB 1.477 33.578 31.823 0.464 0.000 0.990 831 V HN 0.876 nan 8.190 nan 0.000 0.430 832 G N 3.068 111.883 108.800 0.025 0.000 2.395 832 G HA2 0.666 4.625 3.960 -0.000 0.000 0.283 832 G HA3 0.666 4.625 3.960 -0.000 0.000 0.283 832 G C -0.102 174.728 174.900 -0.117 0.000 1.178 832 G CA 0.035 45.114 45.100 -0.034 0.000 0.837 832 G HN 0.827 nan 8.290 nan 0.000 0.518 833 T N -1.991 112.478 114.554 -0.141 0.000 2.812 833 T HA 0.844 5.194 4.350 -0.000 0.000 0.294 833 T C -0.541 174.022 174.700 -0.228 0.000 1.159 833 T CA -0.425 61.543 62.100 -0.219 0.000 1.008 833 T CB 2.005 70.751 68.868 -0.203 0.000 1.289 833 T HN 1.750 nan 8.240 nan 0.000 0.514 834 A N 1.201 123.848 122.820 -0.288 0.000 2.589 834 A HA 0.685 5.004 4.320 -0.000 0.000 0.296 834 A C -1.260 176.058 177.584 -0.444 0.000 1.062 834 A CA -1.015 50.830 52.037 -0.320 0.000 0.686 834 A CB 1.562 20.357 19.000 -0.342 0.000 1.282 834 A HN 0.726 nan 8.150 nan 0.000 0.404 835 M N 2.170 121.497 119.600 -0.456 0.000 2.129 835 M HA 0.470 4.950 4.480 -0.000 0.000 0.348 835 M C -0.832 174.988 176.300 -0.801 0.000 1.116 835 M CA -0.559 54.351 55.300 -0.651 0.000 1.022 835 M CB 0.664 32.947 32.600 -0.529 0.000 1.599 835 M HN 0.341 nan 8.290 nan 0.000 0.449 836 V N 5.642 124.875 119.914 -1.135 0.000 2.487 836 V HA 0.579 4.699 4.120 -0.000 0.000 0.298 836 V C -1.333 174.188 176.094 -0.955 0.000 1.028 836 V CA -0.550 61.209 62.300 -0.903 0.000 0.860 836 V CB 1.554 32.821 31.823 -0.927 0.000 0.991 836 V HN 0.759 nan 8.190 nan 0.000 0.427 837 Y N 4.319 124.536 120.300 -0.138 0.000 2.479 837 Y HA 0.456 5.005 4.550 -0.000 0.000 0.338 837 Y C -2.210 173.669 175.900 -0.034 0.000 1.055 837 Y CA -2.487 55.568 58.100 -0.074 0.000 1.023 837 Y CB 1.668 40.091 38.460 -0.062 0.000 1.287 837 Y HN 0.395 nan 8.280 nan 0.000 0.447 838 P HA -0.065 nan 4.420 nan 0.000 0.244 838 P C 0.581 177.924 177.300 0.073 0.000 1.211 838 P CA 0.916 64.066 63.100 0.082 0.000 0.760 838 P CB 0.329 32.074 31.700 0.073 0.000 0.961 839 E N 0.859 121.107 120.200 0.081 0.000 2.057 839 E HA -0.071 4.279 4.350 -0.000 0.000 0.190 839 E C 0.659 177.293 176.600 0.057 0.000 0.969 839 E CA 0.497 56.931 56.400 0.058 0.000 0.812 839 E CB -0.960 28.765 29.700 0.042 0.000 0.777 839 E HN 0.442 nan 8.360 nan 0.000 0.455 840 E N 1.342 121.584 120.200 0.070 0.000 2.344 840 E HA 0.337 4.686 4.350 -0.000 0.000 0.270 840 E C 0.595 177.227 176.600 0.054 0.000 1.021 840 E CA 0.267 56.703 56.400 0.061 0.000 0.887 840 E CB 1.400 31.144 29.700 0.073 0.000 0.997 840 E HN 0.153 nan 8.360 nan 0.000 0.429 841 A N 4.005 126.855 122.820 0.049 0.000 1.972 841 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 841 A C 0.832 178.447 177.584 0.052 0.000 1.169 841 A CA 1.617 53.685 52.037 0.051 0.000 0.635 841 A CB -0.484 18.545 19.000 0.049 0.000 0.810 841 A HN 0.852 nan 8.150 nan 0.000 0.446 842 E N -1.248 118.980 120.200 0.048 0.000 2.408 842 E HA 0.551 4.901 4.350 -0.000 0.000 0.275 842 E C -3.213 173.406 176.600 0.032 0.000 0.935 842 E CA -2.740 53.690 56.400 0.050 0.000 0.775 842 E CB 0.951 30.691 29.700 0.066 0.000 1.277 842 E HN -0.095 nan 8.360 nan 0.000 0.455 843 P HA -0.020 nan 4.420 nan 0.000 0.266 843 P C -0.611 176.698 177.300 0.015 0.000 1.195 843 P CA -0.005 63.079 63.100 -0.027 0.000 0.768 843 P CB 0.339 31.978 31.700 -0.101 0.000 0.838 844 K N 0.822 121.243 120.400 0.036 0.000 2.592 844 K HA 0.291 4.611 4.320 -0.000 0.000 0.203 844 K C 0.133 176.783 176.600 0.084 0.000 1.070 844 K CA -0.410 55.911 56.287 0.056 0.000 1.062 844 K CB 0.625 33.162 32.500 0.062 0.000 0.814 844 K HN 0.348 nan 8.250 nan 0.000 0.502 845 Q N -0.221 119.624 119.800 0.075 0.000 2.991 845 Q HA 0.741 5.081 4.340 -0.000 0.000 0.322 845 Q C -0.774 175.271 176.000 0.076 0.000 0.978 845 Q CA -0.946 54.949 55.803 0.153 0.000 0.787 845 Q CB 2.475 31.343 28.738 0.217 0.000 1.492 845 Q HN 0.296 nan 8.270 nan 0.000 0.498 846 G N -0.159 108.740 108.800 0.165 0.000 2.361 846 G HA2 0.219 4.178 3.960 -0.000 0.000 0.305 846 G HA3 0.219 4.178 3.960 -0.000 0.000 0.305 846 G C -1.818 173.199 174.900 0.195 0.000 1.367 846 G CA -0.917 44.222 45.100 0.064 0.000 0.951 846 G HN 0.337 nan 8.290 nan 0.000 0.615 847 R N -1.309 119.250 120.500 0.099 0.000 2.905 847 R HA 0.803 5.143 4.340 -0.000 0.000 0.260 847 R C -1.013 175.306 176.300 0.031 0.000 1.086 847 R CA -1.033 55.136 56.100 0.115 0.000 0.978 847 R CB 2.184 32.584 30.300 0.167 0.000 1.215 847 R HN 0.411 nan 8.270 nan 0.000 0.480 848 I N 1.623 122.194 120.570 0.001 0.000 2.531 848 I HA 0.215 4.385 4.170 -0.000 0.000 0.283 848 I C -0.998 175.081 176.117 -0.063 0.000 1.083 848 I CA -0.716 60.555 61.300 -0.048 0.000 1.071 848 I CB 2.152 40.064 38.000 -0.148 0.000 1.210 848 I HN 0.166 nan 8.210 nan 0.000 0.450 849 V N 6.683 126.563 119.914 -0.056 0.000 2.427 849 V HA 0.394 4.513 4.120 -0.000 0.000 0.286 849 V C 0.061 175.984 176.094 -0.285 0.000 1.034 849 V CA -0.744 61.418 62.300 -0.229 0.000 0.893 849 V CB 1.940 33.520 31.823 -0.404 0.000 0.982 849 V HN 0.346 nan 8.190 nan 0.000 0.452 850 V N 5.420 125.149 119.914 -0.309 0.000 2.294 850 V HA 0.426 4.546 4.120 -0.000 0.000 0.272 850 V C -0.356 175.642 176.094 -0.161 0.000 1.027 850 V CA -0.302 61.876 62.300 -0.204 0.000 0.823 850 V CB 0.263 31.930 31.823 -0.261 0.000 1.030 850 V HN 0.627 nan 8.190 nan 0.000 0.457 851 F N 2.610 122.657 119.950 0.161 0.000 2.379 851 F HA 0.523 5.050 4.527 -0.000 0.000 0.332 851 F C 0.566 176.496 175.800 0.216 0.000 1.096 851 F CA -0.121 57.975 58.000 0.161 0.000 1.105 851 F CB 1.168 40.260 39.000 0.154 0.000 1.189 851 F HN 0.350 nan 8.300 nan 0.000 0.515 852 Q N 2.840 122.833 119.800 0.323 0.000 2.321 852 Q HA 0.239 4.579 4.340 -0.000 0.000 0.270 852 Q C -1.980 174.041 176.000 0.036 0.000 1.032 852 Q CA -0.885 54.953 55.803 0.059 0.000 0.784 852 Q CB 2.074 30.806 28.738 -0.009 0.000 1.264 852 Q HN 0.704 nan 8.270 nan 0.000 0.448 853 Y N 1.940 122.090 120.300 -0.250 0.000 2.328 853 Y HA 0.318 4.868 4.550 -0.000 0.000 0.337 853 Y C -0.112 175.671 175.900 -0.196 0.000 1.008 853 Y CA 0.171 58.148 58.100 -0.204 0.000 1.129 853 Y CB 1.336 39.672 38.460 -0.207 0.000 1.185 853 Y HN 0.626 nan 8.280 nan 0.000 0.476 854 S N 3.008 118.382 115.700 -0.543 0.000 3.651 854 S HA 0.056 4.526 4.470 -0.000 0.000 0.201 854 S C 0.837 175.200 174.600 -0.394 0.000 1.028 854 S CA -0.210 57.763 58.200 -0.379 0.000 1.564 854 S CB 0.018 63.050 63.200 -0.280 0.000 0.787 854 S HN 0.753 nan 8.310 nan 0.000 0.627 855 D N 1.322 121.542 120.400 -0.300 0.000 2.087 855 D HA 0.035 4.674 4.640 -0.000 0.000 0.192 855 D C 0.915 177.029 176.300 -0.310 0.000 0.993 855 D CA 1.478 55.339 54.000 -0.231 0.000 0.828 855 D CB -0.320 40.388 40.800 -0.153 0.000 0.968 855 D HN 0.606 nan 8.370 nan 0.000 0.448 856 G N 0.084 108.636 108.800 -0.413 0.000 4.836 856 G HA2 0.270 4.229 3.960 -0.000 0.000 0.222 856 G HA3 0.270 4.229 3.960 -0.000 0.000 0.222 856 G C -0.745 173.900 174.900 -0.425 0.000 1.332 856 G CA -0.511 44.320 45.100 -0.449 0.000 0.606 856 G HN 0.009 nan 8.290 nan 0.000 0.357 857 K N 0.977 120.942 120.400 -0.724 0.000 2.513 857 K HA 0.445 4.765 4.320 -0.000 0.000 0.251 857 K C -1.340 175.087 176.600 -0.287 0.000 0.939 857 K CA -0.951 55.129 56.287 -0.344 0.000 0.793 857 K CB 2.970 35.339 32.500 -0.218 0.000 1.241 857 K HN 0.063 nan 8.250 nan 0.000 0.431 858 L N 3.655 124.769 121.223 -0.181 0.000 2.321 858 L HA 0.232 4.572 4.340 -0.000 0.000 0.272 858 L C -0.615 176.275 176.870 0.032 0.000 1.050 858 L CA -0.141 54.664 54.840 -0.057 0.000 0.893 858 L CB 1.025 42.855 42.059 -0.381 0.000 1.272 858 L HN 0.783 nan 8.230 nan 0.000 0.435 859 Q N 2.303 122.160 119.800 0.095 0.000 2.296 859 Q HA 0.225 4.565 4.340 -0.000 0.000 0.257 859 Q C -0.539 175.580 176.000 0.198 0.000 0.942 859 Q CA -0.438 55.437 55.803 0.119 0.000 0.939 859 Q CB 1.094 29.873 28.738 0.068 0.000 1.198 859 Q HN 0.540 nan 8.270 nan 0.000 0.429 860 T N 4.339 118.987 114.554 0.158 0.000 2.775 860 T HA 0.092 4.442 4.350 -0.000 0.000 0.287 860 T C 1.107 175.820 174.700 0.021 0.000 0.909 860 T CA -0.429 61.693 62.100 0.037 0.000 1.081 860 T CB 0.603 69.487 68.868 0.027 0.000 0.891 860 T HN 0.468 nan 8.240 nan 0.000 0.544 861 V N 1.769 121.696 119.914 0.022 0.000 2.374 861 V HA 0.359 4.479 4.120 -0.000 0.000 0.241 861 V C 1.150 177.267 176.094 0.038 0.000 1.034 861 V CA 0.931 63.283 62.300 0.086 0.000 1.037 861 V CB -0.462 31.486 31.823 0.209 0.000 0.682 861 V HN 0.960 nan 8.190 nan 0.000 0.463 862 A N 0.424 123.239 122.820 -0.010 0.000 2.517 862 A HA 0.672 4.992 4.320 -0.000 0.000 0.297 862 A C -0.704 176.844 177.584 -0.061 0.000 1.050 862 A CA -0.619 51.412 52.037 -0.010 0.000 0.694 862 A CB 1.305 20.345 19.000 0.067 0.000 1.277 862 A HN 0.457 nan 8.150 nan 0.000 0.400 863 E N 0.877 121.042 120.200 -0.058 0.000 2.299 863 E HA 0.867 5.217 4.350 -0.000 0.000 0.260 863 E C -0.924 175.646 176.600 -0.050 0.000 0.944 863 E CA -1.025 55.342 56.400 -0.057 0.000 0.815 863 E CB 1.887 31.571 29.700 -0.027 0.000 1.252 863 E HN 0.318 nan 8.360 nan 0.000 0.418 864 K N 0.528 120.901 120.400 -0.045 0.000 2.557 864 K HA 0.196 4.516 4.320 -0.000 0.000 0.257 864 K C -1.781 174.813 176.600 -0.009 0.000 0.933 864 K CA -0.435 55.824 56.287 -0.047 0.000 0.820 864 K CB 2.104 34.537 32.500 -0.113 0.000 1.330 864 K HN 0.637 nan 8.250 nan 0.000 0.432 865 E N 2.103 122.301 120.200 -0.003 0.000 2.319 865 E HA 0.612 4.962 4.350 -0.000 0.000 0.268 865 E C -1.003 175.634 176.600 0.062 0.000 1.050 865 E CA -0.837 55.573 56.400 0.016 0.000 0.878 865 E CB 1.012 30.664 29.700 -0.080 0.000 1.066 865 E HN 0.362 nan 8.360 nan 0.000 0.406 866 V N 0.436 120.405 119.914 0.092 0.000 2.932 866 V HA 0.405 4.525 4.120 -0.000 0.000 0.307 866 V C -0.722 175.429 176.094 0.096 0.000 1.147 866 V CA -1.139 61.221 62.300 0.100 0.000 0.951 866 V CB 1.794 33.680 31.823 0.104 0.000 1.031 866 V HN 0.667 nan 8.190 nan 0.000 0.426 867 K N 2.482 122.928 120.400 0.077 0.000 3.001 867 K HA 0.684 5.004 4.320 -0.000 0.000 0.257 867 K C 0.305 176.936 176.600 0.052 0.000 1.290 867 K CA 0.555 56.884 56.287 0.070 0.000 1.252 867 K CB 0.397 32.931 32.500 0.057 0.000 1.656 867 K HN 1.297 nan 8.250 nan 0.000 0.351 868 G N -0.363 108.463 108.800 0.043 0.000 2.347 868 G HA2 0.340 4.300 3.960 -0.000 0.000 0.303 868 G HA3 0.340 4.300 3.960 -0.000 0.000 0.303 868 G C -1.478 173.396 174.900 -0.042 0.000 1.481 868 G CA -0.813 44.295 45.100 0.014 0.000 0.914 868 G HN 0.232 nan 8.290 nan 0.000 0.638 869 A N -0.446 122.295 122.820 -0.132 0.000 2.498 869 A HA 0.533 4.853 4.320 -0.000 0.000 0.239 869 A C 0.637 177.989 177.584 -0.386 0.000 1.068 869 A CA 0.072 51.880 52.037 -0.381 0.000 0.766 869 A CB 0.440 18.984 19.000 -0.760 0.000 1.003 869 A HN 1.657 nan 8.150 nan 0.000 0.497 870 V N 4.502 124.223 119.914 -0.323 0.000 2.299 870 V HA 0.086 4.206 4.120 -0.000 0.000 0.255 870 V C 0.380 176.350 176.094 -0.207 0.000 1.100 870 V CA 0.045 62.247 62.300 -0.164 0.000 0.938 870 V CB -1.296 30.487 31.823 -0.067 0.000 1.139 870 V HN 0.929 nan 8.190 nan 0.000 0.490 871 Y N 2.371 122.648 120.300 -0.038 0.000 2.153 871 Y HA -0.057 4.493 4.550 -0.000 0.000 0.289 871 Y C 1.702 177.582 175.900 -0.032 0.000 1.127 871 Y CA 1.425 59.488 58.100 -0.063 0.000 1.131 871 Y CB 0.207 38.591 38.460 -0.127 0.000 0.995 871 Y HN 0.706 nan 8.280 nan 0.000 0.505 872 S N -0.359 115.429 115.700 0.147 0.000 2.806 872 S HA 0.825 5.295 4.470 -0.000 0.000 0.306 872 S C -0.869 173.796 174.600 0.108 0.000 1.167 872 S CA -0.969 57.302 58.200 0.119 0.000 0.847 872 S CB 2.439 65.725 63.200 0.143 0.000 1.216 872 S HN 0.189 nan 8.310 nan 0.000 0.532 873 M N -0.163 119.505 119.600 0.113 0.000 2.484 873 M HA 0.705 5.185 4.480 -0.000 0.000 0.292 873 M C -1.804 174.571 176.300 0.124 0.000 1.123 873 M CA -0.855 54.516 55.300 0.117 0.000 0.910 873 M CB 1.457 34.120 32.600 0.106 0.000 1.782 873 M HN 0.691 nan 8.290 nan 0.000 0.512 874 V N 0.655 120.651 119.914 0.137 0.000 2.962 874 V HA 0.558 4.678 4.120 -0.000 0.000 0.313 874 V C -0.961 175.229 176.094 0.159 0.000 1.099 874 V CA -0.268 62.119 62.300 0.145 0.000 0.971 874 V CB 2.285 34.202 31.823 0.157 0.000 1.028 874 V HN 0.987 nan 8.190 nan 0.000 0.430 875 E N 3.919 124.199 120.200 0.133 0.000 2.220 875 E HA 0.047 4.396 4.350 -0.000 0.000 0.272 875 E C -0.483 176.217 176.600 0.166 0.000 1.099 875 E CA 0.151 56.626 56.400 0.125 0.000 0.907 875 E CB 0.762 30.504 29.700 0.071 0.000 1.022 875 E HN 0.677 nan 8.360 nan 0.000 0.428 876 F N 5.045 125.016 119.950 0.034 0.000 2.090 876 F HA 0.113 4.640 4.527 -0.000 0.000 0.281 876 F C 0.854 176.665 175.800 0.019 0.000 1.157 876 F CA 0.802 58.819 58.000 0.028 0.000 1.130 876 F CB 0.433 39.442 39.000 0.015 0.000 1.034 876 F HN 0.390 nan 8.300 nan 0.000 0.491 877 N N -0.250 118.497 118.700 0.079 0.000 2.711 877 N HA 0.244 4.984 4.740 -0.000 0.000 0.263 877 N C 0.197 175.753 175.510 0.077 0.000 1.667 877 N CA 0.641 53.687 53.050 -0.007 0.000 0.785 877 N CB 1.005 39.488 38.487 -0.006 0.000 1.231 877 N HN 0.607 nan 8.380 nan 0.000 0.503 878 G N 0.972 109.810 108.800 0.064 0.000 2.168 878 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.263 878 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.263 878 G C -0.019 174.946 174.900 0.108 0.000 0.977 878 G CA 0.502 45.646 45.100 0.073 0.000 0.659 878 G HN 0.408 nan 8.290 nan 0.000 0.533 879 K N -0.776 119.706 120.400 0.137 0.000 2.318 879 K HA 0.720 5.039 4.320 -0.000 0.000 0.249 879 K C -0.855 175.849 176.600 0.174 0.000 0.942 879 K CA -1.107 55.276 56.287 0.161 0.000 0.808 879 K CB 2.595 35.173 32.500 0.130 0.000 1.189 879 K HN 0.106 nan 8.250 nan 0.000 0.428 880 L N 3.114 124.448 121.223 0.185 0.000 2.282 880 L HA 0.359 4.699 4.340 -0.000 0.000 0.288 880 L C -1.319 175.690 176.870 0.232 0.000 1.033 880 L CA -0.748 54.201 54.840 0.182 0.000 0.807 880 L CB 0.962 43.101 42.059 0.134 0.000 1.209 880 L HN 0.512 nan 8.230 nan 0.000 0.423 881 L N 6.224 127.561 121.223 0.189 0.000 2.313 881 L HA 0.802 5.142 4.340 -0.000 0.000 0.273 881 L C -0.468 176.496 176.870 0.156 0.000 1.028 881 L CA -0.177 54.754 54.840 0.150 0.000 0.871 881 L CB 0.591 42.700 42.059 0.083 0.000 1.242 881 L HN 0.692 nan 8.230 nan 0.000 0.434 882 A N 3.042 125.985 122.820 0.206 0.000 2.320 882 A HA 0.839 5.158 4.320 -0.000 0.000 0.334 882 A C -0.283 177.380 177.584 0.132 0.000 1.147 882 A CA -0.277 51.869 52.037 0.182 0.000 0.820 882 A CB 0.973 20.120 19.000 0.246 0.000 1.218 882 A HN 0.786 nan 8.150 nan 0.000 0.482 883 S N 0.609 116.376 115.700 0.111 0.000 2.438 883 S HA 0.565 5.035 4.470 -0.000 0.000 0.316 883 S C -0.705 173.974 174.600 0.132 0.000 1.084 883 S CA -0.385 57.871 58.200 0.092 0.000 1.107 883 S CB 0.531 63.775 63.200 0.073 0.000 0.981 883 S HN 0.390 nan 8.310 nan 0.000 0.466 884 I N 3.111 123.739 120.570 0.096 0.000 2.802 884 I HA 0.432 4.602 4.170 -0.000 0.000 0.307 884 I C 0.895 177.066 176.117 0.090 0.000 1.232 884 I CA -0.049 61.305 61.300 0.090 0.000 1.060 884 I CB -1.372 36.672 38.000 0.073 0.000 1.866 884 I HN 1.047 nan 8.210 nan 0.000 0.568 885 N N 0.942 119.780 118.700 0.231 0.000 2.943 885 N HA -0.280 4.459 4.740 -0.000 0.000 0.185 885 N C 1.040 176.564 175.510 0.024 0.000 1.199 885 N CA 0.913 54.115 53.050 0.253 0.000 1.072 885 N CB -0.569 37.981 38.487 0.106 0.000 0.968 885 N HN 0.474 nan 8.380 nan 0.000 0.556 886 S N -2.203 113.461 115.700 -0.060 0.000 2.650 886 S HA 0.019 4.489 4.470 -0.000 0.000 0.140 886 S C -0.589 173.849 174.600 -0.269 0.000 0.731 886 S CA 0.452 58.552 58.200 -0.167 0.000 1.689 886 S CB -0.148 62.949 63.200 -0.173 0.000 1.068 886 S HN 0.206 nan 8.310 nan 0.000 0.553 887 T N 2.629 117.019 114.554 -0.274 0.000 2.806 887 T HA 0.635 4.985 4.350 -0.000 0.000 0.290 887 T C -0.611 174.024 174.700 -0.108 0.000 0.966 887 T CA -0.141 61.771 62.100 -0.313 0.000 1.060 887 T CB 1.601 70.277 68.868 -0.320 0.000 0.927 887 T HN 0.225 nan 8.240 nan 0.000 0.485 888 V N 5.102 124.986 119.914 -0.050 0.000 2.328 888 V HA 0.469 4.588 4.120 -0.000 0.000 0.278 888 V C 0.267 176.401 176.094 0.067 0.000 1.021 888 V CA -0.618 61.684 62.300 0.005 0.000 0.838 888 V CB 0.908 32.713 31.823 -0.030 0.000 0.999 888 V HN 0.664 nan 8.190 nan 0.000 0.447 889 R N 4.427 124.962 120.500 0.059 0.000 2.534 889 R HA 0.586 4.926 4.340 -0.000 0.000 0.301 889 R C -1.563 174.714 176.300 -0.037 0.000 0.961 889 R CA -0.906 55.196 56.100 0.003 0.000 0.871 889 R CB 1.790 31.990 30.300 -0.165 0.000 1.170 889 R HN 0.558 nan 8.270 nan 0.000 0.446 890 L N 5.415 126.611 121.223 -0.045 0.000 2.287 890 L HA 0.346 4.686 4.340 -0.000 0.000 0.280 890 L C -1.397 175.393 176.870 -0.132 0.000 1.055 890 L CA -0.289 54.509 54.840 -0.070 0.000 0.863 890 L CB 0.242 42.203 42.059 -0.163 0.000 1.245 890 L HN 0.535 nan 8.230 nan 0.000 0.432 891 Y N 2.750 123.074 120.300 0.040 0.000 2.314 891 Y HA 0.387 4.936 4.550 -0.000 0.000 0.334 891 Y C 0.718 176.663 175.900 0.075 0.000 1.266 891 Y CA 0.073 58.210 58.100 0.062 0.000 1.391 891 Y CB 0.887 39.401 38.460 0.091 0.000 1.306 891 Y HN 0.575 nan 8.280 nan 0.000 0.558 892 E N 1.085 121.451 120.200 0.276 0.000 2.378 892 E HA 0.240 4.590 4.350 -0.000 0.000 0.265 892 E C -1.861 174.925 176.600 0.310 0.000 0.932 892 E CA -0.893 55.649 56.400 0.237 0.000 0.795 892 E CB 1.373 31.159 29.700 0.143 0.000 1.296 892 E HN 0.685 nan 8.360 nan 0.000 0.438 893 W N 4.273 125.599 121.300 0.042 0.000 2.336 893 W HA 0.234 4.894 4.660 -0.000 0.000 0.315 893 W C -0.425 176.102 176.519 0.013 0.000 1.016 893 W CA -0.620 56.732 57.345 0.011 0.000 1.318 893 W CB 1.236 30.694 29.460 -0.004 0.000 1.247 893 W HN 0.679 nan 8.180 nan 0.000 0.414 894 T N 0.389 114.748 114.554 -0.326 0.000 2.680 894 T HA -0.022 4.328 4.350 -0.000 0.000 0.314 894 T C 1.553 176.079 174.700 -0.289 0.000 1.045 894 T CA 0.728 62.670 62.100 -0.263 0.000 1.025 894 T CB 1.036 69.743 68.868 -0.268 0.000 1.000 894 T HN 0.474 nan 8.240 nan 0.000 0.535 895 T N -2.141 112.331 114.554 -0.137 0.000 3.035 895 T HA -0.008 4.342 4.350 -0.000 0.000 0.268 895 T C 1.463 176.079 174.700 -0.140 0.000 1.109 895 T CA 0.779 62.833 62.100 -0.078 0.000 1.119 895 T CB -0.569 68.286 68.868 -0.021 0.000 0.900 895 T HN 0.757 nan 8.240 nan 0.000 0.503 896 E N 1.699 121.771 120.200 -0.215 0.000 2.267 896 E HA -0.074 4.275 4.350 -0.000 0.000 0.197 896 E C 0.054 176.486 176.600 -0.279 0.000 0.998 896 E CA 0.381 56.651 56.400 -0.217 0.000 0.830 896 E CB -0.404 29.161 29.700 -0.224 0.000 0.751 896 E HN 0.552 nan 8.360 nan 0.000 0.491 897 K N 1.077 121.188 120.400 -0.481 0.000 3.549 897 K HA -0.154 4.166 4.320 -0.000 0.000 0.275 897 K C -1.233 174.859 176.600 -0.848 0.000 1.060 897 K CA 0.454 56.389 56.287 -0.585 0.000 0.812 897 K CB -1.025 31.449 32.500 -0.044 0.000 1.374 897 K HN 0.125 nan 8.250 nan 0.000 0.455 898 D N -0.446 119.095 120.400 -1.433 0.000 2.769 898 D HA 0.214 4.853 4.640 -0.000 0.000 0.219 898 D C -0.967 174.875 176.300 -0.764 0.000 1.245 898 D CA -0.567 52.921 54.000 -0.854 0.000 0.801 898 D CB 1.655 42.201 40.800 -0.425 0.000 1.598 898 D HN -0.005 nan 8.370 nan 0.000 0.485 899 V N 1.672 121.418 119.914 -0.280 0.000 2.405 899 V HA 0.529 4.649 4.120 -0.000 0.000 0.264 899 V C 0.437 176.577 176.094 0.077 0.000 1.048 899 V CA -0.415 61.897 62.300 0.020 0.000 0.966 899 V CB 0.518 32.337 31.823 -0.008 0.000 1.015 899 V HN 0.466 nan 8.190 nan 0.000 0.477 900 R N 3.322 123.893 120.500 0.119 0.000 2.604 900 R HA 0.594 4.934 4.340 -0.000 0.000 0.287 900 R C 0.006 176.421 176.300 0.192 0.000 0.970 900 R CA -0.439 55.735 56.100 0.123 0.000 0.946 900 R CB 1.716 32.028 30.300 0.021 0.000 1.127 900 R HN 0.810 nan 8.270 nan 0.000 0.473 901 T N 1.954 116.569 114.554 0.101 0.000 2.849 901 T HA 0.224 4.574 4.350 -0.000 0.000 0.284 901 T C -0.541 174.128 174.700 -0.053 0.000 1.004 901 T CA -0.431 61.637 62.100 -0.053 0.000 1.021 901 T CB 0.825 69.628 68.868 -0.108 0.000 1.013 901 T HN 0.604 nan 8.240 nan 0.000 0.527 902 E N 0.083 120.215 120.200 -0.112 0.000 2.451 902 E HA 0.370 4.720 4.350 -0.000 0.000 0.295 902 E C -0.092 176.434 176.600 -0.123 0.000 0.966 902 E CA -0.728 55.624 56.400 -0.081 0.000 0.808 902 E CB 1.029 30.706 29.700 -0.039 0.000 1.242 902 E HN 1.168 nan 8.360 nan 0.000 0.412 903 C N 2.589 121.828 119.300 -0.102 0.000 0.168 903 C HA -0.221 4.239 4.460 -0.000 0.000 0.017 903 C C 0.388 175.388 174.990 0.017 0.000 0.171 903 C CA 0.808 59.774 59.018 -0.088 0.000 0.499 903 C CB -1.479 26.090 27.740 -0.286 0.000 3.212 903 C HN 1.363 nan 8.230 nan 0.000 1.118 904 N N -1.761 117.069 118.700 0.218 0.000 2.759 904 N HA 0.111 4.851 4.740 -0.000 0.000 0.189 904 N C -0.117 175.627 175.510 0.390 0.000 1.305 904 N CA 1.494 54.727 53.050 0.305 0.000 2.010 904 N CB -1.304 37.254 38.487 0.117 0.000 1.126 904 N HN 2.300 nan 8.380 nan 0.000 0.713 905 H N 0.279 119.586 119.070 0.395 0.000 1.452 905 H HA -0.283 4.273 4.556 -0.000 0.000 0.090 905 H C -0.304 175.167 175.328 0.238 0.000 2.831 905 H CA 2.694 58.844 56.048 0.170 0.000 1.901 905 H CB -1.035 28.634 29.762 -0.156 0.000 2.257 905 H HN 0.372 nan 8.280 nan 0.000 0.961 906 Y N -2.825 117.032 120.300 -0.738 0.000 3.153 906 Y HA -0.063 4.487 4.550 -0.000 0.000 0.359 906 Y C 0.721 176.320 175.900 -0.503 0.000 0.935 906 Y CA 0.470 58.307 58.100 -0.437 0.000 0.896 906 Y CB -0.594 37.726 38.460 -0.234 0.000 1.311 906 Y HN 0.669 nan 8.280 nan 0.000 0.486 907 N N 2.991 121.272 118.700 -0.697 0.000 3.050 907 N HA 0.107 4.847 4.740 -0.000 0.000 0.289 907 N C -1.229 174.179 175.510 -0.170 0.000 1.209 907 N CA 0.596 53.463 53.050 -0.305 0.000 1.154 907 N CB -0.388 37.998 38.487 -0.169 0.000 1.444 907 N HN 0.331 nan 8.380 nan 0.000 0.529 908 N N 1.382 119.982 118.700 -0.165 0.000 2.405 908 N HA 0.333 5.073 4.740 -0.000 0.000 0.285 908 N C 1.027 176.450 175.510 -0.144 0.000 1.262 908 N CA -0.557 52.415 53.050 -0.131 0.000 0.773 908 N CB 1.728 40.136 38.487 -0.132 0.000 1.490 908 N HN 0.096 nan 8.380 nan 0.000 0.486 909 I N -0.271 120.203 120.570 -0.160 0.000 2.729 909 I HA 0.234 4.404 4.170 -0.000 0.000 0.256 909 I C 0.206 176.210 176.117 -0.190 0.000 1.115 909 I CA 0.783 61.982 61.300 -0.168 0.000 1.446 909 I CB 0.456 38.342 38.000 -0.190 0.000 1.176 909 I HN 0.349 nan 8.210 nan 0.000 0.446 910 M N 0.645 120.104 119.600 -0.235 0.000 2.457 910 M HA 0.320 4.800 4.480 -0.000 0.000 0.186 910 M C -1.292 174.785 176.300 -0.371 0.000 0.962 910 M CA -0.354 54.760 55.300 -0.310 0.000 0.909 910 M CB 1.281 33.669 32.600 -0.352 0.000 2.798 910 M HN -0.019 nan 8.290 nan 0.000 0.412 911 A N 5.006 127.646 122.820 -0.300 0.000 2.545 911 A HA 0.339 4.659 4.320 -0.000 0.000 0.297 911 A C 0.580 177.954 177.584 -0.350 0.000 1.340 911 A CA -0.177 51.716 52.037 -0.241 0.000 1.016 911 A CB -0.327 18.600 19.000 -0.123 0.000 1.122 911 A HN 1.005 nan 8.150 nan 0.000 0.537 912 L N 1.359 122.291 121.223 -0.484 0.000 2.202 912 L HA 0.120 4.459 4.340 -0.000 0.000 0.205 912 L C -0.129 176.290 176.870 -0.752 0.000 1.083 912 L CA 0.850 55.204 54.840 -0.810 0.000 0.790 912 L CB -0.238 41.080 42.059 -1.235 0.000 0.942 912 L HN 0.740 nan 8.230 nan 0.000 0.452 913 Y N -0.751 119.547 120.300 -0.004 0.000 2.545 913 Y HA 0.672 5.221 4.550 -0.000 0.000 0.348 913 Y C -0.496 175.414 175.900 0.017 0.000 1.002 913 Y CA -0.891 57.230 58.100 0.035 0.000 1.039 913 Y CB 1.837 40.327 38.460 0.049 0.000 1.271 913 Y HN -0.245 nan 8.280 nan 0.000 0.467 914 L N 2.660 124.001 121.223 0.197 0.000 2.434 914 L HA 0.661 5.001 4.340 -0.000 0.000 0.260 914 L C -0.959 175.981 176.870 0.117 0.000 0.983 914 L CA -0.994 53.910 54.840 0.107 0.000 0.820 914 L CB 2.382 44.491 42.059 0.084 0.000 1.361 914 L HN 0.511 nan 8.230 nan 0.000 0.410 915 K N 0.917 121.361 120.400 0.074 0.000 2.502 915 K HA 0.595 4.914 4.320 -0.000 0.000 0.257 915 K C -1.376 175.271 176.600 0.078 0.000 0.938 915 K CA -0.721 55.616 56.287 0.083 0.000 0.819 915 K CB 2.653 35.198 32.500 0.074 0.000 1.333 915 K HN 0.462 nan 8.250 nan 0.000 0.434 916 T N 2.045 116.658 114.554 0.098 0.000 2.772 916 T HA 0.198 4.548 4.350 -0.000 0.000 0.288 916 T C -0.272 174.452 174.700 0.040 0.000 0.994 916 T CA -0.563 61.608 62.100 0.119 0.000 0.951 916 T CB 0.929 69.893 68.868 0.160 0.000 0.933 916 T HN 0.115 nan 8.240 nan 0.000 0.447 917 K N 3.123 123.552 120.400 0.049 0.000 2.262 917 K HA 0.252 4.571 4.320 -0.000 0.000 0.288 917 K C 1.591 178.153 176.600 -0.063 0.000 1.090 917 K CA 0.337 56.635 56.287 0.019 0.000 0.918 917 K CB 0.081 32.635 32.500 0.090 0.000 1.139 917 K HN 0.875 nan 8.250 nan 0.000 0.462 918 G N 5.250 113.978 108.800 -0.120 0.000 3.347 918 G HA2 -0.473 3.486 3.960 -0.000 0.000 0.382 918 G HA3 -0.473 3.486 3.960 -0.000 0.000 0.382 918 G C 1.052 175.739 174.900 -0.355 0.000 2.033 918 G CA 1.415 46.393 45.100 -0.202 0.000 2.285 918 G HN 0.697 nan 8.290 nan 0.000 0.938 919 D N -0.038 120.136 120.400 -0.376 0.000 2.089 919 D HA 0.211 4.850 4.640 -0.000 0.000 0.246 919 D C 0.670 176.468 176.300 -0.836 0.000 1.015 919 D CA 0.676 54.243 54.000 -0.721 0.000 0.917 919 D CB -0.196 40.253 40.800 -0.584 0.000 1.015 919 D HN 0.219 nan 8.370 nan 0.000 0.425 920 F N 0.075 120.070 119.950 0.076 0.000 2.710 920 F HA 0.494 5.021 4.527 -0.000 0.000 0.345 920 F C -0.514 175.536 175.800 0.416 0.000 1.362 920 F CA -0.557 57.674 58.000 0.384 0.000 1.175 920 F CB 0.761 40.033 39.000 0.452 0.000 1.561 920 F HN -0.103 nan 8.300 nan 0.000 0.593 921 I N 1.604 122.481 120.570 0.512 0.000 2.752 921 I HA 0.550 4.719 4.170 -0.000 0.000 0.295 921 I C -1.286 174.969 176.117 0.231 0.000 1.219 921 I CA -0.570 60.916 61.300 0.310 0.000 1.030 921 I CB 2.531 40.648 38.000 0.194 0.000 1.259 921 I HN 0.112 nan 8.210 nan 0.000 0.423 922 L N 5.565 126.819 121.223 0.051 0.000 2.301 922 L HA 0.809 5.149 4.340 -0.000 0.000 0.249 922 L C -1.013 175.728 176.870 -0.215 0.000 1.069 922 L CA -0.875 53.926 54.840 -0.065 0.000 0.865 922 L CB 2.141 44.115 42.059 -0.142 0.000 1.467 922 L HN 0.311 nan 8.230 nan 0.000 0.419 923 V N -0.832 118.961 119.914 -0.203 0.000 3.225 923 V HA 0.880 5.000 4.120 -0.000 0.000 0.293 923 V C -1.067 174.959 176.094 -0.114 0.000 1.405 923 V CA 0.301 62.465 62.300 -0.226 0.000 1.038 923 V CB 1.975 33.609 31.823 -0.314 0.000 1.123 923 V HN 1.160 nan 8.190 nan 0.000 0.447 924 G N 2.953 111.708 108.800 -0.074 0.000 2.785 924 G HA2 0.138 4.097 3.960 -0.000 0.000 0.686 924 G HA3 0.138 4.097 3.960 -0.000 0.000 0.686 924 G C -1.158 173.747 174.900 0.010 0.000 1.155 924 G CA 0.244 45.357 45.100 0.022 0.000 0.760 924 G HN 1.100 nan 8.290 nan 0.000 0.624 925 D N 0.127 120.547 120.400 0.034 0.000 2.958 925 D HA 0.604 5.244 4.640 -0.000 0.000 0.306 925 D C 1.032 177.295 176.300 -0.062 0.000 1.226 925 D CA -0.066 53.900 54.000 -0.057 0.000 1.032 925 D CB 1.842 42.585 40.800 -0.096 0.000 1.400 925 D HN 0.763 nan 8.370 nan 0.000 0.587 926 L N 0.214 121.330 121.223 -0.178 0.000 2.546 926 L HA 0.315 4.655 4.340 -0.000 0.000 0.182 926 L C 1.845 178.491 176.870 -0.372 0.000 1.167 926 L CA 1.145 55.845 54.840 -0.232 0.000 0.845 926 L CB -0.374 41.487 42.059 -0.330 0.000 1.134 926 L HN 0.600 nan 8.230 nan 0.000 0.500 927 M N -1.077 118.179 119.600 -0.573 0.000 2.306 927 M HA 0.437 4.917 4.480 -0.000 0.000 0.292 927 M C -0.406 175.573 176.300 -0.535 0.000 1.018 927 M CA 0.053 54.762 55.300 -0.985 0.000 1.007 927 M CB 0.486 32.222 32.600 -1.439 0.000 1.510 927 M HN 0.020 nan 8.290 nan 0.000 0.537 928 R N 1.767 122.076 120.500 -0.317 0.000 2.748 928 R HA 0.454 4.794 4.340 -0.000 0.000 0.283 928 R C 0.252 176.473 176.300 -0.130 0.000 1.507 928 R CA 0.309 56.285 56.100 -0.206 0.000 1.666 928 R CB 0.271 30.445 30.300 -0.211 0.000 1.237 928 R HN 0.587 nan 8.270 nan 0.000 0.633 929 S N 0.406 116.062 115.700 -0.072 0.000 3.908 929 S HA -0.294 4.176 4.470 -0.000 0.000 0.571 929 S C 0.616 175.267 174.600 0.085 0.000 2.185 929 S CA 1.031 59.257 58.200 0.043 0.000 4.153 929 S CB -1.359 61.855 63.200 0.024 0.000 0.611 929 S HN 0.629 nan 8.310 nan 0.000 0.771 930 V N -1.655 118.328 119.914 0.115 0.000 3.074 930 V HA 0.966 5.086 4.120 -0.000 0.000 0.314 930 V C -0.329 175.769 176.094 0.007 0.000 1.117 930 V CA -1.120 61.224 62.300 0.073 0.000 1.014 930 V CB 1.331 33.221 31.823 0.112 0.000 1.057 930 V HN 0.929 nan 8.190 nan 0.000 0.438 931 L N 1.641 122.835 121.223 -0.049 0.000 2.256 931 L HA 0.853 5.193 4.340 -0.000 0.000 0.261 931 L C -0.837 175.954 176.870 -0.132 0.000 1.022 931 L CA -0.637 54.156 54.840 -0.078 0.000 0.828 931 L CB 1.876 43.871 42.059 -0.106 0.000 1.374 931 L HN 0.818 nan 8.230 nan 0.000 0.436 932 L N 0.914 122.066 121.223 -0.119 0.000 2.505 932 L HA 0.746 5.086 4.340 -0.000 0.000 0.266 932 L C -1.886 174.915 176.870 -0.114 0.000 0.954 932 L CA -0.093 54.661 54.840 -0.144 0.000 0.852 932 L CB 1.610 43.650 42.059 -0.032 0.000 1.282 932 L HN 0.323 nan 8.230 nan 0.000 0.403 933 L N 3.900 125.038 121.223 -0.142 0.000 2.333 933 L HA 0.992 5.332 4.340 -0.000 0.000 0.263 933 L C -0.419 176.491 176.870 0.067 0.000 1.014 933 L CA -0.411 54.355 54.840 -0.124 0.000 0.820 933 L CB 2.112 43.926 42.059 -0.409 0.000 1.352 933 L HN 0.751 nan 8.230 nan 0.000 0.421 934 A N 0.913 123.837 122.820 0.172 0.000 2.356 934 A HA 0.583 4.903 4.320 -0.000 0.000 0.310 934 A C -1.698 176.138 177.584 0.420 0.000 1.075 934 A CA -0.456 51.760 52.037 0.299 0.000 0.746 934 A CB 0.700 19.827 19.000 0.211 0.000 1.221 934 A HN 0.559 nan 8.150 nan 0.000 0.443 935 Y N 3.024 123.542 120.300 0.364 0.000 2.316 935 Y HA 0.474 5.024 4.550 -0.000 0.000 0.331 935 Y C -0.269 175.570 175.900 -0.101 0.000 1.083 935 Y CA -0.320 57.851 58.100 0.118 0.000 1.206 935 Y CB 0.929 39.506 38.460 0.194 0.000 1.195 935 Y HN 0.459 nan 8.280 nan 0.000 0.497 936 K N 8.224 128.140 120.400 -0.806 0.000 2.293 936 K HA 0.280 4.600 4.320 -0.000 0.000 0.267 936 K C -2.453 173.500 176.600 -1.079 0.000 1.010 936 K CA -2.174 53.677 56.287 -0.727 0.000 0.875 936 K CB 1.353 33.633 32.500 -0.367 0.000 1.106 936 K HN 0.473 nan 8.250 nan 0.000 0.450 937 P HA -0.057 nan 4.420 nan 0.000 0.261 937 P C 1.085 178.187 177.300 -0.330 0.000 1.297 937 P CA 0.543 63.311 63.100 -0.554 0.000 0.757 937 P CB 0.022 31.498 31.700 -0.373 0.000 1.149 938 M N 1.185 120.581 119.600 -0.340 0.000 2.334 938 M HA -0.164 4.315 4.480 -0.000 0.000 0.265 938 M C 0.993 177.181 176.300 -0.187 0.000 1.085 938 M CA 2.115 57.287 55.300 -0.213 0.000 1.093 938 M CB -0.117 32.369 32.600 -0.189 0.000 1.237 938 M HN -0.106 nan 8.290 nan 0.000 0.457 939 E N -0.681 119.395 120.200 -0.206 0.000 2.887 939 E HA 0.326 4.676 4.350 -0.000 0.000 0.206 939 E C 0.275 176.771 176.600 -0.174 0.000 0.983 939 E CA 0.065 56.375 56.400 -0.151 0.000 1.141 939 E CB 0.192 29.830 29.700 -0.104 0.000 1.061 939 E HN 0.836 nan 8.360 nan 0.000 0.468 940 G N 2.028 110.649 108.800 -0.299 0.000 2.367 940 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.295 940 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.295 940 G C -0.738 174.006 174.900 -0.260 0.000 1.019 940 G CA 0.378 45.316 45.100 -0.271 0.000 1.224 940 G HN 0.394 nan 8.290 nan 0.000 0.510 941 N N -0.644 117.834 118.700 -0.371 0.000 2.225 941 N HA 0.621 5.361 4.740 -0.000 0.000 0.298 941 N C -0.390 174.989 175.510 -0.217 0.000 1.076 941 N CA -0.656 52.248 53.050 -0.242 0.000 0.792 941 N CB 1.245 39.649 38.487 -0.138 0.000 1.498 941 N HN 0.081 nan 8.380 nan 0.000 0.474 942 F N 0.806 120.765 119.950 0.015 0.000 2.375 942 F HA 0.267 4.794 4.527 -0.000 0.000 0.333 942 F C 1.054 176.871 175.800 0.028 0.000 1.104 942 F CA -0.344 57.674 58.000 0.029 0.000 1.149 942 F CB 1.180 40.217 39.000 0.061 0.000 1.190 942 F HN 0.283 nan 8.300 nan 0.000 0.533 943 E N 3.240 123.603 120.200 0.271 0.000 2.265 943 E HA 0.085 4.435 4.350 -0.000 0.000 0.262 943 E C -1.260 175.400 176.600 0.099 0.000 0.889 943 E CA -0.622 55.867 56.400 0.148 0.000 0.789 943 E CB 1.337 31.094 29.700 0.094 0.000 1.221 943 E HN 0.684 nan 8.360 nan 0.000 0.414 944 E N 5.974 126.224 120.200 0.084 0.000 1.985 944 E HA 0.044 4.393 4.350 -0.000 0.000 0.268 944 E C 0.794 177.423 176.600 0.048 0.000 1.219 944 E CA -0.034 56.385 56.400 0.031 0.000 0.942 944 E CB 0.313 30.070 29.700 0.095 0.000 1.045 944 E HN 0.646 nan 8.360 nan 0.000 0.413 945 I N 3.241 123.836 120.570 0.041 0.000 2.090 945 I HA -0.123 4.047 4.170 -0.000 0.000 0.236 945 I C 1.003 177.169 176.117 0.082 0.000 1.064 945 I CA 1.087 62.429 61.300 0.070 0.000 1.324 945 I CB -0.109 37.943 38.000 0.088 0.000 1.044 945 I HN 0.487 nan 8.210 nan 0.000 0.399 946 A N 0.270 123.139 122.820 0.082 0.000 2.604 946 A HA 0.776 5.096 4.320 -0.000 0.000 0.295 946 A C -1.038 176.607 177.584 0.101 0.000 1.067 946 A CA -0.683 51.421 52.037 0.111 0.000 0.683 946 A CB 1.446 20.531 19.000 0.142 0.000 1.281 946 A HN 0.338 nan 8.150 nan 0.000 0.407 947 R N 0.677 121.262 120.500 0.141 0.000 2.668 947 R HA 0.671 5.011 4.340 -0.000 0.000 0.272 947 R C -1.609 174.821 176.300 0.216 0.000 1.019 947 R CA -0.766 55.393 56.100 0.099 0.000 0.894 947 R CB 1.422 31.690 30.300 -0.054 0.000 1.228 947 R HN 0.485 nan 8.270 nan 0.000 0.460 948 D N 0.896 121.389 120.400 0.155 0.000 2.350 948 D HA 0.162 4.802 4.640 -0.000 0.000 0.249 948 D C -0.477 175.907 176.300 0.139 0.000 1.119 948 D CA -0.275 53.856 54.000 0.218 0.000 0.886 948 D CB 0.584 41.504 40.800 0.200 0.000 1.195 948 D HN 0.513 nan 8.370 nan 0.000 0.437 949 F N 1.439 121.405 119.950 0.026 0.000 2.678 949 F HA 0.242 4.769 4.527 -0.000 0.000 0.305 949 F C 0.489 176.295 175.800 0.011 0.000 1.090 949 F CA -0.468 57.544 58.000 0.019 0.000 1.272 949 F CB -0.233 38.822 39.000 0.091 0.000 1.060 949 F HN 0.201 nan 8.300 nan 0.000 0.576 950 N N 1.917 120.683 118.700 0.109 0.000 2.399 950 N HA 0.168 4.908 4.740 -0.000 0.000 0.250 950 N C -2.533 172.967 175.510 -0.016 0.000 1.272 950 N CA -1.258 51.807 53.050 0.024 0.000 0.928 950 N CB -0.067 38.382 38.487 -0.063 0.000 1.158 950 N HN -0.159 nan 8.380 nan 0.000 0.463 951 P HA 0.289 nan 4.420 nan 0.000 0.212 951 P C -1.320 176.022 177.300 0.070 0.000 1.860 951 P CA -0.524 62.589 63.100 0.021 0.000 1.135 951 P CB 0.072 31.819 31.700 0.078 0.000 1.801 952 N N 1.130 119.826 118.700 -0.006 0.000 2.498 952 N HA 0.159 4.899 4.740 -0.000 0.000 0.287 952 N C -0.640 174.927 175.510 0.096 0.000 1.097 952 N CA -0.132 52.948 53.050 0.050 0.000 0.973 952 N CB 0.656 39.068 38.487 -0.125 0.000 1.153 952 N HN 0.237 nan 8.380 nan 0.000 0.472 953 W N 2.582 123.863 121.300 -0.032 0.000 2.226 953 W HA 0.305 4.965 4.660 -0.000 0.000 0.379 953 W C 0.030 176.554 176.519 0.010 0.000 0.923 953 W CA -0.561 56.776 57.345 -0.013 0.000 1.524 953 W CB -0.053 29.385 29.460 -0.037 0.000 1.552 953 W HN 0.185 nan 8.180 nan 0.000 0.337 954 M N 1.806 121.512 119.600 0.177 0.000 2.252 954 M HA -0.019 4.461 4.480 -0.000 0.000 0.321 954 M C 1.370 177.793 176.300 0.205 0.000 1.070 954 M CA 0.791 56.212 55.300 0.201 0.000 1.143 954 M CB 0.390 33.141 32.600 0.251 0.000 1.498 954 M HN 0.494 nan 8.290 nan 0.000 0.445 955 S N -0.462 115.239 115.700 0.002 0.000 2.648 955 S HA 0.575 5.045 4.470 -0.000 0.000 0.270 955 S C 0.060 174.357 174.600 -0.505 0.000 1.080 955 S CA 0.182 58.338 58.200 -0.074 0.000 1.159 955 S CB 0.619 63.749 63.200 -0.116 0.000 1.091 955 S HN 0.952 nan 8.310 nan 0.000 0.605 956 A N 0.626 123.142 122.820 -0.507 0.000 2.555 956 A HA 0.694 5.014 4.320 -0.000 0.000 0.297 956 A C -1.515 176.026 177.584 -0.071 0.000 1.060 956 A CA -0.537 51.234 52.037 -0.443 0.000 0.710 956 A CB 1.579 20.312 19.000 -0.446 0.000 1.282 956 A HN 0.663 nan 8.150 nan 0.000 0.399 957 V N 1.267 121.189 119.914 0.013 0.000 2.686 957 V HA 0.797 4.917 4.120 -0.000 0.000 0.306 957 V C -0.632 175.542 176.094 0.133 0.000 1.065 957 V CA -0.420 61.926 62.300 0.078 0.000 0.894 957 V CB 1.883 33.724 31.823 0.031 0.000 1.004 957 V HN 1.052 nan 8.190 nan 0.000 0.424 958 E N 3.198 123.380 120.200 -0.031 0.000 2.308 958 E HA 0.589 4.939 4.350 -0.000 0.000 0.275 958 E C -1.499 175.091 176.600 -0.017 0.000 0.890 958 E CA -0.487 55.895 56.400 -0.030 0.000 0.754 958 E CB 1.890 31.498 29.700 -0.155 0.000 1.207 958 E HN 0.612 nan 8.360 nan 0.000 0.426 959 I N 6.349 126.981 120.570 0.103 0.000 2.352 959 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 959 I C 0.961 177.201 176.117 0.205 0.000 1.036 959 I CA -0.145 61.290 61.300 0.225 0.000 1.336 959 I CB 0.683 38.806 38.000 0.205 0.000 1.407 959 I HN 0.624 nan 8.210 nan 0.000 0.497 960 L N 4.682 125.980 121.223 0.126 0.000 2.102 960 L HA 0.058 4.398 4.340 -0.000 0.000 0.202 960 L C 0.227 177.145 176.870 0.081 0.000 1.076 960 L CA 0.780 55.653 54.840 0.054 0.000 0.761 960 L CB -0.348 41.669 42.059 -0.070 0.000 0.921 960 L HN 0.726 nan 8.230 nan 0.000 0.444 961 D N -3.701 116.718 120.400 0.032 0.000 2.692 961 D HA 0.057 4.697 4.640 -0.000 0.000 0.303 961 D C -0.218 176.084 176.300 0.003 0.000 1.278 961 D CA -0.638 53.368 54.000 0.011 0.000 0.852 961 D CB 0.303 41.079 40.800 -0.040 0.000 1.375 961 D HN -0.272 nan 8.370 nan 0.000 0.453 962 D N -0.762 119.639 120.400 0.001 0.000 2.362 962 D HA -0.059 4.581 4.640 -0.000 0.000 0.215 962 D C 0.258 176.530 176.300 -0.048 0.000 0.978 962 D CA 1.330 55.352 54.000 0.036 0.000 0.921 962 D CB 0.138 40.948 40.800 0.016 0.000 0.895 962 D HN 0.339 nan 8.370 nan 0.000 0.494 963 D N -1.426 118.809 120.400 -0.276 0.000 2.331 963 D HA 0.023 4.663 4.640 -0.000 0.000 0.300 963 D C -0.051 175.640 176.300 -1.016 0.000 1.090 963 D CA -0.118 53.550 54.000 -0.553 0.000 0.905 963 D CB 0.008 40.624 40.800 -0.307 0.000 1.600 963 D HN -0.010 nan 8.370 nan 0.000 0.511 964 N N 1.230 119.541 118.700 -0.649 0.000 2.401 964 N HA 0.209 4.949 4.740 -0.000 0.000 0.255 964 N C -0.858 174.423 175.510 -0.381 0.000 1.110 964 N CA 0.171 52.913 53.050 -0.513 0.000 0.949 964 N CB 0.167 38.481 38.487 -0.288 0.000 1.110 964 N HN 0.039 nan 8.380 nan 0.000 0.490 965 F N 1.848 121.733 119.950 -0.109 0.000 2.402 965 F HA 0.363 4.890 4.527 -0.000 0.000 0.355 965 F C 0.494 176.154 175.800 -0.234 0.000 1.123 965 F CA -1.024 56.895 58.000 -0.135 0.000 1.021 965 F CB 1.717 40.668 39.000 -0.081 0.000 1.160 965 F HN 0.072 nan 8.300 nan 0.000 0.451 966 L N 3.675 124.820 121.223 -0.131 0.000 2.275 966 L HA 0.738 5.077 4.340 -0.000 0.000 0.288 966 L C -0.030 176.575 176.870 -0.441 0.000 1.046 966 L CA -0.113 54.517 54.840 -0.351 0.000 0.805 966 L CB 0.976 42.735 42.059 -0.501 0.000 1.193 966 L HN 0.786 nan 8.230 nan 0.000 0.426 967 G N 3.251 111.637 108.800 -0.690 0.000 2.524 967 G HA2 0.750 4.710 3.960 -0.000 0.000 0.310 967 G HA3 0.750 4.710 3.960 -0.000 0.000 0.310 967 G C -1.512 173.206 174.900 -0.302 0.000 1.279 967 G CA -0.359 44.361 45.100 -0.633 0.000 0.974 967 G HN 0.834 nan 8.290 nan 0.000 0.484 968 A N 0.833 123.694 122.820 0.068 0.000 2.384 968 A HA 0.923 5.242 4.320 -0.000 0.000 0.312 968 A C -0.578 177.045 177.584 0.066 0.000 1.113 968 A CA -0.687 51.401 52.037 0.085 0.000 0.779 968 A CB 2.130 21.108 19.000 -0.036 0.000 1.307 968 A HN 0.799 nan 8.150 nan 0.000 0.436 969 E N 1.188 121.355 120.200 -0.054 0.000 2.354 969 E HA 0.146 4.496 4.350 -0.000 0.000 0.283 969 E C -0.612 175.744 176.600 -0.407 0.000 0.938 969 E CA -0.691 55.639 56.400 -0.116 0.000 0.777 969 E CB 1.036 30.797 29.700 0.102 0.000 1.222 969 E HN 0.537 nan 8.360 nan 0.000 0.423 970 N N 2.160 120.582 118.700 -0.463 0.000 2.307 970 N HA -0.268 4.472 4.740 -0.000 0.000 0.201 970 N C 1.105 176.136 175.510 -0.798 0.000 0.943 970 N CA 2.384 55.057 53.050 -0.627 0.000 0.941 970 N CB -0.353 38.006 38.487 -0.213 0.000 1.057 970 N HN 0.544 nan 8.380 nan 0.000 0.601 971 A N -0.900 121.573 122.820 -0.579 0.000 2.476 971 A HA 0.335 4.655 4.320 -0.000 0.000 0.263 971 A C -0.047 177.271 177.584 -0.445 0.000 1.342 971 A CA -0.380 51.328 52.037 -0.549 0.000 0.926 971 A CB -0.976 17.856 19.000 -0.280 0.000 1.019 971 A HN 0.313 nan 8.150 nan 0.000 0.515 972 F N -1.925 117.867 119.950 -0.263 0.000 2.973 972 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 972 F C 0.319 175.871 175.800 -0.413 0.000 0.737 972 F CA 0.555 58.357 58.000 -0.331 0.000 1.151 972 F CB -2.206 36.599 39.000 -0.325 0.000 1.440 972 F HN 0.388 nan 8.300 nan 0.000 0.367 973 N N 1.687 120.269 118.700 -0.196 0.000 2.430 973 N HA 0.596 5.336 4.740 -0.000 0.000 0.292 973 N C -0.134 175.407 175.510 0.052 0.000 1.051 973 N CA -0.510 52.460 53.050 -0.133 0.000 0.917 973 N CB 1.832 40.140 38.487 -0.299 0.000 1.164 973 N HN 0.109 nan 8.380 nan 0.000 0.484 974 L N 2.399 123.654 121.223 0.054 0.000 2.357 974 L HA 0.536 4.875 4.340 -0.000 0.000 0.273 974 L C -0.180 176.877 176.870 0.311 0.000 1.080 974 L CA -0.667 54.218 54.840 0.075 0.000 0.803 974 L CB 0.391 42.319 42.059 -0.218 0.000 1.174 974 L HN 0.553 nan 8.230 nan 0.000 0.443 975 F N 0.756 120.786 119.950 0.133 0.000 2.662 975 F HA 0.821 5.348 4.527 -0.000 0.000 0.312 975 F C -1.427 174.491 175.800 0.197 0.000 1.113 975 F CA -1.008 57.102 58.000 0.182 0.000 0.951 975 F CB 1.614 40.685 39.000 0.119 0.000 1.344 975 F HN 0.007 nan 8.300 nan 0.000 0.462 976 V N 1.424 121.458 119.914 0.200 0.000 2.686 976 V HA 0.484 4.604 4.120 -0.000 0.000 0.306 976 V C -0.953 175.192 176.094 0.084 0.000 1.065 976 V CA -0.697 61.612 62.300 0.015 0.000 0.894 976 V CB 1.606 33.425 31.823 -0.007 0.000 1.004 976 V HN 1.128 nan 8.190 nan 0.000 0.424 977 C N 4.262 123.591 119.300 0.048 0.000 2.529 977 C HA 0.890 5.350 4.460 -0.000 0.000 0.329 977 C C -0.217 174.730 174.990 -0.073 0.000 1.194 977 C CA -0.488 58.593 59.018 0.105 0.000 1.779 977 C CB 1.504 29.405 27.740 0.268 0.000 2.322 977 C HN 1.020 nan 8.230 nan 0.000 0.500 978 Q N 2.008 121.756 119.800 -0.087 0.000 2.435 978 Q HA 0.489 4.828 4.340 -0.000 0.000 0.282 978 Q C -1.472 174.481 176.000 -0.078 0.000 1.020 978 Q CA -0.834 54.837 55.803 -0.220 0.000 0.820 978 Q CB 1.316 29.894 28.738 -0.267 0.000 1.436 978 Q HN 0.676 nan 8.270 nan 0.000 0.395 979 K N 1.574 121.930 120.400 -0.074 0.000 2.322 979 K HA 0.131 4.450 4.320 -0.000 0.000 0.283 979 K C -0.630 175.963 176.600 -0.012 0.000 1.042 979 K CA -0.390 55.905 56.287 0.013 0.000 0.958 979 K CB 0.828 33.359 32.500 0.052 0.000 0.984 979 K HN 0.724 nan 8.250 nan 0.000 0.473 980 D N 1.725 122.132 120.400 0.012 0.000 2.493 980 D HA -0.055 4.585 4.640 -0.000 0.000 0.240 980 D C -0.776 175.520 176.300 -0.007 0.000 1.142 980 D CA 0.319 54.316 54.000 -0.005 0.000 0.872 980 D CB 0.528 41.330 40.800 0.003 0.000 1.173 980 D HN 0.448 nan 8.370 nan 0.000 0.467 981 S N 2.278 117.965 115.700 -0.022 0.000 2.514 981 S HA 0.607 5.077 4.470 -0.000 0.000 0.179 981 S C -0.241 174.349 174.600 -0.018 0.000 1.409 981 S CA -0.574 57.616 58.200 -0.018 0.000 1.138 981 S CB 0.394 63.578 63.200 -0.027 0.000 1.217 981 S HN 0.592 nan 8.310 nan 0.000 0.493 982 A N 1.361 124.173 122.820 -0.014 0.000 2.387 982 A HA 0.973 5.293 4.320 -0.000 0.000 0.298 982 A C 0.280 177.858 177.584 -0.010 0.000 1.165 982 A CA -0.714 51.313 52.037 -0.016 0.000 0.814 982 A CB 0.596 19.582 19.000 -0.023 0.000 1.357 982 A HN 0.636 nan 8.150 nan 0.000 0.443 983 A N -0.203 122.610 122.820 -0.012 0.000 2.325 983 A HA 0.538 4.858 4.320 -0.000 0.000 0.260 983 A C 1.084 178.663 177.584 -0.009 0.000 1.133 983 A CA 0.861 52.893 52.037 -0.008 0.000 0.801 983 A CB -0.924 18.070 19.000 -0.010 0.000 1.092 983 A HN 2.692 nan 8.150 nan 0.000 0.504 984 T N -3.024 111.527 114.554 -0.006 0.000 3.782 984 T HA -0.202 4.148 4.350 -0.000 0.000 0.383 984 T C 0.360 175.061 174.700 0.001 0.000 0.762 984 T CA 1.407 63.504 62.100 -0.005 0.000 2.005 984 T CB -2.804 66.056 68.868 -0.013 0.000 1.765 984 T HN 2.309 nan 8.240 nan 0.000 0.774 985 T N -2.830 111.729 114.554 0.009 0.000 3.324 985 T HA 0.272 4.622 4.350 -0.000 0.000 0.250 985 T C 0.728 175.446 174.700 0.029 0.000 1.059 985 T CA 0.429 62.540 62.100 0.019 0.000 0.951 985 T CB 0.012 68.892 68.868 0.021 0.000 1.030 985 T HN 0.421 nan 8.240 nan 0.000 0.576 986 D N 0.192 120.608 120.400 0.025 0.000 2.340 986 D HA 0.235 4.874 4.640 -0.000 0.000 0.217 986 D C 1.419 177.745 176.300 0.044 0.000 1.081 986 D CA 0.195 54.215 54.000 0.034 0.000 0.842 986 D CB 0.500 41.315 40.800 0.025 0.000 0.934 986 D HN 0.558 nan 8.370 nan 0.000 0.511 987 E N -0.673 119.552 120.200 0.041 0.000 3.566 987 E HA 0.114 4.464 4.350 -0.000 0.000 0.241 987 E C 1.165 177.803 176.600 0.064 0.000 1.208 987 E CA 0.202 56.633 56.400 0.051 0.000 1.773 987 E CB 0.046 29.744 29.700 -0.003 0.000 1.818 987 E HN -0.022 nan 8.360 nan 0.000 0.865 988 E N 0.296 120.499 120.200 0.005 0.000 2.274 988 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 988 E C 1.778 178.404 176.600 0.045 0.000 0.996 988 E CA 0.726 57.118 56.400 -0.013 0.000 0.840 988 E CB 0.130 29.806 29.700 -0.039 0.000 0.772 988 E HN -0.079 nan 8.360 nan 0.000 0.491 989 R N 1.183 121.717 120.500 0.056 0.000 2.090 989 R HA -0.150 4.190 4.340 -0.000 0.000 0.228 989 R C 2.150 178.513 176.300 0.104 0.000 1.110 989 R CA 1.360 57.502 56.100 0.070 0.000 0.973 989 R CB -0.197 30.137 30.300 0.057 0.000 0.869 989 R HN -0.026 nan 8.270 nan 0.000 0.440 990 Q N -0.166 119.709 119.800 0.125 0.000 2.234 990 Q HA -0.101 4.239 4.340 -0.000 0.000 0.206 990 Q C -0.331 175.728 176.000 0.098 0.000 0.980 990 Q CA 1.440 57.318 55.803 0.124 0.000 0.869 990 Q CB 0.017 28.832 28.738 0.129 0.000 0.912 990 Q HN 0.515 nan 8.270 nan 0.000 0.436 991 H N -0.119 118.958 119.070 0.011 0.000 2.458 991 H HA 0.378 4.934 4.556 -0.000 0.000 0.330 991 H C -0.885 174.485 175.328 0.069 0.000 1.111 991 H CA -0.940 55.117 56.048 0.016 0.000 1.245 991 H CB 1.119 30.758 29.762 -0.205 0.000 1.456 991 H HN 0.050 nan 8.280 nan 0.000 0.488 992 L N 0.881 122.240 121.223 0.227 0.000 2.305 992 L HA 0.423 4.763 4.340 -0.000 0.000 0.284 992 L C -0.151 176.812 176.870 0.157 0.000 1.013 992 L CA -1.110 53.833 54.840 0.170 0.000 0.819 992 L CB 1.173 43.347 42.059 0.191 0.000 1.227 992 L HN 0.359 nan 8.230 nan 0.000 0.417 993 Q N 1.575 121.430 119.800 0.092 0.000 2.340 993 Q HA 0.295 4.635 4.340 -0.000 0.000 0.249 993 Q C -0.465 175.575 176.000 0.067 0.000 0.957 993 Q CA 0.150 55.992 55.803 0.065 0.000 0.882 993 Q CB 0.962 29.709 28.738 0.015 0.000 1.235 993 Q HN 0.582 nan 8.270 nan 0.000 0.439 994 E N 1.577 121.813 120.200 0.061 0.000 1.944 994 E HA 0.032 4.381 4.350 -0.000 0.000 0.272 994 E C 0.147 176.762 176.600 0.024 0.000 1.195 994 E CA -0.053 56.389 56.400 0.070 0.000 0.926 994 E CB 0.242 29.944 29.700 0.004 0.000 1.051 994 E HN 0.480 nan 8.360 nan 0.000 0.404 995 V N 0.548 120.474 119.914 0.019 0.000 3.577 995 V HA 0.401 4.521 4.120 -0.000 0.000 0.294 995 V C 0.583 176.668 176.094 -0.015 0.000 1.317 995 V CA 0.175 62.455 62.300 -0.034 0.000 1.169 995 V CB 0.191 31.951 31.823 -0.105 0.000 1.011 995 V HN 0.491 nan 8.190 nan 0.000 0.426 996 G N 0.696 109.543 108.800 0.079 0.000 2.020 996 G HA2 0.518 4.477 3.960 -0.000 0.000 0.304 996 G HA3 0.518 4.477 3.960 -0.000 0.000 0.304 996 G C -1.258 173.872 174.900 0.383 0.000 1.500 996 G CA -0.683 44.541 45.100 0.207 0.000 1.120 996 G HN 0.246 nan 8.290 nan 0.000 0.555 997 L N 1.274 122.677 121.223 0.300 0.000 2.365 997 L HA 0.919 5.259 4.340 -0.000 0.000 0.267 997 L C -0.440 176.674 176.870 0.406 0.000 1.033 997 L CA -1.252 53.735 54.840 0.246 0.000 0.802 997 L CB 1.911 43.905 42.059 -0.109 0.000 1.267 997 L HN 0.477 nan 8.230 nan 0.000 0.457 998 F N -0.516 119.510 119.950 0.126 0.000 2.689 998 F HA 0.197 4.724 4.527 -0.000 0.000 0.314 998 F C -1.120 174.593 175.800 -0.145 0.000 1.068 998 F CA -0.756 57.155 58.000 -0.149 0.000 1.023 998 F CB 0.869 39.428 39.000 -0.734 0.000 1.264 998 F HN 0.442 nan 8.300 nan 0.000 0.474 999 H N 6.401 124.846 119.070 -1.042 0.000 2.680 999 H HA 0.423 4.979 4.556 -0.000 0.000 0.260 999 H C 0.678 175.318 175.328 -1.146 0.000 1.328 999 H CA -0.045 55.445 56.048 -0.929 0.000 1.269 999 H CB 0.726 29.951 29.762 -0.895 0.000 1.446 999 H HN 0.788 nan 8.280 nan 0.000 0.527 1000 L N 3.344 124.048 121.223 -0.866 0.000 2.043 1000 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 1000 L C 1.409 177.936 176.870 -0.570 0.000 1.075 1000 L CA 1.631 56.177 54.840 -0.491 0.000 0.752 1000 L CB -0.235 41.709 42.059 -0.192 0.000 0.891 1000 L HN 1.017 nan 8.230 nan 0.000 0.432 1001 G N 0.114 108.372 108.800 -0.903 0.000 2.204 1001 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 1001 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 1001 G C -0.235 174.520 174.900 -0.242 0.000 1.062 1001 G CA 0.028 44.792 45.100 -0.561 0.000 0.798 1001 G HN 0.407 nan 8.290 nan 0.000 0.496 1002 E N -1.143 119.015 120.200 -0.071 0.000 2.343 1002 E HA 0.224 4.574 4.350 -0.000 0.000 0.288 1002 E C -0.949 175.850 176.600 0.331 0.000 0.907 1002 E CA -0.832 55.653 56.400 0.141 0.000 0.792 1002 E CB 1.318 31.107 29.700 0.148 0.000 1.275 1002 E HN 0.190 nan 8.360 nan 0.000 0.402 1003 F N 2.942 123.113 119.950 0.369 0.000 2.533 1003 F HA 0.063 4.589 4.527 -0.000 0.000 0.378 1003 F C 0.073 175.902 175.800 0.049 0.000 1.070 1003 F CA -0.249 57.865 58.000 0.190 0.000 1.172 1003 F CB 0.445 39.553 39.000 0.181 0.000 1.085 1003 F HN 0.103 nan 8.300 nan 0.000 0.552 1004 V N 7.515 127.517 119.914 0.146 0.000 2.348 1004 V HA 0.084 4.204 4.120 -0.000 0.000 0.270 1004 V C 0.663 176.783 176.094 0.042 0.000 1.037 1004 V CA -0.606 61.698 62.300 0.008 0.000 0.872 1004 V CB 0.918 32.528 31.823 -0.355 0.000 1.002 1004 V HN 0.773 nan 8.190 nan 0.000 0.464 1005 N N 2.798 121.541 118.700 0.071 0.000 2.220 1005 N HA 0.037 4.777 4.740 -0.000 0.000 0.182 1005 N C 0.165 175.615 175.510 -0.100 0.000 1.023 1005 N CA 1.003 54.073 53.050 0.033 0.000 0.856 1005 N CB 0.773 39.271 38.487 0.019 0.000 0.997 1005 N HN 0.492 nan 8.380 nan 0.000 0.429 1006 V N 0.461 120.276 119.914 -0.165 0.000 2.808 1006 V HA 0.449 4.569 4.120 -0.000 0.000 0.308 1006 V C -1.618 174.357 176.094 -0.199 0.000 1.099 1006 V CA -0.763 61.451 62.300 -0.144 0.000 0.920 1006 V CB 1.560 33.375 31.823 -0.013 0.000 1.014 1006 V HN -0.050 nan 8.190 nan 0.000 0.425 1007 F N 5.006 125.001 119.950 0.076 0.000 2.541 1007 F HA 0.898 5.425 4.527 -0.000 0.000 0.331 1007 F C 0.303 176.156 175.800 0.088 0.000 1.057 1007 F CA -0.018 58.036 58.000 0.089 0.000 0.975 1007 F CB 2.005 41.024 39.000 0.032 0.000 1.246 1007 F HN 0.949 nan 8.300 nan 0.000 0.484 1008 C N -0.872 118.613 119.300 0.309 0.000 3.176 1008 C HA 0.367 4.827 4.460 -0.000 0.000 0.343 1008 C C -1.637 173.438 174.990 0.141 0.000 1.332 1008 C CA -1.024 58.140 59.018 0.243 0.000 1.200 1008 C CB 1.087 28.951 27.740 0.207 0.000 1.440 1008 C HN 0.879 nan 8.230 nan 0.000 0.458 1009 H N 0.850 119.982 119.070 0.105 0.000 2.481 1009 H HA 0.670 5.226 4.556 -0.000 0.000 0.339 1009 H C 0.613 175.985 175.328 0.072 0.000 1.131 1009 H CA 0.991 57.087 56.048 0.080 0.000 1.301 1009 H CB 1.690 31.488 29.762 0.060 0.000 1.476 1009 H HN 1.540 nan 8.280 nan 0.000 0.529 1010 G N 0.350 109.243 108.800 0.154 0.000 2.326 1010 G HA2 0.148 4.108 3.960 -0.000 0.000 0.413 1010 G HA3 0.148 4.108 3.960 -0.000 0.000 0.413 1010 G C -1.388 173.556 174.900 0.073 0.000 1.444 1010 G CA -0.305 44.858 45.100 0.104 0.000 1.002 1010 G HN 0.664 nan 8.290 nan 0.000 0.649 1011 S N -1.104 114.633 115.700 0.062 0.000 2.569 1011 S HA 0.684 5.154 4.470 -0.000 0.000 0.280 1011 S C 0.690 175.319 174.600 0.047 0.000 1.111 1011 S CA -0.598 57.637 58.200 0.058 0.000 0.887 1011 S CB 1.713 64.948 63.200 0.059 0.000 1.095 1011 S HN 1.000 nan 8.310 nan 0.000 0.476 1012 L N 2.774 124.028 121.223 0.052 0.000 2.591 1012 L HA 0.247 4.587 4.340 -0.000 0.000 0.228 1012 L C 0.623 177.511 176.870 0.031 0.000 1.133 1012 L CA 0.198 55.061 54.840 0.038 0.000 0.880 1012 L CB 0.185 42.269 42.059 0.041 0.000 1.033 1012 L HN 0.660 nan 8.230 nan 0.000 0.450 1013 V N -4.156 115.778 119.914 0.034 0.000 3.528 1013 V HA 0.750 4.870 4.120 -0.000 0.000 0.301 1013 V C 0.002 176.104 176.094 0.013 0.000 1.332 1013 V CA -0.873 61.437 62.300 0.016 0.000 1.004 1013 V CB 1.173 33.003 31.823 0.011 0.000 1.222 1013 V HN 0.321 nan 8.190 nan 0.000 0.478 1014 M N -2.644 116.958 119.600 0.003 0.000 7.319 1014 M HA -0.098 4.382 4.480 -0.000 0.000 0.115 1014 M C -0.456 175.841 176.300 -0.006 0.000 0.480 1014 M CA 0.609 55.908 55.300 -0.001 0.000 1.311 1014 M CB -1.853 30.750 32.600 0.006 0.000 0.421 1014 M HN 0.949 nan 8.290 nan 0.000 0.504 1024 T N -2.302 112.007 114.554 -0.409 0.000 2.591 1024 T HA 0.755 5.105 4.350 -0.000 0.000 0.274 1024 T C -1.264 173.324 174.700 -0.187 0.000 0.945 1024 T CA -0.537 61.388 62.100 -0.291 0.000 1.087 1024 T CB 2.586 71.364 68.868 -0.150 0.000 1.416 1024 T HN 0.126 nan 8.240 nan 0.000 0.514 1025 Q N -0.333 119.403 119.800 -0.108 0.000 2.364 1025 Q HA 0.484 4.823 4.340 -0.000 0.000 0.257 1025 Q C -0.426 175.557 176.000 -0.029 0.000 0.956 1025 Q CA 0.151 55.912 55.803 -0.071 0.000 0.924 1025 Q CB 1.372 30.060 28.738 -0.084 0.000 1.413 1025 Q HN 1.615 nan 8.270 nan 0.000 0.418 1026 G N 1.560 110.356 108.800 -0.007 0.000 2.757 1026 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.638 1026 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.638 1026 G C -0.935 173.978 174.900 0.022 0.000 1.344 1026 G CA -0.175 44.935 45.100 0.016 0.000 0.855 1026 G HN 0.941 nan 8.290 nan 0.000 0.537 1027 S N -1.668 114.037 115.700 0.009 0.000 2.546 1027 S HA 0.495 4.965 4.470 -0.000 0.000 0.303 1027 S C -1.072 173.489 174.600 -0.065 0.000 1.067 1027 S CA 0.201 58.408 58.200 0.011 0.000 0.944 1027 S CB 1.125 64.353 63.200 0.048 0.000 1.155 1027 S HN 1.837 nan 8.310 nan 0.000 0.449 1028 V N 6.257 126.137 119.914 -0.057 0.000 2.419 1028 V HA 0.467 4.587 4.120 -0.000 0.000 0.287 1028 V C -0.162 176.004 176.094 0.120 0.000 1.017 1028 V CA -0.536 61.706 62.300 -0.096 0.000 0.844 1028 V CB 1.376 33.045 31.823 -0.256 0.000 1.011 1028 V HN 0.827 nan 8.190 nan 0.000 0.429 1029 L N 5.711 127.008 121.223 0.123 0.000 2.395 1029 L HA 0.605 4.945 4.340 -0.000 0.000 0.269 1029 L C -0.349 176.696 176.870 0.292 0.000 1.133 1029 L CA -0.111 54.808 54.840 0.132 0.000 0.812 1029 L CB 0.813 42.895 42.059 0.038 0.000 1.125 1029 L HN 0.717 nan 8.230 nan 0.000 0.452 1030 F N -0.171 119.833 119.950 0.089 0.000 2.578 1030 F HA 0.832 5.359 4.527 -0.000 0.000 0.311 1030 F C -0.052 175.716 175.800 -0.054 0.000 1.094 1030 F CA -0.906 57.096 58.000 0.004 0.000 0.923 1030 F CB 1.288 40.263 39.000 -0.042 0.000 1.230 1030 F HN 0.358 nan 8.300 nan 0.000 0.450 1031 G N 1.021 109.826 108.800 0.007 0.000 2.388 1031 G HA2 0.590 4.550 3.960 -0.000 0.000 0.330 1031 G HA3 0.590 4.550 3.960 -0.000 0.000 0.330 1031 G C -0.983 173.944 174.900 0.045 0.000 1.142 1031 G CA -0.531 44.544 45.100 -0.042 0.000 0.908 1031 G HN 1.012 nan 8.290 nan 0.000 0.473 1032 T N -1.457 113.124 114.554 0.045 0.000 2.910 1032 T HA 0.414 4.763 4.350 -0.000 0.000 0.287 1032 T C 1.073 175.801 174.700 0.046 0.000 1.050 1032 T CA -0.600 61.566 62.100 0.109 0.000 1.011 1032 T CB 1.543 70.514 68.868 0.171 0.000 1.195 1032 T HN 0.158 nan 8.240 nan 0.000 0.540 1033 V N 1.174 121.128 119.914 0.068 0.000 2.515 1033 V HA -0.074 4.046 4.120 -0.000 0.000 0.250 1033 V C 2.055 178.144 176.094 -0.009 0.000 1.058 1033 V CA 1.482 63.774 62.300 -0.013 0.000 1.064 1033 V CB -0.793 30.995 31.823 -0.058 0.000 0.675 1033 V HN 0.772 nan 8.190 nan 0.000 0.461 1034 N N -0.142 118.573 118.700 0.025 0.000 2.398 1034 N HA 0.085 4.825 4.740 -0.000 0.000 0.188 1034 N C 1.491 176.994 175.510 -0.011 0.000 1.122 1034 N CA 0.994 54.047 53.050 0.007 0.000 0.866 1034 N CB 0.865 39.363 38.487 0.017 0.000 0.970 1034 N HN 0.550 nan 8.380 nan 0.000 0.462 1035 G N 0.113 108.901 108.800 -0.020 0.000 2.175 1035 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 1035 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 1035 G C 0.202 175.070 174.900 -0.053 0.000 0.982 1035 G CA 0.021 45.095 45.100 -0.044 0.000 0.641 1035 G HN 0.280 nan 8.290 nan 0.000 0.527 1036 M N 1.390 120.967 119.600 -0.038 0.000 2.238 1036 M HA 0.487 4.967 4.480 -0.000 0.000 0.350 1036 M C -0.072 176.135 176.300 -0.156 0.000 1.321 1036 M CA 0.265 55.527 55.300 -0.064 0.000 1.097 1036 M CB 0.091 32.687 32.600 -0.007 0.000 1.713 1036 M HN 0.204 nan 8.290 nan 0.000 0.455 1037 I N 4.699 125.136 120.570 -0.221 0.000 2.330 1037 I HA 0.408 4.577 4.170 -0.000 0.000 0.289 1037 I C 0.651 176.435 176.117 -0.556 0.000 1.001 1037 I CA -0.546 60.536 61.300 -0.364 0.000 1.193 1037 I CB 1.618 39.478 38.000 -0.233 0.000 1.345 1037 I HN 0.775 nan 8.210 nan 0.000 0.461 1038 G N 5.747 113.829 108.800 -1.197 0.000 2.552 1038 G HA2 0.732 4.692 3.960 -0.000 0.000 0.318 1038 G HA3 0.732 4.692 3.960 -0.000 0.000 0.318 1038 G C -1.509 173.001 174.900 -0.649 0.000 1.240 1038 G CA -0.448 43.907 45.100 -1.241 0.000 1.002 1038 G HN 0.383 nan 8.290 nan 0.000 0.493 1039 L N 0.216 121.363 121.223 -0.125 0.000 2.528 1039 L HA 0.556 4.896 4.340 -0.000 0.000 0.267 1039 L C -0.782 176.215 176.870 0.211 0.000 0.961 1039 L CA -0.582 54.290 54.840 0.053 0.000 0.866 1039 L CB 1.848 43.858 42.059 -0.081 0.000 1.248 1039 L HN 0.322 nan 8.230 nan 0.000 0.404 1040 V N 3.638 123.711 119.914 0.266 0.000 2.539 1040 V HA 0.805 4.924 4.120 -0.000 0.000 0.292 1040 V C 0.096 176.257 176.094 0.111 0.000 1.045 1040 V CA -0.222 62.183 62.300 0.174 0.000 0.945 1040 V CB 1.767 33.659 31.823 0.115 0.000 0.993 1040 V HN 0.881 nan 8.190 nan 0.000 0.464 1041 T N 2.086 116.719 114.554 0.132 0.000 2.903 1041 T HA 0.442 4.792 4.350 -0.000 0.000 0.299 1041 T C -0.433 174.308 174.700 0.068 0.000 1.093 1041 T CA -0.588 61.577 62.100 0.108 0.000 1.002 1041 T CB 1.838 70.815 68.868 0.182 0.000 1.127 1041 T HN 0.562 nan 8.240 nan 0.000 0.488 1042 S N 1.401 117.107 115.700 0.011 0.000 2.616 1042 S HA 0.704 5.173 4.470 -0.000 0.000 0.277 1042 S C -0.436 174.173 174.600 0.015 0.000 1.234 1042 S CA -0.765 57.427 58.200 -0.013 0.000 1.028 1042 S CB 0.483 63.649 63.200 -0.056 0.000 0.988 1042 S HN 0.429 nan 8.310 nan 0.000 0.522 1043 L N 1.625 122.888 121.223 0.067 0.000 2.319 1043 L HA 0.545 4.885 4.340 -0.000 0.000 0.267 1043 L C 0.283 177.222 176.870 0.115 0.000 1.011 1043 L CA -0.720 54.178 54.840 0.097 0.000 0.818 1043 L CB 2.068 44.257 42.059 0.216 0.000 1.316 1043 L HN 0.747 nan 8.230 nan 0.000 0.432 1044 S N -0.280 115.434 115.700 0.024 0.000 2.562 1044 S HA 0.104 4.574 4.470 -0.000 0.000 0.275 1044 S C 0.957 175.573 174.600 0.025 0.000 1.281 1044 S CA -0.549 57.660 58.200 0.014 0.000 1.045 1044 S CB 1.382 64.506 63.200 -0.126 0.000 0.962 1044 S HN 0.751 nan 8.310 nan 0.000 0.503 1045 E N 3.244 123.438 120.200 -0.010 0.000 2.086 1045 E HA -0.317 4.033 4.350 -0.000 0.000 0.205 1045 E C 1.786 178.237 176.600 -0.249 0.000 1.027 1045 E CA 2.433 58.665 56.400 -0.280 0.000 0.830 1045 E CB -1.301 28.371 29.700 -0.046 0.000 0.751 1045 E HN 0.819 nan 8.360 nan 0.000 0.456 1046 S N -0.426 115.262 115.700 -0.020 0.000 2.368 1046 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 1046 S C 1.883 176.545 174.600 0.103 0.000 1.029 1046 S CA 0.893 59.122 58.200 0.048 0.000 0.988 1046 S CB -0.960 62.311 63.200 0.118 0.000 0.838 1046 S HN 0.410 nan 8.310 nan 0.000 0.462 1047 W N 1.230 122.468 121.300 -0.103 0.000 2.374 1047 W HA 0.069 4.729 4.660 -0.000 0.000 0.288 1047 W C 2.317 178.785 176.519 -0.085 0.000 1.218 1047 W CA 0.361 57.649 57.345 -0.094 0.000 1.245 1047 W CB -1.004 28.400 29.460 -0.093 0.000 1.126 1047 W HN 0.489 nan 8.180 nan 0.000 0.545 1048 Y N 1.386 121.660 120.300 -0.043 0.000 2.092 1048 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 1048 Y C 2.376 178.201 175.900 -0.125 0.000 1.126 1048 Y CA 2.261 60.287 58.100 -0.123 0.000 1.111 1048 Y CB -0.854 37.389 38.460 -0.362 0.000 0.987 1048 Y HN -0.212 nan 8.280 nan 0.000 0.489 1049 N N 0.886 119.665 118.700 0.133 0.000 2.192 1049 N HA -0.239 4.501 4.740 -0.000 0.000 0.188 1049 N C 1.938 177.416 175.510 -0.054 0.000 1.013 1049 N CA 1.605 54.706 53.050 0.084 0.000 0.863 1049 N CB -0.446 38.065 38.487 0.040 0.000 0.990 1049 N HN 0.503 nan 8.380 nan 0.000 0.430 1050 L N 0.750 121.908 121.223 -0.109 0.000 2.023 1050 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 1050 L C 2.175 178.925 176.870 -0.200 0.000 1.073 1050 L CA 0.924 55.660 54.840 -0.173 0.000 0.745 1050 L CB -0.228 41.671 42.059 -0.267 0.000 0.900 1050 L HN 0.058 nan 8.230 nan 0.000 0.435 1051 L N -0.402 120.683 121.223 -0.229 0.000 2.017 1051 L HA -0.252 4.087 4.340 -0.000 0.000 0.208 1051 L C 2.578 179.323 176.870 -0.208 0.000 1.073 1051 L CA 1.358 56.069 54.840 -0.214 0.000 0.745 1051 L CB -0.550 41.409 42.059 -0.166 0.000 0.894 1051 L HN 0.382 nan 8.230 nan 0.000 0.432 1052 L N -0.041 120.981 121.223 -0.335 0.000 2.043 1052 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 1052 L C 2.029 178.827 176.870 -0.120 0.000 1.075 1052 L CA 2.184 56.850 54.840 -0.289 0.000 0.752 1052 L CB -0.300 41.492 42.059 -0.446 0.000 0.891 1052 L HN 0.285 nan 8.230 nan 0.000 0.432 1053 D N -0.210 120.127 120.400 -0.106 0.000 2.085 1053 D HA -0.283 4.356 4.640 -0.000 0.000 0.199 1053 D C 2.293 178.559 176.300 -0.057 0.000 0.981 1053 D CA 1.995 55.961 54.000 -0.056 0.000 0.834 1053 D CB -0.210 40.559 40.800 -0.051 0.000 0.992 1053 D HN 0.514 nan 8.370 nan 0.000 0.457 1054 M N -0.337 119.208 119.600 -0.092 0.000 2.435 1054 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 1054 M C 1.943 178.212 176.300 -0.051 0.000 1.065 1054 M CA 1.403 56.651 55.300 -0.088 0.000 1.076 1054 M CB -0.225 32.273 32.600 -0.171 0.000 1.403 1054 M HN 0.065 nan 8.290 nan 0.000 0.454 1055 Q N 0.816 120.582 119.800 -0.055 0.000 2.083 1055 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 1055 Q C 1.465 177.450 176.000 -0.026 0.000 0.969 1055 Q CA 1.847 57.628 55.803 -0.038 0.000 0.838 1055 Q CB -0.025 28.694 28.738 -0.031 0.000 0.900 1055 Q HN 0.807 nan 8.270 nan 0.000 0.436 1056 N N -0.367 118.330 118.700 -0.005 0.000 2.188 1056 N HA -0.117 4.622 4.740 -0.000 0.000 0.184 1056 N C 1.749 177.275 175.510 0.026 0.000 1.018 1056 N CA 0.851 53.914 53.050 0.022 0.000 0.858 1056 N CB 0.136 38.641 38.487 0.030 0.000 0.989 1056 N HN 0.133 nan 8.380 nan 0.000 0.426 1057 R N 0.684 121.197 120.500 0.020 0.000 2.073 1057 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 1057 R C 2.122 178.451 176.300 0.048 0.000 1.134 1057 R CA 0.826 56.947 56.100 0.035 0.000 0.952 1057 R CB -0.940 29.383 30.300 0.037 0.000 0.850 1057 R HN 0.306 nan 8.270 nan 0.000 0.433 1058 L N 1.545 122.799 121.223 0.051 0.000 2.127 1058 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 1058 L C 2.056 178.952 176.870 0.045 0.000 1.089 1058 L CA 1.085 55.963 54.840 0.064 0.000 0.757 1058 L CB -0.475 41.625 42.059 0.069 0.000 0.899 1058 L HN 0.221 nan 8.230 nan 0.000 0.434 1059 N N 0.174 118.890 118.700 0.027 0.000 2.120 1059 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 1059 N C 1.737 177.290 175.510 0.071 0.000 1.024 1059 N CA 1.265 54.348 53.050 0.055 0.000 0.852 1059 N CB -0.142 38.384 38.487 0.064 0.000 1.003 1059 N HN 0.394 nan 8.380 nan 0.000 0.424 1060 K N 0.421 120.855 120.400 0.057 0.000 2.148 1060 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 1060 K C 1.890 178.514 176.600 0.041 0.000 1.050 1060 K CA 0.617 56.934 56.287 0.049 0.000 0.942 1060 K CB 0.226 32.751 32.500 0.043 0.000 0.724 1060 K HN -0.011 nan 8.250 nan 0.000 0.446 1061 V N 1.003 120.941 119.914 0.040 0.000 2.685 1061 V HA 0.027 4.147 4.120 -0.000 0.000 0.244 1061 V C 0.956 177.063 176.094 0.021 0.000 1.054 1061 V CA 0.468 62.783 62.300 0.026 0.000 1.076 1061 V CB 0.049 31.887 31.823 0.026 0.000 0.725 1061 V HN 0.134 nan 8.190 nan 0.000 0.467 1062 I N 3.079 123.672 120.570 0.038 0.000 2.396 1062 I HA 0.166 4.336 4.170 -0.000 0.000 0.289 1062 I C 0.318 176.461 176.117 0.042 0.000 1.056 1062 I CA -0.316 61.007 61.300 0.037 0.000 1.365 1062 I CB 0.743 38.781 38.000 0.064 0.000 1.407 1062 I HN 0.164 nan 8.210 nan 0.000 0.509 1063 K N 5.681 126.086 120.400 0.008 0.000 2.292 1063 K HA 0.221 4.541 4.320 -0.000 0.000 0.290 1063 K C -0.132 176.449 176.600 -0.033 0.000 1.083 1063 K CA -0.191 56.091 56.287 -0.008 0.000 0.918 1063 K CB 0.971 33.453 32.500 -0.029 0.000 1.089 1063 K HN 0.478 nan 8.250 nan 0.000 0.473 1064 S N 2.561 118.256 115.700 -0.009 0.000 2.568 1064 S HA 0.041 4.511 4.470 -0.000 0.000 0.282 1064 S C 1.373 175.887 174.600 -0.144 0.000 1.338 1064 S CA -0.642 57.512 58.200 -0.076 0.000 1.045 1064 S CB 0.484 63.731 63.200 0.078 0.000 0.873 1064 S HN 0.372 nan 8.310 nan 0.000 0.516 1065 V N 4.745 124.519 119.914 -0.233 0.000 2.229 1065 V HA 0.014 4.134 4.120 -0.000 0.000 0.243 1065 V C 2.395 178.400 176.094 -0.149 0.000 1.042 1065 V CA 2.110 64.299 62.300 -0.185 0.000 1.000 1065 V CB -1.305 30.388 31.823 -0.215 0.000 0.637 1065 V HN 1.004 nan 8.190 nan 0.000 0.446 1066 G N -0.813 107.892 108.800 -0.158 0.000 3.155 1066 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.213 1066 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.213 1066 G C 0.594 175.397 174.900 -0.163 0.000 1.196 1066 G CA -0.156 44.870 45.100 -0.123 0.000 0.846 1066 G HN 0.400 nan 8.290 nan 0.000 0.516 1067 K N -0.441 119.842 120.400 -0.194 0.000 3.244 1067 K HA -0.162 4.158 4.320 -0.000 0.000 0.270 1067 K C -0.242 176.293 176.600 -0.109 0.000 1.016 1067 K CA 0.617 56.754 56.287 -0.250 0.000 0.754 1067 K CB -1.663 30.431 32.500 -0.677 0.000 1.326 1067 K HN 0.452 nan 8.250 nan 0.000 0.465 1068 I N 0.973 121.552 120.570 0.015 0.000 2.339 1068 I HA 0.110 4.279 4.170 -0.000 0.000 0.290 1068 I C 0.820 177.098 176.117 0.269 0.000 0.994 1068 I CA -0.891 60.481 61.300 0.120 0.000 1.191 1068 I CB 1.494 39.583 38.000 0.147 0.000 1.343 1068 I HN 0.084 nan 8.210 nan 0.000 0.458 1069 E N 4.214 124.527 120.200 0.189 0.000 2.694 1069 E HA -0.198 4.152 4.350 -0.000 0.000 0.250 1069 E C 1.017 177.780 176.600 0.272 0.000 0.963 1069 E CA 0.614 57.151 56.400 0.229 0.000 0.949 1069 E CB 0.359 30.168 29.700 0.183 0.000 0.911 1069 E HN 0.544 nan 8.360 nan 0.000 0.500 1070 H N 2.602 121.708 119.070 0.059 0.000 2.395 1070 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 1070 H C 1.812 177.120 175.328 -0.033 0.000 1.070 1070 H CA 1.939 57.825 56.048 -0.270 0.000 1.356 1070 H CB 0.195 29.738 29.762 -0.366 0.000 1.401 1070 H HN 0.535 nan 8.280 nan 0.000 0.524 1071 S N -0.541 115.247 115.700 0.147 0.000 2.402 1071 S HA -0.188 4.282 4.470 -0.000 0.000 0.229 1071 S C 2.095 176.735 174.600 0.066 0.000 1.021 1071 S CA 0.882 59.147 58.200 0.109 0.000 0.974 1071 S CB -0.864 62.444 63.200 0.181 0.000 0.800 1071 S HN 0.511 nan 8.310 nan 0.000 0.484 1072 F N 2.136 122.092 119.950 0.009 0.000 2.113 1072 F HA 0.024 4.551 4.527 -0.000 0.000 0.297 1072 F C 2.330 178.124 175.800 -0.011 0.000 1.103 1072 F CA 1.409 59.423 58.000 0.023 0.000 1.248 1072 F CB -0.498 38.547 39.000 0.075 0.000 0.999 1072 F HN 0.376 nan 8.300 nan 0.000 0.475 1073 W N 1.712 122.991 121.300 -0.034 0.000 2.321 1073 W HA -0.219 4.440 4.660 -0.000 0.000 0.306 1073 W C 1.384 177.681 176.519 -0.370 0.000 1.217 1073 W CA 1.069 58.294 57.345 -0.200 0.000 1.257 1073 W CB -0.261 29.102 29.460 -0.162 0.000 1.145 1073 W HN -0.084 nan 8.180 nan 0.000 0.509 1074 R N 1.143 121.241 120.500 -0.671 0.000 2.313 1074 R HA 0.092 4.431 4.340 -0.000 0.000 0.199 1074 R C 0.546 176.523 176.300 -0.540 0.000 0.958 1074 R CA 0.250 55.839 56.100 -0.852 0.000 1.047 1074 R CB -0.582 29.325 30.300 -0.655 0.000 0.955 1074 R HN -0.062 nan 8.270 nan 0.000 0.481 1075 S N 1.023 116.475 115.700 -0.412 0.000 2.564 1075 S HA 0.117 4.587 4.470 -0.000 0.000 0.278 1075 S C -0.171 174.315 174.600 -0.191 0.000 1.333 1075 S CA -0.546 57.514 58.200 -0.232 0.000 1.048 1075 S CB 0.517 63.571 63.200 -0.243 0.000 0.900 1075 S HN 0.159 nan 8.310 nan 0.000 0.505 1076 F N 3.132 122.992 119.950 -0.150 0.000 2.578 1076 F HA 0.175 4.702 4.527 -0.000 0.000 0.376 1076 F C 0.387 176.150 175.800 -0.062 0.000 1.085 1076 F CA 0.458 58.412 58.000 -0.078 0.000 1.260 1076 F CB 0.243 39.227 39.000 -0.028 0.000 1.095 1076 F HN 0.667 nan 8.300 nan 0.000 0.573 1077 H N 3.735 122.398 119.070 -0.677 0.000 3.239 1077 H HA 0.307 4.863 4.556 -0.000 0.000 0.320 1077 H C -0.644 174.426 175.328 -0.430 0.000 1.074 1077 H CA -0.369 55.413 56.048 -0.443 0.000 1.553 1077 H CB 0.715 30.211 29.762 -0.443 0.000 1.752 1077 H HN 0.738 nan 8.280 nan 0.000 0.513 1078 T N 0.265 114.584 114.554 -0.391 0.000 2.922 1078 T HA 0.173 4.523 4.350 -0.000 0.000 0.281 1078 T C 1.217 175.758 174.700 -0.265 0.000 1.005 1078 T CA -0.474 61.488 62.100 -0.231 0.000 0.982 1078 T CB 1.796 70.580 68.868 -0.139 0.000 1.158 1078 T HN 0.629 nan 8.240 nan 0.000 0.566 1079 E N 0.572 120.697 120.200 -0.125 0.000 2.077 1079 E HA -0.146 4.203 4.350 -0.000 0.000 0.193 1079 E C 1.547 178.081 176.600 -0.109 0.000 0.989 1079 E CA 1.246 57.594 56.400 -0.086 0.000 0.800 1079 E CB -0.083 29.595 29.700 -0.037 0.000 0.746 1079 E HN 0.698 nan 8.360 nan 0.000 0.452 1080 R N 0.528 120.977 120.500 -0.085 0.000 3.585 1080 R HA 0.278 4.618 4.340 -0.000 0.000 0.324 1080 R C -0.721 175.551 176.300 -0.048 0.000 1.372 1080 R CA -0.338 55.731 56.100 -0.052 0.000 1.291 1080 R CB -0.266 30.025 30.300 -0.015 0.000 1.470 1080 R HN 0.037 nan 8.270 nan 0.000 0.633 1081 K N -1.088 119.251 120.400 -0.101 0.000 4.082 1081 K HA 0.087 4.407 4.320 -0.000 0.000 0.511 1081 K C -1.913 174.615 176.600 -0.119 0.000 1.119 1081 K CA -0.851 55.398 56.287 -0.064 0.000 0.940 1081 K CB 0.382 32.893 32.500 0.018 0.000 1.402 1081 K HN 0.046 nan 8.250 nan 0.000 0.569 1082 T N 1.287 115.816 114.554 -0.042 0.000 3.172 1082 T HA 0.400 4.750 4.350 -0.000 0.000 0.320 1082 T C -1.811 172.920 174.700 0.051 0.000 1.085 1082 T CA -0.805 61.281 62.100 -0.022 0.000 1.052 1082 T CB 1.481 70.299 68.868 -0.083 0.000 1.107 1082 T HN 0.482 nan 8.240 nan 0.000 0.458 1083 E N 3.063 123.332 120.200 0.115 0.000 2.288 1083 E HA 0.490 4.840 4.350 -0.000 0.000 0.268 1083 E C -2.683 173.969 176.600 0.086 0.000 0.885 1083 E CA -2.425 54.026 56.400 0.085 0.000 0.767 1083 E CB 2.094 31.827 29.700 0.055 0.000 1.220 1083 E HN 0.288 nan 8.360 nan 0.000 0.427 1084 P HA 0.176 nan 4.420 nan 0.000 0.275 1084 P C -0.783 176.586 177.300 0.115 0.000 1.228 1084 P CA -0.345 62.802 63.100 0.078 0.000 0.786 1084 P CB 0.697 32.448 31.700 0.085 0.000 0.927 1085 A N 2.792 125.699 122.820 0.144 0.000 2.409 1085 A HA 0.523 4.843 4.320 -0.000 0.000 0.262 1085 A C 0.708 178.460 177.584 0.279 0.000 1.113 1085 A CA 0.036 52.217 52.037 0.241 0.000 0.790 1085 A CB -0.478 18.714 19.000 0.321 0.000 1.046 1085 A HN 0.641 nan 8.150 nan 0.000 0.496 1086 T N -0.902 113.827 114.554 0.290 0.000 2.950 1086 T HA 0.621 4.971 4.350 -0.000 0.000 0.288 1086 T C 0.873 175.782 174.700 0.348 0.000 1.035 1086 T CA 0.049 62.322 62.100 0.288 0.000 1.028 1086 T CB 1.386 70.356 68.868 0.171 0.000 1.109 1086 T HN 2.309 nan 8.240 nan 0.000 0.514 1087 G N 0.245 109.249 108.800 0.339 0.000 2.258 1087 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.274 1087 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.274 1087 G C -0.216 174.686 174.900 0.002 0.000 1.021 1087 G CA 0.194 45.414 45.100 0.201 0.000 0.798 1087 G HN 0.782 nan 8.290 nan 0.000 0.507 1088 F N -0.830 119.253 119.950 0.222 0.000 2.653 1088 F HA 0.529 5.056 4.527 -0.000 0.000 0.327 1088 F C 0.079 175.802 175.800 -0.129 0.000 1.195 1088 F CA -0.961 56.972 58.000 -0.111 0.000 0.993 1088 F CB 1.597 40.324 39.000 -0.455 0.000 1.259 1088 F HN -0.031 nan 8.300 nan 0.000 0.478 1089 I N 4.423 125.035 120.570 0.070 0.000 2.390 1089 I HA 0.205 4.374 4.170 -0.000 0.000 0.283 1089 I C -0.946 175.182 176.117 0.018 0.000 1.016 1089 I CA -0.804 60.556 61.300 0.100 0.000 1.151 1089 I CB 1.167 39.267 38.000 0.166 0.000 1.293 1089 I HN 0.419 nan 8.210 nan 0.000 0.458 1090 D N 5.820 126.283 120.400 0.105 0.000 2.336 1090 D HA 0.067 4.707 4.640 -0.000 0.000 0.249 1090 D C 1.167 177.496 176.300 0.048 0.000 1.213 1090 D CA -0.554 53.484 54.000 0.063 0.000 0.870 1090 D CB 1.743 42.735 40.800 0.319 0.000 1.076 1090 D HN 0.654 nan 8.370 nan 0.000 0.483 1091 G N 2.841 111.504 108.800 -0.229 0.000 2.498 1091 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 1091 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 1091 G C 1.087 176.079 174.900 0.153 0.000 1.119 1091 G CA 0.180 45.328 45.100 0.080 0.000 0.766 1091 G HN 0.402 nan 8.290 nan 0.000 0.552 1092 D N 0.089 120.557 120.400 0.113 0.000 2.116 1092 D HA -0.132 4.507 4.640 -0.000 0.000 0.193 1092 D C 2.276 178.699 176.300 0.205 0.000 0.998 1092 D CA 0.451 54.556 54.000 0.176 0.000 0.836 1092 D CB -0.172 40.754 40.800 0.211 0.000 0.951 1092 D HN 0.200 nan 8.370 nan 0.000 0.449 1093 L N 0.426 121.781 121.223 0.220 0.000 2.156 1093 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 1093 L C 1.858 178.817 176.870 0.149 0.000 1.095 1093 L CA 0.871 55.816 54.840 0.174 0.000 0.770 1093 L CB -0.255 41.852 42.059 0.080 0.000 0.914 1093 L HN 0.042 nan 8.230 nan 0.000 0.439 1094 I N 0.285 120.956 120.570 0.169 0.000 2.252 1094 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 1094 I C 2.244 178.480 176.117 0.197 0.000 1.102 1094 I CA 1.119 62.519 61.300 0.167 0.000 1.385 1094 I CB -1.065 37.064 38.000 0.216 0.000 1.064 1094 I HN 0.307 nan 8.210 nan 0.000 0.414 1095 E N 0.386 120.713 120.200 0.212 0.000 2.401 1095 E HA -0.175 4.174 4.350 -0.000 0.000 0.199 1095 E C 2.162 178.871 176.600 0.183 0.000 1.023 1095 E CA 0.876 57.396 56.400 0.200 0.000 0.859 1095 E CB -0.057 29.759 29.700 0.193 0.000 0.780 1095 E HN 0.269 nan 8.360 nan 0.000 0.523 1096 S N -0.181 115.627 115.700 0.181 0.000 2.453 1096 S HA -0.120 4.350 4.470 -0.000 0.000 0.231 1096 S C 1.468 176.159 174.600 0.150 0.000 1.005 1096 S CA 0.348 58.636 58.200 0.146 0.000 0.949 1096 S CB -0.179 63.105 63.200 0.140 0.000 0.774 1096 S HN 0.343 nan 8.310 nan 0.000 0.510 1097 F N 2.298 122.273 119.950 0.041 0.000 2.069 1097 F HA -0.025 4.502 4.527 -0.001 0.000 0.298 1097 F C 1.667 177.482 175.800 0.025 0.000 1.113 1097 F CA 1.614 59.629 58.000 0.025 0.000 1.214 1097 F CB -0.326 38.684 39.000 0.016 0.000 0.978 1097 F HN 0.159 nan 8.300 nan 0.000 0.474 1098 L N -0.214 121.126 121.223 0.195 0.000 2.549 1098 L HA -0.146 4.194 4.340 -0.000 0.000 0.230 1098 L C 0.132 177.000 176.870 -0.004 0.000 1.162 1098 L CA 0.848 55.742 54.840 0.091 0.000 0.834 1098 L CB -0.686 41.464 42.059 0.152 0.000 0.947 1098 L HN 0.103 nan 8.230 nan 0.000 0.452 1099 D N 0.031 120.420 120.400 -0.020 0.000 2.892 1099 D HA 0.387 5.026 4.640 -0.000 0.000 0.291 1099 D C 0.022 176.278 176.300 -0.074 0.000 1.341 1099 D CA 0.162 54.145 54.000 -0.029 0.000 0.844 1099 D CB 0.519 41.319 40.800 0.001 0.000 1.093 1099 D HN 0.092 nan 8.370 nan 0.000 0.480 1100 I N 0.509 120.987 120.570 -0.154 0.000 2.603 1100 I HA 0.199 4.369 4.170 -0.000 0.000 0.300 1100 I C 0.564 176.583 176.117 -0.164 0.000 1.017 1100 I CA -0.991 60.202 61.300 -0.180 0.000 1.098 1100 I CB 1.890 39.716 38.000 -0.290 0.000 1.279 1100 I HN -0.077 nan 8.210 nan 0.000 0.437 1101 S N 4.190 119.819 115.700 -0.118 0.000 2.562 1101 S HA 0.126 4.596 4.470 -0.000 0.000 0.281 1101 S C 0.987 175.520 174.600 -0.111 0.000 1.333 1101 S CA -0.434 57.710 58.200 -0.093 0.000 1.052 1101 S CB 1.189 64.350 63.200 -0.065 0.000 0.884 1101 S HN 0.736 nan 8.310 nan 0.000 0.506 1102 R N 2.676 123.124 120.500 -0.087 0.000 2.117 1102 R HA -0.045 4.295 4.340 -0.000 0.000 0.243 1102 R C -0.720 175.544 176.300 -0.060 0.000 1.143 1102 R CA 1.743 57.797 56.100 -0.077 0.000 0.968 1102 R CB -1.378 28.894 30.300 -0.047 0.000 0.863 1102 R HN 0.661 nan 8.270 nan 0.000 0.444 1103 P HA -0.186 nan 4.420 nan 0.000 0.215 1103 P C 0.192 177.470 177.300 -0.037 0.000 1.153 1103 P CA 1.657 64.736 63.100 -0.034 0.000 0.853 1103 P CB -0.031 31.651 31.700 -0.030 0.000 0.788 1104 K N -1.480 118.888 120.400 -0.054 0.000 2.487 1104 K HA 0.133 4.453 4.320 -0.000 0.000 0.192 1104 K C 2.121 178.677 176.600 -0.073 0.000 1.027 1104 K CA 0.180 56.436 56.287 -0.051 0.000 1.054 1104 K CB -0.183 32.285 32.500 -0.053 0.000 0.824 1104 K HN 0.148 nan 8.250 nan 0.000 0.510 1105 M N 0.337 119.870 119.600 -0.112 0.000 2.325 1105 M HA -0.108 4.372 4.480 -0.000 0.000 0.265 1105 M C 1.774 178.073 176.300 -0.002 0.000 1.094 1105 M CA 1.186 56.388 55.300 -0.165 0.000 1.161 1105 M CB 0.337 32.772 32.600 -0.275 0.000 1.358 1105 M HN 0.038 nan 8.290 nan 0.000 0.446 1106 Q N 0.509 120.310 119.800 0.001 0.000 2.181 1106 Q HA -0.213 4.127 4.340 -0.000 0.000 0.205 1106 Q C 1.625 177.648 176.000 0.039 0.000 0.980 1106 Q CA 1.570 57.391 55.803 0.030 0.000 0.862 1106 Q CB -0.352 28.393 28.738 0.012 0.000 0.905 1106 Q HN 0.671 nan 8.270 nan 0.000 0.429 1107 E N 0.139 120.356 120.200 0.028 0.000 2.058 1107 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 1107 E C 2.153 178.784 176.600 0.050 0.000 0.997 1107 E CA 1.318 57.736 56.400 0.030 0.000 0.801 1107 E CB -0.097 29.615 29.700 0.019 0.000 0.746 1107 E HN 0.111 nan 8.360 nan 0.000 0.450 1108 V N 1.357 121.323 119.914 0.086 0.000 2.380 1108 V HA -0.165 3.955 4.120 -0.000 0.000 0.251 1108 V C 1.176 177.317 176.094 0.078 0.000 1.063 1108 V CA 1.063 63.434 62.300 0.118 0.000 1.055 1108 V CB -0.280 31.707 31.823 0.273 0.000 0.657 1108 V HN 0.027 nan 8.190 nan 0.000 0.455 1109 V N 0.024 119.983 119.914 0.075 0.000 2.277 1109 V HA 0.652 4.772 4.120 -0.000 0.000 0.269 1109 V C 0.659 176.768 176.094 0.025 0.000 1.036 1109 V CA 0.543 62.866 62.300 0.039 0.000 0.821 1109 V CB 0.582 32.429 31.823 0.041 0.000 1.052 1109 V HN 0.281 nan 8.190 nan 0.000 0.462 1110 A N 4.363 127.192 122.820 0.015 0.000 2.211 1110 A HA 0.465 4.785 4.320 -0.000 0.000 0.208 1110 A C 0.642 178.228 177.584 0.004 0.000 1.250 1110 A CA 0.410 52.453 52.037 0.011 0.000 0.935 1110 A CB 0.277 19.284 19.000 0.012 0.000 0.982 1110 A HN 0.804 nan 8.150 nan 0.000 0.490 1123 E N 1.046 121.233 120.200 -0.022 0.000 2.447 1123 E HA 0.747 5.096 4.350 -0.000 0.000 0.279 1123 E C -1.936 174.643 176.600 -0.035 0.000 1.053 1123 E CA -0.919 55.467 56.400 -0.023 0.000 0.840 1123 E CB 2.672 32.361 29.700 -0.019 0.000 1.409 1123 E HN 0.795 nan 8.360 nan 0.000 0.461 1124 A N 0.817 123.619 122.820 -0.031 0.000 2.459 1124 A HA 0.607 4.927 4.320 -0.000 0.000 0.296 1124 A C -0.443 177.126 177.584 -0.024 0.000 1.039 1124 A CA -0.364 51.650 52.037 -0.038 0.000 0.698 1124 A CB 1.830 20.810 19.000 -0.034 0.000 1.261 1124 A HN 0.522 nan 8.150 nan 0.000 0.405 1125 T N 0.610 115.147 114.554 -0.027 0.000 2.947 1125 T HA 0.747 5.097 4.350 -0.000 0.000 0.180 1125 T C 1.354 176.060 174.700 0.010 0.000 0.750 1125 T CA 1.321 63.416 62.100 -0.009 0.000 1.687 1125 T CB 0.141 69.002 68.868 -0.012 0.000 2.488 1125 T HN 1.951 nan 8.240 nan 0.000 0.417 1126 A N 1.227 124.062 122.820 0.025 0.000 3.538 1126 A HA 0.131 4.451 4.320 -0.000 0.000 0.158 1126 A C -0.410 177.234 177.584 0.099 0.000 1.305 1126 A CA 0.625 52.701 52.037 0.064 0.000 1.242 1126 A CB -0.831 18.199 19.000 0.049 0.000 0.928 1126 A HN 0.555 nan 8.150 nan 0.000 0.434 1127 D N 0.583 121.025 120.400 0.071 0.000 2.460 1127 D HA 0.366 5.006 4.640 -0.000 0.000 0.229 1127 D C 0.271 176.605 176.300 0.056 0.000 1.170 1127 D CA 0.777 54.825 54.000 0.081 0.000 0.827 1127 D CB 0.622 41.462 40.800 0.067 0.000 0.973 1127 D HN 0.378 nan 8.370 nan 0.000 0.496 1128 D N -0.473 119.943 120.400 0.027 0.000 2.422 1128 D HA 0.037 4.677 4.640 -0.000 0.000 0.218 1128 D C 1.742 178.011 176.300 -0.052 0.000 1.047 1128 D CA 0.062 54.057 54.000 -0.009 0.000 0.885 1128 D CB 0.342 41.126 40.800 -0.025 0.000 1.035 1128 D HN -0.037 nan 8.370 nan 0.000 0.502 1129 L N 0.955 122.126 121.223 -0.087 0.000 2.093 1129 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 1129 L C 2.387 179.164 176.870 -0.155 0.000 1.085 1129 L CA 0.908 55.608 54.840 -0.234 0.000 0.755 1129 L CB -0.857 40.942 42.059 -0.433 0.000 0.904 1129 L HN 0.245 nan 8.230 nan 0.000 0.435 1130 I N 0.090 120.725 120.570 0.108 0.000 2.479 1130 I HA -0.372 3.798 4.170 -0.000 0.000 0.258 1130 I C 2.522 178.701 176.117 0.104 0.000 1.165 1130 I CA 1.443 62.895 61.300 0.255 0.000 1.422 1130 I CB 0.071 38.220 38.000 0.249 0.000 1.087 1130 I HN 0.260 nan 8.210 nan 0.000 0.441 1131 K N -0.542 119.877 120.400 0.031 0.000 2.276 1131 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 1131 K C 1.837 178.431 176.600 -0.010 0.000 1.052 1131 K CA 0.494 56.790 56.287 0.016 0.000 0.984 1131 K CB 0.388 32.894 32.500 0.011 0.000 0.836 1131 K HN 0.152 nan 8.250 nan 0.000 0.490 1132 V N 0.992 120.860 119.914 -0.075 0.000 2.358 1132 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 1132 V C 2.064 178.102 176.094 -0.095 0.000 1.047 1132 V CA 1.390 63.612 62.300 -0.130 0.000 1.035 1132 V CB -0.072 31.560 31.823 -0.318 0.000 0.658 1132 V HN 0.104 nan 8.190 nan 0.000 0.452 1133 V N -0.220 119.638 119.914 -0.093 0.000 2.970 1133 V HA -0.167 3.953 4.120 -0.000 0.000 0.260 1133 V C 2.243 178.369 176.094 0.054 0.000 1.100 1133 V CA 1.322 63.614 62.300 -0.013 0.000 1.122 1133 V CB -0.771 31.064 31.823 0.020 0.000 0.721 1133 V HN 0.607 nan 8.190 nan 0.000 0.483 1134 E N 0.375 120.602 120.200 0.046 0.000 2.016 1134 E HA -0.183 4.167 4.350 -0.000 0.000 0.190 1134 E C 2.142 178.769 176.600 0.044 0.000 0.985 1134 E CA 1.033 57.463 56.400 0.050 0.000 0.802 1134 E CB -0.132 29.593 29.700 0.042 0.000 0.762 1134 E HN 0.593 nan 8.360 nan 0.000 0.448 1135 E N 0.353 120.584 120.200 0.051 0.000 2.455 1135 E HA -0.157 4.193 4.350 -0.000 0.000 0.202 1135 E C 1.797 178.445 176.600 0.081 0.000 1.045 1135 E CA 0.327 56.769 56.400 0.069 0.000 0.872 1135 E CB 0.120 29.886 29.700 0.111 0.000 0.792 1135 E HN 0.268 nan 8.360 nan 0.000 0.542 1136 L N -0.415 120.857 121.223 0.081 0.000 2.221 1136 L HA -0.036 4.304 4.340 -0.000 0.000 0.202 1136 L C 2.267 179.209 176.870 0.121 0.000 1.074 1136 L CA 1.064 55.962 54.840 0.097 0.000 0.795 1136 L CB -0.185 41.924 42.059 0.084 0.000 0.960 1136 L HN 0.105 nan 8.230 nan 0.000 0.458 1137 T N -2.256 112.345 114.554 0.079 0.000 3.427 1137 T HA -0.044 4.306 4.350 -0.000 0.000 0.256 1137 T C 1.164 175.789 174.700 -0.126 0.000 1.172 1137 T CA 0.399 62.492 62.100 -0.011 0.000 1.018 1137 T CB -0.424 68.453 68.868 0.015 0.000 0.981 1137 T HN 0.239 nan 8.240 nan 0.000 0.555 1138 R N -0.070 120.394 120.500 -0.060 0.000 2.659 1138 R HA 0.445 4.784 4.340 -0.000 0.000 0.418 1138 R C 0.756 177.045 176.300 -0.018 0.000 1.076 1138 R CA -0.134 55.925 56.100 -0.068 0.000 1.093 1138 R CB 0.268 30.549 30.300 -0.032 0.000 1.400 1138 R HN 0.455 nan 8.270 nan 0.000 0.583 1139 I N 0.455 121.050 120.570 0.041 0.000 3.728 1139 I HA 0.050 4.220 4.170 -0.000 0.000 0.307 1139 I C 0.702 176.956 176.117 0.228 0.000 1.276 1139 I CA 0.362 61.758 61.300 0.160 0.000 1.285 1139 I CB -0.165 37.993 38.000 0.263 0.000 1.038 1139 I HN 0.207 nan 8.210 nan 0.000 0.445 1140 H N 0.000 119.104 119.070 0.057 0.000 2.539 1140 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1140 H CA 0.000 56.070 56.048 0.037 0.000 1.023 1140 H CB 0.000 29.784 29.762 0.037 0.000 1.292 1140 H HN 0.000 nan 8.280 nan 0.000 0.496