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 3e0d_1_B DATA FIRST_RESID 5 DATA SEQUENCE LKFAHLHQHT QFSLLNGAAK LQDLLKWVKE TTPEDPALAM TDHGNLFGAV DATA SEQUENCE EFYKKATAMG VKPIIGYEAY VAAESRFDRK RXXXXXGGYF HLTLLAKDFT DATA SEQUENCE GYQNLVRLAS RAYLEGFYEK PRIDREILRE HAQGLIALSG CLGAEIPQFI DATA SEQUENCE LQDRLDLAEA RLNEDLSIFG DRFFIEIQNH GLPEQKKVNQ VLKEFARKYG DATA SEQUENCE LGMVATNNGH YVRKEDARAH EVLLAIQSKT TLDDPERWRF PCDEFYVKTP DATA SEQUENCE EEMRAMLPEA EWGDEPFDNT VEIARMCDVD LPIGDKMVYR IPRFPLXXGR DATA SEQUENCE TEAQYLRELT FLGLLRRYPD RITEAFYREV LRLLXXXXXX XDERALAEAL DATA SEQUENCE ARVEEKAWEE LRKRXXXXXX XXEWTAEAIL HRALYELSVI ERMGFPGYFL DATA SEQUENCE IVQDYINWAR GHGVSVGPGR GSAAGSLVAY AVGITNIDPL RFGLLFERFL DATA SEQUENCE NPERVSMPDI DTDFSDRERD RVIQYVRERY GEDKVAQIGT FGSLASKAAL DATA SEQUENCE KDVARVYGIP HKKAEELAKL IPVQFGKPKP LQEAFEAEPE LRAEMEKDER DATA SEQUENCE IRQVIEVAMR LEGLNRHASV HAAGVVIAAE PLTDLVPLMR DQEGRPVTQY DATA SEQUENCE DMGAVEALGL LKMDFLGLRT LTFLDEARRI VKESKGVELD YDRLPLDDPK DATA SEQUENCE TFELLSRGET KGVFQLESGG MTATVRGLKP RRLEDIIALV SLYRPGPMEH DATA SEQUENCE IPTYIRRHHG QEPVSYAEFP HAEKYLRPIL DETYGIPVYQ EQIMQIASQV DATA SEQUENCE AGYSLGEADL LRRAMGKKRV EEMQKHRERF VRGAKERGVP EEEANRLFDM DATA SEQUENCE LEAFANYGFN KSHAAAYSLL SYQTAYVKAH YPVEFMAALL SVERHDSDKV DATA SEQUENCE AEYIRDARAL GIPVLPPDVN RSGFDFKVVG EEILFGLSAV KNVGEMAARA DATA SEQUENCE ILEERERGGP FKSLGDFLKR LPEQVVNKRA LESLVKAGAL DAFGDRARLL DATA SEQUENCE ASLEPLLRWA AETRERGRSG LVGLFAEVEE PPLVEASPLD EITMLRYEKE DATA SEQUENCE ALGIYVSGHP VLRYPGLREV ASCTIEELSE FVRELPGKPK VLLSGMVEEV DATA SEQUENCE XXXXXXXXXX XXRFTLSDET GALEVVXXXX XXXXXXXXXK EDIPLLVLAE DATA SEQUENCE VEXXXXXRVL AQAVWTLEEV LEAPKALEVE VDHALLDEKG XARLKSLLDE DATA SEQUENCE HPGSLPVYLR VLGPFGEALF ALREVRVGEE ALGLLEAEGY RAYLVPDREV DATA SEQUENCE F 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.925 176.870 0.091 0.000 1.165 5 L CA 0.000 54.868 54.840 0.046 0.000 0.813 5 L CB 0.000 42.063 42.059 0.006 0.000 0.961 6 K N 3.392 123.870 120.400 0.131 0.000 2.316 6 K HA 0.863 5.177 4.320 -0.011 0.000 0.234 6 K C -1.419 175.335 176.600 0.257 0.000 1.054 6 K CA -0.946 55.425 56.287 0.140 0.000 0.879 6 K CB 2.504 35.042 32.500 0.063 0.000 1.252 6 K HN 0.301 nan 8.250 nan 0.000 0.471 7 F N -0.477 119.447 119.950 -0.043 0.000 2.672 7 F HA 0.472 4.992 4.527 -0.011 0.000 0.311 7 F C -2.088 173.602 175.800 -0.185 0.000 1.113 7 F CA -0.423 57.482 58.000 -0.159 0.000 0.996 7 F CB 1.990 40.837 39.000 -0.254 0.000 1.286 7 F HN 0.705 nan 8.300 nan 0.000 0.441 8 A N 3.640 125.865 122.820 -0.992 0.000 2.340 8 A HA 0.573 4.886 4.320 -0.011 0.000 0.297 8 A C -1.604 175.429 177.584 -0.919 0.000 1.195 8 A CA -0.571 51.062 52.037 -0.674 0.000 0.769 8 A CB 0.033 18.803 19.000 -0.384 0.000 1.163 8 A HN 0.851 nan 8.150 nan 0.000 0.472 9 H N 1.789 120.573 119.070 -0.475 0.000 3.046 9 H HA 0.201 4.750 4.556 -0.011 0.000 0.303 9 H C 0.771 175.970 175.328 -0.215 0.000 1.002 9 H CA 0.735 56.622 56.048 -0.268 0.000 1.460 9 H CB 0.550 30.303 29.762 -0.014 0.000 1.493 9 H HN 0.581 nan 8.280 nan 0.000 0.559 10 L N 2.221 123.373 121.223 -0.119 0.000 2.731 10 L HA 0.137 4.470 4.340 -0.011 0.000 0.240 10 L C 0.240 177.076 176.870 -0.058 0.000 1.120 10 L CA 0.145 54.912 54.840 -0.122 0.000 0.913 10 L CB 0.359 42.291 42.059 -0.211 0.000 1.213 10 L HN 0.659 nan 8.230 nan 0.000 0.515 11 H N 0.635 119.656 119.070 -0.081 0.000 2.675 11 H HA 0.367 4.916 4.556 -0.011 0.000 0.258 11 H C -0.839 174.446 175.328 -0.072 0.000 1.271 11 H CA -0.505 55.483 56.048 -0.100 0.000 1.462 11 H CB 0.783 30.525 29.762 -0.032 0.000 1.467 11 H HN -0.047 nan 8.280 nan 0.000 0.501 12 Q N 3.277 123.088 119.800 0.018 0.000 2.323 12 Q HA 0.264 4.597 4.340 -0.011 0.000 0.271 12 Q C -1.483 174.371 176.000 -0.245 0.000 1.048 12 Q CA -0.749 55.027 55.803 -0.045 0.000 0.792 12 Q CB 1.001 29.725 28.738 -0.023 0.000 1.280 12 Q HN 0.693 nan 8.270 nan 0.000 0.441 13 H N 1.564 120.521 119.070 -0.189 0.000 2.472 13 H HA 0.532 5.082 4.556 -0.010 0.000 0.335 13 H C -0.008 175.264 175.328 -0.094 0.000 1.136 13 H CA 0.081 55.991 56.048 -0.229 0.000 1.264 13 H CB 1.730 31.189 29.762 -0.505 0.000 1.486 13 H HN 0.836 nan 8.280 nan 0.000 0.517 14 T N -1.604 113.001 114.554 0.084 0.000 2.804 14 T HA 0.069 4.412 4.350 -0.011 0.000 0.272 14 T C 1.218 176.000 174.700 0.136 0.000 0.986 14 T CA -0.873 61.307 62.100 0.135 0.000 0.999 14 T CB 1.048 70.040 68.868 0.206 0.000 1.307 14 T HN 0.692 nan 8.240 nan 0.000 0.586 15 Q N -0.394 119.434 119.800 0.047 0.000 2.515 15 Q HA -0.010 4.323 4.340 -0.011 0.000 0.215 15 Q C 0.945 176.780 176.000 -0.275 0.000 0.983 15 Q CA 1.386 57.098 55.803 -0.152 0.000 0.905 15 Q CB -0.808 27.735 28.738 -0.325 0.000 0.961 15 Q HN 0.694 nan 8.270 nan 0.000 0.503 16 F N 0.787 120.794 119.950 0.094 0.000 2.754 16 F HA 0.181 4.702 4.527 -0.011 0.000 0.297 16 F C 0.672 176.610 175.800 0.231 0.000 1.122 16 F CA -0.259 57.828 58.000 0.146 0.000 1.400 16 F CB 0.677 39.757 39.000 0.133 0.000 1.117 16 F HN -0.146 nan 8.300 nan 0.000 0.587 17 S N 2.237 118.140 115.700 0.338 0.000 3.517 17 S HA 0.126 4.590 4.470 -0.011 0.000 0.284 17 S C 1.558 176.337 174.600 0.298 0.000 1.260 17 S CA -0.173 58.259 58.200 0.387 0.000 0.975 17 S CB -0.499 63.026 63.200 0.541 0.000 1.540 17 S HN 0.270 nan 8.310 nan 0.000 0.506 18 L N 1.648 123.023 121.223 0.253 0.000 2.189 18 L HA -0.177 4.157 4.340 -0.011 0.000 0.214 18 L C 1.886 178.827 176.870 0.117 0.000 1.097 18 L CA 1.305 56.201 54.840 0.094 0.000 0.764 18 L CB -0.625 41.387 42.059 -0.078 0.000 0.900 18 L HN 0.567 nan 8.230 nan 0.000 0.436 19 L N 0.124 121.481 121.223 0.222 0.000 2.168 19 L HA -0.040 4.293 4.340 -0.011 0.000 0.203 19 L C 1.840 178.855 176.870 0.242 0.000 1.078 19 L CA 0.992 55.999 54.840 0.278 0.000 0.780 19 L CB -0.244 42.030 42.059 0.358 0.000 0.939 19 L HN 0.505 nan 8.230 nan 0.000 0.451 20 N N -0.621 118.224 118.700 0.241 0.000 2.143 20 N HA 0.030 4.763 4.740 -0.011 0.000 0.222 20 N C 0.500 176.185 175.510 0.292 0.000 1.264 20 N CA 0.072 53.194 53.050 0.119 0.000 0.897 20 N CB 0.089 38.672 38.487 0.161 0.000 1.092 20 N HN -0.007 nan 8.380 nan 0.000 0.516 21 G N -0.206 108.772 108.800 0.296 0.000 2.355 21 G HA2 0.551 4.505 3.960 -0.011 0.000 0.276 21 G HA3 0.551 4.505 3.960 -0.011 0.000 0.276 21 G C 0.255 175.264 174.900 0.181 0.000 1.198 21 G CA -0.066 45.198 45.100 0.274 0.000 0.876 21 G HN 0.369 nan 8.290 nan 0.000 0.478 22 A N 1.953 124.903 122.820 0.216 0.000 2.508 22 A HA 0.690 5.003 4.320 -0.011 0.000 0.250 22 A C 1.349 179.002 177.584 0.115 0.000 1.208 22 A CA 0.655 52.786 52.037 0.157 0.000 0.960 22 A CB 0.298 19.438 19.000 0.232 0.000 1.099 22 A HN 1.320 nan 8.150 nan 0.000 0.542 23 A N 1.424 124.316 122.820 0.121 0.000 2.376 23 A HA 0.475 4.789 4.320 -0.011 0.000 0.298 23 A C 0.121 177.754 177.584 0.082 0.000 1.271 23 A CA -0.273 51.824 52.037 0.100 0.000 0.926 23 A CB -0.270 18.791 19.000 0.102 0.000 1.141 23 A HN 0.392 nan 8.150 nan 0.000 0.539 24 K N 2.139 122.575 120.400 0.060 0.000 2.382 24 K HA 0.106 4.419 4.320 -0.011 0.000 0.275 24 K C 0.614 177.277 176.600 0.106 0.000 1.009 24 K CA -0.507 55.812 56.287 0.053 0.000 0.970 24 K CB 0.742 33.259 32.500 0.028 0.000 0.934 24 K HN 0.568 nan 8.250 nan 0.000 0.479 25 L N 2.917 124.226 121.223 0.144 0.000 2.131 25 L HA -0.234 4.099 4.340 -0.011 0.000 0.210 25 L C 2.428 179.381 176.870 0.139 0.000 1.092 25 L CA 1.790 56.758 54.840 0.213 0.000 0.759 25 L CB -0.512 41.718 42.059 0.285 0.000 0.903 25 L HN 0.670 nan 8.230 nan 0.000 0.435 26 Q N 0.160 120.016 119.800 0.094 0.000 1.969 26 Q HA -0.186 4.148 4.340 -0.011 0.000 0.198 26 Q C 1.704 177.746 176.000 0.071 0.000 0.978 26 Q CA 2.162 58.002 55.803 0.062 0.000 0.830 26 Q CB -0.391 28.374 28.738 0.045 0.000 0.896 26 Q HN 0.651 nan 8.270 nan 0.000 0.431 27 D N -0.010 120.433 120.400 0.072 0.000 2.310 27 D HA -0.154 4.479 4.640 -0.011 0.000 0.212 27 D C 1.758 178.140 176.300 0.136 0.000 0.965 27 D CA 0.848 54.899 54.000 0.086 0.000 0.879 27 D CB -0.394 40.435 40.800 0.049 0.000 0.921 27 D HN 0.362 nan 8.370 nan 0.000 0.510 28 L N -0.023 121.282 121.223 0.136 0.000 2.027 28 L HA 0.037 4.370 4.340 -0.011 0.000 0.206 28 L C 2.002 178.987 176.870 0.192 0.000 1.074 28 L CA 1.472 56.421 54.840 0.181 0.000 0.745 28 L CB -0.427 41.734 42.059 0.171 0.000 0.898 28 L HN 0.107 nan 8.230 nan 0.000 0.433 29 L N -0.233 121.067 121.223 0.128 0.000 2.201 29 L HA -0.176 4.158 4.340 -0.011 0.000 0.212 29 L C 2.568 179.474 176.870 0.060 0.000 1.105 29 L CA 1.594 56.472 54.840 0.062 0.000 0.775 29 L CB -0.560 41.483 42.059 -0.027 0.000 0.913 29 L HN 0.429 nan 8.230 nan 0.000 0.440 30 K N -0.852 119.607 120.400 0.098 0.000 2.167 30 K HA -0.203 4.110 4.320 -0.011 0.000 0.203 30 K C 2.127 178.821 176.600 0.158 0.000 1.052 30 K CA 0.805 57.151 56.287 0.098 0.000 0.956 30 K CB -0.614 31.944 32.500 0.097 0.000 0.735 30 K HN 0.345 nan 8.250 nan 0.000 0.451 31 W N 1.791 123.106 121.300 0.024 0.000 2.402 31 W HA -0.130 4.523 4.660 -0.011 0.000 0.286 31 W C 1.333 177.879 176.519 0.045 0.000 1.221 31 W CA 0.994 58.361 57.345 0.037 0.000 1.257 31 W CB 0.214 29.702 29.460 0.046 0.000 1.120 31 W HN -0.056 nan 8.180 nan 0.000 0.551 32 V N 1.391 121.327 119.914 0.038 0.000 2.358 32 V HA -0.293 3.820 4.120 -0.011 0.000 0.246 32 V C 2.344 178.378 176.094 -0.101 0.000 1.047 32 V CA 2.329 64.600 62.300 -0.048 0.000 1.035 32 V CB -0.888 30.962 31.823 0.045 0.000 0.658 32 V HN -0.032 nan 8.190 nan 0.000 0.452 33 K N 0.807 121.170 120.400 -0.063 0.000 2.057 33 K HA -0.168 4.146 4.320 -0.011 0.000 0.206 33 K C 1.961 178.500 176.600 -0.101 0.000 1.050 33 K CA 1.720 57.966 56.287 -0.068 0.000 0.935 33 K CB -0.276 32.200 32.500 -0.041 0.000 0.715 33 K HN 0.539 nan 8.250 nan 0.000 0.439 34 E N -0.951 119.170 120.200 -0.131 0.000 2.208 34 E HA -0.070 4.274 4.350 -0.011 0.000 0.193 34 E C 1.576 178.014 176.600 -0.269 0.000 0.988 34 E CA 1.371 57.675 56.400 -0.160 0.000 0.828 34 E CB 0.153 29.792 29.700 -0.102 0.000 0.763 34 E HN 0.347 nan 8.360 nan 0.000 0.478 35 T N 0.093 114.400 114.554 -0.412 0.000 2.735 35 T HA -0.033 4.310 4.350 -0.011 0.000 0.256 35 T C 0.943 175.529 174.700 -0.189 0.000 1.042 35 T CA 1.030 62.894 62.100 -0.394 0.000 1.147 35 T CB 0.029 68.580 68.868 -0.530 0.000 0.865 35 T HN 0.027 nan 8.240 nan 0.000 0.421 36 T N 2.901 117.371 114.554 -0.141 0.000 2.947 36 T HA 0.343 4.687 4.350 -0.011 0.000 0.337 36 T C -2.158 172.500 174.700 -0.071 0.000 1.139 36 T CA -1.253 60.801 62.100 -0.077 0.000 0.992 36 T CB 1.690 70.531 68.868 -0.045 0.000 1.043 36 T HN 0.070 nan 8.240 nan 0.000 0.498 37 P HA 0.001 nan 4.420 nan 0.000 0.221 37 P C 0.447 177.720 177.300 -0.044 0.000 1.150 37 P CA 0.536 63.604 63.100 -0.053 0.000 0.800 37 P CB 0.263 31.936 31.700 -0.046 0.000 0.787 38 E N 1.205 121.382 120.200 -0.039 0.000 2.180 38 E HA 0.031 4.375 4.350 -0.011 0.000 0.283 38 E C -0.136 176.441 176.600 -0.038 0.000 1.061 38 E CA -0.136 56.244 56.400 -0.033 0.000 0.861 38 E CB -0.924 28.761 29.700 -0.025 0.000 1.056 38 E HN 0.035 nan 8.360 nan 0.000 0.407 39 D N 4.366 124.742 120.400 -0.040 0.000 2.720 39 D HA -0.158 4.475 4.640 -0.011 0.000 0.229 39 D C -2.042 174.227 176.300 -0.052 0.000 1.198 39 D CA 0.365 54.338 54.000 -0.045 0.000 0.639 39 D CB -0.709 40.067 40.800 -0.040 0.000 1.003 39 D HN 0.410 nan 8.370 nan 0.000 0.411 40 P HA 0.365 nan 4.420 nan 0.000 0.271 40 P C -0.803 176.463 177.300 -0.058 0.000 1.216 40 P CA -0.151 62.915 63.100 -0.056 0.000 0.776 40 P CB 1.456 33.122 31.700 -0.057 0.000 0.881 41 A N 2.878 125.665 122.820 -0.054 0.000 2.475 41 A HA 0.752 5.066 4.320 -0.011 0.000 0.301 41 A C -1.639 175.940 177.584 -0.008 0.000 1.059 41 A CA -0.657 51.354 52.037 -0.044 0.000 0.710 41 A CB 1.432 20.392 19.000 -0.067 0.000 1.288 41 A HN 0.520 nan 8.150 nan 0.000 0.408 42 L N 1.031 122.287 121.223 0.055 0.000 2.482 42 L HA 0.799 5.132 4.340 -0.011 0.000 0.263 42 L C -0.331 176.665 176.870 0.209 0.000 0.957 42 L CA -0.043 54.881 54.840 0.141 0.000 0.836 42 L CB 1.884 44.080 42.059 0.229 0.000 1.324 42 L HN 1.177 nan 8.230 nan 0.000 0.406 43 A N 5.638 128.504 122.820 0.076 0.000 2.292 43 A HA 0.632 4.945 4.320 -0.011 0.000 0.319 43 A C -0.367 177.095 177.584 -0.203 0.000 1.206 43 A CA -0.497 51.523 52.037 -0.028 0.000 0.835 43 A CB 0.687 19.632 19.000 -0.091 0.000 1.164 43 A HN 0.831 nan 8.150 nan 0.000 0.505 44 M N 4.387 123.698 119.600 -0.483 0.000 2.201 44 M HA 0.243 4.717 4.480 -0.011 0.000 0.345 44 M C -0.146 175.891 176.300 -0.438 0.000 1.352 44 M CA 0.092 54.964 55.300 -0.713 0.000 1.218 44 M CB 0.052 31.848 32.600 -1.340 0.000 1.512 44 M HN 0.718 nan 8.290 nan 0.000 0.447 45 T N 0.774 115.060 114.554 -0.447 0.000 3.154 45 T HA 0.409 4.753 4.350 -0.011 0.000 0.381 45 T C -0.531 173.749 174.700 -0.701 0.000 1.368 45 T CA -0.951 60.842 62.100 -0.513 0.000 1.155 45 T CB 0.441 68.951 68.868 -0.598 0.000 1.120 45 T HN 0.487 nan 8.240 nan 0.000 0.570 46 D N 1.610 121.737 120.400 -0.454 0.000 2.294 46 D HA 0.168 4.801 4.640 -0.011 0.000 0.250 46 D C 0.363 176.456 176.300 -0.344 0.000 1.058 46 D CA -0.440 53.370 54.000 -0.316 0.000 0.950 46 D CB 0.729 41.495 40.800 -0.057 0.000 1.158 46 D HN 0.538 nan 8.370 nan 0.000 0.453 47 H N 0.566 119.622 119.070 -0.023 0.000 3.289 47 H HA 0.177 4.727 4.556 -0.009 0.000 0.248 47 H C 1.193 176.375 175.328 -0.243 0.000 1.175 47 H CA 0.397 56.334 56.048 -0.185 0.000 1.496 47 H CB -0.219 29.592 29.762 0.081 0.000 1.571 47 H HN 0.692 nan 8.280 nan 0.000 0.495 48 G N 4.032 112.498 108.800 -0.556 0.000 2.323 48 G HA2 -0.321 3.633 3.960 -0.011 0.000 0.292 48 G HA3 -0.321 3.633 3.960 -0.011 0.000 0.292 48 G C 0.067 174.931 174.900 -0.061 0.000 1.040 48 G CA 0.756 45.600 45.100 -0.427 0.000 0.942 48 G HN 0.907 nan 8.290 nan 0.000 0.506 49 N N -2.596 116.073 118.700 -0.051 0.000 3.185 49 N HA 0.541 5.274 4.740 -0.011 0.000 0.238 49 N C -0.392 175.086 175.510 -0.052 0.000 1.451 49 N CA -1.111 51.895 53.050 -0.074 0.000 0.888 49 N CB 0.465 38.535 38.487 -0.695 0.000 1.413 49 N HN 0.150 nan 8.380 nan 0.000 0.511 50 L N 0.738 121.837 121.223 -0.207 0.000 3.122 50 L HA 0.543 4.877 4.340 -0.011 0.000 0.274 50 L C 0.354 177.229 176.870 0.007 0.000 1.222 50 L CA -0.308 54.493 54.840 -0.065 0.000 1.028 50 L CB -0.882 41.130 42.059 -0.078 0.000 1.386 50 L HN 0.747 nan 8.230 nan 0.000 0.578 51 F N -0.006 119.971 119.950 0.046 0.000 2.043 51 F HA -0.282 4.238 4.527 -0.012 0.000 0.297 51 F C 2.317 177.891 175.800 -0.377 0.000 1.118 51 F CA 1.365 59.332 58.000 -0.056 0.000 1.202 51 F CB -0.658 38.355 39.000 0.022 0.000 0.965 51 F HN 0.308 nan 8.300 nan 0.000 0.482 52 G N -0.606 107.788 108.800 -0.677 0.000 2.443 52 G HA2 -0.127 3.827 3.960 -0.011 0.000 0.219 52 G HA3 -0.127 3.827 3.960 -0.011 0.000 0.219 52 G C 1.750 176.472 174.900 -0.295 0.000 1.131 52 G CA 0.770 45.191 45.100 -1.132 0.000 0.775 52 G HN 0.491 nan 8.290 nan 0.000 0.547 53 A N 0.434 123.257 122.820 0.004 0.000 1.899 53 A HA -0.262 4.051 4.320 -0.011 0.000 0.230 53 A C 2.606 180.218 177.584 0.047 0.000 1.593 53 A CA 2.983 55.118 52.037 0.163 0.000 0.728 53 A CB -1.161 18.076 19.000 0.395 0.000 0.848 53 A HN 0.466 nan 8.150 nan 0.000 0.490 54 V N -0.386 119.286 119.914 -0.403 0.000 2.270 54 V HA -0.246 3.868 4.120 -0.011 0.000 0.245 54 V C 2.561 178.517 176.094 -0.230 0.000 1.043 54 V CA 2.350 64.304 62.300 -0.577 0.000 1.014 54 V CB -0.819 30.165 31.823 -1.398 0.000 0.645 54 V HN 0.757 nan 8.190 nan 0.000 0.447 55 E N -0.473 119.586 120.200 -0.235 0.000 2.110 55 E HA -0.254 4.089 4.350 -0.011 0.000 0.193 55 E C 2.098 178.717 176.600 0.031 0.000 0.988 55 E CA 1.461 57.819 56.400 -0.070 0.000 0.804 55 E CB -0.141 29.539 29.700 -0.033 0.000 0.745 55 E HN 0.584 nan 8.360 nan 0.000 0.458 56 F N 0.385 120.288 119.950 -0.078 0.000 2.102 56 F HA -0.245 4.276 4.527 -0.010 0.000 0.298 56 F C 2.173 177.976 175.800 0.005 0.000 1.105 56 F CA 1.808 59.799 58.000 -0.016 0.000 1.239 56 F CB -0.609 38.382 39.000 -0.015 0.000 0.991 56 F HN 0.103 nan 8.300 nan 0.000 0.474 57 Y N 2.034 122.329 120.300 -0.008 0.000 2.165 57 Y HA -0.278 4.266 4.550 -0.011 0.000 0.286 57 Y C 2.499 178.294 175.900 -0.175 0.000 1.155 57 Y CA 2.544 60.580 58.100 -0.107 0.000 1.164 57 Y CB -0.549 37.879 38.460 -0.053 0.000 0.978 57 Y HN 0.227 nan 8.280 nan 0.000 0.513 58 K N -0.261 120.126 120.400 -0.022 0.000 2.296 58 K HA -0.039 4.275 4.320 -0.011 0.000 0.200 58 K C 1.786 178.287 176.600 -0.165 0.000 1.048 58 K CA 1.091 57.320 56.287 -0.096 0.000 0.966 58 K CB -0.116 32.388 32.500 0.007 0.000 0.754 58 K HN 0.240 nan 8.250 nan 0.000 0.466 59 K N 0.638 120.934 120.400 -0.174 0.000 2.098 59 K HA 0.071 4.385 4.320 -0.011 0.000 0.203 59 K C 2.294 178.746 176.600 -0.247 0.000 1.051 59 K CA 0.962 57.149 56.287 -0.167 0.000 0.957 59 K CB -0.019 32.418 32.500 -0.105 0.000 0.738 59 K HN 0.236 nan 8.250 nan 0.000 0.447 60 A N 0.764 123.342 122.820 -0.404 0.000 1.930 60 A HA -0.130 4.184 4.320 -0.011 0.000 0.217 60 A C 2.209 179.580 177.584 -0.355 0.000 1.175 60 A CA 1.866 53.642 52.037 -0.435 0.000 0.627 60 A CB -0.788 17.796 19.000 -0.694 0.000 0.815 60 A HN 0.236 nan 8.150 nan 0.000 0.443 61 T N -0.635 113.666 114.554 -0.421 0.000 2.867 61 T HA 0.077 4.420 4.350 -0.011 0.000 0.268 61 T C 1.687 176.239 174.700 -0.246 0.000 1.057 61 T CA 1.508 63.371 62.100 -0.395 0.000 1.136 61 T CB -0.302 68.206 68.868 -0.600 0.000 0.874 61 T HN 0.492 nan 8.240 nan 0.000 0.466 62 A N -0.102 122.596 122.820 -0.204 0.000 2.251 62 A HA 0.380 4.694 4.320 -0.011 0.000 0.209 62 A C 1.930 179.446 177.584 -0.114 0.000 1.187 62 A CA 0.225 52.180 52.037 -0.136 0.000 0.823 62 A CB -0.197 18.738 19.000 -0.108 0.000 0.846 62 A HN 0.492 nan 8.150 nan 0.000 0.486 63 M N -1.699 117.821 119.600 -0.134 0.000 2.333 63 M HA 0.176 4.650 4.480 -0.011 0.000 0.257 63 M C 1.314 177.552 176.300 -0.103 0.000 1.078 63 M CA 0.831 56.068 55.300 -0.105 0.000 1.005 63 M CB 0.588 33.126 32.600 -0.104 0.000 1.444 63 M HN 0.626 nan 8.290 nan 0.000 0.496 64 G N 1.288 110.015 108.800 -0.123 0.000 2.159 64 G HA2 -0.200 3.753 3.960 -0.011 0.000 0.256 64 G HA3 -0.200 3.753 3.960 -0.011 0.000 0.256 64 G C 0.034 174.866 174.900 -0.114 0.000 0.977 64 G CA -0.027 45.008 45.100 -0.109 0.000 0.652 64 G HN 0.323 nan 8.290 nan 0.000 0.531 65 V N 0.832 120.661 119.914 -0.140 0.000 2.607 65 V HA 0.428 4.541 4.120 -0.011 0.000 0.289 65 V C 0.900 176.895 176.094 -0.166 0.000 1.053 65 V CA -0.510 61.708 62.300 -0.138 0.000 0.996 65 V CB 1.810 33.545 31.823 -0.146 0.000 0.995 65 V HN 0.306 nan 8.190 nan 0.000 0.476 66 K N 6.410 126.739 120.400 -0.119 0.000 2.285 66 K HA 0.340 4.653 4.320 -0.011 0.000 0.286 66 K C -2.444 174.113 176.600 -0.071 0.000 1.072 66 K CA -1.620 54.605 56.287 -0.104 0.000 0.913 66 K CB 1.166 33.628 32.500 -0.063 0.000 1.067 66 K HN 0.429 nan 8.250 nan 0.000 0.479 67 P HA 0.233 nan 4.420 nan 0.000 0.278 67 P C -0.729 176.694 177.300 0.205 0.000 1.238 67 P CA -0.262 62.884 63.100 0.076 0.000 0.794 67 P CB 1.053 32.735 31.700 -0.029 0.000 0.955 68 I N 2.811 123.562 120.570 0.301 0.000 2.447 68 I HA 0.345 4.509 4.170 -0.011 0.000 0.287 68 I C 0.268 176.462 176.117 0.128 0.000 1.023 68 I CA -0.822 60.574 61.300 0.160 0.000 1.083 68 I CB 1.724 39.756 38.000 0.055 0.000 1.245 68 I HN 0.139 nan 8.210 nan 0.000 0.434 69 I N 5.649 126.294 120.570 0.124 0.000 2.337 69 I HA 0.444 4.608 4.170 -0.011 0.000 0.291 69 I C 0.825 176.949 176.117 0.010 0.000 1.046 69 I CA 0.322 61.669 61.300 0.078 0.000 1.324 69 I CB 0.731 38.837 38.000 0.178 0.000 1.409 69 I HN 0.693 nan 8.210 nan 0.000 0.494 70 G N 5.035 113.792 108.800 -0.072 0.000 2.816 70 G HA2 0.630 4.583 3.960 -0.011 0.000 0.288 70 G HA3 0.630 4.583 3.960 -0.011 0.000 0.288 70 G C -2.123 172.748 174.900 -0.047 0.000 1.334 70 G CA -0.419 44.627 45.100 -0.090 0.000 0.978 70 G HN 0.377 nan 8.290 nan 0.000 0.493 71 Y N -0.253 119.895 120.300 -0.254 0.000 2.348 71 Y HA 0.437 4.980 4.550 -0.011 0.000 0.321 71 Y C -0.807 174.910 175.900 -0.305 0.000 1.163 71 Y CA -0.804 57.143 58.100 -0.254 0.000 1.070 71 Y CB 1.976 40.326 38.460 -0.184 0.000 1.250 71 Y HN 0.565 nan 8.280 nan 0.000 0.425 72 E N 5.181 124.976 120.200 -0.676 0.000 1.963 72 E HA 0.624 4.968 4.350 -0.011 0.000 0.274 72 E C -0.678 175.383 176.600 -0.898 0.000 1.061 72 E CA -0.433 55.568 56.400 -0.665 0.000 0.847 72 E CB 0.403 29.739 29.700 -0.606 0.000 1.083 72 E HN 0.721 nan 8.360 nan 0.000 0.402 73 A N 4.458 126.899 122.820 -0.633 0.000 2.440 73 A HA 0.157 4.471 4.320 -0.011 0.000 0.251 73 A C -0.923 176.431 177.584 -0.384 0.000 1.089 73 A CA -0.101 51.655 52.037 -0.468 0.000 0.779 73 A CB 0.115 19.169 19.000 0.090 0.000 1.022 73 A HN 0.679 nan 8.150 nan 0.000 0.492 74 Y N 1.468 121.655 120.300 -0.190 0.000 2.393 74 Y HA 0.373 4.918 4.550 -0.009 0.000 0.338 74 Y C 0.639 176.554 175.900 0.025 0.000 1.029 74 Y CA 0.036 58.064 58.100 -0.120 0.000 1.239 74 Y CB 1.233 39.450 38.460 -0.404 0.000 1.170 74 Y HN 0.520 nan 8.280 nan 0.000 0.515 75 V N 3.731 123.833 119.914 0.315 0.000 2.417 75 V HA 0.841 4.954 4.120 -0.011 0.000 0.291 75 V C -0.081 176.232 176.094 0.365 0.000 1.024 75 V CA -0.829 61.647 62.300 0.293 0.000 0.861 75 V CB 0.726 32.715 31.823 0.277 0.000 0.985 75 V HN 0.852 nan 8.190 nan 0.000 0.436 76 A N 5.259 128.236 122.820 0.261 0.000 2.462 76 A HA 0.665 4.979 4.320 -0.011 0.000 0.243 76 A C 1.623 179.385 177.584 0.297 0.000 1.076 76 A CA 0.348 52.537 52.037 0.252 0.000 0.773 76 A CB 0.672 19.756 19.000 0.141 0.000 1.010 76 A HN 2.076 nan 8.150 nan 0.000 0.493 77 A N 1.435 124.453 122.820 0.329 0.000 1.884 77 A HA -0.148 4.165 4.320 -0.011 0.000 0.219 77 A C 1.746 179.469 177.584 0.231 0.000 1.197 77 A CA 2.279 54.540 52.037 0.374 0.000 0.637 77 A CB -0.346 18.843 19.000 0.314 0.000 0.827 77 A HN 0.839 nan 8.150 nan 0.000 0.450 78 E N -1.782 118.515 120.200 0.161 0.000 2.933 78 E HA 0.237 4.580 4.350 -0.011 0.000 0.246 78 E C 0.430 177.082 176.600 0.086 0.000 1.066 78 E CA 0.348 56.816 56.400 0.112 0.000 0.984 78 E CB -0.623 29.133 29.700 0.092 0.000 2.860 78 E HN 0.297 nan 8.360 nan 0.000 0.586 79 S N 0.677 116.421 115.700 0.073 0.000 2.565 79 S HA 0.213 4.676 4.470 -0.011 0.000 0.290 79 S C 0.930 175.526 174.600 -0.006 0.000 1.150 79 S CA -0.589 57.640 58.200 0.047 0.000 1.058 79 S CB 1.048 64.316 63.200 0.113 0.000 1.032 79 S HN 0.341 nan 8.310 nan 0.000 0.510 80 R N 2.305 122.721 120.500 -0.140 0.000 2.280 80 R HA 0.014 4.348 4.340 -0.011 0.000 0.207 80 R C 0.753 176.903 176.300 -0.249 0.000 1.043 80 R CA 1.295 57.266 56.100 -0.216 0.000 1.006 80 R CB -0.547 29.553 30.300 -0.332 0.000 0.885 80 R HN 0.656 nan 8.270 nan 0.000 0.467 81 F N 1.699 121.653 119.950 0.006 0.000 2.664 81 F HA 0.112 4.632 4.527 -0.012 0.000 0.296 81 F C 0.291 176.047 175.800 -0.074 0.000 1.125 81 F CA -0.553 57.435 58.000 -0.020 0.000 1.444 81 F CB 0.078 39.072 39.000 -0.011 0.000 1.114 81 F HN -0.105 nan 8.300 nan 0.000 0.576 82 D N 1.716 122.155 120.400 0.064 0.000 2.493 82 D HA 0.009 4.642 4.640 -0.011 0.000 0.240 82 D C 0.590 176.734 176.300 -0.260 0.000 1.142 82 D CA 0.443 54.415 54.000 -0.046 0.000 0.872 82 D CB 0.507 41.296 40.800 -0.018 0.000 1.173 82 D HN 0.032 nan 8.370 nan 0.000 0.467 83 R N 2.526 122.809 120.500 -0.362 0.000 3.026 83 R HA 0.153 4.487 4.340 -0.011 0.000 0.317 83 R C 0.004 176.004 176.300 -0.499 0.000 1.278 83 R CA -0.509 55.090 56.100 -0.835 0.000 1.407 83 R CB 0.186 30.153 30.300 -0.554 0.000 1.368 83 R HN 0.229 nan 8.270 nan 0.000 0.612 84 K N 1.495 121.726 120.400 -0.283 0.000 2.234 84 K HA 0.248 4.561 4.320 -0.011 0.000 0.282 84 K C 0.226 176.875 176.600 0.081 0.000 1.039 84 K CA -0.152 56.103 56.287 -0.054 0.000 0.928 84 K CB 0.982 33.473 32.500 -0.015 0.000 1.039 84 K HN 0.108 nan 8.250 nan 0.000 0.470 92 G N -1.284 107.425 108.800 -0.152 0.000 3.345 92 G HA2 0.684 4.637 3.960 -0.011 0.000 0.202 92 G HA3 0.684 4.637 3.960 -0.011 0.000 0.202 92 G C -0.640 174.152 174.900 -0.181 0.000 1.740 92 G CA 0.488 45.432 45.100 -0.260 0.000 0.806 92 G HN 1.591 nan 8.290 nan 0.000 0.718 93 Y N -2.053 118.050 120.300 -0.328 0.000 2.581 93 Y HA 0.794 5.338 4.550 -0.010 0.000 0.337 93 Y C -1.764 173.924 175.900 -0.354 0.000 1.108 93 Y CA -2.707 55.282 58.100 -0.185 0.000 1.033 93 Y CB 0.786 39.241 38.460 -0.009 0.000 1.318 93 Y HN 0.314 nan 8.280 nan 0.000 0.459 94 F N 0.423 120.643 119.950 0.450 0.000 2.618 94 F HA 0.569 5.091 4.527 -0.008 0.000 0.332 94 F C 0.223 176.324 175.800 0.502 0.000 1.061 94 F CA -1.021 57.195 58.000 0.360 0.000 0.974 94 F CB 1.661 40.764 39.000 0.172 0.000 1.310 94 F HN 0.579 nan 8.300 nan 0.000 0.491 95 H N 0.616 119.919 119.070 0.388 0.000 2.482 95 H HA 0.662 5.211 4.556 -0.011 0.000 0.344 95 H C -1.314 174.111 175.328 0.162 0.000 1.151 95 H CA -0.909 55.260 56.048 0.203 0.000 1.300 95 H CB 2.138 32.014 29.762 0.190 0.000 1.494 95 H HN 0.318 nan 8.280 nan 0.000 0.542 96 L N 1.396 122.708 121.223 0.148 0.000 2.543 96 L HA 0.184 4.517 4.340 -0.011 0.000 0.265 96 L C -0.788 176.048 176.870 -0.058 0.000 0.945 96 L CA -0.305 54.589 54.840 0.090 0.000 0.869 96 L CB 2.159 44.301 42.059 0.139 0.000 1.294 96 L HN 0.559 nan 8.230 nan 0.000 0.405 97 T N 5.868 120.359 114.554 -0.105 0.000 2.761 97 T HA 0.616 4.959 4.350 -0.011 0.000 0.296 97 T C -0.236 174.347 174.700 -0.194 0.000 0.934 97 T CA -0.060 61.892 62.100 -0.246 0.000 1.091 97 T CB 0.173 68.859 68.868 -0.304 0.000 0.896 97 T HN 0.414 nan 8.240 nan 0.000 0.515 98 L N 4.056 125.184 121.223 -0.158 0.000 2.386 98 L HA 0.655 4.989 4.340 -0.011 0.000 0.271 98 L C -0.628 176.187 176.870 -0.091 0.000 0.993 98 L CA -0.999 53.784 54.840 -0.094 0.000 0.819 98 L CB 1.670 43.751 42.059 0.037 0.000 1.294 98 L HN 0.386 nan 8.230 nan 0.000 0.414 99 L N 2.178 123.352 121.223 -0.081 0.000 2.386 99 L HA 0.746 5.079 4.340 -0.011 0.000 0.271 99 L C -0.165 176.701 176.870 -0.006 0.000 0.993 99 L CA -0.794 54.013 54.840 -0.056 0.000 0.819 99 L CB 2.140 44.149 42.059 -0.084 0.000 1.294 99 L HN 0.675 nan 8.230 nan 0.000 0.414 100 A N 1.938 124.769 122.820 0.019 0.000 2.276 100 A HA 0.408 4.721 4.320 -0.011 0.000 0.300 100 A C 0.649 178.271 177.584 0.062 0.000 1.235 100 A CA -0.494 51.572 52.037 0.050 0.000 0.867 100 A CB 0.598 19.644 19.000 0.077 0.000 1.137 100 A HN 0.929 nan 8.150 nan 0.000 0.527 101 K N 1.379 121.821 120.400 0.069 0.000 2.334 101 K HA 0.182 4.495 4.320 -0.011 0.000 0.195 101 K C -0.116 176.537 176.600 0.088 0.000 1.045 101 K CA 1.010 57.339 56.287 0.071 0.000 1.004 101 K CB 0.123 32.665 32.500 0.071 0.000 0.837 101 K HN 0.706 nan 8.250 nan 0.000 0.510 102 D N -2.054 118.410 120.400 0.106 0.000 2.744 102 D HA 0.111 4.744 4.640 -0.011 0.000 0.304 102 D C 0.121 176.535 176.300 0.191 0.000 1.179 102 D CA -0.942 53.142 54.000 0.141 0.000 1.024 102 D CB -0.030 40.846 40.800 0.126 0.000 1.453 102 D HN -0.148 nan 8.370 nan 0.000 0.529 103 F N 0.178 120.174 119.950 0.076 0.000 2.171 103 F HA -0.071 4.449 4.527 -0.010 0.000 0.300 103 F C 2.062 177.945 175.800 0.138 0.000 1.090 103 F CA 1.721 59.788 58.000 0.112 0.000 1.293 103 F CB -0.388 38.650 39.000 0.064 0.000 1.013 103 F HN 0.390 nan 8.300 nan 0.000 0.486 104 T N -0.372 114.253 114.554 0.118 0.000 2.788 104 T HA -0.136 4.208 4.350 -0.011 0.000 0.268 104 T C 2.225 176.895 174.700 -0.050 0.000 1.044 104 T CA 1.317 63.424 62.100 0.012 0.000 1.139 104 T CB -1.184 67.723 68.868 0.066 0.000 0.867 104 T HN 0.450 nan 8.240 nan 0.000 0.454 105 G N 0.441 109.246 108.800 0.009 0.000 2.491 105 G HA2 -0.300 3.653 3.960 -0.011 0.000 0.218 105 G HA3 -0.300 3.653 3.960 -0.011 0.000 0.218 105 G C 1.343 176.202 174.900 -0.069 0.000 1.180 105 G CA 1.095 46.197 45.100 0.003 0.000 0.774 105 G HN 0.550 nan 8.290 nan 0.000 0.562 106 Y N 1.375 121.553 120.300 -0.204 0.000 2.081 106 Y HA -0.247 4.297 4.550 -0.011 0.000 0.280 106 Y C 3.050 178.726 175.900 -0.374 0.000 1.163 106 Y CA 2.513 60.436 58.100 -0.295 0.000 1.135 106 Y CB -0.538 37.691 38.460 -0.386 0.000 0.970 106 Y HN 0.333 nan 8.280 nan 0.000 0.498 107 Q N -0.193 119.209 119.800 -0.663 0.000 2.061 107 Q HA -0.237 4.097 4.340 -0.011 0.000 0.204 107 Q C 2.018 177.731 176.000 -0.479 0.000 0.984 107 Q CA 1.667 57.092 55.803 -0.630 0.000 0.846 107 Q CB -0.315 28.184 28.738 -0.400 0.000 0.902 107 Q HN 0.502 nan 8.270 nan 0.000 0.421 108 N N 0.534 119.040 118.700 -0.324 0.000 2.166 108 N HA -0.105 4.628 4.740 -0.011 0.000 0.186 108 N C 1.744 177.038 175.510 -0.359 0.000 1.019 108 N CA 0.847 53.736 53.050 -0.269 0.000 0.856 108 N CB -0.221 38.221 38.487 -0.075 0.000 0.993 108 N HN 0.205 nan 8.380 nan 0.000 0.426 109 L N 0.101 121.100 121.223 -0.373 0.000 2.042 109 L HA -0.148 4.185 4.340 -0.011 0.000 0.210 109 L C 2.100 178.630 176.870 -0.567 0.000 1.076 109 L CA 0.886 55.453 54.840 -0.455 0.000 0.749 109 L CB -0.478 41.361 42.059 -0.366 0.000 0.893 109 L HN 0.005 nan 8.230 nan 0.000 0.432 110 V N -0.100 119.446 119.914 -0.613 0.000 2.332 110 V HA -0.315 3.799 4.120 -0.011 0.000 0.248 110 V C 2.591 178.426 176.094 -0.433 0.000 1.055 110 V CA 1.864 63.833 62.300 -0.551 0.000 1.038 110 V CB -0.627 30.806 31.823 -0.648 0.000 0.651 110 V HN 0.434 nan 8.190 nan 0.000 0.450 111 R N -0.428 119.793 120.500 -0.465 0.000 2.066 111 R HA -0.063 4.271 4.340 -0.011 0.000 0.232 111 R C 2.305 178.340 176.300 -0.443 0.000 1.131 111 R CA 1.378 57.195 56.100 -0.471 0.000 0.955 111 R CB -0.491 29.386 30.300 -0.704 0.000 0.851 111 R HN 0.385 nan 8.270 nan 0.000 0.432 112 L N 0.286 121.218 121.223 -0.486 0.000 1.989 112 L HA -0.209 4.125 4.340 -0.011 0.000 0.211 112 L C 2.700 179.380 176.870 -0.318 0.000 1.071 112 L CA 1.485 56.119 54.840 -0.344 0.000 0.749 112 L CB -0.674 41.191 42.059 -0.323 0.000 0.890 112 L HN 0.284 nan 8.230 nan 0.000 0.431 113 A N -0.920 121.596 122.820 -0.507 0.000 1.978 113 A HA -0.217 4.097 4.320 -0.011 0.000 0.220 113 A C 2.497 180.062 177.584 -0.033 0.000 1.170 113 A CA 2.238 54.077 52.037 -0.331 0.000 0.636 113 A CB -0.583 18.174 19.000 -0.405 0.000 0.810 113 A HN 0.406 nan 8.150 nan 0.000 0.448 114 S N -0.884 114.754 115.700 -0.102 0.000 2.345 114 S HA -0.097 4.367 4.470 -0.011 0.000 0.219 114 S C 2.109 176.731 174.600 0.038 0.000 1.031 114 S CA 1.230 59.420 58.200 -0.016 0.000 0.984 114 S CB -0.268 62.876 63.200 -0.094 0.000 0.874 114 S HN 0.620 nan 8.310 nan 0.000 0.451 115 R N 1.083 121.565 120.500 -0.031 0.000 2.096 115 R HA -0.002 4.332 4.340 -0.011 0.000 0.235 115 R C 2.531 178.847 176.300 0.026 0.000 1.127 115 R CA 1.112 57.210 56.100 -0.004 0.000 0.968 115 R CB -0.497 29.784 30.300 -0.032 0.000 0.861 115 R HN 0.392 nan 8.270 nan 0.000 0.440 116 A N 0.110 122.942 122.820 0.021 0.000 1.948 116 A HA -0.224 4.089 4.320 -0.011 0.000 0.220 116 A C 1.786 179.394 177.584 0.040 0.000 1.177 116 A CA 1.402 53.449 52.037 0.016 0.000 0.636 116 A CB -0.619 18.397 19.000 0.027 0.000 0.815 116 A HN 0.392 nan 8.150 nan 0.000 0.449 117 Y N -0.778 119.597 120.300 0.125 0.000 2.269 117 Y HA 0.086 4.630 4.550 -0.011 0.000 0.294 117 Y C 2.200 178.151 175.900 0.086 0.000 1.120 117 Y CA 1.101 59.277 58.100 0.126 0.000 1.159 117 Y CB 0.000 38.485 38.460 0.041 0.000 1.024 117 Y HN 0.149 nan 8.280 nan 0.000 0.532 118 L N -0.769 120.580 121.223 0.210 0.000 2.209 118 L HA -0.077 4.256 4.340 -0.011 0.000 0.207 118 L C 1.498 178.453 176.870 0.142 0.000 1.094 118 L CA 1.369 56.292 54.840 0.138 0.000 0.790 118 L CB -0.152 41.959 42.059 0.087 0.000 0.932 118 L HN 0.232 nan 8.230 nan 0.000 0.447 119 E N -0.861 119.408 120.200 0.116 0.000 2.399 119 E HA 0.091 4.434 4.350 -0.011 0.000 0.205 119 E C 1.495 178.103 176.600 0.014 0.000 0.906 119 E CA 0.409 56.867 56.400 0.096 0.000 0.998 119 E CB 0.550 30.249 29.700 -0.001 0.000 1.002 119 E HN 0.338 nan 8.360 nan 0.000 0.501 120 G N 0.647 109.460 108.800 0.022 0.000 3.774 120 G HA2 0.090 4.043 3.960 -0.011 0.000 0.287 120 G HA3 0.090 4.043 3.960 -0.011 0.000 0.287 120 G C -0.652 174.291 174.900 0.071 0.000 1.030 120 G CA -0.429 44.657 45.100 -0.024 0.000 0.824 120 G HN 0.025 nan 8.290 nan 0.000 0.518 121 F N 2.093 122.058 119.950 0.024 0.000 2.404 121 F HA 0.521 5.042 4.527 -0.010 0.000 0.359 121 F C 0.811 176.696 175.800 0.141 0.000 1.134 121 F CA -1.154 56.870 58.000 0.040 0.000 1.160 121 F CB 0.766 39.819 39.000 0.088 0.000 1.186 121 F HN 0.126 nan 8.300 nan 0.000 0.526 122 Y N 3.908 123.903 120.300 -0.509 0.000 2.435 122 Y HA 0.201 4.743 4.550 -0.014 0.000 0.251 122 Y C 1.472 177.012 175.900 -0.599 0.000 1.077 122 Y CA 1.232 59.111 58.100 -0.368 0.000 1.243 122 Y CB -0.140 38.211 38.460 -0.181 0.000 1.107 122 Y HN 0.577 nan 8.280 nan 0.000 0.496 123 E N -0.406 119.335 120.200 -0.766 0.000 2.290 123 E HA 0.126 4.470 4.350 -0.011 0.000 0.199 123 E C 0.029 176.117 176.600 -0.854 0.000 0.912 123 E CA 0.157 56.119 56.400 -0.730 0.000 0.924 123 E CB 0.605 29.995 29.700 -0.516 0.000 0.901 123 E HN 0.034 nan 8.360 nan 0.000 0.487 124 K N 1.125 120.957 120.400 -0.947 0.000 2.295 124 K HA 0.370 4.684 4.320 -0.011 0.000 0.239 124 K C -2.674 173.422 176.600 -0.840 0.000 0.991 124 K CA -2.388 53.339 56.287 -0.935 0.000 0.845 124 K CB 1.365 32.953 32.500 -1.520 0.000 1.197 124 K HN -0.117 nan 8.250 nan 0.000 0.441 125 P HA 0.280 nan 4.420 nan 0.000 0.281 125 P C -0.921 176.285 177.300 -0.156 0.000 1.286 125 P CA -0.225 62.743 63.100 -0.221 0.000 0.772 125 P CB 0.602 31.880 31.700 -0.704 0.000 0.862 126 R N 2.993 123.430 120.500 -0.105 0.000 2.778 126 R HA 0.732 5.065 4.340 -0.011 0.000 0.277 126 R C 0.492 176.802 176.300 0.016 0.000 0.977 126 R CA -1.033 55.054 56.100 -0.022 0.000 0.950 126 R CB 1.790 32.071 30.300 -0.032 0.000 1.165 126 R HN 0.487 nan 8.270 nan 0.000 0.474 127 I N -2.725 117.886 120.570 0.068 0.000 3.237 127 I HA 0.611 4.774 4.170 -0.011 0.000 0.308 127 I C -0.836 175.315 176.117 0.056 0.000 1.093 127 I CA -1.034 60.298 61.300 0.053 0.000 1.001 127 I CB 2.010 40.069 38.000 0.098 0.000 1.245 127 I HN 0.246 nan 8.210 nan 0.000 0.485 128 D N 0.612 121.032 120.400 0.032 0.000 2.269 128 D HA 0.409 5.042 4.640 -0.011 0.000 0.244 128 D C 0.538 176.872 176.300 0.056 0.000 0.992 128 D CA -0.502 53.517 54.000 0.032 0.000 0.894 128 D CB 2.382 43.171 40.800 -0.019 0.000 1.248 128 D HN 0.481 nan 8.370 nan 0.000 0.468 129 R N 0.469 121.005 120.500 0.060 0.000 2.148 129 R HA -0.093 4.241 4.340 -0.011 0.000 0.227 129 R C 1.633 177.928 176.300 -0.008 0.000 1.103 129 R CA 0.864 56.988 56.100 0.040 0.000 0.983 129 R CB 0.235 30.559 30.300 0.039 0.000 0.874 129 R HN 0.557 nan 8.270 nan 0.000 0.451 130 E N 1.161 121.357 120.200 -0.008 0.000 2.007 130 E HA -0.212 4.131 4.350 -0.011 0.000 0.194 130 E C 1.953 178.525 176.600 -0.048 0.000 0.999 130 E CA 1.663 58.045 56.400 -0.029 0.000 0.811 130 E CB -0.091 29.602 29.700 -0.012 0.000 0.762 130 E HN 0.431 nan 8.360 nan 0.000 0.450 131 I N -1.047 119.509 120.570 -0.023 0.000 2.493 131 I HA -0.153 4.011 4.170 -0.011 0.000 0.254 131 I C 2.327 178.456 176.117 0.020 0.000 1.160 131 I CA 0.733 62.029 61.300 -0.007 0.000 1.445 131 I CB -0.237 37.793 38.000 0.051 0.000 1.086 131 I HN 0.146 nan 8.210 nan 0.000 0.433 132 L N 1.233 122.469 121.223 0.022 0.000 2.017 132 L HA -0.204 4.129 4.340 -0.011 0.000 0.208 132 L C 3.030 179.830 176.870 -0.116 0.000 1.073 132 L CA 1.811 56.664 54.840 0.021 0.000 0.745 132 L CB -0.464 41.634 42.059 0.065 0.000 0.894 132 L HN 0.379 nan 8.230 nan 0.000 0.432 133 R N 0.078 120.480 120.500 -0.164 0.000 2.105 133 R HA -0.249 4.084 4.340 -0.011 0.000 0.239 133 R C 2.137 178.309 176.300 -0.213 0.000 1.135 133 R CA 1.928 57.893 56.100 -0.226 0.000 0.967 133 R CB -0.198 29.997 30.300 -0.175 0.000 0.861 133 R HN 0.418 nan 8.270 nan 0.000 0.442 134 E N -0.536 119.525 120.200 -0.231 0.000 2.072 134 E HA -0.173 4.170 4.350 -0.011 0.000 0.191 134 E C 0.313 176.651 176.600 -0.437 0.000 0.985 134 E CA 0.910 57.090 56.400 -0.366 0.000 0.801 134 E CB 0.140 29.543 29.700 -0.496 0.000 0.750 134 E HN 0.529 nan 8.360 nan 0.000 0.452 135 H N -1.197 117.823 119.070 -0.083 0.000 2.490 135 H HA 0.329 4.879 4.556 -0.011 0.000 0.285 135 H C 0.481 175.772 175.328 -0.062 0.000 1.127 135 H CA 0.433 56.436 56.048 -0.075 0.000 0.993 135 H CB 0.950 30.663 29.762 -0.081 0.000 1.653 135 H HN 0.179 nan 8.280 nan 0.000 0.557 136 A N 0.178 122.975 122.820 -0.039 0.000 2.081 136 A HA -0.047 4.267 4.320 -0.011 0.000 0.214 136 A C 1.347 178.955 177.584 0.041 0.000 1.158 136 A CA 0.005 52.000 52.037 -0.069 0.000 0.724 136 A CB 0.086 18.850 19.000 -0.394 0.000 0.826 136 A HN 0.377 nan 8.150 nan 0.000 0.463 137 Q N 0.074 119.886 119.800 0.019 0.000 2.255 137 Q HA 0.312 4.645 4.340 -0.011 0.000 0.280 137 Q C 0.873 176.914 176.000 0.068 0.000 1.068 137 Q CA 0.839 56.667 55.803 0.041 0.000 0.911 137 Q CB -0.084 28.667 28.738 0.021 0.000 1.157 137 Q HN 0.901 nan 8.270 nan 0.000 0.380 138 G N 3.686 112.540 108.800 0.090 0.000 2.132 138 G HA2 -0.207 3.747 3.960 -0.011 0.000 0.234 138 G HA3 -0.207 3.747 3.960 -0.011 0.000 0.234 138 G C -0.277 174.689 174.900 0.109 0.000 0.989 138 G CA -0.005 45.149 45.100 0.091 0.000 0.676 138 G HN 0.532 nan 8.290 nan 0.000 0.522 139 L N 0.419 121.744 121.223 0.169 0.000 2.341 139 L HA 0.655 4.989 4.340 -0.011 0.000 0.278 139 L C 0.450 177.431 176.870 0.185 0.000 1.005 139 L CA -1.103 53.851 54.840 0.189 0.000 0.818 139 L CB 1.858 44.093 42.059 0.294 0.000 1.259 139 L HN 0.008 nan 8.230 nan 0.000 0.418 140 I N 2.265 122.873 120.570 0.064 0.000 2.385 140 I HA 0.554 4.717 4.170 -0.011 0.000 0.294 140 I C 0.246 176.237 176.117 -0.211 0.000 0.988 140 I CA -0.173 61.131 61.300 0.006 0.000 1.265 140 I CB 1.857 39.896 38.000 0.066 0.000 1.388 140 I HN 0.664 nan 8.210 nan 0.000 0.480 141 A N 7.396 129.958 122.820 -0.430 0.000 2.374 141 A HA 0.916 5.230 4.320 -0.011 0.000 0.317 141 A C -0.969 176.306 177.584 -0.515 0.000 1.094 141 A CA -0.567 51.110 52.037 -0.600 0.000 0.765 141 A CB 1.209 19.498 19.000 -1.185 0.000 1.268 141 A HN 0.651 nan 8.150 nan 0.000 0.438 142 L N 1.527 122.487 121.223 -0.438 0.000 2.365 142 L HA 0.396 4.730 4.340 -0.011 0.000 0.273 142 L C 1.596 178.243 176.870 -0.373 0.000 1.000 142 L CA -0.380 54.204 54.840 -0.426 0.000 0.819 142 L CB 1.999 43.927 42.059 -0.219 0.000 1.284 142 L HN 0.959 nan 8.230 nan 0.000 0.418 143 S N 1.494 116.955 115.700 -0.398 0.000 2.423 143 S HA -0.023 4.440 4.470 -0.011 0.000 0.238 143 S C 0.921 175.573 174.600 0.085 0.000 1.028 143 S CA 0.774 58.949 58.200 -0.041 0.000 1.000 143 S CB -0.551 62.706 63.200 0.094 0.000 0.797 143 S HN 1.438 nan 8.310 nan 0.000 0.487 144 G N -0.205 108.632 108.800 0.062 0.000 2.661 144 G HA2 -0.102 3.852 3.960 -0.011 0.000 0.685 144 G HA3 -0.102 3.852 3.960 -0.011 0.000 0.685 144 G C 0.061 175.072 174.900 0.186 0.000 1.298 144 G CA -0.478 44.712 45.100 0.151 0.000 0.855 144 G HN 1.601 nan 8.290 nan 0.000 0.560 145 C N -0.376 119.077 119.300 0.256 0.000 2.705 145 C HA 0.614 5.068 4.460 -0.011 0.000 0.348 145 C C 2.396 177.466 174.990 0.134 0.000 1.386 145 C CA -0.042 59.098 59.018 0.202 0.000 2.361 145 C CB -0.554 27.336 27.740 0.250 0.000 2.486 145 C HN 0.974 nan 8.230 nan 0.000 0.728 146 L N 1.334 122.615 121.223 0.097 0.000 2.137 146 L HA -0.072 4.261 4.340 -0.011 0.000 0.213 146 L C 2.641 179.523 176.870 0.020 0.000 1.085 146 L CA 1.909 56.786 54.840 0.061 0.000 0.760 146 L CB -0.798 41.290 42.059 0.048 0.000 0.893 146 L HN 1.081 nan 8.230 nan 0.000 0.434 147 G N -1.118 107.643 108.800 -0.064 0.000 2.920 147 G HA2 0.224 4.178 3.960 -0.011 0.000 0.208 147 G HA3 0.224 4.178 3.960 -0.011 0.000 0.208 147 G C 0.690 175.615 174.900 0.042 0.000 1.159 147 G CA 0.407 45.403 45.100 -0.174 0.000 0.784 147 G HN 0.399 nan 8.290 nan 0.000 0.535 148 A N 0.229 123.139 122.820 0.150 0.000 2.280 148 A HA 0.517 4.830 4.320 -0.011 0.000 0.268 148 A C 1.204 178.884 177.584 0.161 0.000 1.111 148 A CA 0.039 52.230 52.037 0.257 0.000 0.814 148 A CB 0.606 19.739 19.000 0.222 0.000 1.093 148 A HN 0.314 nan 8.150 nan 0.000 0.498 149 E N -0.092 120.095 120.200 -0.021 0.000 2.015 149 E HA -0.168 4.176 4.350 -0.011 0.000 0.191 149 E C 1.675 178.207 176.600 -0.113 0.000 0.991 149 E CA 1.570 57.681 56.400 -0.481 0.000 0.802 149 E CB -0.353 29.118 29.700 -0.382 0.000 0.759 149 E HN 0.672 nan 8.360 nan 0.000 0.447 150 I N 1.630 122.298 120.570 0.162 0.000 2.099 150 I HA -0.198 3.966 4.170 -0.011 0.000 0.239 150 I C -0.637 175.636 176.117 0.261 0.000 1.066 150 I CA 1.062 62.544 61.300 0.303 0.000 1.324 150 I CB -1.451 36.722 38.000 0.289 0.000 1.037 150 I HN 0.113 nan 8.210 nan 0.000 0.401 151 P HA -0.217 nan 4.420 nan 0.000 0.216 151 P C 1.487 178.850 177.300 0.105 0.000 1.150 151 P CA 1.594 64.782 63.100 0.148 0.000 0.837 151 P CB -0.050 31.725 31.700 0.126 0.000 0.786 152 Q N -0.362 119.465 119.800 0.045 0.000 2.096 152 Q HA -0.126 4.208 4.340 -0.011 0.000 0.204 152 Q C 2.096 178.070 176.000 -0.043 0.000 0.982 152 Q CA 1.770 57.559 55.803 -0.023 0.000 0.850 152 Q CB -1.243 27.476 28.738 -0.032 0.000 0.901 152 Q HN 0.222 nan 8.270 nan 0.000 0.422 153 F N -0.670 119.317 119.950 0.061 0.000 2.171 153 F HA -0.135 4.386 4.527 -0.010 0.000 0.300 153 F C 1.963 177.808 175.800 0.075 0.000 1.090 153 F CA 0.705 58.739 58.000 0.057 0.000 1.293 153 F CB -0.147 38.873 39.000 0.032 0.000 1.013 153 F HN 0.073 nan 8.300 nan 0.000 0.486 154 I N -0.188 120.539 120.570 0.262 0.000 2.226 154 I HA -0.314 3.850 4.170 -0.011 0.000 0.245 154 I C 2.279 178.465 176.117 0.116 0.000 1.100 154 I CA 1.218 62.620 61.300 0.170 0.000 1.374 154 I CB -0.497 37.584 38.000 0.134 0.000 1.057 154 I HN 0.125 nan 8.210 nan 0.000 0.413 155 L N 0.008 121.291 121.223 0.100 0.000 2.127 155 L HA -0.241 4.092 4.340 -0.011 0.000 0.211 155 L C 2.111 179.023 176.870 0.071 0.000 1.089 155 L CA 1.411 56.294 54.840 0.071 0.000 0.757 155 L CB -0.356 41.736 42.059 0.054 0.000 0.899 155 L HN 0.366 nan 8.230 nan 0.000 0.434 156 Q N -0.940 118.917 119.800 0.095 0.000 2.365 156 Q HA -0.060 4.274 4.340 -0.011 0.000 0.203 156 Q C -0.247 175.814 176.000 0.103 0.000 0.929 156 Q CA -0.007 55.854 55.803 0.097 0.000 0.948 156 Q CB 0.418 29.227 28.738 0.119 0.000 1.043 156 Q HN 0.288 nan 8.270 nan 0.000 0.505 157 D N 0.071 120.531 120.400 0.100 0.000 3.079 157 D HA -0.149 4.484 4.640 -0.011 0.000 0.214 157 D C -0.485 175.874 176.300 0.097 0.000 1.145 157 D CA 0.734 54.785 54.000 0.084 0.000 0.958 157 D CB -0.478 40.359 40.800 0.061 0.000 1.117 157 D HN 0.204 nan 8.370 nan 0.000 0.416 158 R N 0.777 121.361 120.500 0.140 0.000 3.570 158 R HA 0.297 4.630 4.340 -0.011 0.000 0.233 158 R C 1.693 178.066 176.300 0.123 0.000 1.492 158 R CA -0.266 55.911 56.100 0.129 0.000 1.504 158 R CB -0.446 29.959 30.300 0.175 0.000 1.314 158 R HN 0.304 nan 8.270 nan 0.000 0.687 159 L N 0.575 121.866 121.223 0.113 0.000 2.131 159 L HA -0.234 4.099 4.340 -0.011 0.000 0.210 159 L C 2.072 179.028 176.870 0.143 0.000 1.092 159 L CA 1.501 56.435 54.840 0.156 0.000 0.759 159 L CB -0.308 41.826 42.059 0.124 0.000 0.903 159 L HN 0.365 nan 8.230 nan 0.000 0.435 160 D N 0.714 121.150 120.400 0.059 0.000 2.117 160 D HA -0.217 4.417 4.640 -0.011 0.000 0.197 160 D C 2.106 178.343 176.300 -0.106 0.000 0.987 160 D CA 1.380 55.381 54.000 0.001 0.000 0.829 160 D CB -0.483 40.313 40.800 -0.007 0.000 0.961 160 D HN 0.359 nan 8.370 nan 0.000 0.460 161 L N 0.425 121.528 121.223 -0.200 0.000 2.093 161 L HA -0.014 4.320 4.340 -0.011 0.000 0.208 161 L C 2.938 179.425 176.870 -0.638 0.000 1.085 161 L CA 1.050 55.584 54.840 -0.510 0.000 0.755 161 L CB -0.552 41.029 42.059 -0.796 0.000 0.904 161 L HN 0.068 nan 8.230 nan 0.000 0.435 162 A N -0.029 122.593 122.820 -0.328 0.000 1.877 162 A HA -0.248 4.065 4.320 -0.011 0.000 0.216 162 A C 2.267 179.754 177.584 -0.162 0.000 1.186 162 A CA 1.814 53.816 52.037 -0.058 0.000 0.620 162 A CB -0.474 18.724 19.000 0.330 0.000 0.822 162 A HN 0.431 nan 8.150 nan 0.000 0.443 163 E N -0.363 119.736 120.200 -0.170 0.000 2.072 163 E HA -0.081 4.262 4.350 -0.011 0.000 0.191 163 E C 2.181 178.560 176.600 -0.368 0.000 0.985 163 E CA 0.847 56.973 56.400 -0.457 0.000 0.801 163 E CB -0.222 29.366 29.700 -0.186 0.000 0.750 163 E HN 0.547 nan 8.360 nan 0.000 0.452 164 A N 1.110 123.774 122.820 -0.259 0.000 1.908 164 A HA -0.216 4.097 4.320 -0.011 0.000 0.218 164 A C 2.141 179.560 177.584 -0.275 0.000 1.181 164 A CA 1.770 53.663 52.037 -0.239 0.000 0.627 164 A CB -0.456 18.418 19.000 -0.211 0.000 0.818 164 A HN 0.095 nan 8.150 nan 0.000 0.445 165 R N -0.558 119.755 120.500 -0.312 0.000 2.090 165 R HA -0.018 4.315 4.340 -0.011 0.000 0.228 165 R C 1.870 177.996 176.300 -0.289 0.000 1.110 165 R CA 1.374 57.324 56.100 -0.251 0.000 0.973 165 R CB -0.842 29.347 30.300 -0.185 0.000 0.869 165 R HN 0.436 nan 8.270 nan 0.000 0.440 166 L N 0.747 121.741 121.223 -0.382 0.000 2.012 166 L HA -0.142 4.191 4.340 -0.011 0.000 0.210 166 L C 1.222 177.731 176.870 -0.602 0.000 1.073 166 L CA 2.142 56.658 54.840 -0.541 0.000 0.748 166 L CB -0.778 40.842 42.059 -0.733 0.000 0.891 166 L HN 0.294 nan 8.230 nan 0.000 0.431 167 N N -0.722 117.665 118.700 -0.522 0.000 2.104 167 N HA -0.237 4.496 4.740 -0.011 0.000 0.190 167 N C 1.811 177.139 175.510 -0.303 0.000 1.024 167 N CA 1.453 54.263 53.050 -0.400 0.000 0.853 167 N CB -0.221 38.104 38.487 -0.269 0.000 1.008 167 N HN 0.494 nan 8.380 nan 0.000 0.424 168 E N 0.732 120.774 120.200 -0.264 0.000 2.058 168 E HA -0.237 4.106 4.350 -0.011 0.000 0.194 168 E C 0.976 177.445 176.600 -0.218 0.000 0.997 168 E CA 1.224 57.504 56.400 -0.200 0.000 0.801 168 E CB 0.066 29.672 29.700 -0.156 0.000 0.746 168 E HN 0.322 nan 8.360 nan 0.000 0.450 169 D N 0.193 120.416 120.400 -0.296 0.000 2.178 169 D HA -0.122 4.511 4.640 -0.011 0.000 0.202 169 D C 2.129 178.232 176.300 -0.328 0.000 0.974 169 D CA 0.617 54.432 54.000 -0.308 0.000 0.841 169 D CB -0.036 40.412 40.800 -0.587 0.000 0.953 169 D HN 0.243 nan 8.370 nan 0.000 0.478 170 L N 0.510 121.472 121.223 -0.435 0.000 2.093 170 L HA -0.131 4.202 4.340 -0.011 0.000 0.208 170 L C 2.482 179.260 176.870 -0.152 0.000 1.085 170 L CA 0.841 55.512 54.840 -0.280 0.000 0.755 170 L CB -0.351 41.525 42.059 -0.305 0.000 0.904 170 L HN -0.021 nan 8.230 nan 0.000 0.435 171 S N -0.252 115.346 115.700 -0.170 0.000 2.474 171 S HA -0.062 4.401 4.470 -0.011 0.000 0.235 171 S C 1.778 176.288 174.600 -0.149 0.000 0.997 171 S CA 0.827 58.947 58.200 -0.133 0.000 0.949 171 S CB -0.116 63.006 63.200 -0.130 0.000 0.766 171 S HN 0.362 nan 8.310 nan 0.000 0.517 172 I N -1.081 119.373 120.570 -0.194 0.000 2.729 172 I HA 0.163 4.327 4.170 -0.011 0.000 0.256 172 I C 1.285 177.162 176.117 -0.400 0.000 1.115 172 I CA 0.789 61.880 61.300 -0.348 0.000 1.446 172 I CB -0.050 37.639 38.000 -0.518 0.000 1.176 172 I HN 0.262 nan 8.210 nan 0.000 0.446 173 F N 0.482 120.417 119.950 -0.025 0.000 2.731 173 F HA 0.349 4.869 4.527 -0.011 0.000 0.298 173 F C 1.718 177.524 175.800 0.011 0.000 1.106 173 F CA 0.435 58.455 58.000 0.033 0.000 1.329 173 F CB 0.102 39.187 39.000 0.141 0.000 1.100 173 F HN 0.144 nan 8.300 nan 0.000 0.592 174 G N 1.744 110.614 108.800 0.116 0.000 2.583 174 G HA2 -0.422 3.532 3.960 -0.011 0.000 0.292 174 G HA3 -0.422 3.532 3.960 -0.011 0.000 0.292 174 G C 0.403 175.332 174.900 0.048 0.000 1.203 174 G CA 0.560 45.692 45.100 0.053 0.000 0.987 174 G HN 0.376 nan 8.290 nan 0.000 0.554 175 D N 0.770 121.177 120.400 0.011 0.000 2.325 175 D HA 0.117 4.750 4.640 -0.011 0.000 0.234 175 D C 1.699 177.897 176.300 -0.170 0.000 1.122 175 D CA 0.282 54.236 54.000 -0.076 0.000 0.850 175 D CB -0.188 40.587 40.800 -0.043 0.000 0.921 175 D HN 0.594 nan 8.370 nan 0.000 0.513 176 R N -0.420 120.064 120.500 -0.027 0.000 2.466 176 R HA 0.199 4.533 4.340 -0.011 0.000 0.279 176 R C -0.464 175.795 176.300 -0.067 0.000 0.976 176 R CA -0.411 55.697 56.100 0.014 0.000 1.081 176 R CB 0.041 30.453 30.300 0.186 0.000 1.215 176 R HN 0.112 nan 8.270 nan 0.000 0.546 177 F N 0.835 120.579 119.950 -0.345 0.000 2.427 177 F HA 0.417 4.937 4.527 -0.012 0.000 0.346 177 F C -0.714 174.789 175.800 -0.496 0.000 1.120 177 F CA -0.977 56.845 58.000 -0.297 0.000 1.033 177 F CB 0.664 39.587 39.000 -0.129 0.000 1.126 177 F HN -0.231 nan 8.300 nan 0.000 0.462 178 F N 5.555 125.150 119.950 -0.591 0.000 2.561 178 F HA 0.478 4.998 4.527 -0.011 0.000 0.321 178 F C -0.432 175.122 175.800 -0.409 0.000 1.065 178 F CA -1.172 56.637 58.000 -0.319 0.000 0.934 178 F CB 1.410 40.273 39.000 -0.227 0.000 1.215 178 F HN 0.074 nan 8.300 nan 0.000 0.471 179 I N 1.862 122.479 120.570 0.078 0.000 2.379 179 I HA 0.095 4.258 4.170 -0.011 0.000 0.290 179 I C 0.243 176.383 176.117 0.039 0.000 1.063 179 I CA -0.043 61.308 61.300 0.085 0.000 1.351 179 I CB 0.444 38.563 38.000 0.198 0.000 1.410 179 I HN 0.680 nan 8.210 nan 0.000 0.505 180 E N 7.070 127.263 120.200 -0.011 0.000 2.229 180 E HA 0.406 4.749 4.350 -0.011 0.000 0.283 180 E C -0.946 175.641 176.600 -0.022 0.000 1.030 180 E CA -0.382 56.002 56.400 -0.027 0.000 0.836 180 E CB 0.956 30.646 29.700 -0.017 0.000 1.068 180 E HN 0.471 nan 8.360 nan 0.000 0.401 181 I N 5.605 126.118 120.570 -0.095 0.000 2.411 181 I HA 0.155 4.318 4.170 -0.011 0.000 0.284 181 I C -0.428 175.540 176.117 -0.247 0.000 1.012 181 I CA -0.531 60.657 61.300 -0.188 0.000 1.119 181 I CB 1.365 39.155 38.000 -0.350 0.000 1.261 181 I HN 0.523 nan 8.210 nan 0.000 0.448 182 Q N 4.962 124.641 119.800 -0.202 0.000 2.413 182 Q HA 0.606 4.939 4.340 -0.011 0.000 0.276 182 Q C -1.294 174.514 176.000 -0.321 0.000 1.099 182 Q CA -1.101 54.537 55.803 -0.275 0.000 0.814 182 Q CB 2.925 31.550 28.738 -0.187 0.000 1.379 182 Q HN 0.465 nan 8.270 nan 0.000 0.436 183 N N 0.427 118.832 118.700 -0.492 0.000 2.500 183 N HA 0.331 5.065 4.740 -0.011 0.000 0.291 183 N C -1.964 173.184 175.510 -0.604 0.000 1.092 183 N CA -0.084 52.726 53.050 -0.400 0.000 0.890 183 N CB 1.254 39.618 38.487 -0.205 0.000 1.466 183 N HN 0.689 nan 8.380 nan 0.000 0.507 184 H N 0.394 119.378 119.070 -0.144 0.000 2.810 184 H HA 0.429 4.979 4.556 -0.010 0.000 0.316 184 H C 1.355 176.642 175.328 -0.068 0.000 1.426 184 H CA -0.585 55.357 56.048 -0.176 0.000 1.413 184 H CB 0.903 30.471 29.762 -0.324 0.000 1.874 184 H HN 0.555 nan 8.280 nan 0.000 0.737 185 G N 0.110 108.963 108.800 0.087 0.000 2.564 185 G HA2 -0.126 3.827 3.960 -0.011 0.000 0.216 185 G HA3 -0.126 3.827 3.960 -0.011 0.000 0.216 185 G C 0.263 175.208 174.900 0.074 0.000 1.124 185 G CA 0.247 45.388 45.100 0.068 0.000 0.764 185 G HN 0.305 nan 8.290 nan 0.000 0.550 186 L N 1.298 122.578 121.223 0.095 0.000 2.499 186 L HA 0.095 4.428 4.340 -0.011 0.000 0.273 186 L C -0.641 176.273 176.870 0.074 0.000 1.195 186 L CA -1.246 53.648 54.840 0.090 0.000 0.882 186 L CB 0.961 43.089 42.059 0.115 0.000 1.133 186 L HN 0.021 nan 8.230 nan 0.000 0.483 187 P HA -0.106 nan 4.420 nan 0.000 0.221 187 P C 0.794 178.127 177.300 0.055 0.000 1.150 187 P CA 1.000 64.133 63.100 0.054 0.000 0.800 187 P CB 0.379 32.106 31.700 0.045 0.000 0.787 188 E N 0.163 120.398 120.200 0.059 0.000 2.152 188 E HA -0.138 4.206 4.350 -0.011 0.000 0.192 188 E C 2.316 178.958 176.600 0.069 0.000 0.983 188 E CA 0.908 57.343 56.400 0.058 0.000 0.818 188 E CB -0.600 29.133 29.700 0.055 0.000 0.758 188 E HN 0.320 nan 8.360 nan 0.000 0.467 189 Q N 0.523 120.370 119.800 0.079 0.000 2.170 189 Q HA -0.143 4.190 4.340 -0.011 0.000 0.203 189 Q C 2.037 178.094 176.000 0.096 0.000 0.976 189 Q CA 1.146 56.999 55.803 0.084 0.000 0.858 189 Q CB 0.022 28.806 28.738 0.077 0.000 0.907 189 Q HN 0.088 nan 8.270 nan 0.000 0.433 190 K N 0.929 121.382 120.400 0.089 0.000 2.026 190 K HA -0.219 4.095 4.320 -0.011 0.000 0.208 190 K C 2.020 178.668 176.600 0.079 0.000 1.048 190 K CA 1.343 57.685 56.287 0.092 0.000 0.929 190 K CB -0.032 32.508 32.500 0.066 0.000 0.713 190 K HN -0.004 nan 8.250 nan 0.000 0.439 191 K N 0.473 120.910 120.400 0.061 0.000 2.057 191 K HA -0.089 4.225 4.320 -0.011 0.000 0.206 191 K C 2.026 178.657 176.600 0.051 0.000 1.050 191 K CA 1.101 57.416 56.287 0.046 0.000 0.935 191 K CB 0.072 32.596 32.500 0.040 0.000 0.715 191 K HN 0.003 nan 8.250 nan 0.000 0.439 192 V N 2.210 122.166 119.914 0.070 0.000 2.270 192 V HA -0.252 3.861 4.120 -0.011 0.000 0.245 192 V C 1.996 178.147 176.094 0.095 0.000 1.043 192 V CA 1.879 64.226 62.300 0.079 0.000 1.014 192 V CB -0.617 31.261 31.823 0.091 0.000 0.645 192 V HN 0.389 nan 8.190 nan 0.000 0.447 193 N N 0.015 118.796 118.700 0.135 0.000 2.104 193 N HA -0.219 4.514 4.740 -0.011 0.000 0.190 193 N C 1.895 177.543 175.510 0.231 0.000 1.024 193 N CA 1.655 54.838 53.050 0.223 0.000 0.853 193 N CB -0.455 38.227 38.487 0.325 0.000 1.008 193 N HN 0.648 nan 8.380 nan 0.000 0.424 194 Q N 0.784 120.666 119.800 0.135 0.000 2.096 194 Q HA -0.107 4.226 4.340 -0.011 0.000 0.204 194 Q C 1.605 177.599 176.000 -0.010 0.000 0.982 194 Q CA 1.399 57.229 55.803 0.044 0.000 0.850 194 Q CB 0.127 28.869 28.738 0.007 0.000 0.901 194 Q HN 0.138 nan 8.270 nan 0.000 0.422 195 V N 0.916 120.801 119.914 -0.049 0.000 2.591 195 V HA -0.191 3.922 4.120 -0.011 0.000 0.249 195 V C 2.349 178.278 176.094 -0.275 0.000 1.053 195 V CA 0.923 63.098 62.300 -0.207 0.000 1.068 195 V CB -0.345 31.342 31.823 -0.227 0.000 0.689 195 V HN 0.371 nan 8.190 nan 0.000 0.462 196 L N -0.041 121.160 121.223 -0.037 0.000 2.046 196 L HA -0.237 4.097 4.340 -0.011 0.000 0.208 196 L C 2.587 179.564 176.870 0.177 0.000 1.077 196 L CA 1.926 56.840 54.840 0.123 0.000 0.747 196 L CB -0.534 41.635 42.059 0.184 0.000 0.896 196 L HN 0.313 nan 8.230 nan 0.000 0.432 197 K N 0.281 120.783 120.400 0.170 0.000 2.063 197 K HA -0.222 4.092 4.320 -0.011 0.000 0.208 197 K C 1.921 178.604 176.600 0.138 0.000 1.048 197 K CA 1.599 58.005 56.287 0.199 0.000 0.928 197 K CB 0.053 32.648 32.500 0.160 0.000 0.713 197 K HN 0.340 nan 8.250 nan 0.000 0.442 198 E N -0.429 119.799 120.200 0.046 0.000 2.077 198 E HA -0.171 4.172 4.350 -0.011 0.000 0.193 198 E C 1.936 178.659 176.600 0.204 0.000 0.989 198 E CA 1.298 57.723 56.400 0.042 0.000 0.800 198 E CB -0.161 29.490 29.700 -0.081 0.000 0.746 198 E HN 0.363 nan 8.360 nan 0.000 0.452 199 F N 0.846 120.900 119.950 0.173 0.000 2.134 199 F HA -0.185 4.335 4.527 -0.012 0.000 0.299 199 F C 2.571 178.533 175.800 0.270 0.000 1.097 199 F CA 0.282 58.432 58.000 0.249 0.000 1.264 199 F CB -0.089 39.034 39.000 0.206 0.000 1.001 199 F HN 0.080 nan 8.300 nan 0.000 0.479 200 A N 0.320 123.385 122.820 0.410 0.000 2.019 200 A HA -0.164 4.150 4.320 -0.011 0.000 0.219 200 A C 2.077 179.809 177.584 0.245 0.000 1.164 200 A CA 1.305 53.526 52.037 0.306 0.000 0.644 200 A CB -0.479 18.680 19.000 0.265 0.000 0.805 200 A HN 0.339 nan 8.150 nan 0.000 0.449 201 R N -1.080 119.549 120.500 0.215 0.000 2.189 201 R HA 0.084 4.418 4.340 -0.011 0.000 0.203 201 R C 2.141 178.507 176.300 0.110 0.000 1.012 201 R CA 0.935 57.121 56.100 0.143 0.000 1.015 201 R CB -0.101 30.262 30.300 0.105 0.000 0.938 201 R HN 0.512 nan 8.270 nan 0.000 0.472 202 K N 0.203 120.685 120.400 0.137 0.000 2.116 202 K HA -0.073 4.241 4.320 -0.011 0.000 0.203 202 K C 0.773 177.279 176.600 -0.157 0.000 1.052 202 K CA 1.182 57.462 56.287 -0.011 0.000 0.952 202 K CB 0.220 32.722 32.500 0.003 0.000 0.729 202 K HN 0.134 nan 8.250 nan 0.000 0.446 203 Y N -0.096 120.255 120.300 0.084 0.000 2.458 203 Y HA 0.243 4.786 4.550 -0.011 0.000 0.256 203 Y C 0.746 176.672 175.900 0.044 0.000 1.159 203 Y CA 0.288 58.413 58.100 0.042 0.000 1.261 203 Y CB 1.074 39.542 38.460 0.014 0.000 1.119 203 Y HN 0.240 nan 8.280 nan 0.000 0.524 204 G N 1.121 110.021 108.800 0.167 0.000 2.370 204 G HA2 -0.266 3.688 3.960 -0.011 0.000 0.295 204 G HA3 -0.266 3.688 3.960 -0.011 0.000 0.295 204 G C 0.222 175.198 174.900 0.127 0.000 1.045 204 G CA 0.236 45.410 45.100 0.124 0.000 1.199 204 G HN 0.319 nan 8.290 nan 0.000 0.513 205 L N 0.301 121.618 121.223 0.157 0.000 2.470 205 L HA 0.532 4.865 4.340 -0.011 0.000 0.219 205 L C 1.782 178.722 176.870 0.117 0.000 1.071 205 L CA 1.614 56.527 54.840 0.121 0.000 0.850 205 L CB -0.246 41.920 42.059 0.178 0.000 1.040 205 L HN 1.812 nan 8.230 nan 0.000 0.475 206 G N 0.875 109.786 108.800 0.185 0.000 3.396 206 G HA2 -0.246 3.707 3.960 -0.011 0.000 0.682 206 G HA3 -0.246 3.707 3.960 -0.011 0.000 0.682 206 G C -0.341 174.746 174.900 0.311 0.000 0.924 206 G CA -0.287 44.966 45.100 0.256 0.000 0.770 206 G HN 0.043 nan 8.290 nan 0.000 0.484 207 M N 1.159 120.895 119.600 0.226 0.000 2.277 207 M HA 0.597 5.071 4.480 -0.011 0.000 0.350 207 M C 0.387 176.730 176.300 0.072 0.000 1.180 207 M CA -0.657 54.738 55.300 0.159 0.000 1.103 207 M CB 1.941 34.631 32.600 0.151 0.000 1.577 207 M HN 0.360 nan 8.290 nan 0.000 0.459 208 V N 2.340 122.244 119.914 -0.018 0.000 2.531 208 V HA 0.665 4.778 4.120 -0.011 0.000 0.301 208 V C -0.263 175.746 176.094 -0.142 0.000 1.034 208 V CA -1.096 61.124 62.300 -0.133 0.000 0.865 208 V CB 1.614 33.274 31.823 -0.271 0.000 0.995 208 V HN 0.945 nan 8.190 nan 0.000 0.424 209 A N 3.901 126.628 122.820 -0.155 0.000 2.363 209 A HA 0.824 5.138 4.320 -0.011 0.000 0.270 209 A C 0.401 177.952 177.584 -0.055 0.000 1.121 209 A CA 0.155 52.086 52.037 -0.177 0.000 0.800 209 A CB 0.498 19.299 19.000 -0.332 0.000 1.052 209 A HN 1.084 nan 8.150 nan 0.000 0.493 210 T N -0.986 113.533 114.554 -0.058 0.000 2.812 210 T HA 0.572 4.916 4.350 -0.011 0.000 0.294 210 T C -0.312 174.376 174.700 -0.020 0.000 1.159 210 T CA -0.389 61.739 62.100 0.046 0.000 1.008 210 T CB 1.633 70.537 68.868 0.060 0.000 1.289 210 T HN 0.781 nan 8.240 nan 0.000 0.514 211 N N 0.457 119.200 118.700 0.072 0.000 2.390 211 N HA 0.044 4.778 4.740 -0.011 0.000 0.259 211 N C -0.056 175.544 175.510 0.151 0.000 1.395 211 N CA -0.289 52.755 53.050 -0.011 0.000 0.852 211 N CB -0.237 38.140 38.487 -0.183 0.000 1.371 211 N HN 0.731 nan 8.380 nan 0.000 0.491 212 N N 0.566 119.298 118.700 0.054 0.000 2.671 212 N HA -0.127 4.606 4.740 -0.011 0.000 0.261 212 N C -0.004 175.677 175.510 0.285 0.000 1.053 212 N CA 1.047 54.083 53.050 -0.023 0.000 0.732 212 N CB -1.371 37.122 38.487 0.010 0.000 0.887 212 N HN 0.614 nan 8.380 nan 0.000 0.546 213 G N -0.253 108.633 108.800 0.143 0.000 2.544 213 G HA2 0.278 4.231 3.960 -0.011 0.000 0.242 213 G HA3 0.278 4.231 3.960 -0.011 0.000 0.242 213 G C 0.490 175.383 174.900 -0.012 0.000 1.247 213 G CA -0.070 45.055 45.100 0.042 0.000 0.840 213 G HN 0.688 nan 8.290 nan 0.000 0.578 214 H N -0.722 118.245 119.070 -0.171 0.000 3.771 214 H HA 0.206 4.756 4.556 -0.010 0.000 0.260 214 H C -0.604 174.703 175.328 -0.036 0.000 1.158 214 H CA 0.105 56.093 56.048 -0.100 0.000 1.170 214 H CB 0.689 30.313 29.762 -0.230 0.000 1.539 214 H HN 0.638 nan 8.280 nan 0.000 0.634 215 Y N -3.141 117.178 120.300 0.032 0.000 2.638 215 Y HA 0.524 5.067 4.550 -0.012 0.000 0.339 215 Y C 0.598 176.519 175.900 0.035 0.000 1.084 215 Y CA -1.342 56.759 58.100 0.002 0.000 1.068 215 Y CB 0.322 38.745 38.460 -0.061 0.000 1.294 215 Y HN -0.267 nan 8.280 nan 0.000 0.480 216 V N 0.312 120.310 119.914 0.139 0.000 2.278 216 V HA 0.101 4.214 4.120 -0.011 0.000 0.238 216 V C 0.972 177.013 176.094 -0.089 0.000 1.039 216 V CA 0.919 63.223 62.300 0.007 0.000 1.017 216 V CB -0.408 31.380 31.823 -0.058 0.000 0.657 216 V HN 0.701 nan 8.190 nan 0.000 0.462 217 R N -0.228 120.151 120.500 -0.202 0.000 2.782 217 R HA 0.334 4.668 4.340 -0.011 0.000 0.258 217 R C 1.159 177.297 176.300 -0.271 0.000 1.055 217 R CA -0.672 55.227 56.100 -0.334 0.000 1.065 217 R CB 0.989 30.929 30.300 -0.601 0.000 1.172 217 R HN 0.072 nan 8.270 nan 0.000 0.510 218 K N 1.091 121.071 120.400 -0.700 0.000 2.209 218 K HA -0.177 4.136 4.320 -0.011 0.000 0.204 218 K C 0.828 177.192 176.600 -0.392 0.000 1.048 218 K CA 1.670 57.389 56.287 -0.947 0.000 0.940 218 K CB 0.251 32.085 32.500 -1.110 0.000 0.729 218 K HN 0.413 nan 8.250 nan 0.000 0.451 219 E N 0.693 120.713 120.200 -0.301 0.000 2.268 219 E HA -0.129 4.215 4.350 -0.011 0.000 0.195 219 E C 0.885 177.355 176.600 -0.216 0.000 0.995 219 E CA 1.051 57.321 56.400 -0.217 0.000 0.836 219 E CB 0.086 29.675 29.700 -0.185 0.000 0.763 219 E HN 0.327 nan 8.360 nan 0.000 0.491 220 D N 0.147 120.412 120.400 -0.225 0.000 2.363 220 D HA 0.031 4.664 4.640 -0.011 0.000 0.226 220 D C 1.581 177.557 176.300 -0.541 0.000 1.020 220 D CA 0.678 54.526 54.000 -0.255 0.000 0.892 220 D CB -0.101 40.638 40.800 -0.102 0.000 0.900 220 D HN 0.183 nan 8.370 nan 0.000 0.531 221 A N 1.269 123.695 122.820 -0.656 0.000 1.873 221 A HA -0.247 4.067 4.320 -0.011 0.000 0.218 221 A C 2.212 179.524 177.584 -0.454 0.000 1.193 221 A CA 1.276 52.823 52.037 -0.816 0.000 0.629 221 A CB -0.388 18.396 19.000 -0.360 0.000 0.826 221 A HN 0.097 nan 8.150 nan 0.000 0.447 222 R N -0.991 119.343 120.500 -0.276 0.000 2.092 222 R HA -0.062 4.271 4.340 -0.011 0.000 0.231 222 R C 2.518 178.706 176.300 -0.187 0.000 1.119 222 R CA 1.124 57.110 56.100 -0.189 0.000 0.970 222 R CB -0.467 29.762 30.300 -0.119 0.000 0.864 222 R HN 0.540 nan 8.270 nan 0.000 0.440 223 A N 0.661 123.370 122.820 -0.185 0.000 1.908 223 A HA -0.241 4.072 4.320 -0.011 0.000 0.218 223 A C 2.051 179.530 177.584 -0.174 0.000 1.181 223 A CA 1.658 53.608 52.037 -0.146 0.000 0.627 223 A CB -0.909 18.017 19.000 -0.123 0.000 0.818 223 A HN 0.456 nan 8.150 nan 0.000 0.445 224 H N -0.593 118.265 119.070 -0.352 0.000 2.357 224 H HA -0.083 4.466 4.556 -0.011 0.000 0.301 224 H C 1.997 177.074 175.328 -0.418 0.000 1.082 224 H CA 1.742 57.556 56.048 -0.391 0.000 1.342 224 H CB -0.111 29.322 29.762 -0.548 0.000 1.389 224 H HN 0.676 nan 8.280 nan 0.000 0.511 225 E N 0.574 120.531 120.200 -0.405 0.000 2.153 225 E HA -0.117 4.226 4.350 -0.011 0.000 0.194 225 E C 2.349 178.739 176.600 -0.350 0.000 0.988 225 E CA 1.247 57.408 56.400 -0.399 0.000 0.811 225 E CB 0.140 29.701 29.700 -0.232 0.000 0.746 225 E HN 0.440 nan 8.360 nan 0.000 0.466 226 V N -0.779 118.971 119.914 -0.273 0.000 2.788 226 V HA -0.099 4.014 4.120 -0.011 0.000 0.251 226 V C 2.169 178.135 176.094 -0.215 0.000 1.068 226 V CA 0.873 63.043 62.300 -0.216 0.000 1.090 226 V CB -0.308 31.428 31.823 -0.143 0.000 0.710 226 V HN 0.199 nan 8.190 nan 0.000 0.467 227 L N 0.582 121.639 121.223 -0.277 0.000 2.012 227 L HA -0.093 4.241 4.340 -0.011 0.000 0.210 227 L C 2.356 179.058 176.870 -0.280 0.000 1.073 227 L CA 2.239 56.926 54.840 -0.255 0.000 0.748 227 L CB -0.707 41.175 42.059 -0.295 0.000 0.891 227 L HN 0.334 nan 8.230 nan 0.000 0.431 228 L N -0.492 120.437 121.223 -0.491 0.000 2.127 228 L HA -0.193 4.141 4.340 -0.011 0.000 0.211 228 L C 2.540 179.347 176.870 -0.105 0.000 1.089 228 L CA 1.163 55.724 54.840 -0.464 0.000 0.757 228 L CB -1.024 40.496 42.059 -0.899 0.000 0.899 228 L HN 0.428 nan 8.230 nan 0.000 0.434 229 A N -0.344 122.393 122.820 -0.138 0.000 2.167 229 A HA -0.008 4.305 4.320 -0.011 0.000 0.214 229 A C 2.142 179.712 177.584 -0.023 0.000 1.151 229 A CA 0.821 52.822 52.037 -0.060 0.000 0.735 229 A CB -0.387 18.539 19.000 -0.122 0.000 0.802 229 A HN 0.379 nan 8.150 nan 0.000 0.467 230 I N -1.450 119.104 120.570 -0.027 0.000 2.584 230 I HA -0.145 4.019 4.170 -0.011 0.000 0.255 230 I C 2.529 178.680 176.117 0.056 0.000 1.145 230 I CA 0.779 62.085 61.300 0.009 0.000 1.462 230 I CB -0.029 37.969 38.000 -0.002 0.000 1.102 230 I HN 0.231 nan 8.210 nan 0.000 0.433 231 Q N -0.033 119.825 119.800 0.096 0.000 2.062 231 Q HA -0.088 4.246 4.340 -0.011 0.000 0.196 231 Q C 2.390 178.487 176.000 0.162 0.000 0.967 231 Q CA 1.403 57.307 55.803 0.168 0.000 0.832 231 Q CB -0.281 28.632 28.738 0.293 0.000 0.899 231 Q HN 0.211 nan 8.270 nan 0.000 0.442 232 S N -0.057 115.767 115.700 0.206 0.000 2.474 232 S HA -0.082 4.381 4.470 -0.011 0.000 0.235 232 S C -0.066 174.575 174.600 0.069 0.000 0.997 232 S CA 0.382 58.671 58.200 0.148 0.000 0.949 232 S CB -0.139 63.192 63.200 0.218 0.000 0.766 232 S HN 0.335 nan 8.310 nan 0.000 0.517 233 K N 1.704 122.138 120.400 0.057 0.000 3.419 233 K HA -0.137 4.176 4.320 -0.011 0.000 0.272 233 K C -0.297 176.313 176.600 0.017 0.000 0.973 233 K CA 0.847 57.153 56.287 0.032 0.000 0.749 233 K CB -2.195 30.323 32.500 0.031 0.000 1.403 233 K HN 0.639 nan 8.250 nan 0.000 0.456 234 T N -3.749 110.809 114.554 0.006 0.000 2.838 234 T HA 0.480 4.823 4.350 -0.011 0.000 0.292 234 T C 0.270 174.945 174.700 -0.042 0.000 1.113 234 T CA -0.998 61.096 62.100 -0.009 0.000 1.008 234 T CB 1.713 70.582 68.868 0.001 0.000 1.259 234 T HN 0.013 nan 8.240 nan 0.000 0.520 235 T N 1.502 116.027 114.554 -0.049 0.000 2.828 235 T HA 0.259 4.603 4.350 -0.011 0.000 0.290 235 T C 1.468 176.084 174.700 -0.140 0.000 1.019 235 T CA -0.654 61.392 62.100 -0.091 0.000 1.031 235 T CB 0.650 69.486 68.868 -0.054 0.000 1.001 235 T HN 0.611 nan 8.240 nan 0.000 0.531 236 L N 0.837 121.914 121.223 -0.243 0.000 2.127 236 L HA -0.039 4.295 4.340 -0.011 0.000 0.211 236 L C 0.612 177.405 176.870 -0.128 0.000 1.089 236 L CA 1.638 56.327 54.840 -0.253 0.000 0.757 236 L CB -0.408 41.416 42.059 -0.393 0.000 0.899 236 L HN 0.751 nan 8.230 nan 0.000 0.434 237 D N -1.915 118.433 120.400 -0.088 0.000 2.414 237 D HA 0.158 4.791 4.640 -0.011 0.000 0.232 237 D C -0.067 176.214 176.300 -0.031 0.000 1.070 237 D CA -0.393 53.581 54.000 -0.044 0.000 0.839 237 D CB 1.566 42.352 40.800 -0.024 0.000 1.079 237 D HN 0.078 nan 8.370 nan 0.000 0.521 238 D N 1.717 122.104 120.400 -0.022 0.000 2.845 238 D HA 0.155 4.788 4.640 -0.011 0.000 0.272 238 D C -1.188 175.110 176.300 -0.004 0.000 1.275 238 D CA 0.517 54.510 54.000 -0.011 0.000 1.029 238 D CB -0.312 40.484 40.800 -0.006 0.000 1.131 238 D HN 0.427 nan 8.370 nan 0.000 0.423 239 P HA 0.337 nan 4.420 nan 0.000 0.328 239 P C -0.354 176.952 177.300 0.011 0.000 1.305 239 P CA -0.108 62.995 63.100 0.005 0.000 0.745 239 P CB 0.915 32.620 31.700 0.008 0.000 1.462 240 E N -2.739 117.473 120.200 0.020 0.000 4.223 240 E HA -0.159 4.185 4.350 -0.011 0.000 0.379 240 E C 0.153 176.779 176.600 0.044 0.000 0.610 240 E CA 0.510 56.924 56.400 0.024 0.000 1.397 240 E CB -1.026 28.678 29.700 0.008 0.000 1.803 240 E HN 0.644 nan 8.360 nan 0.000 0.385 241 R N 0.410 120.938 120.500 0.047 0.000 2.640 241 R HA 0.048 4.381 4.340 -0.011 0.000 0.270 241 R C -0.079 176.317 176.300 0.161 0.000 1.024 241 R CA 0.174 56.321 56.100 0.077 0.000 1.085 241 R CB 0.242 30.561 30.300 0.032 0.000 0.963 241 R HN 0.141 nan 8.270 nan 0.000 0.426 242 W N 3.901 125.181 121.300 -0.033 0.000 2.397 242 W HA 0.107 4.765 4.660 -0.005 0.000 0.327 242 W C -0.592 175.924 176.519 -0.006 0.000 1.421 242 W CA -0.487 56.849 57.345 -0.016 0.000 1.288 242 W CB 0.177 29.625 29.460 -0.021 0.000 1.312 242 W HN 0.669 nan 8.180 nan 0.000 0.559 243 R N 4.750 125.378 120.500 0.212 0.000 2.771 243 R HA 0.444 4.778 4.340 -0.011 0.000 0.274 243 R C -0.978 175.443 176.300 0.202 0.000 0.987 243 R CA -1.128 55.006 56.100 0.058 0.000 0.908 243 R CB 1.591 31.936 30.300 0.075 0.000 1.213 243 R HN 0.117 nan 8.270 nan 0.000 0.468 244 F N 2.298 122.158 119.950 -0.150 0.000 2.378 244 F HA 0.285 4.805 4.527 -0.012 0.000 0.319 244 F C -0.777 175.032 175.800 0.015 0.000 1.155 244 F CA -2.024 55.900 58.000 -0.126 0.000 1.157 244 F CB 0.406 39.282 39.000 -0.206 0.000 1.252 244 F HN 0.443 nan 8.300 nan 0.000 0.550 245 P HA 0.003 nan 4.420 nan 0.000 0.223 245 P C -0.068 177.358 177.300 0.211 0.000 1.151 245 P CA 0.954 64.148 63.100 0.157 0.000 0.787 245 P CB 0.095 31.865 31.700 0.117 0.000 0.788 246 C N -2.994 116.511 119.300 0.341 0.000 3.276 246 C HA 0.517 4.971 4.460 -0.011 0.000 0.370 246 C C -0.936 174.280 174.990 0.376 0.000 1.624 246 C CA -0.759 58.422 59.018 0.273 0.000 1.179 246 C CB 0.959 28.804 27.740 0.176 0.000 1.909 246 C HN -0.120 nan 8.230 nan 0.000 0.434 247 D N 0.822 121.388 120.400 0.278 0.000 3.035 247 D HA 0.269 4.902 4.640 -0.011 0.000 0.290 247 D C 0.593 177.140 176.300 0.412 0.000 1.360 247 D CA 0.038 54.239 54.000 0.336 0.000 0.862 247 D CB 0.186 41.087 40.800 0.168 0.000 1.078 247 D HN 0.519 nan 8.370 nan 0.000 0.487 248 E N -0.440 119.928 120.200 0.280 0.000 2.511 248 E HA 0.076 4.420 4.350 -0.011 0.000 0.209 248 E C 0.245 176.773 176.600 -0.119 0.000 0.986 248 E CA -0.164 56.303 56.400 0.112 0.000 0.974 248 E CB 0.264 29.910 29.700 -0.089 0.000 1.030 248 E HN 0.244 nan 8.360 nan 0.000 0.490 249 F N 2.279 122.248 119.950 0.031 0.000 2.666 249 F HA 0.145 4.666 4.527 -0.010 0.000 0.362 249 F C 0.292 175.608 175.800 -0.808 0.000 1.190 249 F CA -0.593 57.219 58.000 -0.313 0.000 1.328 249 F CB -0.821 38.055 39.000 -0.207 0.000 1.682 249 F HN -0.071 nan 8.300 nan 0.000 0.623 250 Y N -3.124 116.939 120.300 -0.396 0.000 2.638 250 Y HA 0.725 5.268 4.550 -0.011 0.000 0.339 250 Y C -0.809 175.022 175.900 -0.116 0.000 1.084 250 Y CA -2.188 55.722 58.100 -0.317 0.000 1.068 250 Y CB 0.624 39.027 38.460 -0.096 0.000 1.294 250 Y HN -0.230 nan 8.280 nan 0.000 0.480 251 V N 3.247 123.176 119.914 0.026 0.000 2.364 251 V HA 0.130 4.243 4.120 -0.011 0.000 0.252 251 V C -0.005 176.218 176.094 0.215 0.000 1.075 251 V CA -0.438 61.800 62.300 -0.103 0.000 1.033 251 V CB -1.119 30.762 31.823 0.096 0.000 1.116 251 V HN 0.628 nan 8.190 nan 0.000 0.488 252 K N 2.705 123.156 120.400 0.085 0.000 2.118 252 K HA 0.401 4.714 4.320 -0.011 0.000 0.264 252 K C 0.498 177.243 176.600 0.243 0.000 1.000 252 K CA -0.505 55.847 56.287 0.109 0.000 0.929 252 K CB 0.901 33.295 32.500 -0.178 0.000 1.021 252 K HN 0.598 nan 8.250 nan 0.000 0.463 253 T N 2.873 117.537 114.554 0.182 0.000 2.930 253 T HA 0.022 4.365 4.350 -0.011 0.000 0.306 253 T C -1.810 172.906 174.700 0.027 0.000 1.045 253 T CA -1.368 60.794 62.100 0.103 0.000 1.134 253 T CB 0.529 69.455 68.868 0.097 0.000 0.961 253 T HN 0.341 nan 8.240 nan 0.000 0.545 254 P HA -0.169 nan 4.420 nan 0.000 0.218 254 P C 1.190 178.524 177.300 0.056 0.000 1.147 254 P CA 1.103 64.225 63.100 0.037 0.000 0.827 254 P CB 0.173 31.954 31.700 0.134 0.000 0.778 255 E N -0.417 119.805 120.200 0.036 0.000 2.046 255 E HA -0.149 4.194 4.350 -0.011 0.000 0.190 255 E C 1.933 178.543 176.600 0.017 0.000 0.982 255 E CA 1.138 57.554 56.400 0.027 0.000 0.800 255 E CB -0.796 28.923 29.700 0.032 0.000 0.756 255 E HN 0.417 nan 8.360 nan 0.000 0.449 256 E N -0.127 120.082 120.200 0.016 0.000 2.204 256 E HA -0.137 4.206 4.350 -0.011 0.000 0.195 256 E C 1.878 178.434 176.600 -0.073 0.000 0.990 256 E CA 0.716 57.117 56.400 0.002 0.000 0.821 256 E CB -0.066 29.659 29.700 0.041 0.000 0.750 256 E HN 0.207 nan 8.360 nan 0.000 0.477 257 M N 0.313 119.828 119.600 -0.142 0.000 2.117 257 M HA -0.106 4.367 4.480 -0.011 0.000 0.262 257 M C 2.111 178.415 176.300 0.007 0.000 1.065 257 M CA 1.240 56.388 55.300 -0.254 0.000 1.114 257 M CB -0.542 31.647 32.600 -0.685 0.000 1.361 257 M HN 0.004 nan 8.290 nan 0.000 0.408 258 R N 0.030 120.595 120.500 0.109 0.000 2.120 258 R HA -0.015 4.318 4.340 -0.011 0.000 0.234 258 R C 2.090 178.406 176.300 0.028 0.000 1.123 258 R CA 1.393 57.526 56.100 0.055 0.000 0.975 258 R CB -0.858 29.401 30.300 -0.069 0.000 0.866 258 R HN 0.416 nan 8.270 nan 0.000 0.446 259 A N 0.386 123.213 122.820 0.011 0.000 2.019 259 A HA -0.114 4.199 4.320 -0.011 0.000 0.219 259 A C 2.009 179.604 177.584 0.018 0.000 1.164 259 A CA 1.197 53.242 52.037 0.015 0.000 0.644 259 A CB -0.165 18.844 19.000 0.015 0.000 0.805 259 A HN 0.096 nan 8.150 nan 0.000 0.449 260 M N -1.186 118.407 119.600 -0.012 0.000 2.394 260 M HA 0.271 4.745 4.480 -0.011 0.000 0.266 260 M C 0.152 176.473 176.300 0.035 0.000 1.098 260 M CA 0.912 56.194 55.300 -0.031 0.000 1.149 260 M CB -0.738 31.773 32.600 -0.149 0.000 1.369 260 M HN 0.214 nan 8.290 nan 0.000 0.450 261 L N 1.266 122.526 121.223 0.062 0.000 2.457 261 L HA 0.365 4.698 4.340 -0.011 0.000 0.252 261 L C -2.373 174.693 176.870 0.328 0.000 1.132 261 L CA -1.722 53.229 54.840 0.184 0.000 0.938 261 L CB 0.789 42.770 42.059 -0.131 0.000 1.246 261 L HN -0.130 nan 8.230 nan 0.000 0.476 262 P HA -0.025 nan 4.420 nan 0.000 0.268 262 P C 0.653 178.020 177.300 0.112 0.000 1.208 262 P CA 0.017 63.200 63.100 0.138 0.000 0.777 262 P CB 1.033 32.782 31.700 0.081 0.000 0.875 263 E N 2.177 122.378 120.200 0.001 0.000 2.072 263 E HA -0.148 4.195 4.350 -0.011 0.000 0.191 263 E C 1.335 177.921 176.600 -0.023 0.000 0.985 263 E CA 0.895 57.275 56.400 -0.034 0.000 0.801 263 E CB -0.343 29.309 29.700 -0.079 0.000 0.750 263 E HN 0.473 nan 8.360 nan 0.000 0.452 264 A N 0.499 123.296 122.820 -0.037 0.000 2.265 264 A HA -0.051 4.262 4.320 -0.011 0.000 0.213 264 A C 1.536 179.059 177.584 -0.102 0.000 1.255 264 A CA 0.601 52.604 52.037 -0.057 0.000 0.862 264 A CB -0.068 18.902 19.000 -0.050 0.000 0.852 264 A HN 0.298 nan 8.150 nan 0.000 0.484 265 E N -2.633 117.483 120.200 -0.139 0.000 2.614 265 E HA 0.014 4.357 4.350 -0.011 0.000 0.201 265 E C 0.719 177.028 176.600 -0.486 0.000 0.889 265 E CA 0.154 56.348 56.400 -0.343 0.000 1.564 265 E CB 0.202 29.647 29.700 -0.425 0.000 1.623 265 E HN 0.711 nan 8.360 nan 0.000 0.898 266 W N 0.951 122.247 121.300 -0.006 0.000 2.871 266 W HA 0.346 4.999 4.660 -0.011 0.000 0.267 266 W C 1.185 177.712 176.519 0.013 0.000 1.180 266 W CA 0.539 57.896 57.345 0.019 0.000 1.463 266 W CB 0.739 30.230 29.460 0.051 0.000 0.966 266 W HN 0.266 nan 8.180 nan 0.000 0.605 267 G N 1.378 110.276 108.800 0.164 0.000 2.642 267 G HA2 -0.294 3.660 3.960 -0.011 0.000 0.231 267 G HA3 -0.294 3.660 3.960 -0.011 0.000 0.231 267 G C 0.162 175.089 174.900 0.045 0.000 1.338 267 G CA 0.255 45.400 45.100 0.076 0.000 0.883 267 G HN 0.134 nan 8.290 nan 0.000 0.570 268 D N 0.289 120.711 120.400 0.036 0.000 2.346 268 D HA 0.073 4.706 4.640 -0.011 0.000 0.206 268 D C 2.191 178.575 176.300 0.140 0.000 1.001 268 D CA 0.935 54.950 54.000 0.025 0.000 0.871 268 D CB 0.143 40.948 40.800 0.008 0.000 0.943 268 D HN 0.670 nan 8.370 nan 0.000 0.518 269 E N 1.076 121.367 120.200 0.151 0.000 2.049 269 E HA -0.177 4.167 4.350 -0.011 0.000 0.198 269 E C -0.767 175.944 176.600 0.186 0.000 1.007 269 E CA 1.193 57.688 56.400 0.158 0.000 0.809 269 E CB -0.886 28.906 29.700 0.154 0.000 0.749 269 E HN 0.241 nan 8.360 nan 0.000 0.450 270 P HA -0.153 nan 4.420 nan 0.000 0.219 270 P C 0.715 178.127 177.300 0.187 0.000 1.146 270 P CA 1.193 64.398 63.100 0.175 0.000 0.808 270 P CB 0.014 31.806 31.700 0.153 0.000 0.779 271 F N -0.488 119.490 119.950 0.047 0.000 2.220 271 F HA -0.014 4.506 4.527 -0.011 0.000 0.290 271 F C 2.050 177.871 175.800 0.036 0.000 1.080 271 F CA 1.040 59.102 58.000 0.104 0.000 1.318 271 F CB -1.163 37.890 39.000 0.088 0.000 1.063 271 F HN -0.155 nan 8.300 nan 0.000 0.498 272 D N 0.143 120.672 120.400 0.216 0.000 2.144 272 D HA -0.167 4.467 4.640 -0.011 0.000 0.199 272 D C 1.682 177.991 176.300 0.014 0.000 0.984 272 D CA 1.247 55.303 54.000 0.094 0.000 0.834 272 D CB -0.628 40.221 40.800 0.083 0.000 0.955 272 D HN 0.332 nan 8.370 nan 0.000 0.465 273 N N -0.506 118.192 118.700 -0.002 0.000 2.309 273 N HA -0.089 4.645 4.740 -0.011 0.000 0.182 273 N C 1.684 177.067 175.510 -0.212 0.000 1.018 273 N CA 1.004 53.997 53.050 -0.096 0.000 0.876 273 N CB 0.079 38.512 38.487 -0.090 0.000 0.972 273 N HN 0.001 nan 8.380 nan 0.000 0.434 274 T N -0.031 114.394 114.554 -0.216 0.000 2.652 274 T HA -0.097 4.246 4.350 -0.011 0.000 0.267 274 T C 1.934 176.455 174.700 -0.299 0.000 1.039 274 T CA 1.007 62.897 62.100 -0.351 0.000 1.153 274 T CB -0.173 68.375 68.868 -0.534 0.000 0.863 274 T HN -0.007 nan 8.240 nan 0.000 0.428 275 V N 1.224 121.017 119.914 -0.201 0.000 2.548 275 V HA -0.044 4.070 4.120 -0.011 0.000 0.249 275 V C 2.615 178.640 176.094 -0.115 0.000 1.055 275 V CA 1.238 63.450 62.300 -0.147 0.000 1.065 275 V CB -0.447 31.328 31.823 -0.081 0.000 0.681 275 V HN 0.347 nan 8.190 nan 0.000 0.462 276 E N 0.375 120.512 120.200 -0.106 0.000 2.046 276 E HA -0.104 4.239 4.350 -0.011 0.000 0.190 276 E C 2.183 178.725 176.600 -0.097 0.000 0.982 276 E CA 1.186 57.541 56.400 -0.075 0.000 0.800 276 E CB -0.173 29.500 29.700 -0.047 0.000 0.756 276 E HN 0.556 nan 8.360 nan 0.000 0.449 277 I N 0.886 121.352 120.570 -0.172 0.000 2.127 277 I HA -0.320 3.843 4.170 -0.011 0.000 0.241 277 I C 2.478 178.518 176.117 -0.129 0.000 1.075 277 I CA 1.311 62.496 61.300 -0.191 0.000 1.334 277 I CB -0.410 37.384 38.000 -0.344 0.000 1.040 277 I HN 0.035 nan 8.210 nan 0.000 0.405 278 A N 0.576 123.308 122.820 -0.147 0.000 1.948 278 A HA -0.291 4.022 4.320 -0.011 0.000 0.220 278 A C 2.436 179.981 177.584 -0.065 0.000 1.177 278 A CA 2.077 54.049 52.037 -0.108 0.000 0.636 278 A CB -0.763 18.157 19.000 -0.134 0.000 0.815 278 A HN 0.422 nan 8.150 nan 0.000 0.449 279 R N -0.978 119.485 120.500 -0.062 0.000 2.066 279 R HA -0.048 4.286 4.340 -0.011 0.000 0.232 279 R C 1.244 177.534 176.300 -0.016 0.000 1.131 279 R CA 1.606 57.685 56.100 -0.035 0.000 0.955 279 R CB -0.234 30.047 30.300 -0.031 0.000 0.851 279 R HN 0.420 nan 8.270 nan 0.000 0.432 280 M N 0.401 119.992 119.600 -0.015 0.000 2.639 280 M HA 0.043 4.517 4.480 -0.011 0.000 0.220 280 M C -0.092 176.219 176.300 0.019 0.000 1.155 280 M CA 0.223 55.528 55.300 0.009 0.000 1.003 280 M CB -0.252 32.361 32.600 0.022 0.000 1.725 280 M HN 0.133 nan 8.290 nan 0.000 0.489 281 C N 1.706 121.012 119.300 0.011 0.000 2.503 281 C HA 0.240 4.693 4.460 -0.011 0.000 0.356 281 C C 0.660 175.678 174.990 0.047 0.000 1.168 281 C CA -1.077 57.958 59.018 0.027 0.000 1.655 281 C CB -0.979 26.766 27.740 0.009 0.000 1.660 281 C HN 0.327 nan 8.230 nan 0.000 0.484 282 D N 2.048 122.482 120.400 0.057 0.000 2.483 282 D HA 0.239 4.872 4.640 -0.011 0.000 0.220 282 D C -0.426 175.933 176.300 0.099 0.000 1.173 282 D CA 0.356 54.396 54.000 0.066 0.000 0.964 282 D CB 0.601 41.433 40.800 0.053 0.000 1.046 282 D HN 0.257 nan 8.370 nan 0.000 0.517 283 V N 3.994 123.979 119.914 0.119 0.000 2.409 283 V HA 0.317 4.431 4.120 -0.011 0.000 0.291 283 V C -0.213 175.967 176.094 0.142 0.000 1.020 283 V CA -0.856 61.532 62.300 0.146 0.000 0.848 283 V CB 1.914 33.820 31.823 0.138 0.000 0.990 283 V HN 0.316 nan 8.190 nan 0.000 0.430 284 D N 4.218 124.664 120.400 0.078 0.000 2.391 284 D HA 0.513 5.146 4.640 -0.011 0.000 0.245 284 D C 0.504 176.647 176.300 -0.262 0.000 1.069 284 D CA -0.376 53.613 54.000 -0.018 0.000 0.831 284 D CB 2.691 43.482 40.800 -0.015 0.000 1.204 284 D HN 0.244 nan 8.370 nan 0.000 0.503 285 L N 1.807 122.666 121.223 -0.607 0.000 2.208 285 L HA 0.227 4.560 4.340 -0.011 0.000 0.196 285 L C -1.623 175.044 176.870 -0.337 0.000 1.130 285 L CA 0.045 54.538 54.840 -0.579 0.000 0.791 285 L CB -0.380 41.115 42.059 -0.939 0.000 0.969 285 L HN 0.358 nan 8.230 nan 0.000 0.468 286 P HA 0.189 nan 4.420 nan 0.000 0.457 286 P C -1.560 175.726 177.300 -0.023 0.000 0.915 286 P CA 0.072 63.145 63.100 -0.045 0.000 1.166 286 P CB 0.246 31.889 31.700 -0.095 0.000 2.763 287 I N 0.796 121.373 120.570 0.011 0.000 2.647 287 I HA 0.651 4.814 4.170 -0.011 0.000 0.295 287 I C 1.346 177.443 176.117 -0.033 0.000 1.078 287 I CA 0.426 61.719 61.300 -0.010 0.000 1.048 287 I CB 2.140 40.153 38.000 0.021 0.000 1.239 287 I HN 0.574 nan 8.210 nan 0.000 0.421 288 G N 4.787 113.557 108.800 -0.050 0.000 2.677 288 G HA2 -0.408 3.545 3.960 -0.011 0.000 0.321 288 G HA3 -0.408 3.545 3.960 -0.011 0.000 0.321 288 G C 0.597 175.467 174.900 -0.050 0.000 1.181 288 G CA 1.075 46.146 45.100 -0.048 0.000 0.965 288 G HN 0.665 nan 8.290 nan 0.000 0.548 289 D N 1.768 122.144 120.400 -0.040 0.000 2.126 289 D HA -0.065 4.569 4.640 -0.011 0.000 0.190 289 D C 2.269 178.545 176.300 -0.041 0.000 1.001 289 D CA 2.167 56.146 54.000 -0.035 0.000 0.841 289 D CB -0.061 40.720 40.800 -0.031 0.000 0.949 289 D HN 0.778 nan 8.370 nan 0.000 0.446 290 K N 0.458 120.832 120.400 -0.043 0.000 2.401 290 K HA 0.070 4.384 4.320 -0.011 0.000 0.176 290 K C 0.782 177.334 176.600 -0.079 0.000 1.109 290 K CA -0.281 55.975 56.287 -0.052 0.000 1.146 290 K CB -0.528 31.946 32.500 -0.044 0.000 1.600 290 K HN 0.205 nan 8.250 nan 0.000 0.474 291 M N 0.581 120.126 119.600 -0.091 0.000 4.046 291 M HA -0.156 4.317 4.480 -0.011 0.000 0.157 291 M C -1.755 174.443 176.300 -0.170 0.000 1.532 291 M CA -0.116 55.101 55.300 -0.140 0.000 1.097 291 M CB -0.422 32.070 32.600 -0.179 0.000 1.346 291 M HN 0.250 nan 8.290 nan 0.000 0.191 292 V N 7.085 126.913 119.914 -0.144 0.000 2.581 292 V HA 0.467 4.581 4.120 -0.011 0.000 0.303 292 V C -0.546 175.477 176.094 -0.118 0.000 1.041 292 V CA -0.539 61.700 62.300 -0.101 0.000 0.907 292 V CB 1.795 33.600 31.823 -0.030 0.000 0.994 292 V HN 0.662 nan 8.190 nan 0.000 0.442 293 Y N 3.139 123.451 120.300 0.019 0.000 2.496 293 Y HA 0.322 4.865 4.550 -0.011 0.000 0.334 293 Y C 0.923 176.851 175.900 0.046 0.000 1.080 293 Y CA -0.018 58.106 58.100 0.040 0.000 1.355 293 Y CB 0.326 38.820 38.460 0.056 0.000 1.193 293 Y HN 0.469 nan 8.280 nan 0.000 0.523 294 R N 4.064 124.686 120.500 0.203 0.000 2.522 294 R HA 0.329 4.663 4.340 -0.011 0.000 0.290 294 R C -1.120 175.281 176.300 0.168 0.000 1.216 294 R CA -0.185 56.005 56.100 0.150 0.000 1.250 294 R CB 0.086 30.449 30.300 0.105 0.000 1.143 294 R HN 0.480 nan 8.270 nan 0.000 0.553 295 I N 3.976 124.655 120.570 0.181 0.000 2.325 295 I HA 0.270 4.434 4.170 -0.011 0.000 0.291 295 I C -1.827 174.390 176.117 0.165 0.000 1.019 295 I CA -2.941 58.472 61.300 0.188 0.000 1.302 295 I CB 0.919 39.046 38.000 0.211 0.000 1.401 295 I HN 0.212 nan 8.210 nan 0.000 0.485 296 P HA 0.203 nan 4.420 nan 0.000 0.269 296 P C -0.137 177.279 177.300 0.194 0.000 1.215 296 P CA -0.316 62.866 63.100 0.137 0.000 0.780 296 P CB 0.606 32.346 31.700 0.066 0.000 0.898 297 R N 1.235 121.852 120.500 0.196 0.000 2.441 297 R HA 0.387 4.720 4.340 -0.011 0.000 0.284 297 R C -0.620 175.874 176.300 0.324 0.000 1.070 297 R CA -0.373 55.865 56.100 0.231 0.000 1.047 297 R CB 0.336 30.734 30.300 0.163 0.000 1.016 297 R HN 0.430 nan 8.270 nan 0.000 0.477 298 F N 5.201 125.271 119.950 0.200 0.000 2.402 298 F HA 0.373 4.894 4.527 -0.011 0.000 0.355 298 F C -1.748 174.158 175.800 0.176 0.000 1.123 298 F CA -2.441 55.705 58.000 0.242 0.000 1.021 298 F CB 1.116 40.274 39.000 0.263 0.000 1.160 298 F HN 0.377 nan 8.300 nan 0.000 0.451 299 P HA 0.272 nan 4.420 nan 0.000 0.268 299 P C -1.363 175.905 177.300 -0.054 0.000 1.205 299 P CA 0.084 63.109 63.100 -0.125 0.000 0.771 299 P CB 1.443 33.009 31.700 -0.223 0.000 0.858 304 R N 0.990 121.502 120.500 0.020 0.000 2.534 304 R HA 0.584 4.918 4.340 -0.011 0.000 0.301 304 R C -0.238 176.109 176.300 0.077 0.000 0.961 304 R CA -0.502 55.623 56.100 0.042 0.000 0.871 304 R CB 1.178 31.470 30.300 -0.013 0.000 1.170 304 R HN 0.200 nan 8.270 nan 0.000 0.446 305 T N 0.643 115.257 114.554 0.101 0.000 2.899 305 T HA 0.069 4.412 4.350 -0.011 0.000 0.295 305 T C 1.436 176.230 174.700 0.156 0.000 1.033 305 T CA -0.595 61.571 62.100 0.110 0.000 1.084 305 T CB 1.492 70.418 68.868 0.097 0.000 0.979 305 T HN 0.530 nan 8.240 nan 0.000 0.532 306 E N 0.869 121.162 120.200 0.154 0.000 2.110 306 E HA -0.154 4.189 4.350 -0.011 0.000 0.193 306 E C 2.192 178.883 176.600 0.152 0.000 0.988 306 E CA 1.046 57.558 56.400 0.187 0.000 0.804 306 E CB -0.175 29.627 29.700 0.171 0.000 0.745 306 E HN 0.762 nan 8.360 nan 0.000 0.458 307 A N 0.389 123.276 122.820 0.111 0.000 2.016 307 A HA -0.141 4.172 4.320 -0.011 0.000 0.217 307 A C 2.024 179.658 177.584 0.083 0.000 1.162 307 A CA 0.983 53.063 52.037 0.073 0.000 0.662 307 A CB -0.263 18.769 19.000 0.054 0.000 0.812 307 A HN 0.282 nan 8.150 nan 0.000 0.450 308 Q N -1.811 118.065 119.800 0.127 0.000 2.083 308 Q HA -0.188 4.145 4.340 -0.011 0.000 0.198 308 Q C 1.893 178.014 176.000 0.202 0.000 0.969 308 Q CA 1.579 57.475 55.803 0.155 0.000 0.838 308 Q CB -0.274 28.554 28.738 0.150 0.000 0.900 308 Q HN 0.701 nan 8.270 nan 0.000 0.436 309 Y N 0.868 121.207 120.300 0.065 0.000 2.242 309 Y HA -0.198 4.346 4.550 -0.011 0.000 0.291 309 Y C 1.885 177.793 175.900 0.014 0.000 1.137 309 Y CA 1.047 59.184 58.100 0.063 0.000 1.181 309 Y CB -0.372 38.147 38.460 0.099 0.000 0.989 309 Y HN 0.240 nan 8.280 nan 0.000 0.527 310 L N 0.655 121.831 121.223 -0.079 0.000 2.046 310 L HA -0.162 4.172 4.340 -0.011 0.000 0.208 310 L C 2.386 179.104 176.870 -0.253 0.000 1.077 310 L CA 1.650 56.358 54.840 -0.221 0.000 0.747 310 L CB -0.676 41.289 42.059 -0.157 0.000 0.896 310 L HN 0.066 nan 8.230 nan 0.000 0.432 311 R N -0.333 120.067 120.500 -0.167 0.000 2.080 311 R HA -0.187 4.146 4.340 -0.011 0.000 0.236 311 R C 2.203 178.365 176.300 -0.230 0.000 1.137 311 R CA 1.847 57.797 56.100 -0.250 0.000 0.943 311 R CB -0.549 29.766 30.300 0.026 0.000 0.846 311 R HN 0.523 nan 8.270 nan 0.000 0.431 312 E N 0.680 120.906 120.200 0.043 0.000 2.086 312 E HA -0.243 4.100 4.350 -0.011 0.000 0.205 312 E C 2.090 178.691 176.600 0.001 0.000 1.027 312 E CA 1.539 58.025 56.400 0.143 0.000 0.830 312 E CB -0.189 29.659 29.700 0.248 0.000 0.751 312 E HN 0.267 nan 8.360 nan 0.000 0.456 313 L N 0.329 121.444 121.223 -0.181 0.000 2.191 313 L HA -0.164 4.170 4.340 -0.011 0.000 0.212 313 L C 2.514 179.272 176.870 -0.187 0.000 1.103 313 L CA 1.063 55.776 54.840 -0.211 0.000 0.769 313 L CB -0.333 41.502 42.059 -0.373 0.000 0.908 313 L HN 0.193 nan 8.230 nan 0.000 0.438 314 T N -0.591 113.785 114.554 -0.297 0.000 2.812 314 T HA -0.110 4.234 4.350 -0.011 0.000 0.264 314 T C 1.599 176.161 174.700 -0.230 0.000 1.042 314 T CA 1.273 63.168 62.100 -0.342 0.000 1.140 314 T CB -0.331 68.212 68.868 -0.541 0.000 0.870 314 T HN 0.171 nan 8.240 nan 0.000 0.445 315 F N 0.953 120.892 119.950 -0.018 0.000 2.186 315 F HA 0.109 4.629 4.527 -0.011 0.000 0.299 315 F C 2.146 177.984 175.800 0.063 0.000 1.090 315 F CA 0.481 58.481 58.000 -0.001 0.000 1.307 315 F CB -0.478 38.412 39.000 -0.182 0.000 1.019 315 F HN 0.040 nan 8.300 nan 0.000 0.489 316 L N -0.314 121.015 121.223 0.177 0.000 2.201 316 L HA -0.098 4.235 4.340 -0.011 0.000 0.212 316 L C 2.634 179.565 176.870 0.101 0.000 1.105 316 L CA 1.129 56.053 54.840 0.140 0.000 0.775 316 L CB -0.980 41.131 42.059 0.085 0.000 0.913 316 L HN 0.244 nan 8.230 nan 0.000 0.440 317 G N -0.301 108.525 108.800 0.042 0.000 2.396 317 G HA2 -0.132 3.821 3.960 -0.011 0.000 0.214 317 G HA3 -0.132 3.821 3.960 -0.011 0.000 0.214 317 G C 1.593 176.484 174.900 -0.016 0.000 1.166 317 G CA 0.116 45.195 45.100 -0.036 0.000 0.793 317 G HN 0.177 nan 8.290 nan 0.000 0.533 318 L N -0.030 121.255 121.223 0.103 0.000 2.042 318 L HA -0.012 4.322 4.340 -0.011 0.000 0.210 318 L C 2.788 179.764 176.870 0.176 0.000 1.076 318 L CA 0.574 55.533 54.840 0.198 0.000 0.749 318 L CB -0.367 41.902 42.059 0.350 0.000 0.893 318 L HN 0.171 nan 8.230 nan 0.000 0.432 319 L N -0.383 120.972 121.223 0.220 0.000 2.079 319 L HA -0.244 4.089 4.340 -0.011 0.000 0.210 319 L C 2.857 179.764 176.870 0.061 0.000 1.081 319 L CA 1.407 56.344 54.840 0.162 0.000 0.752 319 L CB -0.173 42.043 42.059 0.261 0.000 0.896 319 L HN 0.226 nan 8.230 nan 0.000 0.433 320 R N -1.312 119.198 120.500 0.016 0.000 2.153 320 R HA -0.106 4.227 4.340 -0.011 0.000 0.218 320 R C 2.238 178.459 176.300 -0.132 0.000 1.072 320 R CA 0.701 56.771 56.100 -0.050 0.000 0.990 320 R CB -0.076 30.183 30.300 -0.070 0.000 0.889 320 R HN 0.181 nan 8.270 nan 0.000 0.452 321 R N -0.399 119.974 120.500 -0.211 0.000 2.112 321 R HA 0.032 4.365 4.340 -0.011 0.000 0.216 321 R C -0.053 175.891 176.300 -0.594 0.000 1.080 321 R CA 1.059 56.868 56.100 -0.484 0.000 0.996 321 R CB 0.427 30.318 30.300 -0.681 0.000 0.902 321 R HN 0.114 nan 8.270 nan 0.000 0.449 322 Y N 0.026 120.317 120.300 -0.014 0.000 2.748 322 Y HA 0.316 4.860 4.550 -0.011 0.000 0.359 322 Y C -1.776 174.097 175.900 -0.046 0.000 1.030 322 Y CA -2.330 55.755 58.100 -0.024 0.000 1.169 322 Y CB 1.590 40.028 38.460 -0.037 0.000 1.127 322 Y HN 0.078 nan 8.280 nan 0.000 0.644 323 P HA -0.153 nan 4.420 nan 0.000 0.218 323 P C 0.510 177.820 177.300 0.016 0.000 1.149 323 P CA 1.578 64.692 63.100 0.024 0.000 0.817 323 P CB 0.619 32.323 31.700 0.008 0.000 0.785 324 D N -0.088 120.326 120.400 0.025 0.000 2.194 324 D HA -0.061 4.573 4.640 -0.011 0.000 0.204 324 D C 2.051 178.332 176.300 -0.031 0.000 0.964 324 D CA 0.890 54.892 54.000 0.004 0.000 0.846 324 D CB 0.018 40.826 40.800 0.013 0.000 0.962 324 D HN 0.432 nan 8.370 nan 0.000 0.490 325 R N -0.097 120.372 120.500 -0.052 0.000 2.419 325 R HA 0.248 4.582 4.340 -0.011 0.000 0.235 325 R C 0.563 176.664 176.300 -0.331 0.000 0.899 325 R CA -0.011 55.989 56.100 -0.166 0.000 1.048 325 R CB 0.869 31.070 30.300 -0.166 0.000 1.182 325 R HN 0.006 nan 8.270 nan 0.000 0.544 326 I N 3.475 123.917 120.570 -0.215 0.000 2.437 326 I HA 0.222 4.386 4.170 -0.011 0.000 0.279 326 I C -0.482 175.524 176.117 -0.185 0.000 1.028 326 I CA -0.488 60.627 61.300 -0.310 0.000 1.142 326 I CB 1.796 39.681 38.000 -0.192 0.000 1.266 326 I HN 0.133 nan 8.210 nan 0.000 0.461 327 T N 0.301 114.756 114.554 -0.166 0.000 2.907 327 T HA 0.414 4.758 4.350 -0.011 0.000 0.290 327 T C 0.833 175.522 174.700 -0.019 0.000 1.066 327 T CA -0.653 61.417 62.100 -0.049 0.000 1.012 327 T CB 2.401 71.273 68.868 0.006 0.000 1.184 327 T HN 0.327 nan 8.240 nan 0.000 0.522 328 E N 0.840 121.085 120.200 0.074 0.000 2.070 328 E HA -0.092 4.252 4.350 -0.011 0.000 0.197 328 E C 2.393 179.068 176.600 0.125 0.000 1.004 328 E CA 2.071 58.557 56.400 0.143 0.000 0.805 328 E CB -0.910 28.860 29.700 0.117 0.000 0.744 328 E HN 0.783 nan 8.360 nan 0.000 0.451 329 A N 0.213 123.088 122.820 0.092 0.000 1.917 329 A HA -0.240 4.073 4.320 -0.011 0.000 0.219 329 A C 2.163 179.806 177.584 0.098 0.000 1.182 329 A CA 1.710 53.797 52.037 0.084 0.000 0.633 329 A CB -0.937 18.108 19.000 0.075 0.000 0.819 329 A HN 0.368 nan 8.150 nan 0.000 0.448 330 F N -0.765 119.153 119.950 -0.053 0.000 2.102 330 F HA -0.188 4.333 4.527 -0.011 0.000 0.298 330 F C 2.191 177.991 175.800 -0.000 0.000 1.105 330 F CA 1.766 59.721 58.000 -0.075 0.000 1.239 330 F CB -0.522 38.370 39.000 -0.179 0.000 0.991 330 F HN 0.363 nan 8.300 nan 0.000 0.474 331 Y N 0.033 120.363 120.300 0.051 0.000 2.181 331 Y HA -0.246 4.298 4.550 -0.011 0.000 0.288 331 Y C 2.692 178.523 175.900 -0.115 0.000 1.146 331 Y CA 1.238 59.302 58.100 -0.060 0.000 1.164 331 Y CB -0.425 38.060 38.460 0.043 0.000 0.982 331 Y HN -0.068 nan 8.280 nan 0.000 0.515 332 R N 0.035 120.596 120.500 0.101 0.000 2.105 332 R HA -0.184 4.149 4.340 -0.011 0.000 0.239 332 R C 2.114 178.395 176.300 -0.032 0.000 1.135 332 R CA 1.438 57.556 56.100 0.029 0.000 0.967 332 R CB -0.209 30.113 30.300 0.037 0.000 0.861 332 R HN 0.317 nan 8.270 nan 0.000 0.442 333 E N 0.250 120.404 120.200 -0.077 0.000 2.077 333 E HA -0.138 4.205 4.350 -0.011 0.000 0.193 333 E C 2.051 178.568 176.600 -0.138 0.000 0.989 333 E CA 1.162 57.495 56.400 -0.112 0.000 0.800 333 E CB 0.019 29.633 29.700 -0.144 0.000 0.746 333 E HN 0.142 nan 8.360 nan 0.000 0.452 334 V N 1.151 120.949 119.914 -0.193 0.000 2.427 334 V HA -0.213 3.900 4.120 -0.011 0.000 0.248 334 V C 2.467 178.506 176.094 -0.093 0.000 1.051 334 V CA 1.153 63.374 62.300 -0.130 0.000 1.048 334 V CB -0.441 31.325 31.823 -0.096 0.000 0.666 334 V HN 0.171 nan 8.190 nan 0.000 0.456 335 L N -0.251 120.918 121.223 -0.089 0.000 2.095 335 L HA -0.023 4.310 4.340 -0.011 0.000 0.204 335 L C 2.631 179.445 176.870 -0.094 0.000 1.080 335 L CA 1.207 55.982 54.840 -0.108 0.000 0.759 335 L CB -0.631 41.377 42.059 -0.085 0.000 0.914 335 L HN 0.183 nan 8.230 nan 0.000 0.439 336 R N 1.214 121.672 120.500 -0.070 0.000 2.316 336 R HA -0.050 4.284 4.340 -0.011 0.000 0.202 336 R C 1.285 177.549 176.300 -0.060 0.000 1.029 336 R CA 0.794 56.860 56.100 -0.057 0.000 1.018 336 R CB -0.145 30.131 30.300 -0.040 0.000 0.888 336 R HN 0.380 nan 8.270 nan 0.000 0.471 337 L N 1.328 122.507 121.223 -0.072 0.000 2.737 337 L HA 0.298 4.632 4.340 -0.011 0.000 0.236 337 L C -0.064 176.751 176.870 -0.091 0.000 1.219 337 L CA 0.076 54.878 54.840 -0.064 0.000 1.021 337 L CB 0.154 42.184 42.059 -0.049 0.000 1.291 337 L HN 0.059 nan 8.230 nan 0.000 0.470 347 E N 2.122 122.368 120.200 0.076 0.000 2.028 347 E HA -0.210 4.133 4.350 -0.011 0.000 0.191 347 E C 1.675 178.333 176.600 0.098 0.000 0.988 347 E CA 0.947 57.410 56.400 0.106 0.000 0.799 347 E CB 0.086 29.850 29.700 0.107 0.000 0.755 347 E HN 0.442 nan 8.360 nan 0.000 0.447 348 R N 0.348 120.897 120.500 0.081 0.000 2.105 348 R HA -0.141 4.192 4.340 -0.011 0.000 0.239 348 R C 2.199 178.533 176.300 0.058 0.000 1.135 348 R CA 1.447 57.593 56.100 0.076 0.000 0.967 348 R CB -0.404 29.942 30.300 0.076 0.000 0.861 348 R HN 0.225 nan 8.270 nan 0.000 0.442 349 A N 1.029 123.877 122.820 0.047 0.000 1.972 349 A HA -0.100 4.214 4.320 -0.011 0.000 0.219 349 A C 2.141 179.730 177.584 0.008 0.000 1.169 349 A CA 1.271 53.326 52.037 0.030 0.000 0.635 349 A CB -0.394 18.623 19.000 0.028 0.000 0.810 349 A HN 0.373 nan 8.150 nan 0.000 0.446 350 L N -1.024 120.200 121.223 0.003 0.000 2.072 350 L HA -0.093 4.240 4.340 -0.011 0.000 0.205 350 L C 3.049 179.826 176.870 -0.155 0.000 1.079 350 L CA 0.952 55.761 54.840 -0.052 0.000 0.752 350 L CB -0.616 41.445 42.059 0.003 0.000 0.906 350 L HN 0.375 nan 8.230 nan 0.000 0.436 351 A N 0.030 122.777 122.820 -0.121 0.000 1.877 351 A HA -0.262 4.051 4.320 -0.011 0.000 0.216 351 A C 2.277 179.877 177.584 0.028 0.000 1.186 351 A CA 1.852 53.838 52.037 -0.085 0.000 0.620 351 A CB -0.610 18.426 19.000 0.060 0.000 0.822 351 A HN 0.443 nan 8.150 nan 0.000 0.443 352 E N -0.330 119.902 120.200 0.052 0.000 2.130 352 E HA -0.202 4.142 4.350 -0.011 0.000 0.196 352 E C 2.093 178.718 176.600 0.041 0.000 0.998 352 E CA 1.201 57.646 56.400 0.075 0.000 0.806 352 E CB -0.225 29.513 29.700 0.063 0.000 0.738 352 E HN 0.583 nan 8.360 nan 0.000 0.459 353 A N 0.495 123.306 122.820 -0.015 0.000 1.872 353 A HA -0.088 4.225 4.320 -0.011 0.000 0.214 353 A C 2.135 179.672 177.584 -0.078 0.000 1.187 353 A CA 0.819 52.829 52.037 -0.045 0.000 0.614 353 A CB -0.551 18.410 19.000 -0.064 0.000 0.826 353 A HN 0.266 nan 8.150 nan 0.000 0.442 354 L N -0.459 120.662 121.223 -0.170 0.000 2.191 354 L HA -0.197 4.137 4.340 -0.011 0.000 0.212 354 L C 2.982 179.843 176.870 -0.016 0.000 1.103 354 L CA 0.910 55.583 54.840 -0.280 0.000 0.769 354 L CB -0.407 41.134 42.059 -0.863 0.000 0.908 354 L HN 0.440 nan 8.230 nan 0.000 0.438 355 A N 0.075 122.983 122.820 0.148 0.000 1.972 355 A HA -0.196 4.117 4.320 -0.011 0.000 0.219 355 A C 2.374 180.092 177.584 0.223 0.000 1.169 355 A CA 1.438 53.675 52.037 0.334 0.000 0.635 355 A CB -0.377 18.791 19.000 0.280 0.000 0.810 355 A HN 0.333 nan 8.150 nan 0.000 0.446 356 R N -0.548 120.021 120.500 0.115 0.000 2.115 356 R HA 0.056 4.389 4.340 -0.011 0.000 0.226 356 R C 0.246 176.567 176.300 0.036 0.000 1.100 356 R CA 0.412 56.552 56.100 0.067 0.000 0.980 356 R CB -0.423 29.890 30.300 0.021 0.000 0.875 356 R HN 0.319 nan 8.270 nan 0.000 0.445 357 V N 3.186 123.092 119.914 -0.014 0.000 2.644 357 V HA -0.145 3.969 4.120 -0.011 0.000 0.303 357 V C 0.719 176.778 176.094 -0.059 0.000 1.058 357 V CA 0.890 63.073 62.300 -0.195 0.000 1.228 357 V CB -0.056 31.431 31.823 -0.560 0.000 0.861 357 V HN 0.256 nan 8.190 nan 0.000 0.484 358 E N 3.843 123.977 120.200 -0.109 0.000 2.312 358 E HA 0.205 4.548 4.350 -0.011 0.000 0.259 358 E C 0.740 177.406 176.600 0.111 0.000 1.122 358 E CA -0.561 55.857 56.400 0.029 0.000 0.922 358 E CB 1.084 30.785 29.700 0.003 0.000 1.109 358 E HN 0.660 nan 8.360 nan 0.000 0.442 359 E N 0.548 120.856 120.200 0.179 0.000 2.285 359 E HA -0.105 4.238 4.350 -0.011 0.000 0.194 359 E C 1.384 178.081 176.600 0.163 0.000 0.997 359 E CA 0.590 57.132 56.400 0.236 0.000 0.845 359 E CB 0.186 29.987 29.700 0.169 0.000 0.782 359 E HN 0.294 nan 8.360 nan 0.000 0.491 360 K N 0.493 120.945 120.400 0.088 0.000 2.155 360 K HA -0.020 4.294 4.320 -0.011 0.000 0.203 360 K C 2.084 178.706 176.600 0.037 0.000 1.052 360 K CA 0.849 57.171 56.287 0.058 0.000 0.948 360 K CB 0.073 32.591 32.500 0.029 0.000 0.728 360 K HN 0.000 nan 8.250 nan 0.000 0.448 361 A N 0.336 123.145 122.820 -0.018 0.000 1.929 361 A HA -0.114 4.200 4.320 -0.011 0.000 0.216 361 A C 1.757 179.296 177.584 -0.075 0.000 1.176 361 A CA 0.692 52.663 52.037 -0.110 0.000 0.628 361 A CB -0.735 18.111 19.000 -0.257 0.000 0.816 361 A HN 0.405 nan 8.150 nan 0.000 0.444 362 W N 0.468 121.780 121.300 0.019 0.000 2.358 362 W HA -0.096 4.558 4.660 -0.011 0.000 0.303 362 W C 1.718 178.259 176.519 0.038 0.000 1.208 362 W CA 1.057 58.418 57.345 0.026 0.000 1.274 362 W CB 0.054 29.532 29.460 0.030 0.000 1.138 362 W HN 0.360 nan 8.180 nan 0.000 0.515 363 E N 0.198 120.564 120.200 0.277 0.000 2.438 363 E HA -0.085 4.259 4.350 -0.011 0.000 0.192 363 E C 0.529 177.213 176.600 0.139 0.000 1.110 363 E CA 0.421 56.938 56.400 0.194 0.000 0.893 363 E CB -0.167 29.622 29.700 0.149 0.000 0.990 363 E HN 0.466 nan 8.360 nan 0.000 0.490 364 E N -0.049 120.226 120.200 0.127 0.000 2.558 364 E HA 0.126 4.469 4.350 -0.011 0.000 0.205 364 E C 1.060 177.711 176.600 0.085 0.000 1.006 364 E CA -0.077 56.370 56.400 0.078 0.000 0.961 364 E CB 0.586 30.307 29.700 0.036 0.000 1.044 364 E HN 0.203 nan 8.360 nan 0.000 0.465 365 L N -0.314 120.992 121.223 0.139 0.000 2.600 365 L HA 0.162 4.496 4.340 -0.011 0.000 0.213 365 L C 2.393 179.344 176.870 0.134 0.000 1.045 365 L CA 0.091 55.015 54.840 0.140 0.000 0.863 365 L CB -0.164 42.022 42.059 0.211 0.000 1.189 365 L HN 0.021 nan 8.230 nan 0.000 0.484 366 R N 2.430 123.031 120.500 0.167 0.000 2.105 366 R HA -0.166 4.168 4.340 -0.011 0.000 0.239 366 R C 1.448 177.789 176.300 0.070 0.000 1.135 366 R CA 1.549 57.729 56.100 0.133 0.000 0.967 366 R CB -0.658 29.760 30.300 0.195 0.000 0.861 366 R HN 0.367 nan 8.270 nan 0.000 0.442 367 K N 1.024 121.466 120.400 0.070 0.000 2.790 367 K HA 0.177 4.490 4.320 -0.011 0.000 0.229 367 K C -0.332 176.289 176.600 0.034 0.000 1.040 367 K CA -0.119 56.194 56.287 0.043 0.000 1.211 367 K CB 0.130 32.656 32.500 0.044 0.000 1.002 367 K HN 0.190 nan 8.250 nan 0.000 0.479 378 W N 3.451 124.689 121.300 -0.103 0.000 2.247 378 W HA 0.222 4.876 4.660 -0.011 0.000 0.394 378 W C 0.933 177.353 176.519 -0.164 0.000 0.939 378 W CA 0.016 57.278 57.345 -0.138 0.000 1.548 378 W CB 0.906 30.264 29.460 -0.171 0.000 1.610 378 W HN 0.270 nan 8.180 nan 0.000 0.336 379 T N 0.982 115.540 114.554 0.006 0.000 2.732 379 T HA 0.363 4.706 4.350 -0.011 0.000 0.287 379 T C 1.476 176.128 174.700 -0.079 0.000 0.993 379 T CA 0.303 62.377 62.100 -0.043 0.000 0.966 379 T CB 1.058 69.893 68.868 -0.056 0.000 1.047 379 T HN 0.387 nan 8.240 nan 0.000 0.527 380 A N 0.983 123.688 122.820 -0.192 0.000 1.877 380 A HA -0.027 4.287 4.320 -0.011 0.000 0.216 380 A C 2.089 179.559 177.584 -0.190 0.000 1.186 380 A CA 2.075 53.834 52.037 -0.464 0.000 0.620 380 A CB -0.974 17.465 19.000 -0.935 0.000 0.822 380 A HN 0.901 nan 8.150 nan 0.000 0.443 381 E N 0.207 120.461 120.200 0.090 0.000 2.110 381 E HA -0.020 4.323 4.350 -0.011 0.000 0.193 381 E C 2.198 178.908 176.600 0.183 0.000 0.988 381 E CA 1.281 57.840 56.400 0.266 0.000 0.804 381 E CB -0.479 29.342 29.700 0.202 0.000 0.745 381 E HN 0.583 nan 8.360 nan 0.000 0.458 382 A N 0.715 123.595 122.820 0.100 0.000 1.902 382 A HA -0.185 4.128 4.320 -0.011 0.000 0.217 382 A C 2.262 180.032 177.584 0.311 0.000 1.181 382 A CA 1.312 53.423 52.037 0.124 0.000 0.623 382 A CB -0.688 18.297 19.000 -0.026 0.000 0.818 382 A HN 0.199 nan 8.150 nan 0.000 0.443 383 I N -0.552 120.158 120.570 0.233 0.000 2.179 383 I HA -0.259 3.904 4.170 -0.011 0.000 0.242 383 I C 2.496 178.705 176.117 0.153 0.000 1.088 383 I CA 1.082 62.454 61.300 0.120 0.000 1.357 383 I CB -0.309 37.603 38.000 -0.148 0.000 1.051 383 I HN 0.326 nan 8.210 nan 0.000 0.409 384 L N -0.012 121.333 121.223 0.204 0.000 1.997 384 L HA -0.349 3.984 4.340 -0.011 0.000 0.216 384 L C 2.808 179.753 176.870 0.124 0.000 1.074 384 L CA 1.713 56.692 54.840 0.232 0.000 0.763 384 L CB -0.849 41.411 42.059 0.336 0.000 0.890 384 L HN 0.442 nan 8.230 nan 0.000 0.434 385 H N 0.008 119.124 119.070 0.078 0.000 2.290 385 H HA -0.244 4.305 4.556 -0.011 0.000 0.298 385 H C 2.416 177.780 175.328 0.061 0.000 1.087 385 H CA 2.368 58.439 56.048 0.038 0.000 1.291 385 H CB 0.161 29.949 29.762 0.044 0.000 1.369 385 H HN 0.159 nan 8.280 nan 0.000 0.492 386 R N 0.866 121.515 120.500 0.247 0.000 2.083 386 R HA -0.103 4.230 4.340 -0.011 0.000 0.237 386 R C 2.517 178.818 176.300 0.001 0.000 1.137 386 R CA 1.895 58.109 56.100 0.190 0.000 0.951 386 R CB -0.848 29.598 30.300 0.244 0.000 0.851 386 R HN 0.311 nan 8.270 nan 0.000 0.434 387 A N 0.573 123.375 122.820 -0.029 0.000 1.883 387 A HA -0.124 4.190 4.320 -0.011 0.000 0.217 387 A C 2.306 179.753 177.584 -0.229 0.000 1.186 387 A CA 1.715 53.674 52.037 -0.129 0.000 0.624 387 A CB -0.727 18.239 19.000 -0.057 0.000 0.822 387 A HN 0.384 nan 8.150 nan 0.000 0.444 388 L N -2.107 118.985 121.223 -0.219 0.000 2.083 388 L HA -0.188 4.145 4.340 -0.011 0.000 0.209 388 L C 2.591 179.280 176.870 -0.301 0.000 1.083 388 L CA 1.659 56.292 54.840 -0.344 0.000 0.752 388 L CB -0.598 41.128 42.059 -0.555 0.000 0.899 388 L HN 0.610 nan 8.230 nan 0.000 0.433 389 Y N 1.109 121.176 120.300 -0.389 0.000 2.133 389 Y HA -0.240 4.303 4.550 -0.011 0.000 0.287 389 Y C 2.461 178.150 175.900 -0.352 0.000 1.134 389 Y CA 1.584 59.489 58.100 -0.325 0.000 1.133 389 Y CB -0.282 38.035 38.460 -0.239 0.000 0.987 389 Y HN 0.166 nan 8.280 nan 0.000 0.502 390 E N 0.211 119.985 120.200 -0.709 0.000 2.058 390 E HA -0.248 4.095 4.350 -0.011 0.000 0.194 390 E C 2.261 178.455 176.600 -0.677 0.000 0.997 390 E CA 1.741 57.420 56.400 -1.201 0.000 0.801 390 E CB -0.449 28.508 29.700 -1.239 0.000 0.746 390 E HN 0.486 nan 8.360 nan 0.000 0.450 391 L N 0.847 121.787 121.223 -0.471 0.000 2.079 391 L HA -0.212 4.122 4.340 -0.011 0.000 0.210 391 L C 2.749 179.474 176.870 -0.242 0.000 1.081 391 L CA 1.143 55.783 54.840 -0.334 0.000 0.752 391 L CB -0.423 41.453 42.059 -0.306 0.000 0.896 391 L HN 0.148 nan 8.230 nan 0.000 0.433 392 S N -0.393 115.152 115.700 -0.258 0.000 2.368 392 S HA -0.144 4.320 4.470 -0.011 0.000 0.225 392 S C 1.930 176.438 174.600 -0.153 0.000 1.030 392 S CA 1.533 59.633 58.200 -0.166 0.000 0.999 392 S CB -0.221 62.899 63.200 -0.133 0.000 0.844 392 S HN 0.190 nan 8.310 nan 0.000 0.459 393 V N 1.909 121.673 119.914 -0.250 0.000 2.323 393 V HA -0.070 4.044 4.120 -0.011 0.000 0.244 393 V C 2.432 178.533 176.094 0.012 0.000 1.041 393 V CA 1.773 64.008 62.300 -0.108 0.000 1.025 393 V CB -0.755 31.029 31.823 -0.066 0.000 0.656 393 V HN 0.490 nan 8.190 nan 0.000 0.451 394 I N 0.013 120.595 120.570 0.020 0.000 2.127 394 I HA -0.281 3.882 4.170 -0.011 0.000 0.241 394 I C 2.690 178.820 176.117 0.022 0.000 1.075 394 I CA 1.871 63.213 61.300 0.070 0.000 1.334 394 I CB -0.396 37.544 38.000 -0.100 0.000 1.040 394 I HN 0.382 nan 8.210 nan 0.000 0.405 395 E N 0.225 120.400 120.200 -0.042 0.000 2.051 395 E HA -0.261 4.083 4.350 -0.011 0.000 0.192 395 E C 2.347 178.917 176.600 -0.050 0.000 0.991 395 E CA 0.946 57.324 56.400 -0.037 0.000 0.799 395 E CB -0.169 29.512 29.700 -0.031 0.000 0.748 395 E HN 0.321 nan 8.360 nan 0.000 0.449 396 R N 0.452 120.925 120.500 -0.045 0.000 2.115 396 R HA -0.069 4.265 4.340 -0.011 0.000 0.230 396 R C 2.037 178.284 176.300 -0.089 0.000 1.111 396 R CA 1.047 57.120 56.100 -0.046 0.000 0.976 396 R CB -0.024 30.263 30.300 -0.021 0.000 0.870 396 R HN 0.210 nan 8.270 nan 0.000 0.445 397 M N -1.045 118.489 119.600 -0.110 0.000 2.558 397 M HA 0.101 4.575 4.480 -0.011 0.000 0.255 397 M C 0.777 176.726 176.300 -0.584 0.000 1.113 397 M CA 0.908 56.072 55.300 -0.226 0.000 1.097 397 M CB 0.638 33.202 32.600 -0.061 0.000 1.426 397 M HN 0.384 nan 8.290 nan 0.000 0.488 398 G N 0.748 109.291 108.800 -0.427 0.000 2.248 398 G HA2 -0.252 3.701 3.960 -0.011 0.000 0.252 398 G HA3 -0.252 3.701 3.960 -0.011 0.000 0.252 398 G C 0.011 174.665 174.900 -0.411 0.000 1.085 398 G CA -0.404 44.465 45.100 -0.385 0.000 0.845 398 G HN 0.565 nan 8.290 nan 0.000 0.494 399 F N -0.411 119.572 119.950 0.055 0.000 2.724 399 F HA 0.213 4.734 4.527 -0.011 0.000 0.310 399 F C -0.223 175.762 175.800 0.308 0.000 1.107 399 F CA -0.789 57.315 58.000 0.173 0.000 1.218 399 F CB 0.755 39.885 39.000 0.216 0.000 1.042 399 F HN 0.164 nan 8.300 nan 0.000 0.540 400 P HA -0.098 nan 4.420 nan 0.000 0.219 400 P C 1.917 179.354 177.300 0.227 0.000 1.150 400 P CA 1.546 64.771 63.100 0.208 0.000 0.814 400 P CB -0.014 31.737 31.700 0.085 0.000 0.787 401 G N -0.520 108.421 108.800 0.235 0.000 2.418 401 G HA2 -0.318 3.636 3.960 -0.011 0.000 0.217 401 G HA3 -0.318 3.636 3.960 -0.011 0.000 0.217 401 G C 1.632 176.650 174.900 0.197 0.000 1.158 401 G CA 0.652 45.875 45.100 0.205 0.000 0.771 401 G HN 0.184 nan 8.290 nan 0.000 0.545 402 Y N 0.857 121.266 120.300 0.182 0.000 2.114 402 Y HA -0.145 4.398 4.550 -0.011 0.000 0.282 402 Y C 2.380 178.275 175.900 -0.008 0.000 1.165 402 Y CA 1.568 59.723 58.100 0.092 0.000 1.148 402 Y CB -0.491 38.015 38.460 0.077 0.000 0.972 402 Y HN 0.180 nan 8.280 nan 0.000 0.504 403 F N -0.445 119.448 119.950 -0.096 0.000 2.146 403 F HA -0.203 4.318 4.527 -0.011 0.000 0.298 403 F C 2.286 177.887 175.800 -0.331 0.000 1.096 403 F CA 1.472 59.337 58.000 -0.224 0.000 1.275 403 F CB -0.753 38.202 39.000 -0.074 0.000 1.008 403 F HN 0.020 nan 8.300 nan 0.000 0.480 404 L N -0.293 120.803 121.223 -0.212 0.000 1.989 404 L HA -0.273 4.061 4.340 -0.011 0.000 0.211 404 L C 2.384 178.819 176.870 -0.725 0.000 1.071 404 L CA 1.447 55.910 54.840 -0.629 0.000 0.749 404 L CB -0.798 40.649 42.059 -1.021 0.000 0.890 404 L HN 0.113 nan 8.230 nan 0.000 0.431 405 I N -0.791 119.476 120.570 -0.506 0.000 2.145 405 I HA -0.334 3.830 4.170 -0.011 0.000 0.244 405 I C 2.431 178.580 176.117 0.054 0.000 1.075 405 I CA 1.482 62.861 61.300 0.133 0.000 1.332 405 I CB -0.396 37.714 38.000 0.183 0.000 1.033 405 I HN 0.051 nan 8.210 nan 0.000 0.410 406 V N 0.662 120.398 119.914 -0.296 0.000 2.307 406 V HA -0.272 3.841 4.120 -0.011 0.000 0.245 406 V C 2.493 178.152 176.094 -0.724 0.000 1.045 406 V CA 2.009 63.900 62.300 -0.683 0.000 1.024 406 V CB -0.895 30.546 31.823 -0.638 0.000 0.651 406 V HN 0.561 nan 8.190 nan 0.000 0.449 407 Q N 0.906 120.479 119.800 -0.378 0.000 2.135 407 Q HA -0.308 4.025 4.340 -0.011 0.000 0.204 407 Q C 1.928 177.849 176.000 -0.131 0.000 0.981 407 Q CA 2.702 58.361 55.803 -0.240 0.000 0.856 407 Q CB -0.519 28.117 28.738 -0.171 0.000 0.902 407 Q HN 0.751 nan 8.270 nan 0.000 0.425 408 D N -0.334 120.065 120.400 -0.001 0.000 2.087 408 D HA -0.223 4.411 4.640 -0.011 0.000 0.192 408 D C 2.070 178.533 176.300 0.272 0.000 0.993 408 D CA 2.118 56.275 54.000 0.261 0.000 0.828 408 D CB -0.521 40.641 40.800 0.602 0.000 0.968 408 D HN 0.550 nan 8.370 nan 0.000 0.448 409 Y N -0.296 120.198 120.300 0.324 0.000 2.373 409 Y HA 0.138 4.681 4.550 -0.010 0.000 0.293 409 Y C 1.973 178.010 175.900 0.229 0.000 1.129 409 Y CA 0.463 58.720 58.100 0.262 0.000 1.226 409 Y CB -0.778 37.940 38.460 0.429 0.000 1.000 409 Y HN 0.071 nan 8.280 nan 0.000 0.549 410 I N 0.842 121.429 120.570 0.028 0.000 2.286 410 I HA -0.232 3.931 4.170 -0.011 0.000 0.245 410 I C 1.597 177.791 176.117 0.128 0.000 1.104 410 I CA 1.206 62.579 61.300 0.121 0.000 1.397 410 I CB -0.384 37.549 38.000 -0.111 0.000 1.072 410 I HN 0.223 nan 8.210 nan 0.000 0.417 411 N N -0.004 118.740 118.700 0.074 0.000 2.331 411 N HA -0.202 4.531 4.740 -0.011 0.000 0.180 411 N C 1.350 176.930 175.510 0.117 0.000 1.019 411 N CA 0.899 53.992 53.050 0.070 0.000 0.881 411 N CB -0.387 38.133 38.487 0.055 0.000 0.972 411 N HN 0.464 nan 8.380 nan 0.000 0.435 412 W N 2.076 123.345 121.300 -0.052 0.000 2.353 412 W HA -0.076 4.577 4.660 -0.011 0.000 0.319 412 W C 2.331 178.842 176.519 -0.013 0.000 1.207 412 W CA 2.377 59.638 57.345 -0.140 0.000 1.291 412 W CB -0.622 28.417 29.460 -0.702 0.000 1.159 412 W HN 0.048 nan 8.180 nan 0.000 0.478 413 A N 0.871 123.811 122.820 0.200 0.000 1.986 413 A HA -0.252 4.062 4.320 -0.011 0.000 0.220 413 A C 2.038 179.600 177.584 -0.037 0.000 1.171 413 A CA 2.055 54.139 52.037 0.079 0.000 0.640 413 A CB -0.780 18.444 19.000 0.373 0.000 0.811 413 A HN 0.474 nan 8.150 nan 0.000 0.451 414 R N -1.320 119.180 120.500 0.001 0.000 2.062 414 R HA -0.080 4.253 4.340 -0.011 0.000 0.231 414 R C 2.258 178.489 176.300 -0.114 0.000 1.136 414 R CA 1.126 57.206 56.100 -0.033 0.000 0.948 414 R CB -0.693 29.596 30.300 -0.018 0.000 0.845 414 R HN 0.510 nan 8.270 nan 0.000 0.430 415 G N -0.176 108.535 108.800 -0.148 0.000 2.807 415 G HA2 -0.153 3.800 3.960 -0.011 0.000 0.207 415 G HA3 -0.153 3.800 3.960 -0.011 0.000 0.207 415 G C 0.557 175.140 174.900 -0.528 0.000 1.151 415 G CA 0.330 45.276 45.100 -0.256 0.000 0.800 415 G HN 0.425 nan 8.290 nan 0.000 0.523 416 H N -0.681 118.099 119.070 -0.483 0.000 2.637 416 H HA 0.237 4.786 4.556 -0.011 0.000 0.245 416 H C 1.526 176.649 175.328 -0.342 0.000 1.190 416 H CA -0.019 55.690 56.048 -0.565 0.000 0.934 416 H CB 0.628 29.656 29.762 -1.225 0.000 1.950 416 H HN 0.313 nan 8.280 nan 0.000 0.614 417 G N 1.583 110.288 108.800 -0.158 0.000 2.273 417 G HA2 -0.265 3.689 3.960 -0.011 0.000 0.280 417 G HA3 -0.265 3.689 3.960 -0.011 0.000 0.280 417 G C -0.071 174.809 174.900 -0.033 0.000 1.047 417 G CA 0.498 45.549 45.100 -0.083 0.000 0.869 417 G HN 0.226 nan 8.290 nan 0.000 0.502 418 V N 0.502 120.407 119.914 -0.016 0.000 2.407 418 V HA 0.527 4.640 4.120 -0.011 0.000 0.291 418 V C 0.742 176.906 176.094 0.116 0.000 1.018 418 V CA -0.534 61.808 62.300 0.069 0.000 0.842 418 V CB 1.712 33.595 31.823 0.099 0.000 0.996 418 V HN 0.385 nan 8.190 nan 0.000 0.426 419 S N 3.527 119.292 115.700 0.109 0.000 2.562 419 S HA 0.441 4.904 4.470 -0.011 0.000 0.281 419 S C -0.112 174.547 174.600 0.099 0.000 1.333 419 S CA -0.237 58.008 58.200 0.075 0.000 1.052 419 S CB 1.061 64.278 63.200 0.028 0.000 0.884 419 S HN 0.515 nan 8.310 nan 0.000 0.506 420 V N 2.711 122.624 119.914 -0.001 0.000 2.531 420 V HA 0.518 4.631 4.120 -0.011 0.000 0.301 420 V C 0.839 176.821 176.094 -0.187 0.000 1.034 420 V CA -0.915 61.303 62.300 -0.136 0.000 0.865 420 V CB 1.549 33.308 31.823 -0.106 0.000 0.995 420 V HN 0.988 nan 8.190 nan 0.000 0.424 421 G N 4.930 113.568 108.800 -0.270 0.000 2.630 421 G HA2 0.259 4.213 3.960 -0.011 0.000 0.236 421 G HA3 0.259 4.213 3.960 -0.011 0.000 0.236 421 G C -0.861 173.937 174.900 -0.171 0.000 1.248 421 G CA -0.525 44.426 45.100 -0.248 0.000 0.844 421 G HN 0.611 nan 8.290 nan 0.000 0.588 422 P HA 0.090 nan 4.420 nan 0.000 0.222 422 P C 0.818 178.103 177.300 -0.024 0.000 1.147 422 P CA 1.499 64.567 63.100 -0.054 0.000 0.790 422 P CB 0.263 31.939 31.700 -0.040 0.000 0.780 423 G N -0.411 108.385 108.800 -0.006 0.000 2.350 423 G HA2 0.381 4.335 3.960 -0.011 0.000 0.304 423 G HA3 0.381 4.335 3.960 -0.011 0.000 0.304 423 G C -1.765 173.270 174.900 0.224 0.000 1.421 423 G CA -0.908 44.215 45.100 0.038 0.000 0.934 423 G HN 0.423 nan 8.290 nan 0.000 0.632 424 R N -0.508 120.125 120.500 0.222 0.000 2.740 424 R HA 0.870 5.204 4.340 -0.011 0.000 0.273 424 R C 0.711 177.108 176.300 0.162 0.000 0.998 424 R CA 0.129 56.472 56.100 0.405 0.000 0.900 424 R CB 1.479 32.055 30.300 0.459 0.000 1.223 424 R HN 2.603 nan 8.270 nan 0.000 0.466 425 G N 0.903 109.719 108.800 0.026 0.000 2.601 425 G HA2 -0.380 3.573 3.960 -0.011 0.000 0.261 425 G HA3 -0.380 3.573 3.960 -0.011 0.000 0.261 425 G C 0.651 175.536 174.900 -0.024 0.000 1.289 425 G CA 0.281 45.289 45.100 -0.154 0.000 0.920 425 G HN 1.367 nan 8.290 nan 0.000 0.571 426 S N -0.186 115.507 115.700 -0.010 0.000 2.500 426 S HA 0.200 4.663 4.470 -0.011 0.000 0.239 426 S C 2.612 177.195 174.600 -0.028 0.000 0.989 426 S CA 1.700 59.928 58.200 0.046 0.000 0.951 426 S CB -0.427 62.850 63.200 0.128 0.000 0.759 426 S HN 2.181 nan 8.310 nan 0.000 0.523 427 A N 2.265 124.996 122.820 -0.147 0.000 1.927 427 A HA 0.068 4.381 4.320 -0.011 0.000 0.220 427 A C 2.472 179.769 177.584 -0.479 0.000 1.185 427 A CA 1.868 53.561 52.037 -0.573 0.000 0.639 427 A CB -1.529 17.294 19.000 -0.296 0.000 0.820 427 A HN 1.048 nan 8.150 nan 0.000 0.451 428 A N -0.806 121.896 122.820 -0.197 0.000 2.248 428 A HA 0.263 4.576 4.320 -0.011 0.000 0.210 428 A C 2.050 179.578 177.584 -0.094 0.000 1.174 428 A CA 1.354 53.323 52.037 -0.114 0.000 0.750 428 A CB -0.984 17.983 19.000 -0.054 0.000 0.780 428 A HN 0.739 nan 8.150 nan 0.000 0.478 429 G N -0.948 107.795 108.800 -0.096 0.000 2.572 429 G HA2 0.125 4.078 3.960 -0.011 0.000 0.216 429 G HA3 0.125 4.078 3.960 -0.011 0.000 0.216 429 G C 0.833 175.798 174.900 0.108 0.000 1.133 429 G CA 0.778 45.887 45.100 0.015 0.000 0.791 429 G HN 0.499 nan 8.290 nan 0.000 0.538 430 S N 0.045 115.775 115.700 0.050 0.000 2.489 430 S HA 0.286 4.750 4.470 -0.011 0.000 0.277 430 S C 1.261 175.942 174.600 0.134 0.000 1.230 430 S CA -0.797 57.560 58.200 0.263 0.000 1.053 430 S CB 1.195 64.578 63.200 0.305 0.000 0.955 430 S HN 0.125 nan 8.310 nan 0.000 0.488 431 L N 7.323 128.609 121.223 0.106 0.000 2.056 431 L HA 0.020 4.354 4.340 -0.011 0.000 0.207 431 L C 2.123 179.039 176.870 0.076 0.000 1.078 431 L CA 1.818 56.708 54.840 0.083 0.000 0.749 431 L CB -0.729 41.334 42.059 0.007 0.000 0.901 431 L HN 0.642 nan 8.230 nan 0.000 0.433 432 V N 0.418 120.321 119.914 -0.019 0.000 2.231 432 V HA -0.395 3.718 4.120 -0.011 0.000 0.248 432 V C 2.845 178.936 176.094 -0.005 0.000 1.054 432 V CA 1.998 64.245 62.300 -0.088 0.000 1.015 432 V CB -1.528 30.162 31.823 -0.223 0.000 0.638 432 V HN 0.652 nan 8.190 nan 0.000 0.444 433 A N -0.967 121.912 122.820 0.098 0.000 1.903 433 A HA -0.346 3.967 4.320 -0.011 0.000 0.219 433 A C 2.181 179.792 177.584 0.045 0.000 1.191 433 A CA 2.627 54.723 52.037 0.098 0.000 0.638 433 A CB -0.945 18.066 19.000 0.018 0.000 0.823 433 A HN 0.693 nan 8.150 nan 0.000 0.451 434 Y N 0.429 120.693 120.300 -0.060 0.000 2.242 434 Y HA -0.006 4.537 4.550 -0.011 0.000 0.291 434 Y C 2.640 178.489 175.900 -0.085 0.000 1.137 434 Y CA 0.971 59.027 58.100 -0.074 0.000 1.181 434 Y CB -0.627 37.799 38.460 -0.057 0.000 0.989 434 Y HN 0.326 nan 8.280 nan 0.000 0.527 435 A N -0.443 122.301 122.820 -0.126 0.000 1.858 435 A HA -0.136 4.178 4.320 -0.011 0.000 0.216 435 A C 1.994 179.443 177.584 -0.225 0.000 1.190 435 A CA 2.121 54.032 52.037 -0.210 0.000 0.617 435 A CB -1.261 17.688 19.000 -0.085 0.000 0.827 435 A HN 0.242 nan 8.150 nan 0.000 0.443 436 V N -0.397 119.419 119.914 -0.163 0.000 3.592 436 V HA 0.290 4.404 4.120 -0.011 0.000 0.272 436 V C 1.683 177.687 176.094 -0.149 0.000 1.228 436 V CA 0.666 62.874 62.300 -0.152 0.000 1.173 436 V CB -1.463 30.276 31.823 -0.141 0.000 0.873 436 V HN 1.163 nan 8.190 nan 0.000 0.476 437 G N 0.589 109.277 108.800 -0.187 0.000 2.153 437 G HA2 -0.322 3.632 3.960 -0.011 0.000 0.252 437 G HA3 -0.322 3.632 3.960 -0.011 0.000 0.252 437 G C 0.688 175.508 174.900 -0.134 0.000 0.994 437 G CA 0.693 45.688 45.100 -0.174 0.000 0.698 437 G HN 0.526 nan 8.290 nan 0.000 0.521 438 I N -0.217 120.279 120.570 -0.124 0.000 2.315 438 I HA 0.005 4.169 4.170 -0.011 0.000 0.248 438 I C 1.607 177.652 176.117 -0.120 0.000 1.117 438 I CA 1.689 62.902 61.300 -0.145 0.000 1.404 438 I CB 0.025 37.941 38.000 -0.139 0.000 1.071 438 I HN 0.263 nan 8.210 nan 0.000 0.419 439 T N -0.102 114.416 114.554 -0.060 0.000 2.887 439 T HA 0.258 4.601 4.350 -0.011 0.000 0.288 439 T C 0.208 174.975 174.700 0.111 0.000 1.021 439 T CA -0.540 61.566 62.100 0.009 0.000 1.000 439 T CB 1.533 70.419 68.868 0.030 0.000 1.034 439 T HN 0.102 nan 8.240 nan 0.000 0.467 440 N N 2.587 121.365 118.700 0.128 0.000 2.433 440 N HA 0.324 5.057 4.740 -0.011 0.000 0.270 440 N C -1.039 174.627 175.510 0.260 0.000 1.354 440 N CA 0.056 53.228 53.050 0.202 0.000 0.889 440 N CB 0.551 39.066 38.487 0.047 0.000 1.285 440 N HN 0.495 nan 8.380 nan 0.000 0.503 441 I N 0.300 120.972 120.570 0.170 0.000 2.498 441 I HA 0.179 4.343 4.170 -0.011 0.000 0.290 441 I C -0.855 174.924 176.117 -0.564 0.000 1.032 441 I CA -0.714 60.559 61.300 -0.044 0.000 1.073 441 I CB 1.925 39.887 38.000 -0.062 0.000 1.251 441 I HN -0.091 nan 8.210 nan 0.000 0.426 442 D N 9.653 129.714 120.400 -0.564 0.000 2.389 442 D HA 0.087 4.720 4.640 -0.011 0.000 0.263 442 D C -1.654 174.398 176.300 -0.413 0.000 1.255 442 D CA -1.897 51.581 54.000 -0.870 0.000 0.914 442 D CB 1.248 41.833 40.800 -0.360 0.000 1.116 442 D HN 0.281 nan 8.370 nan 0.000 0.502 443 P HA -0.096 nan 4.420 nan 0.000 0.222 443 P C 1.160 178.326 177.300 -0.224 0.000 1.153 443 P CA 0.715 63.680 63.100 -0.225 0.000 0.798 443 P CB 0.147 31.740 31.700 -0.177 0.000 0.796 444 L N -3.397 117.569 121.223 -0.429 0.000 2.556 444 L HA 0.389 4.723 4.340 -0.011 0.000 0.226 444 L C 2.705 179.257 176.870 -0.530 0.000 1.089 444 L CA 0.430 54.862 54.840 -0.679 0.000 0.864 444 L CB -1.217 39.834 42.059 -1.680 0.000 1.067 444 L HN -0.297 nan 8.230 nan 0.000 0.477 445 R N 0.742 120.970 120.500 -0.453 0.000 2.070 445 R HA -0.018 4.316 4.340 -0.011 0.000 0.233 445 R C 0.240 176.219 176.300 -0.535 0.000 1.137 445 R CA 1.300 57.106 56.100 -0.491 0.000 0.945 445 R CB -0.200 29.694 30.300 -0.678 0.000 0.845 445 R HN 0.282 nan 8.270 nan 0.000 0.430 446 F N -1.094 118.791 119.950 -0.109 0.000 2.368 446 F HA 0.320 4.840 4.527 -0.011 0.000 0.315 446 F C 1.525 177.281 175.800 -0.074 0.000 1.145 446 F CA -0.534 57.417 58.000 -0.083 0.000 1.095 446 F CB 0.601 39.537 39.000 -0.108 0.000 1.286 446 F HN 0.025 nan 8.300 nan 0.000 0.530 447 G N 1.830 110.701 108.800 0.118 0.000 3.452 447 G HA2 0.301 4.255 3.960 -0.011 0.000 0.258 447 G HA3 0.301 4.255 3.960 -0.011 0.000 0.258 447 G C -0.129 174.800 174.900 0.048 0.000 1.305 447 G CA -0.280 44.865 45.100 0.076 0.000 1.514 447 G HN 0.322 nan 8.290 nan 0.000 0.593 448 L N 0.348 121.594 121.223 0.039 0.000 2.349 448 L HA 0.453 4.787 4.340 -0.011 0.000 0.275 448 L C 0.019 176.932 176.870 0.072 0.000 1.115 448 L CA -0.447 54.408 54.840 0.025 0.000 0.820 448 L CB 1.323 43.380 42.059 -0.003 0.000 1.135 448 L HN 0.002 nan 8.230 nan 0.000 0.445 449 L N 2.476 123.756 121.223 0.095 0.000 2.333 449 L HA 0.252 4.585 4.340 -0.011 0.000 0.280 449 L C 0.572 177.572 176.870 0.216 0.000 1.004 449 L CA -0.512 54.426 54.840 0.164 0.000 0.820 449 L CB 1.854 43.998 42.059 0.142 0.000 1.247 449 L HN 0.515 nan 8.230 nan 0.000 0.416 450 F N 2.059 122.099 119.950 0.149 0.000 2.171 450 F HA -0.168 4.353 4.527 -0.011 0.000 0.300 450 F C 1.852 177.781 175.800 0.216 0.000 1.090 450 F CA 1.732 59.852 58.000 0.201 0.000 1.293 450 F CB 0.246 39.358 39.000 0.187 0.000 1.013 450 F HN 0.577 nan 8.300 nan 0.000 0.486 451 E N -0.130 120.157 120.200 0.145 0.000 2.268 451 E HA -0.116 4.227 4.350 -0.011 0.000 0.195 451 E C 2.139 178.708 176.600 -0.050 0.000 0.995 451 E CA 0.523 56.933 56.400 0.017 0.000 0.836 451 E CB -0.322 29.480 29.700 0.171 0.000 0.763 451 E HN 0.307 nan 8.360 nan 0.000 0.491 452 R N -0.639 119.864 120.500 0.005 0.000 2.193 452 R HA -0.024 4.309 4.340 -0.011 0.000 0.213 452 R C 1.640 177.937 176.300 -0.004 0.000 1.055 452 R CA 0.498 56.596 56.100 -0.002 0.000 0.995 452 R CB -0.033 30.281 30.300 0.024 0.000 0.893 452 R HN 0.240 nan 8.270 nan 0.000 0.459 453 F N 0.583 120.416 119.950 -0.194 0.000 2.104 453 F HA 0.143 4.664 4.527 -0.011 0.000 0.288 453 F C 0.441 176.075 175.800 -0.276 0.000 1.107 453 F CA 0.842 58.717 58.000 -0.210 0.000 1.208 453 F CB -0.026 38.869 39.000 -0.175 0.000 1.033 453 F HN -0.206 nan 8.300 nan 0.000 0.478 454 L N 1.996 122.753 121.223 -0.777 0.000 2.298 454 L HA 0.261 4.595 4.340 -0.011 0.000 0.284 454 L C -0.604 175.991 176.870 -0.458 0.000 1.013 454 L CA -0.752 53.653 54.840 -0.726 0.000 0.824 454 L CB 0.796 42.403 42.059 -0.754 0.000 1.221 454 L HN 0.102 nan 8.230 nan 0.000 0.418 455 N N 6.176 124.726 118.700 -0.250 0.000 2.401 455 N HA 0.139 4.873 4.740 -0.011 0.000 0.255 455 N C -1.601 173.880 175.510 -0.048 0.000 1.110 455 N CA -1.628 51.355 53.050 -0.111 0.000 0.949 455 N CB 1.477 39.925 38.487 -0.066 0.000 1.110 455 N HN 0.318 nan 8.380 nan 0.000 0.490 456 P HA -0.105 nan 4.420 nan 0.000 0.223 456 P C -0.139 177.198 177.300 0.062 0.000 1.144 456 P CA 1.278 64.420 63.100 0.070 0.000 0.783 456 P CB 0.397 32.190 31.700 0.154 0.000 0.771 457 E N -0.729 119.504 120.200 0.055 0.000 2.451 457 E HA 0.183 4.526 4.350 -0.011 0.000 0.194 457 E C 0.355 176.980 176.600 0.041 0.000 1.027 457 E CA -0.111 56.322 56.400 0.056 0.000 0.914 457 E CB 0.329 30.070 29.700 0.069 0.000 1.054 457 E HN 0.196 nan 8.360 nan 0.000 0.461 458 R N 0.953 121.470 120.500 0.028 0.000 2.512 458 R HA 0.234 4.568 4.340 -0.011 0.000 0.291 458 R C -1.060 175.262 176.300 0.037 0.000 1.097 458 R CA -0.476 55.641 56.100 0.029 0.000 0.940 458 R CB 2.236 32.547 30.300 0.018 0.000 1.198 458 R HN -0.092 nan 8.270 nan 0.000 0.429 459 V N 2.678 122.625 119.914 0.055 0.000 2.377 459 V HA 0.078 4.191 4.120 -0.011 0.000 0.254 459 V C 0.240 176.417 176.094 0.139 0.000 1.060 459 V CA 0.503 62.850 62.300 0.078 0.000 1.068 459 V CB 0.458 32.314 31.823 0.055 0.000 1.113 459 V HN 0.635 nan 8.190 nan 0.000 0.484 460 S N 5.521 121.294 115.700 0.122 0.000 2.548 460 S HA 0.586 5.049 4.470 -0.011 0.000 0.276 460 S C -0.554 174.008 174.600 -0.062 0.000 1.129 460 S CA -0.830 57.430 58.200 0.100 0.000 0.931 460 S CB 1.539 64.749 63.200 0.018 0.000 1.068 460 S HN 0.742 nan 8.310 nan 0.000 0.480 461 M N 6.863 126.395 119.600 -0.113 0.000 2.246 461 M HA 0.344 4.818 4.480 -0.011 0.000 0.350 461 M C -2.113 173.823 176.300 -0.606 0.000 1.406 461 M CA -0.751 54.192 55.300 -0.595 0.000 1.089 461 M CB 0.502 32.895 32.600 -0.344 0.000 1.782 461 M HN 0.396 nan 8.290 nan 0.000 0.457 462 P HA 0.270 nan 4.420 nan 0.000 0.277 462 P C -1.648 175.441 177.300 -0.352 0.000 1.240 462 P CA -0.197 62.531 63.100 -0.620 0.000 0.798 462 P CB 0.723 31.934 31.700 -0.815 0.000 0.979 463 D N 1.096 121.429 120.400 -0.112 0.000 2.303 463 D HA 0.424 5.057 4.640 -0.011 0.000 0.236 463 D C -0.480 175.921 176.300 0.168 0.000 1.068 463 D CA -0.257 53.766 54.000 0.039 0.000 0.830 463 D CB 0.424 41.231 40.800 0.012 0.000 1.109 463 D HN 0.197 nan 8.370 nan 0.000 0.496 464 I N 3.644 124.339 120.570 0.207 0.000 2.371 464 I HA 0.240 4.403 4.170 -0.011 0.000 0.282 464 I C -0.422 175.742 176.117 0.080 0.000 1.031 464 I CA -0.788 60.579 61.300 0.111 0.000 1.180 464 I CB 1.008 38.989 38.000 -0.032 0.000 1.336 464 I HN 0.135 nan 8.210 nan 0.000 0.467 465 D N 4.933 125.373 120.400 0.067 0.000 2.193 465 D HA 0.478 5.112 4.640 -0.011 0.000 0.249 465 D C -0.198 176.104 176.300 0.003 0.000 1.034 465 D CA -0.145 53.900 54.000 0.075 0.000 0.902 465 D CB 2.164 43.026 40.800 0.102 0.000 1.182 465 D HN 0.317 nan 8.370 nan 0.000 0.436 466 T N 0.848 115.374 114.554 -0.047 0.000 2.916 466 T HA 0.280 4.623 4.350 -0.011 0.000 0.298 466 T C -0.824 173.688 174.700 -0.313 0.000 1.031 466 T CA -0.911 61.038 62.100 -0.252 0.000 0.993 466 T CB 1.890 70.494 68.868 -0.441 0.000 1.045 466 T HN 0.136 nan 8.240 nan 0.000 0.454 467 D N 1.771 121.949 120.400 -0.370 0.000 2.177 467 D HA 0.555 5.188 4.640 -0.011 0.000 0.247 467 D C -0.628 175.334 176.300 -0.562 0.000 1.063 467 D CA -0.034 53.797 54.000 -0.281 0.000 0.867 467 D CB 1.254 41.949 40.800 -0.175 0.000 1.168 467 D HN 0.307 nan 8.370 nan 0.000 0.445 468 F N -0.261 119.706 119.950 0.030 0.000 2.611 468 F HA 0.194 4.715 4.527 -0.011 0.000 0.324 468 F C 0.916 176.727 175.800 0.020 0.000 1.061 468 F CA -1.212 56.810 58.000 0.037 0.000 0.954 468 F CB 1.394 40.456 39.000 0.102 0.000 1.301 468 F HN 0.073 nan 8.300 nan 0.000 0.482 469 S N 0.886 116.724 115.700 0.230 0.000 2.575 469 S HA -0.063 4.400 4.470 -0.011 0.000 0.295 469 S C 0.909 175.599 174.600 0.149 0.000 1.267 469 S CA -0.065 58.213 58.200 0.130 0.000 1.074 469 S CB -0.060 63.203 63.200 0.105 0.000 0.829 469 S HN 0.710 nan 8.310 nan 0.000 0.497 470 D N 4.493 124.960 120.400 0.111 0.000 2.263 470 D HA -0.162 4.471 4.640 -0.011 0.000 0.208 470 D C 1.816 178.175 176.300 0.097 0.000 0.971 470 D CA 1.037 55.105 54.000 0.112 0.000 0.867 470 D CB -0.041 40.816 40.800 0.096 0.000 0.929 470 D HN 0.615 nan 8.370 nan 0.000 0.492 471 R N -0.245 120.307 120.500 0.086 0.000 2.073 471 R HA -0.010 4.323 4.340 -0.011 0.000 0.229 471 R C 1.275 177.616 176.300 0.069 0.000 1.120 471 R CA 1.166 57.308 56.100 0.070 0.000 0.967 471 R CB 0.176 30.511 30.300 0.059 0.000 0.862 471 R HN 0.213 nan 8.270 nan 0.000 0.436 472 E N -0.509 119.741 120.200 0.084 0.000 2.460 472 E HA -0.035 4.308 4.350 -0.011 0.000 0.200 472 E C 1.464 178.106 176.600 0.070 0.000 1.011 472 E CA -0.063 56.386 56.400 0.081 0.000 0.912 472 E CB 0.128 29.881 29.700 0.087 0.000 0.953 472 E HN 0.252 nan 8.360 nan 0.000 0.494 473 R N 1.699 122.249 120.500 0.085 0.000 2.113 473 R HA -0.213 4.121 4.340 -0.011 0.000 0.244 473 R C 1.086 177.381 176.300 -0.008 0.000 1.142 473 R CA 2.068 58.195 56.100 0.045 0.000 0.953 473 R CB -0.032 30.362 30.300 0.157 0.000 0.860 473 R HN -0.039 nan 8.270 nan 0.000 0.438 474 D N -0.128 120.280 120.400 0.012 0.000 2.158 474 D HA -0.166 4.468 4.640 -0.011 0.000 0.197 474 D C 2.037 178.329 176.300 -0.014 0.000 0.995 474 D CA 1.222 55.211 54.000 -0.018 0.000 0.846 474 D CB -0.206 40.591 40.800 -0.005 0.000 0.941 474 D HN 0.356 nan 8.370 nan 0.000 0.456 475 R N 0.140 120.667 120.500 0.044 0.000 2.096 475 R HA -0.064 4.270 4.340 -0.011 0.000 0.235 475 R C 2.323 178.696 176.300 0.122 0.000 1.127 475 R CA 0.641 56.812 56.100 0.119 0.000 0.968 475 R CB -0.216 30.213 30.300 0.215 0.000 0.861 475 R HN 0.126 nan 8.270 nan 0.000 0.440 476 V N 1.227 121.188 119.914 0.078 0.000 2.307 476 V HA -0.214 3.899 4.120 -0.011 0.000 0.245 476 V C 2.223 178.289 176.094 -0.046 0.000 1.045 476 V CA 1.643 63.963 62.300 0.035 0.000 1.024 476 V CB -0.405 31.267 31.823 -0.253 0.000 0.651 476 V HN 0.251 nan 8.190 nan 0.000 0.449 477 I N 0.083 120.553 120.570 -0.167 0.000 2.208 477 I HA -0.300 3.864 4.170 -0.011 0.000 0.245 477 I C 2.672 178.655 176.117 -0.223 0.000 1.097 477 I CA 1.765 62.858 61.300 -0.345 0.000 1.363 477 I CB -0.410 37.376 38.000 -0.356 0.000 1.051 477 I HN 0.340 nan 8.210 nan 0.000 0.413 478 Q N 0.590 120.300 119.800 -0.149 0.000 2.124 478 Q HA -0.268 4.065 4.340 -0.011 0.000 0.202 478 Q C 2.084 177.963 176.000 -0.202 0.000 0.977 478 Q CA 1.835 57.556 55.803 -0.137 0.000 0.850 478 Q CB -0.658 28.038 28.738 -0.070 0.000 0.901 478 Q HN 0.594 nan 8.270 nan 0.000 0.429 479 Y N -0.331 119.712 120.300 -0.428 0.000 2.097 479 Y HA -0.237 4.306 4.550 -0.011 0.000 0.282 479 Y C 1.906 177.553 175.900 -0.422 0.000 1.152 479 Y CA 2.068 59.755 58.100 -0.688 0.000 1.136 479 Y CB -0.500 37.121 38.460 -1.398 0.000 0.975 479 Y HN -0.000 nan 8.280 nan 0.000 0.498 480 V N 1.522 121.282 119.914 -0.257 0.000 2.287 480 V HA -0.352 3.761 4.120 -0.011 0.000 0.248 480 V C 2.533 178.533 176.094 -0.156 0.000 1.053 480 V CA 2.332 64.559 62.300 -0.122 0.000 1.027 480 V CB -0.742 31.065 31.823 -0.027 0.000 0.646 480 V HN 0.393 nan 8.190 nan 0.000 0.447 481 R N -0.074 120.316 120.500 -0.183 0.000 2.096 481 R HA -0.244 4.089 4.340 -0.011 0.000 0.240 481 R C 2.292 178.485 176.300 -0.178 0.000 1.139 481 R CA 2.121 58.132 56.100 -0.148 0.000 0.952 481 R CB -0.452 29.763 30.300 -0.141 0.000 0.854 481 R HN 0.640 nan 8.270 nan 0.000 0.436 482 E N -0.211 119.831 120.200 -0.264 0.000 2.072 482 E HA -0.184 4.160 4.350 -0.011 0.000 0.191 482 E C 2.113 178.491 176.600 -0.368 0.000 0.985 482 E CA 0.872 57.104 56.400 -0.281 0.000 0.801 482 E CB -0.025 29.500 29.700 -0.292 0.000 0.750 482 E HN 0.097 nan 8.360 nan 0.000 0.452 483 R N -0.142 120.008 120.500 -0.582 0.000 2.090 483 R HA -0.096 4.237 4.340 -0.011 0.000 0.228 483 R C 1.184 177.057 176.300 -0.713 0.000 1.110 483 R CA 1.421 57.055 56.100 -0.778 0.000 0.973 483 R CB -0.099 29.456 30.300 -1.241 0.000 0.869 483 R HN 0.216 nan 8.270 nan 0.000 0.440 484 Y N -1.128 119.044 120.300 -0.212 0.000 2.449 484 Y HA 0.420 4.963 4.550 -0.011 0.000 0.254 484 Y C 0.415 176.259 175.900 -0.094 0.000 1.140 484 Y CA 0.222 58.252 58.100 -0.116 0.000 1.272 484 Y CB 1.348 39.773 38.460 -0.058 0.000 1.114 484 Y HN 0.263 nan 8.280 nan 0.000 0.525 485 G N 0.780 109.567 108.800 -0.023 0.000 2.885 485 G HA2 -0.179 3.775 3.960 -0.011 0.000 0.685 485 G HA3 -0.179 3.775 3.960 -0.011 0.000 0.685 485 G C -0.196 174.686 174.900 -0.030 0.000 1.216 485 G CA -0.517 44.566 45.100 -0.029 0.000 0.790 485 G HN 0.096 nan 8.290 nan 0.000 0.631 486 E N 0.399 120.571 120.200 -0.045 0.000 2.204 486 E HA -0.084 4.259 4.350 -0.011 0.000 0.195 486 E C 2.086 178.665 176.600 -0.034 0.000 0.990 486 E CA 1.981 58.353 56.400 -0.046 0.000 0.821 486 E CB 0.179 29.853 29.700 -0.045 0.000 0.750 486 E HN 0.623 nan 8.360 nan 0.000 0.477 487 D N -1.007 119.380 120.400 -0.023 0.000 2.339 487 D HA -0.026 4.607 4.640 -0.011 0.000 0.217 487 D C 0.834 177.128 176.300 -0.011 0.000 1.050 487 D CA 0.276 54.265 54.000 -0.019 0.000 0.856 487 D CB 0.148 40.940 40.800 -0.013 0.000 0.922 487 D HN 0.095 nan 8.370 nan 0.000 0.518 488 K N -0.420 119.978 120.400 -0.004 0.000 2.440 488 K HA 0.222 4.536 4.320 -0.011 0.000 0.207 488 K C -0.409 176.190 176.600 -0.003 0.000 1.112 488 K CA -0.028 56.266 56.287 0.011 0.000 1.036 488 K CB 2.320 34.844 32.500 0.040 0.000 0.935 488 K HN -0.079 nan 8.250 nan 0.000 0.564 489 V N 1.490 121.390 119.914 -0.023 0.000 2.444 489 V HA 0.709 4.822 4.120 -0.011 0.000 0.294 489 V C -0.814 175.236 176.094 -0.072 0.000 1.022 489 V CA -0.861 61.407 62.300 -0.052 0.000 0.850 489 V CB 1.395 33.180 31.823 -0.064 0.000 0.992 489 V HN 0.179 nan 8.190 nan 0.000 0.426 490 A N 3.850 126.624 122.820 -0.077 0.000 2.587 490 A HA 0.712 5.025 4.320 -0.011 0.000 0.293 490 A C -0.842 176.689 177.584 -0.089 0.000 1.087 490 A CA -0.777 51.210 52.037 -0.082 0.000 0.692 490 A CB 1.714 20.676 19.000 -0.063 0.000 1.291 490 A HN 0.696 nan 8.150 nan 0.000 0.407 491 Q N 1.690 121.437 119.800 -0.088 0.000 2.678 491 Q HA 0.309 4.643 4.340 -0.011 0.000 0.222 491 Q C -0.508 175.471 176.000 -0.036 0.000 1.281 491 Q CA -0.170 55.594 55.803 -0.064 0.000 0.994 491 Q CB -0.122 28.575 28.738 -0.069 0.000 1.452 491 Q HN 0.608 nan 8.270 nan 0.000 0.570 492 I N 1.501 122.058 120.570 -0.022 0.000 3.372 492 I HA -0.309 3.854 4.170 -0.011 0.000 0.358 492 I C 1.141 177.239 176.117 -0.031 0.000 1.101 492 I CA 0.836 62.128 61.300 -0.012 0.000 1.669 492 I CB 0.071 38.053 38.000 -0.030 0.000 1.191 492 I HN 0.565 nan 8.210 nan 0.000 0.455 493 G N 4.698 113.457 108.800 -0.069 0.000 2.507 493 G HA2 0.602 4.555 3.960 -0.011 0.000 0.271 493 G HA3 0.602 4.555 3.960 -0.011 0.000 0.271 493 G C -0.576 174.089 174.900 -0.392 0.000 1.189 493 G CA -0.352 44.595 45.100 -0.254 0.000 0.859 493 G HN 0.630 nan 8.290 nan 0.000 0.542 494 T N 0.010 114.183 114.554 -0.636 0.000 2.900 494 T HA 0.641 4.984 4.350 -0.011 0.000 0.295 494 T C -0.700 173.512 174.700 -0.813 0.000 1.044 494 T CA -0.250 61.561 62.100 -0.482 0.000 0.995 494 T CB 1.667 70.475 68.868 -0.099 0.000 1.072 494 T HN 0.370 nan 8.240 nan 0.000 0.473 495 F N 0.058 120.045 119.950 0.062 0.000 3.180 495 F HA 0.863 5.383 4.527 -0.012 0.000 0.181 495 F C 0.921 176.746 175.800 0.040 0.000 1.611 495 F CA -0.622 57.399 58.000 0.034 0.000 0.961 495 F CB 0.563 39.597 39.000 0.057 0.000 1.911 495 F HN 0.919 nan 8.300 nan 0.000 0.253 496 G N -0.052 108.922 108.800 0.290 0.000 2.270 496 G HA2 0.388 4.341 3.960 -0.011 0.000 0.295 496 G HA3 0.388 4.341 3.960 -0.011 0.000 0.295 496 G C -1.727 173.225 174.900 0.087 0.000 1.732 496 G CA -0.850 44.340 45.100 0.150 0.000 0.909 496 G HN 0.363 nan 8.290 nan 0.000 0.730 497 S N 0.549 116.291 115.700 0.071 0.000 2.617 497 S HA 0.504 4.967 4.470 -0.011 0.000 0.269 497 S C 0.576 175.198 174.600 0.036 0.000 1.292 497 S CA -0.570 57.655 58.200 0.041 0.000 1.010 497 S CB 1.314 64.541 63.200 0.045 0.000 0.944 497 S HN 0.596 nan 8.310 nan 0.000 0.536 498 L N 2.731 123.966 121.223 0.021 0.000 2.325 498 L HA 0.351 4.684 4.340 -0.011 0.000 0.284 498 L C 0.431 177.318 176.870 0.029 0.000 1.089 498 L CA -0.583 54.270 54.840 0.023 0.000 0.836 498 L CB 0.312 42.377 42.059 0.011 0.000 1.184 498 L HN 0.776 nan 8.230 nan 0.000 0.444 499 A N 3.535 126.377 122.820 0.037 0.000 2.425 499 A HA 0.221 4.535 4.320 -0.011 0.000 0.249 499 A C 1.318 178.924 177.584 0.038 0.000 1.084 499 A CA -0.062 51.999 52.037 0.040 0.000 0.781 499 A CB 0.650 19.677 19.000 0.045 0.000 1.019 499 A HN 0.905 nan 8.150 nan 0.000 0.490 500 S N 1.761 117.485 115.700 0.040 0.000 2.372 500 S HA -0.218 4.245 4.470 -0.011 0.000 0.227 500 S C 1.869 176.498 174.600 0.047 0.000 1.044 500 S CA 2.050 60.276 58.200 0.044 0.000 1.050 500 S CB -0.294 62.938 63.200 0.054 0.000 0.901 500 S HN 0.776 nan 8.310 nan 0.000 0.447 501 K N 1.306 121.732 120.400 0.044 0.000 2.002 501 K HA -0.005 4.308 4.320 -0.011 0.000 0.209 501 K C 2.566 179.189 176.600 0.037 0.000 1.048 501 K CA 1.222 57.532 56.287 0.038 0.000 0.930 501 K CB -0.446 32.073 32.500 0.033 0.000 0.714 501 K HN 0.350 nan 8.250 nan 0.000 0.438 502 A N 1.561 124.405 122.820 0.040 0.000 1.940 502 A HA -0.167 4.146 4.320 -0.011 0.000 0.219 502 A C 2.357 179.966 177.584 0.042 0.000 1.176 502 A CA 1.970 54.032 52.037 0.043 0.000 0.631 502 A CB -0.704 18.323 19.000 0.045 0.000 0.814 502 A HN 0.376 nan 8.150 nan 0.000 0.446 503 A N -0.348 122.494 122.820 0.038 0.000 1.877 503 A HA -0.081 4.232 4.320 -0.011 0.000 0.216 503 A C 2.201 179.810 177.584 0.041 0.000 1.186 503 A CA 1.497 53.555 52.037 0.035 0.000 0.620 503 A CB -0.637 18.379 19.000 0.027 0.000 0.822 503 A HN 0.482 nan 8.150 nan 0.000 0.443 504 L N -0.781 120.467 121.223 0.042 0.000 2.042 504 L HA -0.251 4.083 4.340 -0.011 0.000 0.210 504 L C 2.676 179.572 176.870 0.042 0.000 1.076 504 L CA 1.985 56.851 54.840 0.042 0.000 0.749 504 L CB -0.354 41.729 42.059 0.040 0.000 0.893 504 L HN 0.434 nan 8.230 nan 0.000 0.432 505 K N -0.466 119.958 120.400 0.040 0.000 2.026 505 K HA -0.186 4.127 4.320 -0.011 0.000 0.208 505 K C 1.709 178.347 176.600 0.063 0.000 1.048 505 K CA 1.653 57.967 56.287 0.046 0.000 0.929 505 K CB -0.160 32.369 32.500 0.049 0.000 0.713 505 K HN 0.232 nan 8.250 nan 0.000 0.439 506 D N 0.396 120.832 120.400 0.060 0.000 2.123 506 D HA -0.133 4.501 4.640 -0.011 0.000 0.196 506 D C 1.890 178.231 176.300 0.069 0.000 0.992 506 D CA 0.867 54.902 54.000 0.059 0.000 0.833 506 D CB -0.166 40.663 40.800 0.047 0.000 0.954 506 D HN -0.082 nan 8.370 nan 0.000 0.455 507 V N 0.936 120.901 119.914 0.084 0.000 2.307 507 V HA -0.197 3.917 4.120 -0.011 0.000 0.245 507 V C 2.446 178.670 176.094 0.216 0.000 1.045 507 V CA 1.702 64.089 62.300 0.145 0.000 1.024 507 V CB -0.772 31.132 31.823 0.136 0.000 0.651 507 V HN 0.196 nan 8.190 nan 0.000 0.449 508 A N -0.151 122.753 122.820 0.140 0.000 1.940 508 A HA -0.249 4.065 4.320 -0.011 0.000 0.219 508 A C 2.347 180.011 177.584 0.133 0.000 1.176 508 A CA 1.907 54.021 52.037 0.129 0.000 0.631 508 A CB -0.511 18.526 19.000 0.061 0.000 0.814 508 A HN 0.504 nan 8.150 nan 0.000 0.446 509 R N -0.714 119.847 120.500 0.102 0.000 2.097 509 R HA -0.153 4.181 4.340 -0.011 0.000 0.236 509 R C 2.082 178.421 176.300 0.064 0.000 1.135 509 R CA 1.835 57.984 56.100 0.081 0.000 0.934 509 R CB -0.868 29.472 30.300 0.066 0.000 0.846 509 R HN 0.379 nan 8.270 nan 0.000 0.431 510 V N 0.016 119.956 119.914 0.043 0.000 2.282 510 V HA -0.282 3.831 4.120 -0.011 0.000 0.249 510 V C 1.681 177.712 176.094 -0.104 0.000 1.057 510 V CA 1.790 64.056 62.300 -0.056 0.000 1.032 510 V CB -0.600 31.147 31.823 -0.126 0.000 0.645 510 V HN 0.356 nan 8.190 nan 0.000 0.447 511 Y N 0.705 121.006 120.300 0.001 0.000 2.619 511 Y HA 0.310 4.854 4.550 -0.010 0.000 0.308 511 Y C 1.763 177.665 175.900 0.004 0.000 1.192 511 Y CA 0.574 58.673 58.100 -0.001 0.000 1.319 511 Y CB -0.573 37.885 38.460 -0.003 0.000 1.030 511 Y HN 0.397 nan 8.280 nan 0.000 0.517 512 G N 1.343 110.202 108.800 0.099 0.000 2.314 512 G HA2 -0.301 3.653 3.960 -0.011 0.000 0.292 512 G HA3 -0.301 3.653 3.960 -0.011 0.000 0.292 512 G C -0.188 174.759 174.900 0.079 0.000 1.059 512 G CA 0.007 45.149 45.100 0.070 0.000 0.982 512 G HN 0.382 nan 8.290 nan 0.000 0.505 513 I N 1.506 122.129 120.570 0.088 0.000 2.377 513 I HA 0.302 4.465 4.170 -0.011 0.000 0.293 513 I C -1.439 174.715 176.117 0.062 0.000 0.987 513 I CA -2.463 58.877 61.300 0.067 0.000 1.185 513 I CB 1.639 39.675 38.000 0.060 0.000 1.341 513 I HN -0.018 nan 8.210 nan 0.000 0.455 514 P HA -0.085 nan 4.420 nan 0.000 0.264 514 P C 0.696 178.043 177.300 0.078 0.000 1.193 514 P CA 0.266 63.406 63.100 0.066 0.000 0.763 514 P CB 0.434 32.162 31.700 0.046 0.000 0.810 515 H N 4.596 123.676 119.070 0.017 0.000 2.362 515 H HA -0.216 4.334 4.556 -0.010 0.000 0.294 515 H C 1.126 176.461 175.328 0.012 0.000 1.113 515 H CA 2.398 58.456 56.048 0.017 0.000 1.253 515 H CB 0.275 30.046 29.762 0.015 0.000 1.363 515 H HN 0.399 nan 8.280 nan 0.000 0.494 516 K N 0.438 120.809 120.400 -0.048 0.000 2.002 516 K HA -0.087 4.226 4.320 -0.011 0.000 0.209 516 K C 2.508 179.037 176.600 -0.118 0.000 1.048 516 K CA 1.406 57.633 56.287 -0.101 0.000 0.930 516 K CB 0.024 32.539 32.500 0.025 0.000 0.714 516 K HN 0.275 nan 8.250 nan 0.000 0.438 517 K N 0.452 120.814 120.400 -0.063 0.000 2.283 517 K HA -0.036 4.278 4.320 -0.011 0.000 0.202 517 K C 2.118 178.676 176.600 -0.070 0.000 1.048 517 K CA 0.910 57.164 56.287 -0.055 0.000 0.948 517 K CB 0.011 32.493 32.500 -0.030 0.000 0.742 517 K HN 0.151 nan 8.250 nan 0.000 0.458 518 A N 1.631 124.398 122.820 -0.088 0.000 1.897 518 A HA -0.131 4.182 4.320 -0.011 0.000 0.215 518 A C 1.996 179.508 177.584 -0.119 0.000 1.181 518 A CA 1.036 53.022 52.037 -0.085 0.000 0.620 518 A CB -0.159 18.803 19.000 -0.065 0.000 0.821 518 A HN 0.130 nan 8.150 nan 0.000 0.443 519 E N 0.099 120.173 120.200 -0.210 0.000 2.153 519 E HA -0.180 4.164 4.350 -0.011 0.000 0.194 519 E C 1.809 178.344 176.600 -0.109 0.000 0.988 519 E CA 1.171 57.454 56.400 -0.194 0.000 0.811 519 E CB -0.155 29.364 29.700 -0.302 0.000 0.746 519 E HN 0.755 nan 8.360 nan 0.000 0.466 520 E N 0.014 120.157 120.200 -0.096 0.000 2.152 520 E HA -0.088 4.255 4.350 -0.011 0.000 0.192 520 E C 2.193 178.754 176.600 -0.065 0.000 0.983 520 E CA 0.325 56.683 56.400 -0.069 0.000 0.818 520 E CB 0.064 29.727 29.700 -0.062 0.000 0.758 520 E HN 0.181 nan 8.360 nan 0.000 0.467 521 L N 0.354 121.538 121.223 -0.066 0.000 2.156 521 L HA -0.092 4.242 4.340 -0.011 0.000 0.208 521 L C 2.413 179.254 176.870 -0.049 0.000 1.095 521 L CA 0.878 55.681 54.840 -0.061 0.000 0.770 521 L CB -0.184 41.843 42.059 -0.052 0.000 0.914 521 L HN 0.112 nan 8.230 nan 0.000 0.439 522 A N -0.416 122.379 122.820 -0.042 0.000 2.014 522 A HA -0.139 4.175 4.320 -0.011 0.000 0.218 522 A C 2.167 179.739 177.584 -0.021 0.000 1.163 522 A CA 1.136 53.159 52.037 -0.022 0.000 0.652 522 A CB -0.212 18.775 19.000 -0.021 0.000 0.808 522 A HN 0.286 nan 8.150 nan 0.000 0.449 523 K N -0.362 120.018 120.400 -0.033 0.000 2.487 523 K HA 0.214 4.528 4.320 -0.011 0.000 0.192 523 K C 1.159 177.738 176.600 -0.034 0.000 1.027 523 K CA 0.161 56.431 56.287 -0.028 0.000 1.054 523 K CB -0.105 32.376 32.500 -0.031 0.000 0.824 523 K HN 0.446 nan 8.250 nan 0.000 0.510 524 L N 0.903 122.098 121.223 -0.048 0.000 2.313 524 L HA 0.045 4.379 4.340 -0.011 0.000 0.214 524 L C 0.740 177.578 176.870 -0.053 0.000 1.119 524 L CA 0.324 55.125 54.840 -0.066 0.000 0.809 524 L CB -0.095 41.901 42.059 -0.105 0.000 0.933 524 L HN 0.089 nan 8.230 nan 0.000 0.449 525 I N 0.710 121.264 120.570 -0.027 0.000 2.471 525 I HA 0.150 4.314 4.170 -0.011 0.000 0.286 525 I C -2.045 174.078 176.117 0.011 0.000 1.079 525 I CA -1.975 59.327 61.300 0.005 0.000 1.398 525 I CB 0.068 38.089 38.000 0.036 0.000 1.403 525 I HN -0.198 nan 8.210 nan 0.000 0.530 526 P HA 0.156 nan 4.420 nan 0.000 0.272 526 P C -0.797 176.522 177.300 0.032 0.000 1.223 526 P CA -0.256 62.857 63.100 0.021 0.000 0.784 526 P CB 0.769 32.484 31.700 0.025 0.000 0.923 527 V N 3.024 122.955 119.914 0.029 0.000 2.349 527 V HA 0.153 4.266 4.120 -0.011 0.000 0.284 527 V C 1.170 177.292 176.094 0.047 0.000 1.014 527 V CA -0.090 62.232 62.300 0.036 0.000 0.826 527 V CB 0.789 32.623 31.823 0.019 0.000 1.009 527 V HN 0.644 nan 8.190 nan 0.000 0.431 528 Q N 3.681 123.530 119.800 0.083 0.000 2.373 528 Q HA 0.240 4.573 4.340 -0.011 0.000 0.210 528 Q C 0.057 176.194 176.000 0.229 0.000 0.913 528 Q CA 0.664 56.541 55.803 0.123 0.000 0.911 528 Q CB 0.662 29.469 28.738 0.115 0.000 1.040 528 Q HN 0.501 nan 8.270 nan 0.000 0.521 529 F N 0.291 120.255 119.950 0.023 0.000 3.228 529 F HA 0.456 4.976 4.527 -0.011 0.000 0.390 529 F C 0.606 176.423 175.800 0.030 0.000 1.235 529 F CA 0.238 58.254 58.000 0.027 0.000 1.236 529 F CB 1.291 40.304 39.000 0.021 0.000 1.855 529 F HN 0.262 nan 8.300 nan 0.000 0.647 530 G N 3.011 111.765 108.800 -0.076 0.000 3.639 530 G HA2 -0.327 3.626 3.960 -0.011 0.000 0.224 530 G HA3 -0.327 3.626 3.960 -0.011 0.000 0.224 530 G C 0.476 175.395 174.900 0.032 0.000 1.339 530 G CA 0.503 45.584 45.100 -0.032 0.000 0.933 530 G HN 0.457 nan 8.290 nan 0.000 0.568 531 K N 2.335 122.782 120.400 0.079 0.000 2.098 531 K HA 0.498 4.812 4.320 -0.011 0.000 0.258 531 K C -2.117 174.525 176.600 0.069 0.000 0.973 531 K CA -1.615 54.715 56.287 0.072 0.000 0.898 531 K CB 1.744 34.293 32.500 0.082 0.000 1.057 531 K HN 0.214 nan 8.250 nan 0.000 0.447 532 P HA 0.002 nan 4.420 nan 0.000 0.271 532 P C -0.856 176.479 177.300 0.059 0.000 1.233 532 P CA -0.002 63.130 63.100 0.053 0.000 0.789 532 P CB 0.619 32.347 31.700 0.047 0.000 0.951 533 K N 1.222 121.657 120.400 0.059 0.000 2.098 533 K HA 0.375 4.689 4.320 -0.011 0.000 0.257 533 K C -2.112 174.526 176.600 0.064 0.000 0.999 533 K CA -1.815 54.508 56.287 0.061 0.000 0.924 533 K CB -0.244 32.294 32.500 0.063 0.000 1.028 533 K HN 0.336 nan 8.250 nan 0.000 0.466 534 P HA -0.070 nan 4.420 nan 0.000 0.270 534 P C 0.425 177.766 177.300 0.067 0.000 1.221 534 P CA 0.182 63.305 63.100 0.039 0.000 0.788 534 P CB 0.487 32.195 31.700 0.013 0.000 0.904 535 L N 0.371 121.608 121.223 0.025 0.000 2.072 535 L HA -0.194 4.140 4.340 -0.011 0.000 0.205 535 L C 2.569 179.291 176.870 -0.246 0.000 1.079 535 L CA 1.326 56.166 54.840 0.002 0.000 0.752 535 L CB -0.632 41.360 42.059 -0.112 0.000 0.906 535 L HN 0.394 nan 8.230 nan 0.000 0.436 536 Q N 0.894 120.558 119.800 -0.226 0.000 2.065 536 Q HA -0.285 4.049 4.340 -0.011 0.000 0.213 536 Q C 1.610 177.572 176.000 -0.064 0.000 1.012 536 Q CA 2.248 57.931 55.803 -0.200 0.000 0.876 536 Q CB -0.169 28.502 28.738 -0.111 0.000 0.954 536 Q HN 0.477 nan 8.270 nan 0.000 0.413 537 E N -0.185 120.031 120.200 0.027 0.000 2.223 537 E HA 0.048 4.392 4.350 -0.011 0.000 0.267 537 E C 0.864 177.598 176.600 0.223 0.000 0.857 537 E CA 0.650 57.107 56.400 0.095 0.000 1.467 537 E CB -0.500 29.244 29.700 0.073 0.000 0.965 537 E HN 0.483 nan 8.360 nan 0.000 0.591 538 A N -0.468 122.478 122.820 0.210 0.000 2.411 538 A HA -0.249 4.065 4.320 -0.011 0.000 0.311 538 A C 0.349 178.116 177.584 0.304 0.000 1.431 538 A CA 1.519 53.720 52.037 0.274 0.000 0.971 538 A CB -1.201 17.866 19.000 0.111 0.000 0.964 538 A HN 0.498 nan 8.150 nan 0.000 0.384 539 F N -3.983 115.961 119.950 -0.010 0.000 2.405 539 F HA 0.063 4.583 4.527 -0.011 0.000 0.432 539 F C 1.580 177.374 175.800 -0.011 0.000 0.846 539 F CA 0.336 58.328 58.000 -0.013 0.000 0.820 539 F CB -0.308 38.683 39.000 -0.015 0.000 1.191 539 F HN 0.160 nan 8.300 nan 0.000 0.569 540 E N 0.890 121.199 120.200 0.182 0.000 2.042 540 E HA 0.127 4.471 4.350 -0.011 0.000 0.189 540 E C 2.201 178.830 176.600 0.049 0.000 0.974 540 E CA 1.212 57.664 56.400 0.088 0.000 0.806 540 E CB -0.375 29.368 29.700 0.072 0.000 0.769 540 E HN 0.266 nan 8.360 nan 0.000 0.451 541 A N 1.113 123.964 122.820 0.053 0.000 2.067 541 A HA -0.079 4.234 4.320 -0.011 0.000 0.217 541 A C 1.013 178.593 177.584 -0.006 0.000 1.156 541 A CA 0.644 52.695 52.037 0.025 0.000 0.683 541 A CB 0.027 19.047 19.000 0.034 0.000 0.808 541 A HN 0.025 nan 8.150 nan 0.000 0.455 542 E N -0.506 119.675 120.200 -0.033 0.000 2.186 542 E HA 0.432 4.776 4.350 -0.011 0.000 0.255 542 E C -2.386 174.151 176.600 -0.105 0.000 0.881 542 E CA -2.623 53.728 56.400 -0.082 0.000 0.752 542 E CB 1.426 31.051 29.700 -0.125 0.000 1.176 542 E HN -0.005 nan 8.360 nan 0.000 0.421 543 P HA -0.089 nan 4.420 nan 0.000 0.223 543 P C 0.211 177.457 177.300 -0.090 0.000 1.144 543 P CA 1.006 64.067 63.100 -0.064 0.000 0.783 543 P CB 0.398 32.072 31.700 -0.043 0.000 0.771 544 E N -1.244 118.886 120.200 -0.117 0.000 2.452 544 E HA 0.124 4.468 4.350 -0.011 0.000 0.197 544 E C 0.936 177.418 176.600 -0.195 0.000 1.022 544 E CA 0.063 56.387 56.400 -0.127 0.000 0.890 544 E CB -0.018 29.621 29.700 -0.101 0.000 0.918 544 E HN 0.287 nan 8.360 nan 0.000 0.496 545 L N 1.878 122.917 121.223 -0.306 0.000 2.888 545 L HA 0.121 4.454 4.340 -0.011 0.000 0.237 545 L C 1.532 178.035 176.870 -0.612 0.000 1.288 545 L CA 0.006 54.497 54.840 -0.581 0.000 1.110 545 L CB 0.105 41.633 42.059 -0.885 0.000 1.441 545 L HN 0.005 nan 8.230 nan 0.000 0.474 546 R N -1.571 118.775 120.500 -0.257 0.000 2.636 546 R HA 0.298 4.632 4.340 -0.011 0.000 0.259 546 R C 0.834 177.104 176.300 -0.049 0.000 0.970 546 R CA 0.866 56.912 56.100 -0.090 0.000 1.107 546 R CB -0.222 30.056 30.300 -0.037 0.000 1.687 546 R HN 0.019 nan 8.270 nan 0.000 0.527 547 A N 1.172 123.947 122.820 -0.075 0.000 1.969 547 A HA 0.191 4.505 4.320 -0.011 0.000 0.205 547 A C 1.837 179.389 177.584 -0.052 0.000 1.364 547 A CA 0.840 52.847 52.037 -0.050 0.000 0.756 547 A CB -0.330 18.641 19.000 -0.049 0.000 0.988 547 A HN 0.254 nan 8.150 nan 0.000 0.490 548 E N 0.562 120.718 120.200 -0.074 0.000 2.081 548 E HA -0.337 4.006 4.350 -0.011 0.000 0.235 548 E C 1.770 178.341 176.600 -0.048 0.000 1.043 548 E CA 2.732 59.092 56.400 -0.067 0.000 0.924 548 E CB -0.596 29.049 29.700 -0.092 0.000 0.821 548 E HN 0.470 nan 8.360 nan 0.000 0.517 549 M N -0.675 118.898 119.600 -0.044 0.000 2.220 549 M HA -0.386 4.087 4.480 -0.011 0.000 0.243 549 M C 2.118 178.407 176.300 -0.018 0.000 1.057 549 M CA 2.357 57.646 55.300 -0.018 0.000 1.039 549 M CB -0.839 31.774 32.600 0.022 0.000 1.369 549 M HN 0.204 nan 8.290 nan 0.000 0.391 550 E N 0.354 120.543 120.200 -0.018 0.000 2.118 550 E HA -0.132 4.211 4.350 -0.011 0.000 0.195 550 E C 1.787 178.376 176.600 -0.018 0.000 0.992 550 E CA 1.413 57.803 56.400 -0.016 0.000 0.804 550 E CB -0.099 29.591 29.700 -0.016 0.000 0.741 550 E HN 0.513 nan 8.360 nan 0.000 0.458 551 K N 0.105 120.491 120.400 -0.023 0.000 1.965 551 K HA -0.070 4.244 4.320 -0.011 0.000 0.214 551 K C 0.568 177.155 176.600 -0.021 0.000 1.046 551 K CA 1.227 57.501 56.287 -0.022 0.000 0.944 551 K CB -0.171 32.313 32.500 -0.026 0.000 0.726 551 K HN 0.030 nan 8.250 nan 0.000 0.441 552 D N 0.243 120.628 120.400 -0.025 0.000 2.193 552 D HA 0.067 4.700 4.640 -0.011 0.000 0.244 552 D C 0.190 176.471 176.300 -0.032 0.000 1.064 552 D CA -0.022 53.962 54.000 -0.026 0.000 0.845 552 D CB 1.425 42.208 40.800 -0.028 0.000 1.148 552 D HN 0.056 nan 8.370 nan 0.000 0.464 553 E N 2.082 122.265 120.200 -0.028 0.000 2.274 553 E HA -0.085 4.258 4.350 -0.011 0.000 0.194 553 E C 1.555 178.120 176.600 -0.058 0.000 0.996 553 E CA 0.230 56.609 56.400 -0.034 0.000 0.840 553 E CB 0.418 30.106 29.700 -0.020 0.000 0.772 553 E HN 0.319 nan 8.360 nan 0.000 0.491 554 R N 0.612 121.077 120.500 -0.057 0.000 2.083 554 R HA -0.114 4.220 4.340 -0.011 0.000 0.237 554 R C 2.255 178.447 176.300 -0.181 0.000 1.137 554 R CA 1.069 57.112 56.100 -0.095 0.000 0.951 554 R CB -0.442 29.834 30.300 -0.040 0.000 0.851 554 R HN 0.267 nan 8.270 nan 0.000 0.434 555 I N 0.115 120.613 120.570 -0.119 0.000 2.676 555 I HA -0.155 4.008 4.170 -0.011 0.000 0.259 555 I C 2.398 178.453 176.117 -0.103 0.000 1.194 555 I CA 0.600 61.831 61.300 -0.116 0.000 1.473 555 I CB -0.250 37.709 38.000 -0.067 0.000 1.096 555 I HN 0.074 nan 8.210 nan 0.000 0.443 556 R N 0.862 121.309 120.500 -0.088 0.000 2.094 556 R HA -0.211 4.122 4.340 -0.011 0.000 0.239 556 R C 2.332 178.574 176.300 -0.095 0.000 1.137 556 R CA 1.726 57.789 56.100 -0.061 0.000 0.943 556 R CB -0.396 29.875 30.300 -0.048 0.000 0.850 556 R HN 0.497 nan 8.270 nan 0.000 0.433 557 Q N 0.108 119.804 119.800 -0.173 0.000 1.967 557 Q HA -0.147 4.187 4.340 -0.011 0.000 0.202 557 Q C 2.321 178.161 176.000 -0.267 0.000 0.985 557 Q CA 1.797 57.463 55.803 -0.228 0.000 0.839 557 Q CB -0.346 28.189 28.738 -0.339 0.000 0.906 557 Q HN 0.158 nan 8.270 nan 0.000 0.423 558 V N 1.567 121.224 119.914 -0.427 0.000 2.277 558 V HA -0.338 3.776 4.120 -0.011 0.000 0.255 558 V C 2.236 178.273 176.094 -0.096 0.000 1.074 558 V CA 2.088 64.209 62.300 -0.299 0.000 1.058 558 V CB -0.656 31.018 31.823 -0.250 0.000 0.656 558 V HN 0.351 nan 8.190 nan 0.000 0.449 559 I N -0.708 119.837 120.570 -0.041 0.000 2.286 559 I HA -0.200 3.963 4.170 -0.011 0.000 0.245 559 I C 2.528 178.641 176.117 -0.007 0.000 1.104 559 I CA 1.561 62.901 61.300 0.067 0.000 1.397 559 I CB -0.413 37.725 38.000 0.229 0.000 1.072 559 I HN 0.367 nan 8.210 nan 0.000 0.417 560 E N 0.387 120.558 120.200 -0.049 0.000 2.077 560 E HA -0.167 4.176 4.350 -0.011 0.000 0.193 560 E C 2.309 178.864 176.600 -0.075 0.000 0.989 560 E CA 1.292 57.639 56.400 -0.088 0.000 0.800 560 E CB -0.038 29.616 29.700 -0.076 0.000 0.746 560 E HN 0.261 nan 8.360 nan 0.000 0.452 561 V N 1.368 121.250 119.914 -0.053 0.000 2.343 561 V HA -0.269 3.844 4.120 -0.011 0.000 0.247 561 V C 2.316 178.401 176.094 -0.016 0.000 1.051 561 V CA 1.821 64.109 62.300 -0.021 0.000 1.036 561 V CB -0.736 31.109 31.823 0.037 0.000 0.654 561 V HN 0.327 nan 8.190 nan 0.000 0.451 562 A N 0.860 123.674 122.820 -0.010 0.000 2.019 562 A HA -0.212 4.102 4.320 -0.011 0.000 0.219 562 A C 2.221 179.792 177.584 -0.022 0.000 1.164 562 A CA 2.176 54.213 52.037 0.001 0.000 0.644 562 A CB -0.484 18.531 19.000 0.024 0.000 0.805 562 A HN 0.705 nan 8.150 nan 0.000 0.449 563 M N -2.780 116.784 119.600 -0.060 0.000 2.514 563 M HA 0.232 4.706 4.480 -0.011 0.000 0.258 563 M C 1.803 178.057 176.300 -0.076 0.000 1.119 563 M CA 1.497 56.744 55.300 -0.089 0.000 1.111 563 M CB -0.089 32.404 32.600 -0.178 0.000 1.390 563 M HN 0.137 nan 8.290 nan 0.000 0.475 564 R N 1.436 121.897 120.500 -0.066 0.000 2.200 564 R HA 0.245 4.578 4.340 -0.011 0.000 0.208 564 R C 1.445 177.718 176.300 -0.046 0.000 1.033 564 R CA 0.974 57.038 56.100 -0.060 0.000 1.000 564 R CB -0.148 30.116 30.300 -0.061 0.000 0.906 564 R HN 0.508 nan 8.270 nan 0.000 0.462 565 L N -0.374 120.828 121.223 -0.035 0.000 2.640 565 L HA 0.246 4.579 4.340 -0.011 0.000 0.230 565 L C 1.701 178.560 176.870 -0.019 0.000 1.123 565 L CA 0.003 54.827 54.840 -0.026 0.000 0.900 565 L CB 0.025 42.072 42.059 -0.019 0.000 1.146 565 L HN 0.252 nan 8.230 nan 0.000 0.484 566 E N 1.543 121.731 120.200 -0.020 0.000 2.031 566 E HA -0.171 4.173 4.350 -0.011 0.000 0.193 566 E C 1.780 178.376 176.600 -0.007 0.000 0.994 566 E CA 1.169 57.563 56.400 -0.010 0.000 0.800 566 E CB -0.070 29.621 29.700 -0.015 0.000 0.752 566 E HN 0.429 nan 8.360 nan 0.000 0.447 567 G N 1.236 110.029 108.800 -0.012 0.000 3.302 567 G HA2 0.108 4.062 3.960 -0.011 0.000 0.220 567 G HA3 0.108 4.062 3.960 -0.011 0.000 0.220 567 G C 0.046 174.938 174.900 -0.014 0.000 1.297 567 G CA 0.116 45.211 45.100 -0.008 0.000 1.213 567 G HN 0.043 nan 8.290 nan 0.000 0.508 568 L N -0.865 120.341 121.223 -0.028 0.000 2.279 568 L HA 0.515 4.848 4.340 -0.011 0.000 0.262 568 L C -0.551 176.290 176.870 -0.048 0.000 1.019 568 L CA -1.387 53.421 54.840 -0.054 0.000 0.823 568 L CB 1.752 43.785 42.059 -0.043 0.000 1.358 568 L HN -0.097 nan 8.230 nan 0.000 0.432 569 N N 0.402 119.051 118.700 -0.085 0.000 2.430 569 N HA 0.432 5.166 4.740 -0.011 0.000 0.298 569 N C 0.029 175.530 175.510 -0.015 0.000 1.130 569 N CA -0.762 52.255 53.050 -0.054 0.000 0.894 569 N CB 2.029 40.431 38.487 -0.142 0.000 1.209 569 N HN 0.429 nan 8.380 nan 0.000 0.503 570 R N 0.422 120.948 120.500 0.043 0.000 0.815 570 R HA 0.242 4.575 4.340 -0.011 0.000 0.063 570 R C 0.719 177.062 176.300 0.071 0.000 0.638 570 R CA 0.461 56.610 56.100 0.082 0.000 2.117 570 R CB -0.531 29.835 30.300 0.110 0.000 0.568 570 R HN 0.616 nan 8.270 nan 0.000 0.775 571 H N -1.775 117.347 119.070 0.086 0.000 3.379 571 H HA 0.559 5.108 4.556 -0.011 0.000 0.298 571 H C -0.953 174.420 175.328 0.074 0.000 1.672 571 H CA -0.692 55.411 56.048 0.092 0.000 1.446 571 H CB 1.690 31.496 29.762 0.073 0.000 1.710 571 H HN 0.407 nan 8.280 nan 0.000 0.791 572 A N 1.359 124.274 122.820 0.159 0.000 2.394 572 A HA 0.427 4.740 4.320 -0.011 0.000 0.333 572 A C -0.292 177.188 177.584 -0.173 0.000 1.397 572 A CA -0.429 51.525 52.037 -0.138 0.000 0.884 572 A CB 0.117 18.968 19.000 -0.249 0.000 1.147 572 A HN 0.457 nan 8.150 nan 0.000 0.505 573 S N 0.347 115.921 115.700 -0.209 0.000 2.669 573 S HA 0.498 4.961 4.470 -0.011 0.000 0.270 573 S C 0.517 175.005 174.600 -0.188 0.000 1.225 573 S CA -0.566 57.543 58.200 -0.152 0.000 0.991 573 S CB 1.243 64.382 63.200 -0.103 0.000 0.987 573 S HN 0.554 nan 8.310 nan 0.000 0.552 574 V N 1.353 121.193 119.914 -0.122 0.000 2.732 574 V HA 0.158 4.271 4.120 -0.011 0.000 0.297 574 V C 0.128 176.191 176.094 -0.052 0.000 1.060 574 V CA -0.475 61.770 62.300 -0.092 0.000 1.038 574 V CB 0.397 32.174 31.823 -0.077 0.000 1.003 574 V HN 0.817 nan 8.190 nan 0.000 0.481 575 H N 3.109 122.120 119.070 -0.099 0.000 2.878 575 H HA 0.361 4.910 4.556 -0.011 0.000 0.290 575 H C 1.225 176.539 175.328 -0.023 0.000 1.065 575 H CA 0.365 56.384 56.048 -0.050 0.000 1.477 575 H CB 1.102 30.847 29.762 -0.029 0.000 1.484 575 H HN 0.847 nan 8.280 nan 0.000 0.504 576 A N 3.964 126.569 122.820 -0.358 0.000 2.171 576 A HA -0.253 4.060 4.320 -0.011 0.000 0.223 576 A C 1.917 179.393 177.584 -0.180 0.000 1.166 576 A CA 2.242 54.156 52.037 -0.206 0.000 0.668 576 A CB -0.524 18.400 19.000 -0.125 0.000 0.807 576 A HN 0.812 nan 8.150 nan 0.000 0.475 577 A N -2.117 120.464 122.820 -0.398 0.000 2.010 577 A HA 0.518 4.831 4.320 -0.011 0.000 0.193 577 A C 1.360 179.241 177.584 0.495 0.000 1.659 577 A CA 0.773 52.832 52.037 0.036 0.000 1.175 577 A CB -0.639 18.429 19.000 0.113 0.000 1.301 577 A HN 1.099 nan 8.150 nan 0.000 0.448 578 G N 0.249 109.922 108.800 1.454 0.000 2.340 578 G HA2 0.458 4.411 3.960 -0.011 0.000 0.245 578 G HA3 0.458 4.411 3.960 -0.011 0.000 0.245 578 G C -0.564 174.450 174.900 0.190 0.000 1.294 578 G CA 0.429 45.890 45.100 0.601 0.000 0.896 578 G HN 0.534 nan 8.290 nan 0.000 0.522 579 V N 2.518 122.478 119.914 0.078 0.000 2.888 579 V HA 0.444 4.558 4.120 -0.011 0.000 0.309 579 V C -0.341 175.742 176.094 -0.019 0.000 1.114 579 V CA -0.662 61.601 62.300 -0.061 0.000 0.940 579 V CB 2.344 33.985 31.823 -0.303 0.000 1.021 579 V HN 0.693 nan 8.190 nan 0.000 0.426 580 V N 4.836 124.724 119.914 -0.043 0.000 2.495 580 V HA 0.601 4.715 4.120 -0.011 0.000 0.298 580 V C -0.449 175.626 176.094 -0.032 0.000 1.031 580 V CA -0.567 61.728 62.300 -0.008 0.000 0.871 580 V CB 1.797 33.624 31.823 0.007 0.000 0.988 580 V HN 0.691 nan 8.190 nan 0.000 0.432 581 I N 3.955 124.515 120.570 -0.017 0.000 2.359 581 I HA 0.675 4.839 4.170 -0.011 0.000 0.284 581 I C 0.594 176.707 176.117 -0.007 0.000 1.018 581 I CA -0.331 60.938 61.300 -0.051 0.000 1.173 581 I CB 1.457 39.359 38.000 -0.164 0.000 1.326 581 I HN 0.742 nan 8.210 nan 0.000 0.462 582 A N 4.300 127.128 122.820 0.013 0.000 2.286 582 A HA 0.764 5.078 4.320 -0.011 0.000 0.286 582 A C 1.068 178.684 177.584 0.052 0.000 1.097 582 A CA 0.091 52.153 52.037 0.042 0.000 0.821 582 A CB 1.021 20.048 19.000 0.045 0.000 1.076 582 A HN 0.837 nan 8.150 nan 0.000 0.490 583 A N 0.488 123.350 122.820 0.071 0.000 1.935 583 A HA 0.219 4.532 4.320 -0.011 0.000 0.214 583 A C 0.873 178.503 177.584 0.076 0.000 1.178 583 A CA 0.975 53.062 52.037 0.083 0.000 0.640 583 A CB -0.187 18.870 19.000 0.094 0.000 0.825 583 A HN 0.837 nan 8.150 nan 0.000 0.447 584 E N -0.507 119.734 120.200 0.070 0.000 2.264 584 E HA 0.402 4.745 4.350 -0.011 0.000 0.260 584 E C -2.711 173.919 176.600 0.051 0.000 0.961 584 E CA -2.735 53.703 56.400 0.063 0.000 0.834 584 E CB 0.867 30.609 29.700 0.071 0.000 1.230 584 E HN -0.025 nan 8.360 nan 0.000 0.412 585 P HA -0.085 nan 4.420 nan 0.000 0.258 585 P C 0.393 177.703 177.300 0.016 0.000 1.172 585 P CA 0.563 63.675 63.100 0.020 0.000 0.762 585 P CB 0.349 32.056 31.700 0.010 0.000 0.764 586 L N 2.862 124.088 121.223 0.005 0.000 2.034 586 L HA -0.279 4.054 4.340 -0.011 0.000 0.217 586 L C 2.033 178.890 176.870 -0.021 0.000 1.077 586 L CA 2.396 57.236 54.840 -0.001 0.000 0.769 586 L CB -1.189 40.858 42.059 -0.020 0.000 0.890 586 L HN 0.430 nan 8.230 nan 0.000 0.435 587 T N -2.561 111.960 114.554 -0.055 0.000 3.052 587 T HA -0.161 4.183 4.350 -0.011 0.000 0.270 587 T C 1.166 175.791 174.700 -0.125 0.000 1.147 587 T CA 1.031 63.063 62.100 -0.113 0.000 1.089 587 T CB -0.373 68.418 68.868 -0.129 0.000 0.875 587 T HN 0.294 nan 8.240 nan 0.000 0.541 588 D N 0.035 120.411 120.400 -0.039 0.000 2.347 588 D HA 0.157 4.791 4.640 -0.011 0.000 0.215 588 D C 1.429 177.807 176.300 0.131 0.000 0.976 588 D CA 0.433 54.441 54.000 0.014 0.000 0.884 588 D CB 0.302 41.151 40.800 0.082 0.000 0.915 588 D HN 0.327 nan 8.370 nan 0.000 0.526 589 L N -1.371 119.940 121.223 0.146 0.000 3.122 589 L HA 0.172 4.506 4.340 -0.011 0.000 0.296 589 L C -0.704 176.347 176.870 0.301 0.000 1.040 589 L CA 0.246 55.277 54.840 0.318 0.000 1.164 589 L CB 1.285 43.495 42.059 0.252 0.000 1.990 589 L HN -0.339 nan 8.230 nan 0.000 0.579 590 V N 2.730 122.702 119.914 0.098 0.000 2.483 590 V HA 0.484 4.598 4.120 -0.011 0.000 0.297 590 V C -2.368 173.589 176.094 -0.228 0.000 1.027 590 V CA -1.405 60.855 62.300 -0.067 0.000 0.855 590 V CB 1.746 33.578 31.823 0.015 0.000 0.995 590 V HN 0.000 nan 8.190 nan 0.000 0.424 591 P HA 0.356 nan 4.420 nan 0.000 0.274 591 P C -0.912 176.269 177.300 -0.199 0.000 1.231 591 P CA -0.085 62.839 63.100 -0.293 0.000 0.790 591 P CB 1.355 32.870 31.700 -0.309 0.000 0.951 592 L N 1.754 122.905 121.223 -0.120 0.000 2.271 592 L HA 0.642 4.975 4.340 -0.011 0.000 0.265 592 L C 0.636 177.455 176.870 -0.085 0.000 1.013 592 L CA -0.977 53.814 54.840 -0.081 0.000 0.820 592 L CB 1.446 43.459 42.059 -0.077 0.000 1.352 592 L HN 0.338 nan 8.230 nan 0.000 0.443 593 M N 0.062 119.586 119.600 -0.127 0.000 2.779 593 M HA 0.504 4.978 4.480 -0.011 0.000 0.277 593 M C -1.293 174.885 176.300 -0.203 0.000 1.284 593 M CA -0.688 54.437 55.300 -0.292 0.000 0.801 593 M CB 3.254 35.711 32.600 -0.239 0.000 1.712 593 M HN 0.386 nan 8.290 nan 0.000 0.453 594 R N 1.236 121.589 120.500 -0.246 0.000 2.515 594 R HA 0.253 4.586 4.340 -0.011 0.000 0.291 594 R C -1.382 174.816 176.300 -0.171 0.000 1.046 594 R CA -0.568 55.440 56.100 -0.154 0.000 0.914 594 R CB 1.217 31.458 30.300 -0.098 0.000 1.191 594 R HN 0.780 nan 8.270 nan 0.000 0.435 595 D N 1.997 122.320 120.400 -0.129 0.000 2.356 595 D HA -0.107 4.526 4.640 -0.011 0.000 0.258 595 D C 0.560 176.802 176.300 -0.097 0.000 1.279 595 D CA -0.020 53.912 54.000 -0.113 0.000 1.016 595 D CB 0.667 41.412 40.800 -0.091 0.000 1.107 595 D HN 0.561 nan 8.370 nan 0.000 0.544 596 Q N -1.193 118.560 119.800 -0.077 0.000 2.297 596 Q HA -0.092 4.241 4.340 -0.011 0.000 0.204 596 Q C 1.076 177.053 176.000 -0.038 0.000 0.962 596 Q CA 0.910 56.679 55.803 -0.056 0.000 0.879 596 Q CB 0.129 28.840 28.738 -0.045 0.000 0.947 596 Q HN 0.517 nan 8.270 nan 0.000 0.462 597 E N -1.456 118.719 120.200 -0.041 0.000 2.463 597 E HA 0.101 4.445 4.350 -0.011 0.000 0.193 597 E C 0.502 177.082 176.600 -0.034 0.000 1.041 597 E CA 0.314 56.695 56.400 -0.031 0.000 0.879 597 E CB 0.704 30.386 29.700 -0.031 0.000 0.997 597 E HN 0.504 nan 8.360 nan 0.000 0.478 598 G N 2.438 111.212 108.800 -0.042 0.000 2.143 598 G HA2 -0.324 3.630 3.960 -0.011 0.000 0.249 598 G HA3 -0.324 3.630 3.960 -0.011 0.000 0.249 598 G C 0.136 175.005 174.900 -0.051 0.000 0.981 598 G CA -0.198 44.878 45.100 -0.040 0.000 0.665 598 G HN 0.182 nan 8.290 nan 0.000 0.528 599 R N 1.297 121.760 120.500 -0.061 0.000 2.442 599 R HA 0.377 4.710 4.340 -0.011 0.000 0.291 599 R C -2.277 173.975 176.300 -0.079 0.000 1.069 599 R CA -1.143 54.915 56.100 -0.070 0.000 1.022 599 R CB 0.634 30.890 30.300 -0.073 0.000 0.976 599 R HN 0.179 nan 8.270 nan 0.000 0.443 600 P HA 0.092 nan 4.420 nan 0.000 0.282 600 P C -0.767 176.482 177.300 -0.085 0.000 1.262 600 P CA -0.110 62.943 63.100 -0.079 0.000 0.773 600 P CB 1.155 32.813 31.700 -0.070 0.000 0.879 601 V N 3.764 123.624 119.914 -0.090 0.000 2.656 601 V HA 0.299 4.412 4.120 -0.011 0.000 0.307 601 V C 0.516 176.570 176.094 -0.067 0.000 1.051 601 V CA -0.499 61.748 62.300 -0.088 0.000 0.893 601 V CB 2.106 33.862 31.823 -0.112 0.000 0.999 601 V HN 0.444 nan 8.190 nan 0.000 0.426 602 T N 3.296 117.819 114.554 -0.052 0.000 2.916 602 T HA 0.063 4.406 4.350 -0.011 0.000 0.303 602 T C 1.051 175.788 174.700 0.061 0.000 1.025 602 T CA 0.079 62.169 62.100 -0.017 0.000 1.142 602 T CB 0.827 69.703 68.868 0.014 0.000 0.947 602 T HN 0.728 nan 8.240 nan 0.000 0.544 603 Q N 1.193 121.059 119.800 0.110 0.000 2.378 603 Q HA 0.048 4.382 4.340 -0.011 0.000 0.205 603 Q C -0.169 176.228 176.000 0.662 0.000 0.954 603 Q CA 0.706 56.794 55.803 0.475 0.000 0.901 603 Q CB 0.225 29.247 28.738 0.474 0.000 0.981 603 Q HN 0.711 nan 8.270 nan 0.000 0.483 604 Y N 1.405 121.939 120.300 0.390 0.000 2.376 604 Y HA 0.081 4.625 4.550 -0.011 0.000 0.325 604 Y C 0.880 177.042 175.900 0.436 0.000 1.199 604 Y CA -1.547 56.765 58.100 0.353 0.000 1.206 604 Y CB 0.757 39.324 38.460 0.179 0.000 1.229 604 Y HN 0.116 nan 8.280 nan 0.000 0.480 605 D N 1.122 121.925 120.400 0.672 0.000 2.433 605 D HA -0.004 4.629 4.640 -0.011 0.000 0.255 605 D C 1.172 177.588 176.300 0.194 0.000 1.226 605 D CA -0.343 53.912 54.000 0.424 0.000 1.015 605 D CB 0.846 41.967 40.800 0.535 0.000 1.091 605 D HN 0.499 nan 8.370 nan 0.000 0.527 606 M N 0.345 119.994 119.600 0.082 0.000 2.513 606 M HA -0.224 4.250 4.480 -0.011 0.000 0.256 606 M C 2.135 178.452 176.300 0.029 0.000 1.061 606 M CA 2.689 57.982 55.300 -0.011 0.000 1.065 606 M CB -1.754 30.830 32.600 -0.026 0.000 1.279 606 M HN 0.791 nan 8.290 nan 0.000 0.453 607 G N -1.426 107.409 108.800 0.057 0.000 2.394 607 G HA2 0.034 3.987 3.960 -0.011 0.000 0.214 607 G HA3 0.034 3.987 3.960 -0.011 0.000 0.214 607 G C 1.602 176.522 174.900 0.033 0.000 1.176 607 G CA 1.275 46.398 45.100 0.040 0.000 0.786 607 G HN 0.627 nan 8.290 nan 0.000 0.533 608 A N 0.281 123.128 122.820 0.046 0.000 1.892 608 A HA -0.023 4.291 4.320 -0.011 0.000 0.218 608 A C 2.619 180.212 177.584 0.016 0.000 1.188 608 A CA 2.075 54.099 52.037 -0.021 0.000 0.631 608 A CB -0.796 18.155 19.000 -0.082 0.000 0.822 608 A HN 0.274 nan 8.150 nan 0.000 0.447 609 V N 0.046 120.027 119.914 0.111 0.000 2.295 609 V HA -0.266 3.847 4.120 -0.011 0.000 0.246 609 V C 2.449 178.583 176.094 0.068 0.000 1.049 609 V CA 2.276 64.656 62.300 0.134 0.000 1.024 609 V CB -0.813 31.087 31.823 0.129 0.000 0.648 609 V HN 0.620 nan 8.190 nan 0.000 0.447 610 E N 0.059 120.282 120.200 0.039 0.000 2.153 610 E HA -0.152 4.192 4.350 -0.011 0.000 0.194 610 E C 2.133 178.732 176.600 -0.001 0.000 0.988 610 E CA 1.202 57.614 56.400 0.019 0.000 0.811 610 E CB -0.226 29.479 29.700 0.008 0.000 0.746 610 E HN 0.591 nan 8.360 nan 0.000 0.466 611 A N 0.516 123.330 122.820 -0.009 0.000 2.235 611 A HA 0.003 4.317 4.320 -0.011 0.000 0.208 611 A C 1.762 179.321 177.584 -0.041 0.000 1.172 611 A CA 0.414 52.431 52.037 -0.032 0.000 0.786 611 A CB -0.120 18.861 19.000 -0.032 0.000 0.804 611 A HN 0.117 nan 8.150 nan 0.000 0.479 612 L N -0.949 120.263 121.223 -0.018 0.000 2.667 612 L HA 0.259 4.593 4.340 -0.011 0.000 0.232 612 L C 1.256 178.121 176.870 -0.009 0.000 1.138 612 L CA 0.321 55.154 54.840 -0.012 0.000 0.921 612 L CB 0.001 42.083 42.059 0.038 0.000 1.180 612 L HN 0.471 nan 8.230 nan 0.000 0.487 613 G N 1.594 110.378 108.800 -0.025 0.000 2.351 613 G HA2 -0.262 3.692 3.960 -0.011 0.000 0.297 613 G HA3 -0.262 3.692 3.960 -0.011 0.000 0.297 613 G C -0.365 174.571 174.900 0.060 0.000 1.054 613 G CA 0.032 45.121 45.100 -0.018 0.000 1.123 613 G HN 0.233 nan 8.290 nan 0.000 0.512 614 L N -0.013 121.252 121.223 0.069 0.000 2.342 614 L HA 0.592 4.925 4.340 -0.011 0.000 0.271 614 L C 0.489 177.411 176.870 0.087 0.000 1.008 614 L CA -1.529 53.362 54.840 0.085 0.000 0.818 614 L CB 1.734 43.842 42.059 0.081 0.000 1.296 614 L HN 0.215 nan 8.230 nan 0.000 0.427 615 L N 4.283 125.566 121.223 0.100 0.000 2.456 615 L HA 0.191 4.525 4.340 -0.011 0.000 0.277 615 L C -0.087 176.850 176.870 0.112 0.000 1.124 615 L CA 0.516 55.428 54.840 0.119 0.000 0.880 615 L CB -0.241 41.914 42.059 0.161 0.000 1.192 615 L HN 0.516 nan 8.230 nan 0.000 0.463 616 K N 7.126 127.592 120.400 0.110 0.000 2.292 616 K HA 0.550 4.864 4.320 -0.011 0.000 0.257 616 K C -1.225 175.473 176.600 0.163 0.000 0.940 616 K CA -0.667 55.680 56.287 0.100 0.000 0.811 616 K CB 1.088 33.613 32.500 0.042 0.000 1.120 616 K HN 0.674 nan 8.250 nan 0.000 0.428 617 M N 1.966 121.693 119.600 0.213 0.000 2.777 617 M HA 0.365 4.839 4.480 -0.011 0.000 0.307 617 M C -1.010 175.497 176.300 0.345 0.000 1.228 617 M CA -0.848 54.641 55.300 0.314 0.000 0.871 617 M CB 1.401 34.299 32.600 0.497 0.000 1.721 617 M HN 0.486 nan 8.290 nan 0.000 0.487 618 D N 1.022 121.643 120.400 0.367 0.000 2.502 618 D HA 0.534 5.168 4.640 -0.011 0.000 0.249 618 D C -1.536 175.072 176.300 0.514 0.000 1.092 618 D CA 0.012 54.267 54.000 0.425 0.000 0.839 618 D CB 1.111 42.094 40.800 0.305 0.000 1.264 618 D HN 0.201 nan 8.370 nan 0.000 0.511 619 F N 2.607 122.706 119.950 0.248 0.000 2.325 619 F HA 0.374 4.895 4.527 -0.010 0.000 0.369 619 F C -0.280 175.689 175.800 0.281 0.000 1.095 619 F CA -0.837 57.380 58.000 0.361 0.000 1.082 619 F CB 0.487 39.637 39.000 0.249 0.000 1.289 619 F HN 0.080 nan 8.300 nan 0.000 0.462 620 L N 2.444 123.902 121.223 0.392 0.000 2.312 620 L HA 0.576 4.909 4.340 -0.011 0.000 0.281 620 L C 0.833 177.861 176.870 0.263 0.000 1.070 620 L CA -0.215 54.782 54.840 0.262 0.000 0.805 620 L CB 1.252 43.429 42.059 0.197 0.000 1.174 620 L HN 0.673 nan 8.230 nan 0.000 0.434 621 G N 4.356 113.274 108.800 0.197 0.000 2.365 621 G HA2 0.420 4.374 3.960 -0.011 0.000 0.293 621 G HA3 0.420 4.374 3.960 -0.011 0.000 0.293 621 G C -0.698 174.272 174.900 0.117 0.000 1.128 621 G CA -0.344 44.855 45.100 0.165 0.000 0.971 621 G HN 0.504 nan 8.290 nan 0.000 0.422 622 L N 3.791 125.071 121.223 0.096 0.000 2.287 622 L HA 0.376 4.710 4.340 -0.011 0.000 0.287 622 L C 1.518 178.394 176.870 0.011 0.000 1.022 622 L CA -1.215 53.644 54.840 0.032 0.000 0.814 622 L CB 1.592 43.614 42.059 -0.061 0.000 1.217 622 L HN 0.515 nan 8.230 nan 0.000 0.420 623 R N 1.345 121.862 120.500 0.029 0.000 2.080 623 R HA -0.143 4.191 4.340 -0.011 0.000 0.236 623 R C 1.630 177.931 176.300 0.002 0.000 1.137 623 R CA 1.928 58.052 56.100 0.041 0.000 0.943 623 R CB -0.504 29.835 30.300 0.066 0.000 0.846 623 R HN 0.711 nan 8.270 nan 0.000 0.431 624 T N 2.043 116.531 114.554 -0.110 0.000 2.685 624 T HA -0.166 4.177 4.350 -0.011 0.000 0.268 624 T C 1.803 176.436 174.700 -0.113 0.000 1.034 624 T CA 1.203 63.195 62.100 -0.179 0.000 1.149 624 T CB -0.194 68.322 68.868 -0.587 0.000 0.860 624 T HN -0.016 nan 8.240 nan 0.000 0.449 625 L N 1.002 122.125 121.223 -0.167 0.000 1.989 625 L HA -0.092 4.241 4.340 -0.011 0.000 0.211 625 L C 2.854 179.705 176.870 -0.031 0.000 1.071 625 L CA 1.870 56.638 54.840 -0.120 0.000 0.749 625 L CB -1.671 40.328 42.059 -0.100 0.000 0.890 625 L HN 0.256 nan 8.230 nan 0.000 0.431 626 T N -0.747 113.818 114.554 0.019 0.000 2.737 626 T HA -0.260 4.084 4.350 -0.011 0.000 0.269 626 T C 1.697 176.427 174.700 0.049 0.000 1.040 626 T CA 1.675 63.803 62.100 0.046 0.000 1.142 626 T CB -0.470 68.441 68.868 0.073 0.000 0.861 626 T HN 0.283 nan 8.240 nan 0.000 0.456 627 F N 1.412 121.317 119.950 -0.075 0.000 2.146 627 F HA 0.085 4.606 4.527 -0.011 0.000 0.298 627 F C 1.797 177.539 175.800 -0.097 0.000 1.096 627 F CA 0.980 58.920 58.000 -0.101 0.000 1.275 627 F CB -0.375 38.541 39.000 -0.140 0.000 1.008 627 F HN 0.034 nan 8.300 nan 0.000 0.480 628 L N 0.056 121.200 121.223 -0.132 0.000 2.362 628 L HA -0.163 4.170 4.340 -0.011 0.000 0.219 628 L C 1.837 178.680 176.870 -0.046 0.000 1.134 628 L CA 0.773 55.489 54.840 -0.206 0.000 0.807 628 L CB -0.718 41.113 42.059 -0.381 0.000 0.927 628 L HN 0.118 nan 8.230 nan 0.000 0.447 629 D N -0.144 120.218 120.400 -0.062 0.000 2.091 629 D HA -0.141 4.492 4.640 -0.011 0.000 0.199 629 D C 2.153 178.405 176.300 -0.079 0.000 0.980 629 D CA 0.946 54.935 54.000 -0.018 0.000 0.831 629 D CB -0.026 40.769 40.800 -0.009 0.000 0.987 629 D HN 0.202 nan 8.370 nan 0.000 0.460 630 E N 0.948 121.060 120.200 -0.147 0.000 2.118 630 E HA -0.140 4.203 4.350 -0.011 0.000 0.195 630 E C 2.044 178.508 176.600 -0.226 0.000 0.992 630 E CA 0.775 57.075 56.400 -0.167 0.000 0.804 630 E CB -0.194 29.409 29.700 -0.163 0.000 0.741 630 E HN 0.190 nan 8.360 nan 0.000 0.458 631 A N 1.822 124.422 122.820 -0.367 0.000 1.865 631 A HA -0.230 4.083 4.320 -0.011 0.000 0.217 631 A C 2.249 179.755 177.584 -0.130 0.000 1.191 631 A CA 1.799 53.655 52.037 -0.302 0.000 0.623 631 A CB -0.604 18.170 19.000 -0.377 0.000 0.826 631 A HN 0.123 nan 8.150 nan 0.000 0.444 632 R N -0.462 119.997 120.500 -0.069 0.000 2.091 632 R HA -0.185 4.148 4.340 -0.011 0.000 0.238 632 R C 2.520 178.744 176.300 -0.127 0.000 1.136 632 R CA 1.783 57.812 56.100 -0.117 0.000 0.959 632 R CB -0.337 29.899 30.300 -0.107 0.000 0.856 632 R HN 0.621 nan 8.270 nan 0.000 0.437 633 R N 0.537 120.977 120.500 -0.101 0.000 2.070 633 R HA -0.131 4.202 4.340 -0.011 0.000 0.233 633 R C 2.269 178.514 176.300 -0.092 0.000 1.137 633 R CA 1.866 57.913 56.100 -0.088 0.000 0.945 633 R CB -0.382 29.877 30.300 -0.069 0.000 0.845 633 R HN 0.273 nan 8.270 nan 0.000 0.430 634 I N 0.522 121.033 120.570 -0.099 0.000 2.252 634 I HA -0.235 3.928 4.170 -0.011 0.000 0.245 634 I C 2.427 178.482 176.117 -0.103 0.000 1.102 634 I CA 0.815 62.064 61.300 -0.085 0.000 1.385 634 I CB -0.164 37.789 38.000 -0.078 0.000 1.064 634 I HN 0.050 nan 8.210 nan 0.000 0.414 635 V N 1.046 120.870 119.914 -0.149 0.000 2.282 635 V HA -0.363 3.750 4.120 -0.011 0.000 0.249 635 V C 2.600 178.567 176.094 -0.212 0.000 1.057 635 V CA 1.986 64.140 62.300 -0.244 0.000 1.032 635 V CB -0.641 30.961 31.823 -0.368 0.000 0.645 635 V HN 0.406 nan 8.190 nan 0.000 0.447 636 K N -0.292 120.006 120.400 -0.170 0.000 2.020 636 K HA -0.283 4.031 4.320 -0.011 0.000 0.212 636 K C 2.279 178.822 176.600 -0.095 0.000 1.050 636 K CA 2.298 58.506 56.287 -0.131 0.000 0.929 636 K CB -0.258 32.175 32.500 -0.111 0.000 0.714 636 K HN 0.578 nan 8.250 nan 0.000 0.443 637 E N -0.170 119.983 120.200 -0.078 0.000 2.150 637 E HA -0.148 4.196 4.350 -0.011 0.000 0.193 637 E C 1.923 178.496 176.600 -0.044 0.000 0.985 637 E CA 0.954 57.323 56.400 -0.053 0.000 0.814 637 E CB 0.042 29.717 29.700 -0.042 0.000 0.752 637 E HN 0.185 nan 8.360 nan 0.000 0.466 638 S N 0.271 115.938 115.700 -0.055 0.000 2.345 638 S HA -0.075 4.388 4.470 -0.011 0.000 0.219 638 S C 1.400 175.984 174.600 -0.026 0.000 1.031 638 S CA 1.413 59.593 58.200 -0.034 0.000 0.984 638 S CB 0.081 63.263 63.200 -0.031 0.000 0.874 638 S HN 0.317 nan 8.310 nan 0.000 0.451 639 K N -1.118 119.250 120.400 -0.052 0.000 2.564 639 K HA 0.405 4.718 4.320 -0.011 0.000 0.201 639 K C 0.886 177.462 176.600 -0.041 0.000 1.086 639 K CA 0.454 56.726 56.287 -0.025 0.000 1.062 639 K CB 0.390 32.906 32.500 0.027 0.000 0.849 639 K HN 0.394 nan 8.250 nan 0.000 0.529 640 G N 1.313 110.075 108.800 -0.063 0.000 2.189 640 G HA2 -0.275 3.679 3.960 -0.011 0.000 0.267 640 G HA3 -0.275 3.679 3.960 -0.011 0.000 0.267 640 G C 0.215 175.071 174.900 -0.074 0.000 0.975 640 G CA 0.335 45.400 45.100 -0.058 0.000 0.644 640 G HN 0.188 nan 8.290 nan 0.000 0.537 641 V N 1.143 120.990 119.914 -0.111 0.000 2.508 641 V HA 0.362 4.475 4.120 -0.011 0.000 0.281 641 V C 0.462 176.464 176.094 -0.154 0.000 1.041 641 V CA -0.431 61.795 62.300 -0.124 0.000 1.016 641 V CB 1.645 33.361 31.823 -0.178 0.000 0.984 641 V HN 0.250 nan 8.190 nan 0.000 0.478 642 E N 4.621 124.747 120.200 -0.123 0.000 1.963 642 E HA 0.286 4.630 4.350 -0.011 0.000 0.274 642 E C -0.442 176.050 176.600 -0.180 0.000 1.061 642 E CA -0.250 56.065 56.400 -0.142 0.000 0.847 642 E CB 1.189 30.824 29.700 -0.108 0.000 1.083 642 E HN 0.548 nan 8.360 nan 0.000 0.402 643 L N 3.455 124.522 121.223 -0.260 0.000 2.515 643 L HA 0.013 4.347 4.340 -0.011 0.000 0.281 643 L C 0.583 177.165 176.870 -0.481 0.000 1.131 643 L CA 0.071 54.681 54.840 -0.383 0.000 0.905 643 L CB 0.211 41.959 42.059 -0.518 0.000 1.246 643 L HN 0.217 nan 8.230 nan 0.000 0.463 644 D N 3.232 123.434 120.400 -0.330 0.000 2.518 644 D HA 0.057 4.690 4.640 -0.011 0.000 0.230 644 D C 0.969 177.155 176.300 -0.190 0.000 1.138 644 D CA -0.296 53.561 54.000 -0.239 0.000 0.964 644 D CB 0.308 41.029 40.800 -0.131 0.000 1.011 644 D HN 0.347 nan 8.370 nan 0.000 0.517 645 Y N 0.711 120.972 120.300 -0.066 0.000 2.173 645 Y HA -0.244 4.299 4.550 -0.011 0.000 0.282 645 Y C 1.527 177.393 175.900 -0.056 0.000 1.192 645 Y CA 1.022 59.080 58.100 -0.069 0.000 1.176 645 Y CB 0.146 38.578 38.460 -0.047 0.000 0.969 645 Y HN 0.308 nan 8.280 nan 0.000 0.519 646 D N -0.507 119.951 120.400 0.097 0.000 2.323 646 D HA 0.026 4.659 4.640 -0.011 0.000 0.239 646 D C 1.121 177.429 176.300 0.014 0.000 1.129 646 D CA 0.535 54.565 54.000 0.049 0.000 0.865 646 D CB 0.011 40.825 40.800 0.025 0.000 0.913 646 D HN 0.389 nan 8.370 nan 0.000 0.517 647 R N -0.286 120.213 120.500 -0.003 0.000 2.538 647 R HA 0.239 4.572 4.340 -0.011 0.000 0.372 647 R C 0.079 176.367 176.300 -0.021 0.000 0.950 647 R CA -0.240 55.850 56.100 -0.016 0.000 1.168 647 R CB 1.059 31.339 30.300 -0.033 0.000 1.542 647 R HN 0.060 nan 8.270 nan 0.000 0.536 648 L N 3.497 124.702 121.223 -0.030 0.000 2.397 648 L HA 0.257 4.590 4.340 -0.011 0.000 0.271 648 L C -1.757 175.126 176.870 0.023 0.000 1.148 648 L CA -1.614 53.188 54.840 -0.064 0.000 0.825 648 L CB 0.441 42.389 42.059 -0.186 0.000 1.117 648 L HN -0.157 nan 8.230 nan 0.000 0.456 649 P HA 0.077 nan 4.420 nan 0.000 0.271 649 P C 0.015 177.432 177.300 0.195 0.000 1.216 649 P CA -0.165 63.009 63.100 0.125 0.000 0.776 649 P CB 0.863 32.655 31.700 0.153 0.000 0.881 650 L N 1.607 122.882 121.223 0.087 0.000 2.653 650 L HA 0.125 4.459 4.340 -0.011 0.000 0.231 650 L C 0.713 177.671 176.870 0.147 0.000 1.153 650 L CA 0.298 55.060 54.840 -0.131 0.000 0.933 650 L CB -0.290 41.675 42.059 -0.157 0.000 1.175 650 L HN 0.392 nan 8.230 nan 0.000 0.473 651 D N -1.872 118.722 120.400 0.323 0.000 2.720 651 D HA 0.023 4.657 4.640 -0.011 0.000 0.285 651 D C -0.002 176.579 176.300 0.468 0.000 1.359 651 D CA -0.386 53.864 54.000 0.417 0.000 0.818 651 D CB -0.037 40.894 40.800 0.218 0.000 1.108 651 D HN 0.024 nan 8.370 nan 0.000 0.474 652 D N 2.040 122.776 120.400 0.560 0.000 2.358 652 D HA 0.072 4.706 4.640 -0.011 0.000 0.258 652 D C -0.990 175.548 176.300 0.396 0.000 1.223 652 D CA -1.490 52.768 54.000 0.431 0.000 0.886 652 D CB 1.734 42.819 40.800 0.476 0.000 1.120 652 D HN -0.105 nan 8.370 nan 0.000 0.482 653 P HA -0.207 nan 4.420 nan 0.000 0.214 653 P C 0.888 178.276 177.300 0.146 0.000 1.163 653 P CA 1.297 64.547 63.100 0.251 0.000 0.883 653 P CB 0.171 31.963 31.700 0.155 0.000 0.788 654 K N -0.884 119.529 120.400 0.022 0.000 2.281 654 K HA -0.064 4.250 4.320 -0.011 0.000 0.203 654 K C 2.092 178.538 176.600 -0.256 0.000 1.046 654 K CA 1.378 57.565 56.287 -0.166 0.000 0.938 654 K CB -0.509 31.765 32.500 -0.377 0.000 0.737 654 K HN 0.199 nan 8.250 nan 0.000 0.458 655 T N 0.610 115.025 114.554 -0.231 0.000 2.732 655 T HA -0.058 4.286 4.350 -0.011 0.000 0.261 655 T C 1.538 176.066 174.700 -0.285 0.000 1.040 655 T CA 1.149 63.025 62.100 -0.374 0.000 1.145 655 T CB -0.258 68.270 68.868 -0.568 0.000 0.866 655 T HN 0.131 nan 8.240 nan 0.000 0.427 656 F N 1.576 121.560 119.950 0.056 0.000 2.186 656 F HA -0.011 4.509 4.527 -0.011 0.000 0.299 656 F C 2.500 178.319 175.800 0.032 0.000 1.090 656 F CA 0.841 58.890 58.000 0.080 0.000 1.307 656 F CB -0.381 38.700 39.000 0.135 0.000 1.019 656 F HN 0.208 nan 8.300 nan 0.000 0.489 657 E N 0.444 120.737 120.200 0.155 0.000 2.153 657 E HA -0.233 4.110 4.350 -0.011 0.000 0.194 657 E C 2.146 178.751 176.600 0.008 0.000 0.988 657 E CA 1.190 57.630 56.400 0.068 0.000 0.811 657 E CB -0.272 29.441 29.700 0.021 0.000 0.746 657 E HN 0.449 nan 8.360 nan 0.000 0.466 658 L N 0.522 121.715 121.223 -0.050 0.000 2.072 658 L HA -0.127 4.206 4.340 -0.011 0.000 0.205 658 L C 2.051 178.899 176.870 -0.036 0.000 1.079 658 L CA 1.042 55.834 54.840 -0.080 0.000 0.752 658 L CB 0.001 41.962 42.059 -0.163 0.000 0.906 658 L HN 0.106 nan 8.230 nan 0.000 0.436 659 L N -0.795 120.422 121.223 -0.009 0.000 2.046 659 L HA -0.170 4.163 4.340 -0.011 0.000 0.208 659 L C 2.598 179.494 176.870 0.045 0.000 1.077 659 L CA 1.221 56.077 54.840 0.027 0.000 0.747 659 L CB -0.660 41.444 42.059 0.076 0.000 0.896 659 L HN 0.196 nan 8.230 nan 0.000 0.432 660 S N -0.506 115.240 115.700 0.075 0.000 2.399 660 S HA -0.150 4.314 4.470 -0.011 0.000 0.231 660 S C 2.022 176.641 174.600 0.032 0.000 1.022 660 S CA 1.111 59.352 58.200 0.069 0.000 0.983 660 S CB -0.220 63.036 63.200 0.094 0.000 0.803 660 S HN 0.326 nan 8.310 nan 0.000 0.480 661 R N 0.190 120.699 120.500 0.014 0.000 2.280 661 R HA 0.054 4.388 4.340 -0.011 0.000 0.207 661 R C 1.353 177.648 176.300 -0.008 0.000 1.043 661 R CA 0.518 56.617 56.100 -0.002 0.000 1.006 661 R CB -0.186 30.104 30.300 -0.016 0.000 0.885 661 R HN 0.475 nan 8.270 nan 0.000 0.467 662 G N 1.468 110.263 108.800 -0.008 0.000 2.176 662 G HA2 -0.283 3.670 3.960 -0.011 0.000 0.252 662 G HA3 -0.283 3.670 3.960 -0.011 0.000 0.252 662 G C -0.287 174.602 174.900 -0.018 0.000 1.024 662 G CA 0.101 45.190 45.100 -0.018 0.000 0.755 662 G HN 0.447 nan 8.290 nan 0.000 0.507 663 E N 0.835 121.026 120.200 -0.015 0.000 2.325 663 E HA 0.239 4.582 4.350 -0.011 0.000 0.295 663 E C 1.552 178.159 176.600 0.011 0.000 1.461 663 E CA 0.395 56.791 56.400 -0.006 0.000 1.698 663 E CB -0.125 29.564 29.700 -0.018 0.000 1.496 663 E HN 0.492 nan 8.360 nan 0.000 0.474 664 T N -2.310 112.248 114.554 0.007 0.000 3.272 664 T HA 0.049 4.392 4.350 -0.011 0.000 0.250 664 T C 1.218 175.947 174.700 0.048 0.000 1.082 664 T CA -0.280 61.830 62.100 0.017 0.000 0.968 664 T CB -0.013 68.842 68.868 -0.022 0.000 1.015 664 T HN 0.123 nan 8.240 nan 0.000 0.563 665 K N 1.501 121.945 120.400 0.074 0.000 2.077 665 K HA -0.070 4.243 4.320 -0.011 0.000 0.213 665 K C 1.958 178.718 176.600 0.268 0.000 1.051 665 K CA 1.710 58.067 56.287 0.117 0.000 0.929 665 K CB -0.381 32.210 32.500 0.151 0.000 0.715 665 K HN 0.488 nan 8.250 nan 0.000 0.451 666 G N 0.379 109.343 108.800 0.274 0.000 3.863 666 G HA2 0.264 4.217 3.960 -0.011 0.000 0.290 666 G HA3 0.264 4.217 3.960 -0.011 0.000 0.290 666 G C -0.593 174.314 174.900 0.013 0.000 1.018 666 G CA -0.435 44.794 45.100 0.214 0.000 0.824 666 G HN -0.021 nan 8.290 nan 0.000 0.507 667 V N 1.948 121.915 119.914 0.089 0.000 2.364 667 V HA 0.328 4.441 4.120 -0.011 0.000 0.272 667 V C 0.148 176.303 176.094 0.101 0.000 1.036 667 V CA -1.225 61.137 62.300 0.105 0.000 0.880 667 V CB 0.607 32.488 31.823 0.097 0.000 0.991 667 V HN 0.324 nan 8.190 nan 0.000 0.460 668 F N 4.644 124.581 119.950 -0.021 0.000 2.635 668 F HA 0.084 4.604 4.527 -0.011 0.000 0.379 668 F C 1.316 177.123 175.800 0.011 0.000 1.094 668 F CA 1.254 59.243 58.000 -0.018 0.000 1.300 668 F CB 0.053 39.037 39.000 -0.028 0.000 1.035 668 F HN 0.836 nan 8.300 nan 0.000 0.581 669 Q N 1.815 121.158 119.800 -0.763 0.000 3.505 669 Q HA -0.274 4.060 4.340 -0.011 0.000 0.190 669 Q C -0.340 175.472 176.000 -0.313 0.000 1.642 669 Q CA 1.903 57.274 55.803 -0.721 0.000 0.959 669 Q CB -1.235 27.011 28.738 -0.820 0.000 0.844 669 Q HN 0.756 nan 8.270 nan 0.000 0.983 670 L N -1.402 119.697 121.223 -0.206 0.000 2.784 670 L HA 0.506 4.840 4.340 -0.011 0.000 0.241 670 L C 0.151 176.945 176.870 -0.127 0.000 1.352 670 L CA -0.027 54.713 54.840 -0.167 0.000 0.911 670 L CB 0.895 42.864 42.059 -0.150 0.000 1.227 670 L HN 0.091 nan 8.230 nan 0.000 0.501 671 E N -0.476 119.655 120.200 -0.115 0.000 2.511 671 E HA 0.190 4.533 4.350 -0.011 0.000 0.209 671 E C 0.008 176.552 176.600 -0.093 0.000 0.986 671 E CA -0.163 56.186 56.400 -0.085 0.000 0.974 671 E CB 0.732 30.396 29.700 -0.060 0.000 1.030 671 E HN 0.652 nan 8.360 nan 0.000 0.490 672 S N 0.584 116.219 115.700 -0.107 0.000 2.568 672 S HA 0.089 4.553 4.470 -0.011 0.000 0.282 672 S C 1.439 175.983 174.600 -0.094 0.000 1.338 672 S CA -0.004 58.147 58.200 -0.083 0.000 1.045 672 S CB 1.218 64.384 63.200 -0.056 0.000 0.873 672 S HN 0.345 nan 8.310 nan 0.000 0.516 673 G N 2.350 111.113 108.800 -0.061 0.000 2.553 673 G HA2 -0.208 3.746 3.960 -0.011 0.000 0.218 673 G HA3 -0.208 3.746 3.960 -0.011 0.000 0.218 673 G C 1.440 176.300 174.900 -0.066 0.000 1.195 673 G CA 0.837 45.901 45.100 -0.059 0.000 0.779 673 G HN 0.842 nan 8.290 nan 0.000 0.577 674 G N 0.347 109.132 108.800 -0.025 0.000 2.421 674 G HA2 -0.202 3.752 3.960 -0.011 0.000 0.216 674 G HA3 -0.202 3.752 3.960 -0.011 0.000 0.216 674 G C 1.800 176.571 174.900 -0.215 0.000 1.171 674 G CA 1.581 46.689 45.100 0.013 0.000 0.775 674 G HN 0.423 nan 8.290 nan 0.000 0.543 675 M N 1.138 120.449 119.600 -0.482 0.000 2.080 675 M HA -0.055 4.418 4.480 -0.011 0.000 0.260 675 M C 2.508 178.576 176.300 -0.388 0.000 1.068 675 M CA 2.259 57.089 55.300 -0.784 0.000 1.109 675 M CB -0.974 31.232 32.600 -0.656 0.000 1.342 675 M HN 0.142 nan 8.290 nan 0.000 0.405 676 T N 0.757 115.172 114.554 -0.231 0.000 2.665 676 T HA -0.152 4.191 4.350 -0.011 0.000 0.268 676 T C 1.812 176.443 174.700 -0.115 0.000 1.035 676 T CA 1.897 63.912 62.100 -0.141 0.000 1.151 676 T CB -0.820 67.990 68.868 -0.097 0.000 0.862 676 T HN 0.602 nan 8.240 nan 0.000 0.438 677 A N 1.244 124.001 122.820 -0.106 0.000 1.908 677 A HA -0.155 4.159 4.320 -0.011 0.000 0.218 677 A C 2.570 180.112 177.584 -0.070 0.000 1.181 677 A CA 2.246 54.242 52.037 -0.069 0.000 0.627 677 A CB -1.305 17.667 19.000 -0.047 0.000 0.818 677 A HN 0.504 nan 8.150 nan 0.000 0.445 678 T N -0.145 114.339 114.554 -0.117 0.000 2.746 678 T HA -0.120 4.224 4.350 -0.011 0.000 0.267 678 T C 1.869 176.511 174.700 -0.096 0.000 1.039 678 T CA 1.629 63.666 62.100 -0.105 0.000 1.142 678 T CB -0.487 68.279 68.868 -0.169 0.000 0.866 678 T HN 0.204 nan 8.240 nan 0.000 0.444 679 V N 1.300 121.143 119.914 -0.117 0.000 2.358 679 V HA -0.135 3.978 4.120 -0.011 0.000 0.246 679 V C 2.619 178.702 176.094 -0.018 0.000 1.047 679 V CA 1.450 63.709 62.300 -0.068 0.000 1.035 679 V CB -0.614 31.169 31.823 -0.067 0.000 0.658 679 V HN 0.344 nan 8.190 nan 0.000 0.452 680 R N 0.197 120.684 120.500 -0.021 0.000 2.127 680 R HA -0.135 4.198 4.340 -0.011 0.000 0.238 680 R C 2.397 178.714 176.300 0.029 0.000 1.134 680 R CA 1.553 57.656 56.100 0.004 0.000 0.975 680 R CB -0.658 29.637 30.300 -0.009 0.000 0.865 680 R HN 0.620 nan 8.270 nan 0.000 0.447 681 G N 0.707 109.522 108.800 0.024 0.000 2.394 681 G HA2 -0.217 3.736 3.960 -0.011 0.000 0.214 681 G HA3 -0.217 3.736 3.960 -0.011 0.000 0.214 681 G C 1.273 176.242 174.900 0.116 0.000 1.176 681 G CA 0.103 45.241 45.100 0.062 0.000 0.786 681 G HN 0.201 nan 8.290 nan 0.000 0.533 682 L N -0.011 121.237 121.223 0.041 0.000 2.056 682 L HA 0.162 4.496 4.340 -0.011 0.000 0.207 682 L C 0.893 177.815 176.870 0.087 0.000 1.078 682 L CA 1.203 56.040 54.840 -0.006 0.000 0.749 682 L CB -0.273 41.722 42.059 -0.106 0.000 0.901 682 L HN 0.134 nan 8.230 nan 0.000 0.433 683 K N 0.130 120.590 120.400 0.100 0.000 3.939 683 K HA -0.115 4.198 4.320 -0.011 0.000 0.281 683 K C -2.224 174.463 176.600 0.146 0.000 0.981 683 K CA 0.627 56.999 56.287 0.142 0.000 0.833 683 K CB -2.021 30.595 32.500 0.193 0.000 1.501 683 K HN 0.381 nan 8.250 nan 0.000 0.445 684 P HA 0.069 nan 4.420 nan 0.000 0.271 684 P C 0.201 177.523 177.300 0.037 0.000 1.218 684 P CA 0.026 63.177 63.100 0.085 0.000 0.780 684 P CB 0.600 32.397 31.700 0.162 0.000 0.901 685 R N 1.333 121.728 120.500 -0.174 0.000 2.369 685 R HA 0.162 4.496 4.340 -0.011 0.000 0.210 685 R C 0.918 176.595 176.300 -1.039 0.000 0.881 685 R CA 0.052 55.915 56.100 -0.396 0.000 1.031 685 R CB 0.490 30.737 30.300 -0.089 0.000 1.184 685 R HN 0.576 nan 8.270 nan 0.000 0.581 686 R N -0.407 119.574 120.500 -0.865 0.000 2.855 686 R HA 0.260 4.593 4.340 -0.011 0.000 0.266 686 R C 0.397 176.543 176.300 -0.257 0.000 1.034 686 R CA -0.826 54.863 56.100 -0.685 0.000 0.944 686 R CB 0.838 31.027 30.300 -0.184 0.000 1.219 686 R HN -0.138 nan 8.270 nan 0.000 0.474 687 L N 1.157 122.468 121.223 0.147 0.000 2.079 687 L HA -0.116 4.217 4.340 -0.011 0.000 0.210 687 L C 1.631 178.618 176.870 0.195 0.000 1.081 687 L CA 1.983 57.001 54.840 0.296 0.000 0.752 687 L CB -0.455 41.708 42.059 0.172 0.000 0.896 687 L HN 0.790 nan 8.230 nan 0.000 0.433 688 E N -0.203 120.106 120.200 0.182 0.000 2.209 688 E HA -0.205 4.138 4.350 -0.011 0.000 0.196 688 E C 1.800 178.509 176.600 0.180 0.000 0.993 688 E CA 1.246 57.766 56.400 0.200 0.000 0.819 688 E CB -0.238 29.599 29.700 0.229 0.000 0.745 688 E HN 0.565 nan 8.360 nan 0.000 0.477 689 D N -0.030 120.454 120.400 0.139 0.000 2.117 689 D HA -0.109 4.524 4.640 -0.011 0.000 0.198 689 D C 1.957 178.301 176.300 0.073 0.000 0.982 689 D CA 0.818 54.879 54.000 0.102 0.000 0.828 689 D CB -0.111 40.717 40.800 0.047 0.000 0.967 689 D HN 0.237 nan 8.370 nan 0.000 0.464 690 I N 1.131 121.779 120.570 0.130 0.000 2.179 690 I HA -0.235 3.929 4.170 -0.011 0.000 0.242 690 I C 2.457 178.609 176.117 0.058 0.000 1.088 690 I CA 0.738 62.100 61.300 0.104 0.000 1.357 690 I CB -0.206 37.901 38.000 0.178 0.000 1.051 690 I HN -0.053 nan 8.210 nan 0.000 0.409 691 I N 0.953 121.574 120.570 0.083 0.000 2.118 691 I HA -0.341 3.823 4.170 -0.011 0.000 0.241 691 I C 2.779 178.987 176.117 0.151 0.000 1.070 691 I CA 1.698 63.055 61.300 0.094 0.000 1.327 691 I CB -0.738 37.304 38.000 0.070 0.000 1.034 691 I HN 0.209 nan 8.210 nan 0.000 0.405 692 A N 0.543 123.456 122.820 0.154 0.000 1.929 692 A HA -0.142 4.172 4.320 -0.011 0.000 0.216 692 A C 2.242 179.748 177.584 -0.131 0.000 1.176 692 A CA 1.194 53.263 52.037 0.054 0.000 0.628 692 A CB -0.632 18.417 19.000 0.082 0.000 0.816 692 A HN 0.373 nan 8.150 nan 0.000 0.444 693 L N -0.124 121.016 121.223 -0.138 0.000 2.027 693 L HA -0.078 4.255 4.340 -0.011 0.000 0.206 693 L C 2.365 179.160 176.870 -0.125 0.000 1.074 693 L CA 1.803 56.535 54.840 -0.181 0.000 0.745 693 L CB -0.480 41.485 42.059 -0.157 0.000 0.898 693 L HN 0.147 nan 8.230 nan 0.000 0.433 694 V N -1.085 118.763 119.914 -0.109 0.000 2.515 694 V HA -0.216 3.897 4.120 -0.011 0.000 0.250 694 V C 2.508 178.450 176.094 -0.254 0.000 1.058 694 V CA 1.721 63.939 62.300 -0.137 0.000 1.064 694 V CB -0.531 31.224 31.823 -0.114 0.000 0.675 694 V HN 0.474 nan 8.190 nan 0.000 0.461 695 S N -0.007 115.522 115.700 -0.284 0.000 2.387 695 S HA -0.002 4.461 4.470 -0.011 0.000 0.226 695 S C 1.808 176.203 174.600 -0.341 0.000 1.026 695 S CA 1.272 59.154 58.200 -0.531 0.000 0.972 695 S CB -0.177 62.921 63.200 -0.170 0.000 0.814 695 S HN 0.476 nan 8.310 nan 0.000 0.477 696 L N -0.802 120.306 121.223 -0.191 0.000 2.375 696 L HA 0.181 4.514 4.340 -0.011 0.000 0.215 696 L C 0.560 177.375 176.870 -0.092 0.000 1.108 696 L CA 0.336 55.111 54.840 -0.107 0.000 0.830 696 L CB -0.131 41.861 42.059 -0.112 0.000 0.959 696 L HN 0.268 nan 8.230 nan 0.000 0.457 697 Y N 3.484 123.667 120.300 -0.195 0.000 2.573 697 Y HA 0.237 4.780 4.550 -0.011 0.000 0.346 697 Y C 0.386 176.186 175.900 -0.166 0.000 1.198 697 Y CA -0.521 57.474 58.100 -0.176 0.000 1.627 697 Y CB -0.501 37.860 38.460 -0.164 0.000 1.457 697 Y HN 0.119 nan 8.280 nan 0.000 0.483 698 R N 4.341 124.579 120.500 -0.437 0.000 2.739 698 R HA 0.367 4.701 4.340 -0.011 0.000 0.266 698 R C -3.504 172.376 176.300 -0.700 0.000 1.044 698 R CA -2.047 53.829 56.100 -0.374 0.000 0.885 698 R CB 0.621 30.900 30.300 -0.034 0.000 1.260 698 R HN 0.118 nan 8.270 nan 0.000 0.477 699 P HA -0.016 nan 4.420 nan 0.000 0.263 699 P C 0.614 176.038 177.300 -3.126 0.000 1.175 699 P CA 1.855 64.373 63.100 -0.969 0.000 0.761 699 P CB 0.842 32.458 31.700 -0.140 0.000 0.794 700 G N 4.471 112.852 108.800 -0.699 0.000 4.492 700 G HA2 -0.184 3.770 3.960 -0.011 0.000 0.265 700 G HA3 -0.184 3.770 3.960 -0.011 0.000 0.265 700 G C -1.673 172.862 174.900 -0.609 0.000 1.702 700 G CA 0.182 44.822 45.100 -0.767 0.000 1.266 700 G HN 0.408 nan 8.290 nan 0.000 0.643 701 P HA -0.027 nan 4.420 nan 0.000 0.225 701 P C 1.912 179.060 177.300 -0.254 0.000 1.148 701 P CA 1.796 64.765 63.100 -0.219 0.000 0.779 701 P CB -0.230 31.471 31.700 0.000 0.000 0.780 702 M N 1.925 121.293 119.600 -0.387 0.000 2.146 702 M HA -0.274 4.199 4.480 -0.011 0.000 0.251 702 M C 1.960 178.134 176.300 -0.210 0.000 1.083 702 M CA 2.469 57.570 55.300 -0.332 0.000 1.076 702 M CB -0.941 31.411 32.600 -0.415 0.000 1.332 702 M HN 0.022 nan 8.290 nan 0.000 0.400 703 E N -2.043 117.995 120.200 -0.270 0.000 2.204 703 E HA -0.242 4.102 4.350 -0.011 0.000 0.195 703 E C 1.414 177.929 176.600 -0.141 0.000 0.990 703 E CA 1.466 57.729 56.400 -0.228 0.000 0.821 703 E CB -0.789 28.733 29.700 -0.296 0.000 0.750 703 E HN 0.676 nan 8.360 nan 0.000 0.477 704 H N 0.357 119.445 119.070 0.029 0.000 2.555 704 H HA 0.112 4.662 4.556 -0.011 0.000 0.269 704 H C 1.894 177.272 175.328 0.083 0.000 0.988 704 H CA 0.695 56.800 56.048 0.096 0.000 1.178 704 H CB 0.028 29.903 29.762 0.188 0.000 1.373 704 H HN 0.317 nan 8.280 nan 0.000 0.588 705 I N 0.836 121.476 120.570 0.117 0.000 2.286 705 I HA -0.125 4.038 4.170 -0.011 0.000 0.245 705 I C -0.525 175.648 176.117 0.095 0.000 1.104 705 I CA 0.584 61.929 61.300 0.076 0.000 1.397 705 I CB -1.195 36.811 38.000 0.011 0.000 1.072 705 I HN 0.132 nan 8.210 nan 0.000 0.417 706 P HA -0.151 nan 4.420 nan 0.000 0.215 706 P C 1.597 178.934 177.300 0.061 0.000 1.153 706 P CA 1.751 64.884 63.100 0.054 0.000 0.853 706 P CB -0.238 31.483 31.700 0.035 0.000 0.788 707 T N -1.684 112.921 114.554 0.086 0.000 2.684 707 T HA -0.252 4.091 4.350 -0.011 0.000 0.267 707 T C 1.672 176.390 174.700 0.030 0.000 1.036 707 T CA 1.382 63.522 62.100 0.066 0.000 1.148 707 T CB -1.476 67.457 68.868 0.107 0.000 0.863 707 T HN 0.090 nan 8.240 nan 0.000 0.436 708 Y N 1.638 121.909 120.300 -0.049 0.000 2.114 708 Y HA -0.195 4.349 4.550 -0.011 0.000 0.282 708 Y C 2.157 177.917 175.900 -0.234 0.000 1.165 708 Y CA 1.224 59.245 58.100 -0.131 0.000 1.148 708 Y CB -0.430 37.989 38.460 -0.068 0.000 0.972 708 Y HN 0.151 nan 8.280 nan 0.000 0.504 709 I N -0.318 120.289 120.570 0.061 0.000 2.142 709 I HA -0.324 3.839 4.170 -0.011 0.000 0.240 709 I C 2.539 178.559 176.117 -0.163 0.000 1.078 709 I CA 1.515 62.763 61.300 -0.086 0.000 1.343 709 I CB -0.428 37.563 38.000 -0.015 0.000 1.046 709 I HN 0.132 nan 8.210 nan 0.000 0.405 710 R N 0.344 120.806 120.500 -0.064 0.000 2.096 710 R HA -0.122 4.212 4.340 -0.011 0.000 0.235 710 R C 2.455 178.693 176.300 -0.104 0.000 1.127 710 R CA 1.238 57.319 56.100 -0.032 0.000 0.968 710 R CB -0.170 30.125 30.300 -0.008 0.000 0.861 710 R HN 0.363 nan 8.270 nan 0.000 0.440 711 R N -1.285 119.083 120.500 -0.221 0.000 2.073 711 R HA -0.115 4.219 4.340 -0.011 0.000 0.229 711 R C 2.136 178.134 176.300 -0.504 0.000 1.120 711 R CA 1.386 57.283 56.100 -0.338 0.000 0.967 711 R CB -0.363 29.683 30.300 -0.424 0.000 0.862 711 R HN 0.324 nan 8.270 nan 0.000 0.436 712 H N 0.064 118.682 119.070 -0.754 0.000 2.387 712 H HA -0.079 4.471 4.556 -0.011 0.000 0.299 712 H C 0.977 176.132 175.328 -0.288 0.000 1.090 712 H CA 1.462 57.124 56.048 -0.643 0.000 1.332 712 H CB 0.116 29.512 29.762 -0.611 0.000 1.386 712 H HN 0.176 nan 8.280 nan 0.000 0.516 713 H N -0.041 118.948 119.070 -0.135 0.000 2.567 713 H HA 0.234 4.784 4.556 -0.011 0.000 0.294 713 H C 0.655 175.916 175.328 -0.113 0.000 1.050 713 H CA 0.321 56.300 56.048 -0.115 0.000 1.168 713 H CB -0.739 29.009 29.762 -0.023 0.000 1.422 713 H HN 0.553 nan 8.280 nan 0.000 0.562 714 G N 1.797 110.533 108.800 -0.107 0.000 2.256 714 G HA2 -0.279 3.674 3.960 -0.011 0.000 0.218 714 G HA3 -0.279 3.674 3.960 -0.011 0.000 0.218 714 G C 0.232 175.115 174.900 -0.027 0.000 0.485 714 G CA 0.434 45.497 45.100 -0.062 0.000 1.003 714 G HN 0.629 nan 8.290 nan 0.000 0.360 715 Q N -0.138 119.642 119.800 -0.034 0.000 1.610 715 Q HA 0.115 4.449 4.340 -0.011 0.000 0.155 715 Q C -0.067 175.922 176.000 -0.018 0.000 0.795 715 Q CA 0.250 56.045 55.803 -0.013 0.000 0.754 715 Q CB 0.728 29.471 28.738 0.008 0.000 1.223 715 Q HN 0.794 nan 8.270 nan 0.000 0.356 716 E N 1.289 121.470 120.200 -0.032 0.000 2.343 716 E HA 0.323 4.667 4.350 -0.011 0.000 0.288 716 E C -2.858 173.728 176.600 -0.024 0.000 0.907 716 E CA -1.893 54.490 56.400 -0.027 0.000 0.792 716 E CB 1.746 31.426 29.700 -0.033 0.000 1.275 716 E HN -0.181 nan 8.360 nan 0.000 0.402 717 P HA 0.008 nan 4.420 nan 0.000 0.267 717 P C -0.841 176.443 177.300 -0.028 0.000 1.200 717 P CA -0.305 62.790 63.100 -0.009 0.000 0.772 717 P CB 0.630 32.326 31.700 -0.007 0.000 0.855 718 V N 2.412 122.313 119.914 -0.022 0.000 2.320 718 V HA 0.323 4.436 4.120 -0.011 0.000 0.265 718 V C 0.542 176.522 176.094 -0.190 0.000 1.048 718 V CA -0.157 62.084 62.300 -0.098 0.000 0.865 718 V CB 0.153 31.969 31.823 -0.011 0.000 1.043 718 V HN 0.654 nan 8.190 nan 0.000 0.474 719 S N 4.327 119.861 115.700 -0.277 0.000 2.532 719 S HA 0.683 5.146 4.470 -0.011 0.000 0.301 719 S C -0.717 173.674 174.600 -0.348 0.000 1.083 719 S CA -0.567 57.514 58.200 -0.200 0.000 1.025 719 S CB 1.483 64.646 63.200 -0.062 0.000 1.056 719 S HN 0.497 nan 8.310 nan 0.000 0.494 720 Y N 1.860 122.198 120.300 0.064 0.000 2.713 720 Y HA 0.487 5.030 4.550 -0.011 0.000 0.269 720 Y C 1.688 177.634 175.900 0.077 0.000 1.106 720 Y CA -0.332 57.840 58.100 0.121 0.000 1.174 720 Y CB -0.142 38.404 38.460 0.145 0.000 1.186 720 Y HN 0.875 nan 8.280 nan 0.000 0.555 721 A N 0.054 122.932 122.820 0.096 0.000 2.019 721 A HA -0.189 4.125 4.320 -0.011 0.000 0.219 721 A C 1.844 179.394 177.584 -0.056 0.000 1.164 721 A CA 1.614 53.667 52.037 0.027 0.000 0.644 721 A CB -0.207 18.791 19.000 -0.004 0.000 0.805 721 A HN 0.562 nan 8.150 nan 0.000 0.449 722 E N -1.643 118.440 120.200 -0.195 0.000 2.418 722 E HA -0.026 4.317 4.350 -0.011 0.000 0.197 722 E C -0.713 175.403 176.600 -0.807 0.000 1.026 722 E CA 0.431 56.511 56.400 -0.534 0.000 0.862 722 E CB -0.049 29.191 29.700 -0.768 0.000 0.799 722 E HN 0.740 nan 8.360 nan 0.000 0.518 723 F N -0.336 119.707 119.950 0.154 0.000 2.646 723 F HA 0.244 4.765 4.527 -0.011 0.000 0.336 723 F C -1.931 173.953 175.800 0.140 0.000 1.437 723 F CA -1.911 56.193 58.000 0.172 0.000 1.142 723 F CB 1.307 40.427 39.000 0.200 0.000 1.530 723 F HN -0.113 nan 8.300 nan 0.000 0.591 724 P HA -0.195 nan 4.420 nan 0.000 0.218 724 P C 1.171 178.443 177.300 -0.047 0.000 1.149 724 P CA 1.773 64.886 63.100 0.022 0.000 0.817 724 P CB 0.180 31.821 31.700 -0.098 0.000 0.785 725 H N -0.770 118.388 119.070 0.147 0.000 2.512 725 H HA 0.259 4.808 4.556 -0.011 0.000 0.279 725 H C 1.772 177.198 175.328 0.162 0.000 0.999 725 H CA 1.068 57.191 56.048 0.126 0.000 1.283 725 H CB 0.039 29.875 29.762 0.123 0.000 1.421 725 H HN 0.154 nan 8.280 nan 0.000 0.554 726 A N 0.718 123.730 122.820 0.320 0.000 2.195 726 A HA -0.034 4.280 4.320 -0.011 0.000 0.210 726 A C 2.172 179.868 177.584 0.188 0.000 1.165 726 A CA 0.214 52.443 52.037 0.321 0.000 0.806 726 A CB 0.055 19.226 19.000 0.286 0.000 0.847 726 A HN 0.326 nan 8.150 nan 0.000 0.482 727 E N 1.607 121.865 120.200 0.097 0.000 2.097 727 E HA -0.294 4.049 4.350 -0.011 0.000 0.196 727 E C 1.772 178.252 176.600 -0.201 0.000 1.000 727 E CA 1.776 58.134 56.400 -0.069 0.000 0.804 727 E CB -0.160 29.522 29.700 -0.030 0.000 0.740 727 E HN 0.775 nan 8.360 nan 0.000 0.454 728 K N -0.746 119.515 120.400 -0.230 0.000 2.281 728 K HA -0.187 4.127 4.320 -0.011 0.000 0.203 728 K C 1.388 177.704 176.600 -0.473 0.000 1.046 728 K CA 1.600 57.654 56.287 -0.389 0.000 0.938 728 K CB -0.290 31.912 32.500 -0.496 0.000 0.737 728 K HN 0.318 nan 8.250 nan 0.000 0.458 729 Y N 0.839 121.096 120.300 -0.072 0.000 2.500 729 Y HA 0.176 4.719 4.550 -0.011 0.000 0.284 729 Y C 2.166 178.007 175.900 -0.098 0.000 1.118 729 Y CA -0.225 57.838 58.100 -0.062 0.000 1.241 729 Y CB 0.041 38.486 38.460 -0.025 0.000 1.171 729 Y HN -0.170 nan 8.280 nan 0.000 0.540 730 L N -0.192 121.022 121.223 -0.015 0.000 2.027 730 L HA -0.171 4.162 4.340 -0.011 0.000 0.206 730 L C 2.513 179.206 176.870 -0.296 0.000 1.074 730 L CA 1.315 56.079 54.840 -0.127 0.000 0.745 730 L CB -0.506 41.472 42.059 -0.135 0.000 0.898 730 L HN 0.134 nan 8.230 nan 0.000 0.433 731 R N 0.052 120.235 120.500 -0.528 0.000 2.097 731 R HA -0.175 4.158 4.340 -0.011 0.000 0.236 731 R C -0.127 176.075 176.300 -0.163 0.000 1.135 731 R CA 2.020 57.837 56.100 -0.472 0.000 0.934 731 R CB -1.536 28.518 30.300 -0.410 0.000 0.846 731 R HN 0.283 nan 8.270 nan 0.000 0.431 732 P HA -0.146 nan 4.420 nan 0.000 0.219 732 P C 0.999 178.294 177.300 -0.009 0.000 1.146 732 P CA 1.375 64.445 63.100 -0.049 0.000 0.808 732 P CB 0.007 31.686 31.700 -0.036 0.000 0.779 733 I N -1.853 118.719 120.570 0.002 0.000 2.296 733 I HA -0.112 4.052 4.170 -0.011 0.000 0.242 733 I C 1.908 178.057 176.117 0.053 0.000 1.087 733 I CA 1.169 62.494 61.300 0.043 0.000 1.393 733 I CB -0.369 37.663 38.000 0.053 0.000 1.093 733 I HN -0.181 nan 8.210 nan 0.000 0.421 734 L N -0.095 121.159 121.223 0.051 0.000 2.592 734 L HA 0.047 4.380 4.340 -0.011 0.000 0.227 734 L C 1.504 178.425 176.870 0.085 0.000 1.127 734 L CA 0.045 54.936 54.840 0.086 0.000 0.884 734 L CB -0.394 41.757 42.059 0.154 0.000 1.065 734 L HN 0.145 nan 8.230 nan 0.000 0.457 735 D N 1.069 121.501 120.400 0.053 0.000 2.084 735 D HA -0.239 4.395 4.640 -0.011 0.000 0.194 735 D C 1.958 178.164 176.300 -0.156 0.000 0.990 735 D CA 1.469 55.462 54.000 -0.012 0.000 0.826 735 D CB 0.064 40.853 40.800 -0.019 0.000 0.971 735 D HN 0.427 nan 8.370 nan 0.000 0.453 736 E N -0.371 119.776 120.200 -0.088 0.000 2.253 736 E HA -0.217 4.127 4.350 -0.011 0.000 0.202 736 E C 0.890 177.408 176.600 -0.137 0.000 1.014 736 E CA 1.643 57.990 56.400 -0.088 0.000 0.823 736 E CB -0.088 29.636 29.700 0.041 0.000 0.736 736 E HN 0.057 nan 8.360 nan 0.000 0.478 737 T N -1.249 113.242 114.554 -0.104 0.000 3.442 737 T HA 0.133 4.476 4.350 -0.011 0.000 0.295 737 T C -1.048 173.685 174.700 0.055 0.000 1.007 737 T CA -0.266 61.846 62.100 0.021 0.000 0.962 737 T CB -0.437 68.485 68.868 0.089 0.000 1.187 737 T HN 0.352 nan 8.240 nan 0.000 0.490 738 Y N -0.164 120.112 120.300 -0.039 0.000 3.108 738 Y HA -0.254 4.290 4.550 -0.011 0.000 0.208 738 Y C 1.505 177.352 175.900 -0.088 0.000 1.245 738 Y CA 0.946 58.986 58.100 -0.100 0.000 1.171 738 Y CB -2.090 36.212 38.460 -0.263 0.000 1.331 738 Y HN 0.575 nan 8.280 nan 0.000 0.534 739 G N -0.855 107.971 108.800 0.043 0.000 2.284 739 G HA2 -0.360 3.594 3.960 -0.011 0.000 0.261 739 G HA3 -0.360 3.594 3.960 -0.011 0.000 0.261 739 G C 0.250 175.074 174.900 -0.127 0.000 0.997 739 G CA 0.159 45.239 45.100 -0.033 0.000 0.621 739 G HN 0.570 nan 8.290 nan 0.000 0.534 740 I N 2.545 123.036 120.570 -0.132 0.000 2.396 740 I HA 0.300 4.464 4.170 -0.011 0.000 0.289 740 I C -2.110 173.793 176.117 -0.357 0.000 1.056 740 I CA -2.166 58.939 61.300 -0.325 0.000 1.365 740 I CB 1.276 39.199 38.000 -0.129 0.000 1.407 740 I HN -0.141 nan 8.210 nan 0.000 0.509 741 P HA 0.077 nan 4.420 nan 0.000 0.271 741 P C 0.485 177.649 177.300 -0.226 0.000 1.380 741 P CA 0.093 62.939 63.100 -0.423 0.000 0.992 741 P CB 0.709 32.071 31.700 -0.563 0.000 1.230 742 V N 2.875 122.651 119.914 -0.229 0.000 2.788 742 V HA 0.052 4.165 4.120 -0.011 0.000 0.241 742 V C 0.493 176.510 176.094 -0.127 0.000 1.083 742 V CA 0.887 63.019 62.300 -0.280 0.000 1.103 742 V CB -0.610 30.814 31.823 -0.664 0.000 0.800 742 V HN 0.330 nan 8.190 nan 0.000 0.476 743 Y N 0.324 120.737 120.300 0.189 0.000 2.361 743 Y HA 0.287 4.831 4.550 -0.011 0.000 0.332 743 Y C 1.565 177.550 175.900 0.142 0.000 1.101 743 Y CA -0.577 57.656 58.100 0.221 0.000 1.137 743 Y CB 1.133 39.694 38.460 0.169 0.000 1.207 743 Y HN -0.017 nan 8.280 nan 0.000 0.463 744 Q N 1.140 121.102 119.800 0.270 0.000 2.096 744 Q HA -0.234 4.099 4.340 -0.011 0.000 0.204 744 Q C 1.355 177.416 176.000 0.102 0.000 0.982 744 Q CA 2.020 57.890 55.803 0.112 0.000 0.850 744 Q CB -0.040 28.695 28.738 -0.005 0.000 0.901 744 Q HN 0.771 nan 8.270 nan 0.000 0.422 745 E N 0.698 120.977 120.200 0.131 0.000 2.118 745 E HA -0.204 4.140 4.350 -0.011 0.000 0.195 745 E C 1.924 178.601 176.600 0.127 0.000 0.992 745 E CA 1.139 57.605 56.400 0.109 0.000 0.804 745 E CB -0.016 29.742 29.700 0.097 0.000 0.741 745 E HN 0.362 nan 8.360 nan 0.000 0.458 746 Q N -0.197 119.710 119.800 0.178 0.000 2.084 746 Q HA -0.123 4.210 4.340 -0.011 0.000 0.202 746 Q C 2.242 178.290 176.000 0.080 0.000 0.978 746 Q CA 1.071 56.957 55.803 0.139 0.000 0.844 746 Q CB -0.125 28.701 28.738 0.145 0.000 0.898 746 Q HN 0.357 nan 8.270 nan 0.000 0.426 747 I N 0.363 120.973 120.570 0.067 0.000 2.163 747 I HA -0.305 3.859 4.170 -0.011 0.000 0.240 747 I C 2.419 178.557 176.117 0.036 0.000 1.081 747 I CA 1.157 62.475 61.300 0.031 0.000 1.353 747 I CB -0.219 37.788 38.000 0.011 0.000 1.054 747 I HN 0.231 nan 8.210 nan 0.000 0.407 748 M N -0.200 119.421 119.600 0.035 0.000 2.089 748 M HA -0.327 4.147 4.480 -0.011 0.000 0.257 748 M C 2.408 178.747 176.300 0.065 0.000 1.071 748 M CA 2.025 57.344 55.300 0.032 0.000 1.096 748 M CB -0.578 32.039 32.600 0.029 0.000 1.330 748 M HN 0.280 nan 8.290 nan 0.000 0.403 749 Q N 0.123 119.968 119.800 0.075 0.000 2.050 749 Q HA -0.128 4.205 4.340 -0.011 0.000 0.202 749 Q C 2.070 178.119 176.000 0.082 0.000 0.980 749 Q CA 1.367 57.219 55.803 0.082 0.000 0.840 749 Q CB -0.209 28.581 28.738 0.086 0.000 0.898 749 Q HN 0.561 nan 8.270 nan 0.000 0.424 750 I N 0.754 121.372 120.570 0.081 0.000 2.118 750 I HA -0.332 3.831 4.170 -0.011 0.000 0.241 750 I C 2.414 178.612 176.117 0.135 0.000 1.070 750 I CA 1.273 62.625 61.300 0.086 0.000 1.327 750 I CB -0.459 37.580 38.000 0.064 0.000 1.034 750 I HN 0.193 nan 8.210 nan 0.000 0.405 751 A N -0.689 122.253 122.820 0.204 0.000 2.019 751 A HA -0.207 4.106 4.320 -0.011 0.000 0.219 751 A C 2.450 180.237 177.584 0.339 0.000 1.164 751 A CA 2.068 54.343 52.037 0.396 0.000 0.644 751 A CB -0.591 18.615 19.000 0.343 0.000 0.805 751 A HN 0.422 nan 8.150 nan 0.000 0.449 752 S N -1.190 114.626 115.700 0.194 0.000 2.414 752 S HA -0.108 4.355 4.470 -0.011 0.000 0.227 752 S C 2.055 176.678 174.600 0.037 0.000 1.022 752 S CA 1.332 59.629 58.200 0.162 0.000 0.958 752 S CB -0.213 63.059 63.200 0.120 0.000 0.797 752 S HN 0.702 nan 8.310 nan 0.000 0.493 753 Q N -0.241 119.536 119.800 -0.037 0.000 2.226 753 Q HA 0.104 4.438 4.340 -0.011 0.000 0.199 753 Q C 2.247 177.930 176.000 -0.529 0.000 0.945 753 Q CA 0.997 56.678 55.803 -0.202 0.000 0.861 753 Q CB -0.108 28.569 28.738 -0.103 0.000 0.953 753 Q HN 0.381 nan 8.270 nan 0.000 0.490 754 V N 1.003 120.646 119.914 -0.453 0.000 2.307 754 V HA -0.188 3.926 4.120 -0.011 0.000 0.245 754 V C 2.077 177.860 176.094 -0.518 0.000 1.045 754 V CA 2.023 63.996 62.300 -0.545 0.000 1.024 754 V CB -0.551 31.126 31.823 -0.244 0.000 0.651 754 V HN 0.361 nan 8.190 nan 0.000 0.449 755 A N -1.145 121.389 122.820 -0.476 0.000 2.132 755 A HA 0.371 4.685 4.320 -0.011 0.000 0.213 755 A C 2.002 179.338 177.584 -0.414 0.000 1.154 755 A CA 1.170 52.849 52.037 -0.597 0.000 0.753 755 A CB -0.273 18.343 19.000 -0.640 0.000 0.826 755 A HN 1.222 nan 8.150 nan 0.000 0.469 756 G N -2.264 106.383 108.800 -0.256 0.000 2.159 756 G HA2 -0.315 3.639 3.960 -0.011 0.000 0.256 756 G HA3 -0.315 3.639 3.960 -0.011 0.000 0.256 756 G C 0.144 175.002 174.900 -0.070 0.000 0.977 756 G CA 0.219 45.221 45.100 -0.163 0.000 0.652 756 G HN 0.494 nan 8.290 nan 0.000 0.531 757 Y N 1.448 121.730 120.300 -0.030 0.000 2.788 757 Y HA 0.243 4.786 4.550 -0.011 0.000 0.341 757 Y C 1.543 177.460 175.900 0.028 0.000 1.258 757 Y CA 0.797 58.911 58.100 0.025 0.000 1.503 757 Y CB 0.562 39.066 38.460 0.074 0.000 1.325 757 Y HN 0.301 nan 8.280 nan 0.000 0.614 758 S N 3.224 119.081 115.700 0.263 0.000 2.549 758 S HA -0.028 4.436 4.470 -0.011 0.000 0.283 758 S C 0.938 175.623 174.600 0.141 0.000 1.320 758 S CA -0.907 57.392 58.200 0.163 0.000 1.058 758 S CB 0.521 63.804 63.200 0.139 0.000 0.882 758 S HN 0.684 nan 8.310 nan 0.000 0.498 759 L N 5.665 126.958 121.223 0.115 0.000 2.127 759 L HA 0.078 4.411 4.340 -0.011 0.000 0.211 759 L C 2.401 179.308 176.870 0.061 0.000 1.089 759 L CA 2.441 57.337 54.840 0.093 0.000 0.757 759 L CB -1.454 40.670 42.059 0.108 0.000 0.899 759 L HN 0.977 nan 8.230 nan 0.000 0.434 760 G N -1.659 107.181 108.800 0.067 0.000 2.408 760 G HA2 -0.226 3.728 3.960 -0.011 0.000 0.217 760 G HA3 -0.226 3.728 3.960 -0.011 0.000 0.217 760 G C 1.499 176.403 174.900 0.006 0.000 1.150 760 G CA 0.625 45.745 45.100 0.034 0.000 0.776 760 G HN 0.482 nan 8.290 nan 0.000 0.542 761 E N 0.395 120.607 120.200 0.020 0.000 2.107 761 E HA 0.031 4.374 4.350 -0.011 0.000 0.191 761 E C 2.916 179.389 176.600 -0.212 0.000 0.982 761 E CA 0.577 56.955 56.400 -0.036 0.000 0.809 761 E CB -0.135 29.616 29.700 0.085 0.000 0.756 761 E HN 0.391 nan 8.360 nan 0.000 0.459 762 A N 1.501 124.200 122.820 -0.201 0.000 1.978 762 A HA -0.273 4.041 4.320 -0.011 0.000 0.220 762 A C 1.809 179.302 177.584 -0.152 0.000 1.170 762 A CA 1.958 53.858 52.037 -0.229 0.000 0.636 762 A CB -0.504 18.456 19.000 -0.067 0.000 0.810 762 A HN 0.228 nan 8.150 nan 0.000 0.448 763 D N -0.057 120.287 120.400 -0.094 0.000 2.078 763 D HA -0.146 4.487 4.640 -0.011 0.000 0.193 763 D C 1.838 178.078 176.300 -0.099 0.000 0.990 763 D CA 1.541 55.493 54.000 -0.080 0.000 0.827 763 D CB -0.244 40.522 40.800 -0.058 0.000 0.975 763 D HN 0.409 nan 8.370 nan 0.000 0.451 764 L N -0.119 121.050 121.223 -0.089 0.000 2.043 764 L HA -0.182 4.152 4.340 -0.011 0.000 0.212 764 L C 2.496 179.289 176.870 -0.129 0.000 1.075 764 L CA 0.626 55.424 54.840 -0.071 0.000 0.752 764 L CB -0.641 41.412 42.059 -0.010 0.000 0.891 764 L HN 0.235 nan 8.230 nan 0.000 0.432 765 L N 0.157 121.258 121.223 -0.202 0.000 2.012 765 L HA -0.227 4.106 4.340 -0.011 0.000 0.210 765 L C 2.754 179.466 176.870 -0.264 0.000 1.073 765 L CA 1.766 56.417 54.840 -0.314 0.000 0.748 765 L CB -0.702 41.159 42.059 -0.330 0.000 0.891 765 L HN 0.141 nan 8.230 nan 0.000 0.431 766 R N -0.757 119.629 120.500 -0.190 0.000 2.105 766 R HA -0.151 4.183 4.340 -0.011 0.000 0.239 766 R C 2.278 178.491 176.300 -0.144 0.000 1.135 766 R CA 1.231 57.238 56.100 -0.155 0.000 0.967 766 R CB -0.079 30.155 30.300 -0.111 0.000 0.861 766 R HN 0.406 nan 8.270 nan 0.000 0.442 767 R N -0.130 120.291 120.500 -0.132 0.000 2.075 767 R HA -0.063 4.270 4.340 -0.011 0.000 0.232 767 R C 2.160 178.387 176.300 -0.121 0.000 1.126 767 R CA 1.353 57.387 56.100 -0.111 0.000 0.963 767 R CB -0.640 29.609 30.300 -0.085 0.000 0.858 767 R HN 0.239 nan 8.270 nan 0.000 0.435 768 A N 1.368 124.091 122.820 -0.160 0.000 2.014 768 A HA -0.035 4.279 4.320 -0.011 0.000 0.218 768 A C 2.263 179.748 177.584 -0.166 0.000 1.163 768 A CA 0.918 52.852 52.037 -0.171 0.000 0.652 768 A CB -0.295 18.521 19.000 -0.307 0.000 0.808 768 A HN 0.120 nan 8.150 nan 0.000 0.449 769 M N -0.729 118.755 119.600 -0.193 0.000 2.175 769 M HA -0.081 4.392 4.480 -0.011 0.000 0.264 769 M C 2.268 178.477 176.300 -0.151 0.000 1.063 769 M CA 1.558 56.752 55.300 -0.176 0.000 1.119 769 M CB -0.976 31.498 32.600 -0.210 0.000 1.377 769 M HN 0.498 nan 8.290 nan 0.000 0.415 770 G N 0.472 109.186 108.800 -0.144 0.000 2.408 770 G HA2 -0.140 3.813 3.960 -0.011 0.000 0.215 770 G HA3 -0.140 3.813 3.960 -0.011 0.000 0.215 770 G C 1.749 176.571 174.900 -0.130 0.000 1.156 770 G CA 0.263 45.276 45.100 -0.144 0.000 0.793 770 G HN 0.379 nan 8.290 nan 0.000 0.535 771 K N 0.106 120.444 120.400 -0.103 0.000 2.148 771 K HA -0.008 4.306 4.320 -0.011 0.000 0.204 771 K C 0.613 177.169 176.600 -0.074 0.000 1.050 771 K CA 0.536 56.776 56.287 -0.079 0.000 0.942 771 K CB -0.054 32.412 32.500 -0.056 0.000 0.724 771 K HN 0.127 nan 8.250 nan 0.000 0.446 772 K N 0.854 121.208 120.400 -0.077 0.000 3.096 772 K HA -0.196 4.118 4.320 -0.011 0.000 0.266 772 K C -0.432 176.150 176.600 -0.030 0.000 1.043 772 K CA 0.186 56.437 56.287 -0.059 0.000 0.758 772 K CB -1.167 31.286 32.500 -0.077 0.000 1.260 772 K HN 0.214 nan 8.250 nan 0.000 0.481 773 R N 1.043 121.533 120.500 -0.016 0.000 2.446 773 R HA -0.002 4.331 4.340 -0.011 0.000 0.314 773 R C 1.665 177.974 176.300 0.016 0.000 1.003 773 R CA 0.125 56.227 56.100 0.003 0.000 1.018 773 R CB 0.406 30.717 30.300 0.019 0.000 0.945 773 R HN 0.137 nan 8.270 nan 0.000 0.419 774 V N 4.164 124.083 119.914 0.009 0.000 2.308 774 V HA -0.405 3.708 4.120 -0.011 0.000 0.251 774 V C 1.280 177.388 176.094 0.023 0.000 1.055 774 V CA 2.507 64.814 62.300 0.012 0.000 1.105 774 V CB -0.462 31.366 31.823 0.009 0.000 0.785 774 V HN 0.869 nan 8.190 nan 0.000 0.479 775 E N -2.162 118.055 120.200 0.028 0.000 2.641 775 E HA 0.068 4.412 4.350 -0.011 0.000 0.224 775 E C 1.873 178.503 176.600 0.049 0.000 0.951 775 E CA -0.041 56.380 56.400 0.034 0.000 1.102 775 E CB 0.364 30.077 29.700 0.022 0.000 1.091 775 E HN 0.530 nan 8.360 nan 0.000 0.507 776 E N 0.956 121.193 120.200 0.062 0.000 2.338 776 E HA -0.123 4.221 4.350 -0.011 0.000 0.197 776 E C 1.586 178.296 176.600 0.183 0.000 1.007 776 E CA 0.649 57.106 56.400 0.096 0.000 0.849 776 E CB 0.179 29.934 29.700 0.092 0.000 0.774 776 E HN 0.257 nan 8.360 nan 0.000 0.506 777 M N 0.147 119.839 119.600 0.153 0.000 2.229 777 M HA -0.142 4.331 4.480 -0.011 0.000 0.264 777 M C 1.900 178.302 176.300 0.170 0.000 1.063 777 M CA 1.297 56.715 55.300 0.198 0.000 1.114 777 M CB -0.473 32.211 32.600 0.140 0.000 1.387 777 M HN 0.141 nan 8.290 nan 0.000 0.420 778 Q N -0.417 119.434 119.800 0.084 0.000 2.369 778 Q HA -0.119 4.214 4.340 -0.011 0.000 0.206 778 Q C 1.788 177.787 176.000 -0.002 0.000 0.963 778 Q CA 0.812 56.622 55.803 0.013 0.000 0.894 778 Q CB 0.076 28.817 28.738 0.006 0.000 0.965 778 Q HN 0.516 nan 8.270 nan 0.000 0.475 779 K N -0.269 120.150 120.400 0.033 0.000 2.062 779 K HA -0.088 4.226 4.320 -0.011 0.000 0.205 779 K C 1.829 178.396 176.600 -0.055 0.000 1.051 779 K CA 0.902 57.168 56.287 -0.035 0.000 0.941 779 K CB -0.038 32.413 32.500 -0.080 0.000 0.719 779 K HN 0.355 nan 8.250 nan 0.000 0.440 780 H N 0.625 119.732 119.070 0.062 0.000 2.389 780 H HA 0.015 4.565 4.556 -0.011 0.000 0.299 780 H C 2.214 177.528 175.328 -0.023 0.000 1.081 780 H CA 0.980 57.120 56.048 0.155 0.000 1.345 780 H CB 0.151 30.082 29.762 0.281 0.000 1.393 780 H HN 0.157 nan 8.280 nan 0.000 0.520 781 R N 0.666 121.028 120.500 -0.230 0.000 2.097 781 R HA -0.145 4.189 4.340 -0.011 0.000 0.236 781 R C 2.337 178.515 176.300 -0.204 0.000 1.135 781 R CA 1.201 56.938 56.100 -0.606 0.000 0.934 781 R CB -0.119 29.883 30.300 -0.496 0.000 0.846 781 R HN 0.296 nan 8.270 nan 0.000 0.431 782 E N 0.742 120.880 120.200 -0.103 0.000 2.077 782 E HA -0.212 4.132 4.350 -0.011 0.000 0.193 782 E C 1.971 178.552 176.600 -0.032 0.000 0.989 782 E CA 1.199 57.567 56.400 -0.053 0.000 0.800 782 E CB -0.017 29.655 29.700 -0.047 0.000 0.746 782 E HN 0.053 nan 8.360 nan 0.000 0.452 783 R N -0.236 120.255 120.500 -0.014 0.000 2.096 783 R HA -0.134 4.200 4.340 -0.011 0.000 0.235 783 R C 2.280 178.541 176.300 -0.065 0.000 1.127 783 R CA 1.398 57.477 56.100 -0.035 0.000 0.968 783 R CB -0.958 29.349 30.300 0.011 0.000 0.861 783 R HN 0.186 nan 8.270 nan 0.000 0.440 784 F N -0.126 119.773 119.950 -0.085 0.000 2.051 784 F HA -0.172 4.349 4.527 -0.011 0.000 0.296 784 F C 1.976 177.731 175.800 -0.075 0.000 1.122 784 F CA 1.898 59.874 58.000 -0.040 0.000 1.201 784 F CB -0.593 38.482 39.000 0.125 0.000 0.978 784 F HN -0.136 nan 8.300 nan 0.000 0.472 785 V N 0.900 120.875 119.914 0.101 0.000 2.332 785 V HA -0.340 3.773 4.120 -0.011 0.000 0.248 785 V C 2.546 178.584 176.094 -0.094 0.000 1.055 785 V CA 2.210 64.519 62.300 0.015 0.000 1.038 785 V CB -0.762 31.093 31.823 0.053 0.000 0.651 785 V HN 0.297 nan 8.190 nan 0.000 0.450 786 R N -0.096 120.345 120.500 -0.098 0.000 2.122 786 R HA -0.215 4.118 4.340 -0.011 0.000 0.236 786 R C 2.411 178.613 176.300 -0.165 0.000 1.129 786 R CA 2.088 58.118 56.100 -0.115 0.000 0.925 786 R CB -1.017 29.216 30.300 -0.111 0.000 0.850 786 R HN 0.591 nan 8.270 nan 0.000 0.431 787 G N -0.563 108.089 108.800 -0.247 0.000 2.443 787 G HA2 -0.193 3.760 3.960 -0.011 0.000 0.219 787 G HA3 -0.193 3.760 3.960 -0.011 0.000 0.219 787 G C 1.412 176.125 174.900 -0.311 0.000 1.131 787 G CA 0.728 45.655 45.100 -0.289 0.000 0.775 787 G HN 0.475 nan 8.290 nan 0.000 0.547 788 A N 0.833 123.427 122.820 -0.377 0.000 1.855 788 A HA 0.039 4.352 4.320 -0.011 0.000 0.215 788 A C 2.260 179.746 177.584 -0.164 0.000 1.191 788 A CA 1.868 53.701 52.037 -0.339 0.000 0.613 788 A CB -0.393 18.384 19.000 -0.372 0.000 0.829 788 A HN 0.309 nan 8.150 nan 0.000 0.442 789 K N -0.703 119.624 120.400 -0.121 0.000 2.001 789 K HA -0.221 4.092 4.320 -0.011 0.000 0.214 789 K C 2.098 178.652 176.600 -0.076 0.000 1.050 789 K CA 1.806 58.046 56.287 -0.078 0.000 0.934 789 K CB -0.248 32.214 32.500 -0.064 0.000 0.718 789 K HN 0.629 nan 8.250 nan 0.000 0.443 790 E N 0.045 120.190 120.200 -0.091 0.000 2.219 790 E HA -0.224 4.119 4.350 -0.011 0.000 0.198 790 E C 1.945 178.507 176.600 -0.063 0.000 0.998 790 E CA 1.125 57.479 56.400 -0.077 0.000 0.818 790 E CB 0.284 29.927 29.700 -0.094 0.000 0.741 790 E HN 0.159 nan 8.360 nan 0.000 0.477 791 R N -1.851 118.602 120.500 -0.079 0.000 2.056 791 R HA 0.154 4.488 4.340 -0.011 0.000 0.215 791 R C 1.792 178.116 176.300 0.039 0.000 1.205 791 R CA 1.282 57.358 56.100 -0.040 0.000 1.020 791 R CB -0.087 30.135 30.300 -0.131 0.000 0.911 791 R HN 0.251 nan 8.270 nan 0.000 0.451 792 G N 0.398 109.222 108.800 0.039 0.000 3.128 792 G HA2 0.048 4.001 3.960 -0.011 0.000 0.158 792 G HA3 0.048 4.001 3.960 -0.011 0.000 0.158 792 G C -0.105 174.808 174.900 0.021 0.000 1.289 792 G CA 0.185 45.340 45.100 0.091 0.000 0.829 792 G HN 0.120 nan 8.290 nan 0.000 0.618 793 V N 1.300 121.257 119.914 0.072 0.000 2.780 793 V HA 0.148 4.262 4.120 -0.011 0.000 0.301 793 V C -0.895 175.172 176.094 -0.044 0.000 1.168 793 V CA -0.092 62.242 62.300 0.058 0.000 1.305 793 V CB 0.503 32.413 31.823 0.145 0.000 0.858 793 V HN 0.382 nan 8.190 nan 0.000 0.502 794 P HA -0.064 nan 4.420 nan 0.000 0.239 794 P C 0.836 178.128 177.300 -0.014 0.000 1.184 794 P CA 1.221 64.256 63.100 -0.108 0.000 0.760 794 P CB -0.013 31.601 31.700 -0.144 0.000 0.884 795 E N -0.974 119.249 120.200 0.038 0.000 4.280 795 E HA -0.321 4.022 4.350 -0.011 0.000 0.363 795 E C 1.233 177.894 176.600 0.103 0.000 0.588 795 E CA 1.195 57.637 56.400 0.070 0.000 1.520 795 E CB -2.239 27.480 29.700 0.032 0.000 1.861 795 E HN 0.170 nan 8.360 nan 0.000 0.402 796 E N 1.656 121.912 120.200 0.094 0.000 2.077 796 E HA -0.155 4.188 4.350 -0.011 0.000 0.193 796 E C 1.737 178.441 176.600 0.173 0.000 0.989 796 E CA 2.241 58.707 56.400 0.111 0.000 0.800 796 E CB -0.158 29.594 29.700 0.087 0.000 0.746 796 E HN 0.662 nan 8.360 nan 0.000 0.452 797 E N 0.236 120.567 120.200 0.218 0.000 2.047 797 E HA -0.116 4.227 4.350 -0.011 0.000 0.191 797 E C 2.118 178.955 176.600 0.395 0.000 0.987 797 E CA 0.996 57.610 56.400 0.356 0.000 0.799 797 E CB -0.318 29.630 29.700 0.413 0.000 0.752 797 E HN 0.402 nan 8.360 nan 0.000 0.449 798 A N 2.228 125.237 122.820 0.316 0.000 1.869 798 A HA -0.307 4.006 4.320 -0.011 0.000 0.218 798 A C 1.914 179.741 177.584 0.405 0.000 1.203 798 A CA 2.031 54.306 52.037 0.397 0.000 0.638 798 A CB -0.845 18.326 19.000 0.284 0.000 0.831 798 A HN 0.191 nan 8.150 nan 0.000 0.450 799 N N -0.892 117.971 118.700 0.272 0.000 2.205 799 N HA -0.161 4.573 4.740 -0.011 0.000 0.186 799 N C 1.843 177.498 175.510 0.242 0.000 1.015 799 N CA 1.558 54.731 53.050 0.205 0.000 0.862 799 N CB -0.330 38.236 38.487 0.131 0.000 0.986 799 N HN 0.591 nan 8.380 nan 0.000 0.429 800 R N 0.060 120.732 120.500 0.287 0.000 2.210 800 R HA 0.091 4.424 4.340 -0.011 0.000 0.203 800 R C 1.960 178.511 176.300 0.419 0.000 1.010 800 R CA 0.052 56.347 56.100 0.325 0.000 1.008 800 R CB 0.002 30.491 30.300 0.314 0.000 0.923 800 R HN 0.054 nan 8.270 nan 0.000 0.469 801 L N -0.126 121.331 121.223 0.390 0.000 2.109 801 L HA -0.024 4.309 4.340 -0.011 0.000 0.207 801 L C 1.640 178.504 176.870 -0.010 0.000 1.086 801 L CA 1.602 56.474 54.840 0.053 0.000 0.760 801 L CB -0.535 41.518 42.059 -0.010 0.000 0.910 801 L HN 0.089 nan 8.230 nan 0.000 0.437 802 F N 0.427 120.273 119.950 -0.173 0.000 2.171 802 F HA -0.210 4.311 4.527 -0.011 0.000 0.300 802 F C 2.153 177.870 175.800 -0.139 0.000 1.090 802 F CA 1.731 59.505 58.000 -0.378 0.000 1.293 802 F CB -0.192 38.544 39.000 -0.440 0.000 1.013 802 F HN 0.208 nan 8.300 nan 0.000 0.486 803 D N -0.068 120.424 120.400 0.155 0.000 2.144 803 D HA -0.241 4.392 4.640 -0.011 0.000 0.199 803 D C 2.362 178.706 176.300 0.074 0.000 0.984 803 D CA 1.341 55.411 54.000 0.118 0.000 0.834 803 D CB -0.372 40.530 40.800 0.170 0.000 0.955 803 D HN 0.342 nan 8.370 nan 0.000 0.465 804 M N 0.220 119.896 119.600 0.125 0.000 2.132 804 M HA -0.111 4.363 4.480 -0.011 0.000 0.263 804 M C 2.048 178.447 176.300 0.166 0.000 1.065 804 M CA 0.912 56.342 55.300 0.216 0.000 1.122 804 M CB 0.044 32.797 32.600 0.254 0.000 1.365 804 M HN -0.016 nan 8.290 nan 0.000 0.411 805 L N 0.301 121.483 121.223 -0.069 0.000 1.994 805 L HA -0.240 4.094 4.340 -0.011 0.000 0.208 805 L C 2.428 179.188 176.870 -0.184 0.000 1.071 805 L CA 2.110 56.849 54.840 -0.167 0.000 0.745 805 L CB -1.194 40.609 42.059 -0.427 0.000 0.892 805 L HN 0.439 nan 8.230 nan 0.000 0.431 806 E N 0.750 120.757 120.200 -0.322 0.000 2.267 806 E HA -0.212 4.132 4.350 -0.011 0.000 0.197 806 E C 2.028 178.552 176.600 -0.126 0.000 0.998 806 E CA 1.159 57.411 56.400 -0.247 0.000 0.830 806 E CB -0.157 29.406 29.700 -0.229 0.000 0.751 806 E HN 0.453 nan 8.360 nan 0.000 0.491 807 A N 0.977 123.751 122.820 -0.077 0.000 1.854 807 A HA 0.011 4.325 4.320 -0.011 0.000 0.214 807 A C 1.771 179.275 177.584 -0.133 0.000 1.192 807 A CA 0.879 52.843 52.037 -0.122 0.000 0.611 807 A CB -0.692 18.204 19.000 -0.173 0.000 0.832 807 A HN 0.314 nan 8.150 nan 0.000 0.442 808 F N -0.165 119.817 119.950 0.052 0.000 2.615 808 F HA 0.175 4.696 4.527 -0.011 0.000 0.297 808 F C 2.472 178.303 175.800 0.052 0.000 1.124 808 F CA 0.552 58.613 58.000 0.101 0.000 1.451 808 F CB 0.093 39.139 39.000 0.077 0.000 1.103 808 F HN 0.250 nan 8.300 nan 0.000 0.569 809 A N -0.228 122.651 122.820 0.098 0.000 2.168 809 A HA -0.105 4.208 4.320 -0.011 0.000 0.215 809 A C 2.058 179.601 177.584 -0.069 0.000 1.152 809 A CA 0.999 53.039 52.037 0.004 0.000 0.716 809 A CB -0.528 18.416 19.000 -0.092 0.000 0.794 809 A HN 0.257 nan 8.150 nan 0.000 0.465 810 N N -0.966 117.638 118.700 -0.160 0.000 2.188 810 N HA -0.101 4.633 4.740 -0.011 0.000 0.184 810 N C 0.324 175.552 175.510 -0.470 0.000 1.018 810 N CA 1.356 54.147 53.050 -0.431 0.000 0.858 810 N CB -0.207 37.850 38.487 -0.716 0.000 0.989 810 N HN 0.688 nan 8.380 nan 0.000 0.426 811 Y N -0.363 120.001 120.300 0.106 0.000 2.660 811 Y HA 0.397 4.940 4.550 -0.011 0.000 0.254 811 Y C 1.408 177.464 175.900 0.261 0.000 1.176 811 Y CA -0.721 57.475 58.100 0.161 0.000 1.195 811 Y CB 0.242 38.760 38.460 0.097 0.000 1.190 811 Y HN -0.159 nan 8.280 nan 0.000 0.535 812 G N 0.391 109.404 108.800 0.354 0.000 2.684 812 G HA2 0.270 4.224 3.960 -0.011 0.000 0.255 812 G HA3 0.270 4.224 3.960 -0.011 0.000 0.255 812 G C -1.372 173.939 174.900 0.686 0.000 1.219 812 G CA 0.176 45.514 45.100 0.396 0.000 0.901 812 G HN 0.158 nan 8.290 nan 0.000 0.548 813 F N -0.887 119.176 119.950 0.189 0.000 2.654 813 F HA 0.347 4.867 4.527 -0.011 0.000 0.308 813 F C -0.194 175.770 175.800 0.273 0.000 1.108 813 F CA -1.122 57.019 58.000 0.236 0.000 0.957 813 F CB 1.853 41.014 39.000 0.269 0.000 1.309 813 F HN 0.506 nan 8.300 nan 0.000 0.446 814 N N 4.685 123.054 118.700 -0.553 0.000 2.399 814 N HA 0.052 4.786 4.740 -0.011 0.000 0.259 814 N C 0.796 176.256 175.510 -0.083 0.000 1.160 814 N CA 0.024 52.899 53.050 -0.291 0.000 0.946 814 N CB 0.799 39.059 38.487 -0.379 0.000 1.156 814 N HN 0.770 nan 8.380 nan 0.000 0.489 815 K N 2.308 122.681 120.400 -0.045 0.000 2.097 815 K HA -0.135 4.178 4.320 -0.011 0.000 0.205 815 K C 1.908 178.447 176.600 -0.102 0.000 1.050 815 K CA 1.517 57.690 56.287 -0.191 0.000 0.938 815 K CB 0.033 32.194 32.500 -0.565 0.000 0.718 815 K HN 0.680 nan 8.250 nan 0.000 0.442 816 S N 0.276 115.935 115.700 -0.068 0.000 2.359 816 S HA -0.261 4.202 4.470 -0.011 0.000 0.224 816 S C 2.092 176.693 174.600 0.001 0.000 1.035 816 S CA 1.413 59.584 58.200 -0.047 0.000 1.018 816 S CB -0.957 62.223 63.200 -0.033 0.000 0.876 816 S HN 0.478 nan 8.310 nan 0.000 0.448 817 H N 2.105 121.138 119.070 -0.062 0.000 2.321 817 H HA -0.012 4.538 4.556 -0.011 0.000 0.300 817 H C 2.374 177.747 175.328 0.075 0.000 1.087 817 H CA 1.554 57.581 56.048 -0.035 0.000 1.319 817 H CB -0.547 29.129 29.762 -0.143 0.000 1.379 817 H HN 0.524 nan 8.280 nan 0.000 0.501 818 A N 1.310 124.198 122.820 0.114 0.000 1.877 818 A HA -0.130 4.184 4.320 -0.011 0.000 0.216 818 A C 2.716 180.288 177.584 -0.020 0.000 1.186 818 A CA 1.933 54.055 52.037 0.141 0.000 0.620 818 A CB -1.162 18.063 19.000 0.376 0.000 0.822 818 A HN 0.589 nan 8.150 nan 0.000 0.443 819 A N -0.143 122.602 122.820 -0.125 0.000 1.858 819 A HA 0.123 4.437 4.320 -0.011 0.000 0.216 819 A C 2.564 180.013 177.584 -0.226 0.000 1.190 819 A CA 2.432 54.271 52.037 -0.330 0.000 0.617 819 A CB -1.226 17.403 19.000 -0.618 0.000 0.827 819 A HN 1.145 nan 8.150 nan 0.000 0.443 820 A N -1.395 121.358 122.820 -0.112 0.000 1.865 820 A HA -0.148 4.165 4.320 -0.011 0.000 0.217 820 A C 2.133 179.759 177.584 0.070 0.000 1.191 820 A CA 1.854 53.883 52.037 -0.014 0.000 0.623 820 A CB -0.924 18.115 19.000 0.066 0.000 0.826 820 A HN 0.571 nan 8.150 nan 0.000 0.444 821 Y N 0.844 121.076 120.300 -0.113 0.000 2.181 821 Y HA -0.149 4.395 4.550 -0.011 0.000 0.288 821 Y C 3.068 179.035 175.900 0.112 0.000 1.146 821 Y CA 1.075 59.198 58.100 0.037 0.000 1.164 821 Y CB -0.747 37.696 38.460 -0.028 0.000 0.982 821 Y HN 0.297 nan 8.280 nan 0.000 0.515 822 S N 0.237 116.023 115.700 0.145 0.000 2.392 822 S HA -0.246 4.218 4.470 -0.011 0.000 0.232 822 S C 2.180 176.855 174.600 0.126 0.000 1.041 822 S CA 1.383 59.643 58.200 0.100 0.000 1.026 822 S CB -0.748 62.461 63.200 0.015 0.000 0.845 822 S HN 0.425 nan 8.310 nan 0.000 0.465 823 L N 0.907 122.164 121.223 0.057 0.000 2.079 823 L HA -0.130 4.204 4.340 -0.011 0.000 0.210 823 L C 2.067 179.005 176.870 0.113 0.000 1.081 823 L CA 1.263 56.141 54.840 0.064 0.000 0.752 823 L CB -0.300 41.754 42.059 -0.008 0.000 0.896 823 L HN 0.351 nan 8.230 nan 0.000 0.433 824 L N -1.436 119.826 121.223 0.066 0.000 2.056 824 L HA -0.195 4.138 4.340 -0.011 0.000 0.207 824 L C 2.625 179.610 176.870 0.192 0.000 1.078 824 L CA 1.078 55.919 54.840 0.001 0.000 0.749 824 L CB -0.530 41.357 42.059 -0.286 0.000 0.901 824 L HN 0.211 nan 8.230 nan 0.000 0.433 825 S N -0.689 115.229 115.700 0.363 0.000 2.353 825 S HA -0.277 4.187 4.470 -0.011 0.000 0.222 825 S C 1.856 176.588 174.600 0.220 0.000 1.035 825 S CA 1.618 59.996 58.200 0.297 0.000 1.025 825 S CB -0.612 62.702 63.200 0.191 0.000 0.902 825 S HN 0.378 nan 8.310 nan 0.000 0.440 826 Y N 2.332 122.683 120.300 0.084 0.000 2.053 826 Y HA -0.300 4.243 4.550 -0.011 0.000 0.277 826 Y C 2.574 178.530 175.900 0.092 0.000 1.159 826 Y CA 2.053 60.176 58.100 0.038 0.000 1.125 826 Y CB -0.744 37.734 38.460 0.030 0.000 0.969 826 Y HN 0.271 nan 8.280 nan 0.000 0.492 827 Q N -0.816 119.104 119.800 0.199 0.000 2.045 827 Q HA -0.239 4.094 4.340 -0.011 0.000 0.206 827 Q C 2.184 178.293 176.000 0.182 0.000 0.991 827 Q CA 2.614 58.489 55.803 0.119 0.000 0.851 827 Q CB -0.511 28.214 28.738 -0.022 0.000 0.911 827 Q HN 0.488 nan 8.270 nan 0.000 0.418 828 T N 0.887 115.559 114.554 0.196 0.000 2.580 828 T HA -0.269 4.075 4.350 -0.011 0.000 0.265 828 T C 1.883 176.851 174.700 0.446 0.000 1.063 828 T CA 1.627 63.952 62.100 0.375 0.000 1.170 828 T CB -0.566 68.460 68.868 0.263 0.000 0.863 828 T HN 0.482 nan 8.240 nan 0.000 0.418 829 A N 0.368 123.290 122.820 0.170 0.000 1.917 829 A HA -0.175 4.139 4.320 -0.011 0.000 0.219 829 A C 2.097 179.537 177.584 -0.240 0.000 1.182 829 A CA 2.133 54.148 52.037 -0.036 0.000 0.633 829 A CB -1.230 17.704 19.000 -0.109 0.000 0.819 829 A HN 0.687 nan 8.150 nan 0.000 0.448 830 Y N 0.513 120.592 120.300 -0.367 0.000 2.128 830 Y HA -0.233 4.310 4.550 -0.011 0.000 0.284 830 Y C 2.350 178.129 175.900 -0.202 0.000 1.154 830 Y CA 2.130 60.027 58.100 -0.339 0.000 1.149 830 Y CB -0.320 37.909 38.460 -0.385 0.000 0.976 830 Y HN 0.085 nan 8.280 nan 0.000 0.505 831 V N 1.129 121.136 119.914 0.155 0.000 2.255 831 V HA -0.375 3.738 4.120 -0.011 0.000 0.247 831 V C 2.430 177.780 176.094 -1.240 0.000 1.051 831 V CA 2.481 64.827 62.300 0.076 0.000 1.018 831 V CB -0.802 31.593 31.823 0.954 0.000 0.641 831 V HN 0.400 nan 8.190 nan 0.000 0.445 832 K N -0.032 118.323 120.400 -3.408 0.000 2.152 832 K HA -0.203 4.110 4.320 -0.011 0.000 0.206 832 K C 2.111 178.117 176.600 -0.991 0.000 1.048 832 K CA 1.561 56.066 56.287 -2.970 0.000 0.933 832 K CB -0.273 31.407 32.500 -1.368 0.000 0.721 832 K HN 0.459 nan 8.250 nan 0.000 0.447 833 A N 0.487 122.831 122.820 -0.793 0.000 1.873 833 A HA -0.142 4.172 4.320 -0.011 0.000 0.215 833 A C 1.769 178.908 177.584 -0.742 0.000 1.186 833 A CA 1.293 52.925 52.037 -0.676 0.000 0.616 833 A CB -0.538 18.020 19.000 -0.736 0.000 0.823 833 A HN 0.389 nan 8.150 nan 0.000 0.442 834 H N -3.377 115.317 119.070 -0.627 0.000 2.582 834 H HA 0.196 4.746 4.556 -0.011 0.000 0.269 834 H C -0.606 174.269 175.328 -0.757 0.000 0.962 834 H CA 0.596 56.210 56.048 -0.723 0.000 1.230 834 H CB 0.310 29.535 29.762 -0.896 0.000 1.445 834 H HN 0.546 nan 8.280 nan 0.000 0.528 835 Y N 0.485 120.724 120.300 -0.102 0.000 2.331 835 Y HA 0.238 4.782 4.550 -0.011 0.000 0.326 835 Y C -1.954 173.956 175.900 0.017 0.000 1.020 835 Y CA -1.929 56.160 58.100 -0.018 0.000 1.136 835 Y CB 2.410 40.896 38.460 0.044 0.000 1.157 835 Y HN -0.061 nan 8.280 nan 0.000 0.444 836 P HA 0.027 nan 4.420 nan 0.000 0.225 836 P C 1.090 178.479 177.300 0.149 0.000 1.142 836 P CA 0.478 63.622 63.100 0.073 0.000 0.894 836 P CB 1.090 32.766 31.700 -0.041 0.000 0.895 837 V N 2.568 122.549 119.914 0.111 0.000 2.283 837 V HA -0.183 3.930 4.120 -0.011 0.000 0.243 837 V C 2.799 178.941 176.094 0.080 0.000 1.039 837 V CA 2.153 64.498 62.300 0.075 0.000 1.016 837 V CB -1.237 30.615 31.823 0.047 0.000 0.650 837 V HN 0.138 nan 8.190 nan 0.000 0.449 838 E N 0.287 120.547 120.200 0.099 0.000 2.085 838 E HA -0.291 4.053 4.350 -0.011 0.000 0.194 838 E C 2.171 178.815 176.600 0.074 0.000 0.994 838 E CA 1.601 58.038 56.400 0.061 0.000 0.801 838 E CB -0.915 28.809 29.700 0.040 0.000 0.743 838 E HN 0.538 nan 8.360 nan 0.000 0.453 839 F N 1.612 121.574 119.950 0.020 0.000 2.063 839 F HA -0.285 4.235 4.527 -0.010 0.000 0.298 839 F C 2.660 178.489 175.800 0.048 0.000 1.109 839 F CA 2.409 60.439 58.000 0.049 0.000 1.212 839 F CB -0.286 38.772 39.000 0.097 0.000 0.973 839 F HN 0.000 nan 8.300 nan 0.000 0.480 840 M N 0.311 119.979 119.600 0.113 0.000 2.175 840 M HA -0.037 4.437 4.480 -0.011 0.000 0.264 840 M C 2.150 178.312 176.300 -0.231 0.000 1.063 840 M CA 1.904 57.154 55.300 -0.083 0.000 1.119 840 M CB -0.608 31.976 32.600 -0.026 0.000 1.377 840 M HN 0.192 nan 8.290 nan 0.000 0.415 841 A N -0.536 122.192 122.820 -0.153 0.000 2.015 841 A HA 0.096 4.410 4.320 -0.011 0.000 0.219 841 A C 2.248 179.774 177.584 -0.096 0.000 1.163 841 A CA 1.646 53.591 52.037 -0.153 0.000 0.646 841 A CB -1.102 17.870 19.000 -0.047 0.000 0.806 841 A HN 0.597 nan 8.150 nan 0.000 0.448 842 A N -0.431 122.323 122.820 -0.110 0.000 1.930 842 A HA 0.123 4.437 4.320 -0.011 0.000 0.215 842 A C 2.093 179.839 177.584 0.271 0.000 1.176 842 A CA 1.069 53.038 52.037 -0.113 0.000 0.632 842 A CB -0.466 18.238 19.000 -0.492 0.000 0.819 842 A HN 0.432 nan 8.150 nan 0.000 0.445 843 L N -0.598 120.788 121.223 0.272 0.000 2.042 843 L HA -0.200 4.134 4.340 -0.011 0.000 0.210 843 L C 2.568 179.122 176.870 -0.526 0.000 1.076 843 L CA 1.108 55.707 54.840 -0.402 0.000 0.749 843 L CB -0.423 40.965 42.059 -1.119 0.000 0.893 843 L HN 0.400 nan 8.230 nan 0.000 0.432 844 L N -1.351 119.633 121.223 -0.397 0.000 1.994 844 L HA -0.243 4.091 4.340 -0.011 0.000 0.208 844 L C 2.833 179.810 176.870 0.178 0.000 1.071 844 L CA 1.493 56.219 54.840 -0.190 0.000 0.745 844 L CB -0.603 40.901 42.059 -0.926 0.000 0.892 844 L HN 0.222 nan 8.230 nan 0.000 0.431 845 S N -0.415 115.392 115.700 0.178 0.000 2.372 845 S HA -0.208 4.255 4.470 -0.011 0.000 0.227 845 S C 1.965 176.641 174.600 0.126 0.000 1.044 845 S CA 1.820 60.120 58.200 0.167 0.000 1.050 845 S CB -0.290 62.977 63.200 0.113 0.000 0.901 845 S HN 0.195 nan 8.310 nan 0.000 0.447 846 V N 1.532 121.541 119.914 0.159 0.000 2.490 846 V HA -0.037 4.077 4.120 -0.011 0.000 0.250 846 V C 1.426 177.596 176.094 0.125 0.000 1.061 846 V CA 1.710 64.116 62.300 0.177 0.000 1.064 846 V CB -0.498 31.534 31.823 0.348 0.000 0.670 846 V HN 0.552 nan 8.190 nan 0.000 0.461 847 E N -0.137 120.136 120.200 0.121 0.000 2.815 847 E HA 0.098 4.441 4.350 -0.011 0.000 0.211 847 E C 1.575 178.255 176.600 0.132 0.000 1.004 847 E CA -0.260 56.230 56.400 0.150 0.000 1.173 847 E CB 0.218 30.060 29.700 0.237 0.000 1.163 847 E HN 0.649 nan 8.360 nan 0.000 0.449 848 R N 0.212 120.730 120.500 0.029 0.000 2.193 848 R HA -0.085 4.248 4.340 -0.011 0.000 0.229 848 R C 1.017 177.251 176.300 -0.110 0.000 1.110 848 R CA 1.095 57.165 56.100 -0.050 0.000 0.988 848 R CB -0.233 29.957 30.300 -0.182 0.000 0.871 848 R HN 0.185 nan 8.270 nan 0.000 0.458 849 H N 0.017 119.157 119.070 0.116 0.000 2.539 849 H HA 0.129 4.679 4.556 -0.010 0.000 0.267 849 H C -0.340 175.035 175.328 0.077 0.000 0.982 849 H CA 0.101 56.202 56.048 0.088 0.000 1.146 849 H CB 0.137 29.954 29.762 0.093 0.000 1.382 849 H HN 0.238 nan 8.280 nan 0.000 0.577 850 D N 0.453 120.953 120.400 0.166 0.000 2.412 850 D HA 0.104 4.737 4.640 -0.011 0.000 0.224 850 D C 0.711 177.068 176.300 0.095 0.000 1.093 850 D CA -0.142 53.928 54.000 0.115 0.000 0.850 850 D CB 1.161 42.018 40.800 0.095 0.000 1.046 850 D HN -0.074 nan 8.370 nan 0.000 0.507 851 S N 2.685 118.432 115.700 0.079 0.000 2.382 851 S HA -0.142 4.322 4.470 -0.011 0.000 0.228 851 S C 1.206 175.834 174.600 0.046 0.000 1.027 851 S CA 0.764 59.005 58.200 0.068 0.000 0.991 851 S CB 0.168 63.395 63.200 0.044 0.000 0.823 851 S HN 0.557 nan 8.310 nan 0.000 0.469 852 D N 1.141 121.552 120.400 0.019 0.000 2.097 852 D HA -0.038 4.596 4.640 -0.011 0.000 0.197 852 D C 2.084 178.345 176.300 -0.065 0.000 0.984 852 D CA 0.918 54.909 54.000 -0.015 0.000 0.826 852 D CB -0.116 40.673 40.800 -0.019 0.000 0.973 852 D HN 0.196 nan 8.370 nan 0.000 0.460 853 K N 0.665 121.014 120.400 -0.086 0.000 2.025 853 K HA -0.048 4.266 4.320 -0.011 0.000 0.207 853 K C 2.296 178.780 176.600 -0.193 0.000 1.049 853 K CA 0.304 56.442 56.287 -0.248 0.000 0.933 853 K CB -0.709 31.686 32.500 -0.175 0.000 0.714 853 K HN 0.060 nan 8.250 nan 0.000 0.438 854 V N 1.847 121.798 119.914 0.061 0.000 2.282 854 V HA -0.307 3.806 4.120 -0.011 0.000 0.249 854 V C 2.525 178.712 176.094 0.155 0.000 1.057 854 V CA 2.129 64.555 62.300 0.212 0.000 1.032 854 V CB -0.820 31.187 31.823 0.306 0.000 0.645 854 V HN 0.341 nan 8.190 nan 0.000 0.447 855 A N -0.817 122.064 122.820 0.101 0.000 1.892 855 A HA -0.316 3.998 4.320 -0.011 0.000 0.218 855 A C 2.315 179.913 177.584 0.022 0.000 1.188 855 A CA 2.236 54.322 52.037 0.082 0.000 0.631 855 A CB -0.606 18.419 19.000 0.041 0.000 0.822 855 A HN 0.631 nan 8.150 nan 0.000 0.447 856 E N -1.100 119.052 120.200 -0.080 0.000 2.031 856 E HA -0.225 4.119 4.350 -0.011 0.000 0.193 856 E C 1.900 178.435 176.600 -0.108 0.000 0.994 856 E CA 1.607 57.917 56.400 -0.150 0.000 0.800 856 E CB -0.308 29.211 29.700 -0.301 0.000 0.752 856 E HN 0.797 nan 8.360 nan 0.000 0.447 857 Y N 0.459 120.725 120.300 -0.057 0.000 2.207 857 Y HA -0.198 4.345 4.550 -0.011 0.000 0.287 857 Y C 2.437 178.253 175.900 -0.141 0.000 1.156 857 Y CA 0.651 58.680 58.100 -0.118 0.000 1.182 857 Y CB -0.056 38.293 38.460 -0.186 0.000 0.979 857 Y HN 0.105 nan 8.280 nan 0.000 0.521 858 I N 0.505 121.096 120.570 0.035 0.000 2.179 858 I HA -0.329 3.835 4.170 -0.011 0.000 0.242 858 I C 2.600 178.740 176.117 0.038 0.000 1.088 858 I CA 1.708 63.009 61.300 0.002 0.000 1.357 858 I CB -0.389 37.675 38.000 0.107 0.000 1.051 858 I HN 0.242 nan 8.210 nan 0.000 0.409 859 R N 0.626 121.157 120.500 0.051 0.000 2.189 859 R HA -0.141 4.192 4.340 -0.011 0.000 0.223 859 R C 1.365 177.686 176.300 0.034 0.000 1.092 859 R CA 1.540 57.669 56.100 0.048 0.000 0.989 859 R CB -0.459 29.869 30.300 0.047 0.000 0.876 859 R HN 0.259 nan 8.270 nan 0.000 0.457 860 D N 1.552 121.974 120.400 0.038 0.000 2.097 860 D HA -0.047 4.586 4.640 -0.011 0.000 0.197 860 D C 2.002 178.321 176.300 0.032 0.000 0.984 860 D CA 1.831 55.857 54.000 0.044 0.000 0.826 860 D CB -0.259 40.595 40.800 0.090 0.000 0.973 860 D HN 0.392 nan 8.370 nan 0.000 0.460 861 A N 1.105 123.935 122.820 0.017 0.000 1.898 861 A HA -0.150 4.164 4.320 -0.011 0.000 0.216 861 A C 2.155 179.741 177.584 0.004 0.000 1.181 861 A CA 1.075 53.108 52.037 -0.006 0.000 0.620 861 A CB -0.257 18.707 19.000 -0.060 0.000 0.819 861 A HN 0.044 nan 8.150 nan 0.000 0.442 862 R N -0.322 120.187 120.500 0.016 0.000 2.092 862 R HA -0.022 4.312 4.340 -0.011 0.000 0.231 862 R C 1.568 177.882 176.300 0.024 0.000 1.119 862 R CA 1.171 57.288 56.100 0.028 0.000 0.970 862 R CB -0.710 29.620 30.300 0.050 0.000 0.864 862 R HN 0.441 nan 8.270 nan 0.000 0.440 863 A N 0.673 123.506 122.820 0.023 0.000 2.840 863 A HA 0.191 4.505 4.320 -0.011 0.000 0.269 863 A C 1.058 178.647 177.584 0.009 0.000 1.439 863 A CA 0.115 52.161 52.037 0.016 0.000 1.083 863 A CB -0.152 18.858 19.000 0.017 0.000 1.019 863 A HN 0.218 nan 8.150 nan 0.000 0.607 864 L N -2.550 118.677 121.223 0.006 0.000 3.679 864 L HA 0.490 4.824 4.340 -0.011 0.000 0.342 864 L C 0.386 177.253 176.870 -0.005 0.000 1.170 864 L CA 1.221 56.060 54.840 -0.002 0.000 1.221 864 L CB 0.861 42.920 42.059 0.001 0.000 1.654 864 L HN 0.601 nan 8.230 nan 0.000 0.628 865 G N 0.287 109.088 108.800 0.002 0.000 2.352 865 G HA2 0.473 4.426 3.960 -0.011 0.000 0.305 865 G HA3 0.473 4.426 3.960 -0.011 0.000 0.305 865 G C -1.467 173.439 174.900 0.010 0.000 1.537 865 G CA -0.139 44.963 45.100 0.003 0.000 0.959 865 G HN 0.248 nan 8.290 nan 0.000 0.668 866 I N -0.928 119.650 120.570 0.013 0.000 1.607 866 I HA 0.158 4.322 4.170 -0.011 0.000 0.314 866 I C -2.787 173.345 176.117 0.025 0.000 3.123 866 I CA -1.300 60.012 61.300 0.020 0.000 1.029 866 I CB 0.861 38.870 38.000 0.015 0.000 2.485 866 I HN 0.720 nan 8.210 nan 0.000 0.691 867 P HA 0.687 nan 4.420 nan 0.000 0.306 867 P C -1.317 176.018 177.300 0.059 0.000 1.399 867 P CA -0.610 62.516 63.100 0.043 0.000 0.992 867 P CB 2.594 34.318 31.700 0.040 0.000 1.148 868 V N 3.910 123.873 119.914 0.083 0.000 2.334 868 V HA 0.325 4.438 4.120 -0.011 0.000 0.281 868 V C 0.280 176.485 176.094 0.185 0.000 1.016 868 V CA -0.521 61.855 62.300 0.126 0.000 0.832 868 V CB 1.159 33.059 31.823 0.127 0.000 0.999 868 V HN 0.419 nan 8.190 nan 0.000 0.439 869 L N 6.803 128.148 121.223 0.203 0.000 2.331 869 L HA 0.574 4.907 4.340 -0.011 0.000 0.275 869 L C -2.329 174.707 176.870 0.277 0.000 1.022 869 L CA -2.027 52.923 54.840 0.183 0.000 0.812 869 L CB 1.883 44.008 42.059 0.110 0.000 1.257 869 L HN 0.368 nan 8.230 nan 0.000 0.435 870 P HA 0.089 nan 4.420 nan 0.000 0.271 870 P C -2.481 174.839 177.300 0.034 0.000 1.233 870 P CA -0.820 62.281 63.100 0.003 0.000 0.789 870 P CB -0.282 31.373 31.700 -0.076 0.000 0.951 871 P HA 0.133 nan 4.420 nan 0.000 0.274 871 P C -1.094 176.179 177.300 -0.045 0.000 1.260 871 P CA 0.387 63.483 63.100 -0.006 0.000 0.793 871 P CB 0.392 32.056 31.700 -0.059 0.000 1.048 872 D N -1.276 119.104 120.400 -0.032 0.000 2.738 872 D HA 0.136 4.770 4.640 -0.011 0.000 0.218 872 D C 0.886 177.180 176.300 -0.010 0.000 1.345 872 D CA -0.716 53.248 54.000 -0.059 0.000 0.943 872 D CB 1.001 41.770 40.800 -0.052 0.000 1.514 872 D HN 0.036 nan 8.370 nan 0.000 0.585 873 V N 1.990 121.886 119.914 -0.029 0.000 2.546 873 V HA -0.134 3.980 4.120 -0.011 0.000 0.254 873 V C 1.347 177.612 176.094 0.285 0.000 1.076 873 V CA 1.396 63.761 62.300 0.109 0.000 1.087 873 V CB -0.604 31.217 31.823 -0.004 0.000 0.674 873 V HN 0.576 nan 8.190 nan 0.000 0.470 874 N N 0.531 119.345 118.700 0.190 0.000 2.395 874 N HA 0.084 4.817 4.740 -0.011 0.000 0.175 874 N C 1.959 177.542 175.510 0.121 0.000 1.029 874 N CA 1.142 54.314 53.050 0.203 0.000 0.897 874 N CB 0.173 38.745 38.487 0.141 0.000 0.991 874 N HN 0.584 nan 8.380 nan 0.000 0.441 875 R N -0.483 120.067 120.500 0.082 0.000 2.310 875 R HA 0.288 4.622 4.340 -0.011 0.000 0.199 875 R C 0.330 176.670 176.300 0.067 0.000 0.891 875 R CA -0.105 56.033 56.100 0.063 0.000 1.060 875 R CB 0.355 30.679 30.300 0.040 0.000 1.188 875 R HN -0.120 nan 8.270 nan 0.000 0.607 876 S N 0.759 116.499 115.700 0.066 0.000 2.560 876 S HA 0.234 4.697 4.470 -0.011 0.000 0.284 876 S C 0.497 175.144 174.600 0.079 0.000 1.327 876 S CA -0.103 58.132 58.200 0.058 0.000 1.055 876 S CB 1.234 64.456 63.200 0.036 0.000 0.868 876 S HN 0.380 nan 8.310 nan 0.000 0.506 877 G N 0.623 109.466 108.800 0.072 0.000 2.531 877 G HA2 0.447 4.401 3.960 -0.011 0.000 0.281 877 G HA3 0.447 4.401 3.960 -0.011 0.000 0.281 877 G C 0.346 175.320 174.900 0.122 0.000 1.382 877 G CA -0.568 44.597 45.100 0.109 0.000 1.045 877 G HN 0.608 nan 8.290 nan 0.000 0.533 878 F N -0.573 119.389 119.950 0.020 0.000 2.113 878 F HA 0.102 4.622 4.527 -0.012 0.000 0.297 878 F C 1.173 176.954 175.800 -0.032 0.000 1.103 878 F CA 1.424 59.431 58.000 0.012 0.000 1.248 878 F CB 0.264 39.280 39.000 0.027 0.000 0.999 878 F HN 0.283 nan 8.300 nan 0.000 0.475 879 D N -1.524 118.920 120.400 0.072 0.000 2.595 879 D HA 0.161 4.794 4.640 -0.011 0.000 0.268 879 D C -0.856 175.380 176.300 -0.106 0.000 1.181 879 D CA -0.565 53.399 54.000 -0.059 0.000 1.085 879 D CB 0.624 41.492 40.800 0.113 0.000 1.186 879 D HN -0.156 nan 8.370 nan 0.000 0.621 880 F N 1.020 120.929 119.950 -0.069 0.000 2.607 880 F HA 0.095 4.616 4.527 -0.010 0.000 0.374 880 F C 1.200 176.970 175.800 -0.050 0.000 1.104 880 F CA 0.743 58.679 58.000 -0.105 0.000 1.296 880 F CB 0.477 39.376 39.000 -0.168 0.000 1.085 880 F HN -0.087 nan 8.300 nan 0.000 0.584 881 K N 2.098 122.586 120.400 0.146 0.000 2.469 881 K HA 0.627 4.940 4.320 -0.011 0.000 0.254 881 K C -1.857 174.791 176.600 0.080 0.000 0.939 881 K CA -0.779 55.563 56.287 0.091 0.000 0.812 881 K CB 2.014 34.554 32.500 0.067 0.000 1.301 881 K HN 0.348 nan 8.250 nan 0.000 0.433 882 V N 3.874 123.821 119.914 0.056 0.000 2.318 882 V HA 0.279 4.392 4.120 -0.011 0.000 0.271 882 V C -0.538 175.579 176.094 0.039 0.000 1.030 882 V CA -0.838 61.489 62.300 0.045 0.000 0.844 882 V CB 1.193 33.036 31.823 0.034 0.000 1.015 882 V HN 0.448 nan 8.190 nan 0.000 0.460 883 V N 5.417 125.355 119.914 0.040 0.000 2.347 883 V HA 0.741 4.854 4.120 -0.011 0.000 0.280 883 V C 1.214 177.326 176.094 0.030 0.000 1.021 883 V CA 0.740 63.061 62.300 0.034 0.000 0.847 883 V CB 0.324 32.169 31.823 0.037 0.000 0.990 883 V HN 1.115 nan 8.190 nan 0.000 0.444 884 G N 4.984 113.799 108.800 0.025 0.000 3.181 884 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.322 884 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.322 884 G C 0.442 175.356 174.900 0.023 0.000 1.246 884 G CA 0.626 45.739 45.100 0.022 0.000 0.989 884 G HN 0.622 nan 8.290 nan 0.000 0.607 885 E N 2.498 122.712 120.200 0.024 0.000 3.191 885 E HA 0.318 4.661 4.350 -0.011 0.000 0.192 885 E C -0.045 176.571 176.600 0.026 0.000 0.972 885 E CA 0.222 56.636 56.400 0.024 0.000 1.266 885 E CB 0.685 30.397 29.700 0.020 0.000 1.076 885 E HN 0.756 nan 8.360 nan 0.000 0.462 886 E N 0.136 120.355 120.200 0.031 0.000 2.312 886 E HA 0.547 4.890 4.350 -0.011 0.000 0.267 886 E C -0.242 176.385 176.600 0.045 0.000 0.894 886 E CA -0.801 55.622 56.400 0.038 0.000 0.773 886 E CB 2.410 32.135 29.700 0.042 0.000 1.241 886 E HN -0.029 nan 8.360 nan 0.000 0.432 887 I N 2.131 122.731 120.570 0.051 0.000 2.353 887 I HA 0.248 4.412 4.170 -0.011 0.000 0.293 887 I C -0.994 175.189 176.117 0.109 0.000 0.992 887 I CA -0.800 60.538 61.300 0.063 0.000 1.268 887 I CB 0.799 38.809 38.000 0.016 0.000 1.387 887 I HN 0.187 nan 8.210 nan 0.000 0.478 888 L N 7.613 128.913 121.223 0.129 0.000 2.376 888 L HA 0.513 4.847 4.340 -0.011 0.000 0.275 888 L C -0.707 176.237 176.870 0.123 0.000 0.987 888 L CA -0.256 54.668 54.840 0.140 0.000 0.828 888 L CB 1.068 43.182 42.059 0.093 0.000 1.249 888 L HN 0.252 nan 8.230 nan 0.000 0.409 889 F N 2.633 122.588 119.950 0.007 0.000 2.628 889 F HA 0.337 4.858 4.527 -0.011 0.000 0.362 889 F C 1.544 177.155 175.800 -0.316 0.000 1.148 889 F CA 1.513 59.342 58.000 -0.284 0.000 1.352 889 F CB 0.615 39.487 39.000 -0.212 0.000 1.081 889 F HN 0.639 nan 8.300 nan 0.000 0.605 890 G N 2.957 111.558 108.800 -0.332 0.000 2.580 890 G HA2 0.339 4.292 3.960 -0.011 0.000 0.278 890 G HA3 0.339 4.292 3.960 -0.011 0.000 0.278 890 G C 0.637 175.420 174.900 -0.195 0.000 1.212 890 G CA -0.703 44.248 45.100 -0.247 0.000 0.939 890 G HN 0.720 nan 8.290 nan 0.000 0.513 891 L N 0.420 121.525 121.223 -0.197 0.000 2.270 891 L HA -0.027 4.306 4.340 -0.011 0.000 0.210 891 L C 3.044 179.764 176.870 -0.250 0.000 1.104 891 L CA 1.230 55.977 54.840 -0.155 0.000 0.804 891 L CB -0.174 41.859 42.059 -0.044 0.000 0.937 891 L HN 0.656 nan 8.230 nan 0.000 0.450 892 S N 0.219 115.604 115.700 -0.526 0.000 2.469 892 S HA -0.107 4.356 4.470 -0.011 0.000 0.238 892 S C 2.011 176.444 174.600 -0.278 0.000 0.998 892 S CA 0.748 58.606 58.200 -0.570 0.000 0.957 892 S CB -0.277 62.157 63.200 -1.277 0.000 0.764 892 S HN 0.342 nan 8.310 nan 0.000 0.514 893 A N 1.175 123.849 122.820 -0.243 0.000 2.119 893 A HA 0.340 4.654 4.320 -0.011 0.000 0.217 893 A C 0.975 178.498 177.584 -0.101 0.000 1.153 893 A CA 0.346 52.313 52.037 -0.116 0.000 0.692 893 A CB -0.541 18.454 19.000 -0.008 0.000 0.799 893 A HN 0.424 nan 8.150 nan 0.000 0.458 894 V N 1.105 120.947 119.914 -0.120 0.000 2.614 894 V HA 0.062 4.175 4.120 -0.011 0.000 0.291 894 V C 1.257 177.312 176.094 -0.064 0.000 1.049 894 V CA -0.424 61.813 62.300 -0.105 0.000 1.038 894 V CB 1.109 32.872 31.823 -0.101 0.000 0.980 894 V HN 0.328 nan 8.190 nan 0.000 0.481 895 K N 2.940 123.305 120.400 -0.058 0.000 2.025 895 K HA -0.053 4.261 4.320 -0.011 0.000 0.207 895 K C 1.407 177.996 176.600 -0.018 0.000 1.049 895 K CA 1.339 57.606 56.287 -0.033 0.000 0.933 895 K CB -0.068 32.411 32.500 -0.036 0.000 0.714 895 K HN 0.616 nan 8.250 nan 0.000 0.438 896 N N 0.319 119.006 118.700 -0.021 0.000 2.392 896 N HA -0.015 4.718 4.740 -0.011 0.000 0.177 896 N C 0.063 175.573 175.510 0.000 0.000 1.066 896 N CA 0.058 53.102 53.050 -0.010 0.000 0.895 896 N CB 0.331 38.809 38.487 -0.015 0.000 0.988 896 N HN -0.139 nan 8.380 nan 0.000 0.457 897 V N 1.908 121.821 119.914 -0.001 0.000 2.493 897 V HA 0.109 4.223 4.120 -0.011 0.000 0.292 897 V C 1.540 177.653 176.094 0.033 0.000 1.016 897 V CA -0.194 62.116 62.300 0.017 0.000 1.097 897 V CB 0.149 31.978 31.823 0.010 0.000 0.947 897 V HN 0.179 nan 8.190 nan 0.000 0.479 898 G N 3.510 112.338 108.800 0.046 0.000 2.590 898 G HA2 0.052 4.006 3.960 -0.011 0.000 0.276 898 G HA3 0.052 4.006 3.960 -0.011 0.000 0.276 898 G C 0.719 175.680 174.900 0.103 0.000 1.337 898 G CA 0.220 45.356 45.100 0.060 0.000 1.030 898 G HN 0.833 nan 8.290 nan 0.000 0.534 899 E N -1.129 119.148 120.200 0.128 0.000 2.216 899 E HA 0.007 4.350 4.350 -0.011 0.000 0.192 899 E C 2.552 179.274 176.600 0.202 0.000 0.973 899 E CA 0.052 56.592 56.400 0.232 0.000 0.851 899 E CB -0.021 29.817 29.700 0.229 0.000 0.804 899 E HN 0.533 nan 8.360 nan 0.000 0.477 900 M N 0.485 120.153 119.600 0.115 0.000 2.159 900 M HA -0.101 4.373 4.480 -0.011 0.000 0.263 900 M C 2.454 178.811 176.300 0.095 0.000 1.063 900 M CA 1.489 56.839 55.300 0.083 0.000 1.110 900 M CB -0.188 32.442 32.600 0.051 0.000 1.374 900 M HN 0.187 nan 8.290 nan 0.000 0.411 901 A N 0.599 123.478 122.820 0.098 0.000 1.898 901 A HA -0.007 4.306 4.320 -0.011 0.000 0.216 901 A C 2.424 180.087 177.584 0.132 0.000 1.181 901 A CA 1.844 53.938 52.037 0.094 0.000 0.620 901 A CB -0.912 18.134 19.000 0.077 0.000 0.819 901 A HN 0.475 nan 8.150 nan 0.000 0.442 902 A N -0.323 122.603 122.820 0.176 0.000 1.883 902 A HA -0.186 4.128 4.320 -0.011 0.000 0.217 902 A C 2.246 179.998 177.584 0.280 0.000 1.186 902 A CA 1.885 54.057 52.037 0.225 0.000 0.624 902 A CB -0.469 18.678 19.000 0.244 0.000 0.822 902 A HN 0.495 nan 8.150 nan 0.000 0.444 903 R N -0.624 120.042 120.500 0.275 0.000 2.081 903 R HA -0.047 4.287 4.340 -0.011 0.000 0.235 903 R C 2.471 178.845 176.300 0.124 0.000 1.131 903 R CA 1.346 57.546 56.100 0.167 0.000 0.960 903 R CB -0.506 29.825 30.300 0.052 0.000 0.856 903 R HN 0.524 nan 8.270 nan 0.000 0.436 904 A N 0.981 123.865 122.820 0.107 0.000 1.873 904 A HA -0.231 4.082 4.320 -0.011 0.000 0.218 904 A C 2.131 179.781 177.584 0.110 0.000 1.193 904 A CA 1.784 53.870 52.037 0.081 0.000 0.629 904 A CB -0.750 18.285 19.000 0.057 0.000 0.826 904 A HN 0.270 nan 8.150 nan 0.000 0.447 905 I N -0.417 120.239 120.570 0.144 0.000 2.118 905 I HA -0.325 3.839 4.170 -0.011 0.000 0.241 905 I C 2.470 178.764 176.117 0.296 0.000 1.070 905 I CA 1.618 63.052 61.300 0.223 0.000 1.327 905 I CB -0.423 37.726 38.000 0.248 0.000 1.034 905 I HN 0.317 nan 8.210 nan 0.000 0.405 906 L N -0.034 121.329 121.223 0.233 0.000 2.046 906 L HA -0.204 4.129 4.340 -0.011 0.000 0.208 906 L C 2.632 179.578 176.870 0.127 0.000 1.077 906 L CA 1.184 56.142 54.840 0.197 0.000 0.747 906 L CB -0.648 41.522 42.059 0.184 0.000 0.896 906 L HN 0.241 nan 8.230 nan 0.000 0.432 907 E N -0.191 120.069 120.200 0.100 0.000 2.107 907 E HA -0.221 4.122 4.350 -0.011 0.000 0.191 907 E C 2.016 178.638 176.600 0.036 0.000 0.982 907 E CA 0.912 57.345 56.400 0.054 0.000 0.809 907 E CB -0.109 29.615 29.700 0.039 0.000 0.756 907 E HN 0.382 nan 8.360 nan 0.000 0.459 908 E N 1.471 121.707 120.200 0.060 0.000 2.106 908 E HA -0.146 4.197 4.350 -0.011 0.000 0.192 908 E C 2.024 178.584 176.600 -0.067 0.000 0.984 908 E CA 1.055 57.472 56.400 0.029 0.000 0.806 908 E CB -0.097 29.657 29.700 0.089 0.000 0.750 908 E HN 0.070 nan 8.360 nan 0.000 0.458 909 R N -0.100 120.368 120.500 -0.054 0.000 2.235 909 R HA -0.069 4.265 4.340 -0.011 0.000 0.213 909 R C 1.224 177.449 176.300 -0.126 0.000 1.059 909 R CA 1.080 57.035 56.100 -0.241 0.000 0.997 909 R CB 0.130 30.389 30.300 -0.069 0.000 0.884 909 R HN 0.131 nan 8.270 nan 0.000 0.462 910 E N 0.278 120.450 120.200 -0.047 0.000 2.190 910 E HA -0.106 4.237 4.350 -0.011 0.000 0.191 910 E C 1.889 178.466 176.600 -0.038 0.000 0.978 910 E CA 0.755 57.137 56.400 -0.029 0.000 0.839 910 E CB 0.159 29.859 29.700 -0.000 0.000 0.787 910 E HN 0.505 nan 8.360 nan 0.000 0.473 911 R N 0.600 121.075 120.500 -0.042 0.000 2.090 911 R HA 0.135 4.468 4.340 -0.011 0.000 0.219 911 R C 1.350 177.620 176.300 -0.051 0.000 1.100 911 R CA 1.035 57.113 56.100 -0.037 0.000 0.991 911 R CB -0.478 29.807 30.300 -0.024 0.000 0.893 911 R HN -0.048 nan 8.270 nan 0.000 0.443 912 G N 0.082 108.834 108.800 -0.080 0.000 2.547 912 G HA2 0.474 4.428 3.960 -0.011 0.000 0.291 912 G HA3 0.474 4.428 3.960 -0.011 0.000 0.291 912 G C -0.139 174.678 174.900 -0.138 0.000 1.211 912 G CA -0.438 44.603 45.100 -0.100 0.000 0.950 912 G HN 0.355 nan 8.290 nan 0.000 0.504 913 G N -0.435 108.288 108.800 -0.130 0.000 2.486 913 G HA2 0.516 4.469 3.960 -0.011 0.000 0.272 913 G HA3 0.516 4.469 3.960 -0.011 0.000 0.272 913 G C -2.122 172.649 174.900 -0.216 0.000 1.426 913 G CA -0.694 44.333 45.100 -0.122 0.000 1.058 913 G HN 0.589 nan 8.290 nan 0.000 0.531 914 P HA 0.151 nan 4.420 nan 0.000 0.271 914 P C -0.709 176.552 177.300 -0.064 0.000 1.218 914 P CA -0.152 62.887 63.100 -0.102 0.000 0.780 914 P CB 0.428 32.145 31.700 0.029 0.000 0.901 915 F N 1.761 121.848 119.950 0.229 0.000 2.538 915 F HA 0.061 4.581 4.527 -0.011 0.000 0.371 915 F C 1.978 177.961 175.800 0.305 0.000 1.087 915 F CA 0.282 58.462 58.000 0.300 0.000 1.250 915 F CB 0.168 39.478 39.000 0.516 0.000 1.110 915 F HN 0.182 nan 8.300 nan 0.000 0.570 916 K N 1.158 121.753 120.400 0.326 0.000 2.211 916 K HA 0.069 4.383 4.320 -0.011 0.000 0.201 916 K C 0.440 177.113 176.600 0.122 0.000 1.052 916 K CA 0.732 57.146 56.287 0.212 0.000 0.973 916 K CB 0.111 32.681 32.500 0.116 0.000 0.766 916 K HN 0.744 nan 8.250 nan 0.000 0.466 917 S N -1.498 114.094 115.700 -0.180 0.000 2.661 917 S HA 0.182 4.646 4.470 -0.011 0.000 0.268 917 S C 0.454 174.402 174.600 -1.087 0.000 1.162 917 S CA -0.795 57.007 58.200 -0.663 0.000 0.817 917 S CB 0.476 63.514 63.200 -0.269 0.000 1.141 917 S HN -0.072 nan 8.310 nan 0.000 0.477 918 L N 1.857 122.484 121.223 -0.993 0.000 2.046 918 L HA 0.248 4.582 4.340 -0.011 0.000 0.208 918 L C 2.306 179.066 176.870 -0.184 0.000 1.077 918 L CA 2.767 57.265 54.840 -0.570 0.000 0.747 918 L CB -1.325 40.550 42.059 -0.307 0.000 0.896 918 L HN 1.001 nan 8.230 nan 0.000 0.432 919 G N -1.074 107.616 108.800 -0.184 0.000 2.433 919 G HA2 -0.364 3.590 3.960 -0.011 0.000 0.216 919 G HA3 -0.364 3.590 3.960 -0.011 0.000 0.216 919 G C 1.348 176.375 174.900 0.213 0.000 1.186 919 G CA 0.884 45.968 45.100 -0.026 0.000 0.779 919 G HN 0.478 nan 8.290 nan 0.000 0.543 920 D N -0.367 120.100 120.400 0.111 0.000 2.158 920 D HA -0.162 4.471 4.640 -0.011 0.000 0.197 920 D C 1.997 178.455 176.300 0.263 0.000 0.995 920 D CA 0.674 54.786 54.000 0.188 0.000 0.846 920 D CB -0.323 40.567 40.800 0.149 0.000 0.941 920 D HN 0.252 nan 8.370 nan 0.000 0.456 921 F N 0.337 120.313 119.950 0.043 0.000 2.113 921 F HA -0.003 4.517 4.527 -0.011 0.000 0.297 921 F C 2.082 177.894 175.800 0.020 0.000 1.103 921 F CA 1.100 59.087 58.000 -0.022 0.000 1.248 921 F CB -0.128 38.696 39.000 -0.294 0.000 0.999 921 F HN -0.032 nan 8.300 nan 0.000 0.475 922 L N 0.552 121.891 121.223 0.193 0.000 2.156 922 L HA -0.176 4.157 4.340 -0.011 0.000 0.208 922 L C 2.455 179.367 176.870 0.070 0.000 1.095 922 L CA 1.544 56.468 54.840 0.139 0.000 0.770 922 L CB -0.689 41.505 42.059 0.225 0.000 0.914 922 L HN 0.180 nan 8.230 nan 0.000 0.439 923 K N -0.315 120.151 120.400 0.109 0.000 2.167 923 K HA -0.067 4.246 4.320 -0.011 0.000 0.203 923 K C 2.101 178.693 176.600 -0.013 0.000 1.052 923 K CA 0.556 56.848 56.287 0.008 0.000 0.956 923 K CB -0.130 32.355 32.500 -0.024 0.000 0.735 923 K HN 0.168 nan 8.250 nan 0.000 0.451 924 R N 0.626 121.133 120.500 0.012 0.000 2.090 924 R HA 0.127 4.461 4.340 -0.011 0.000 0.228 924 R C 0.390 176.657 176.300 -0.056 0.000 1.110 924 R CA 0.652 56.756 56.100 0.005 0.000 0.973 924 R CB -0.097 30.262 30.300 0.098 0.000 0.869 924 R HN 0.185 nan 8.270 nan 0.000 0.440 925 L N 3.140 124.272 121.223 -0.152 0.000 2.337 925 L HA 0.335 4.669 4.340 -0.011 0.000 0.269 925 L C -2.185 174.615 176.870 -0.117 0.000 1.018 925 L CA -2.177 52.552 54.840 -0.185 0.000 0.876 925 L CB 1.628 43.443 42.059 -0.407 0.000 1.236 925 L HN -0.115 nan 8.230 nan 0.000 0.436 926 P HA -0.054 nan 4.420 nan 0.000 0.270 926 P C 0.416 177.700 177.300 -0.026 0.000 1.227 926 P CA -0.124 62.951 63.100 -0.041 0.000 0.788 926 P CB 1.083 32.762 31.700 -0.035 0.000 0.926 927 E N 0.525 120.719 120.200 -0.010 0.000 2.265 927 E HA -0.203 4.140 4.350 -0.011 0.000 0.196 927 E C 1.665 178.265 176.600 0.000 0.000 0.996 927 E CA 0.969 57.371 56.400 0.003 0.000 0.832 927 E CB 0.106 29.811 29.700 0.008 0.000 0.756 927 E HN 0.361 nan 8.360 nan 0.000 0.491 928 Q N -0.256 119.540 119.800 -0.006 0.000 2.152 928 Q HA -0.166 4.167 4.340 -0.011 0.000 0.206 928 Q C 2.234 178.233 176.000 -0.001 0.000 0.985 928 Q CA 1.459 57.259 55.803 -0.005 0.000 0.863 928 Q CB -0.143 28.589 28.738 -0.009 0.000 0.904 928 Q HN 0.282 nan 8.270 nan 0.000 0.422 929 V N -0.326 119.586 119.914 -0.004 0.000 2.490 929 V HA -0.007 4.107 4.120 -0.011 0.000 0.238 929 V C 1.025 177.126 176.094 0.012 0.000 1.056 929 V CA 0.559 62.860 62.300 0.002 0.000 1.075 929 V CB 0.487 32.306 31.823 -0.008 0.000 0.746 929 V HN -0.040 nan 8.190 nan 0.000 0.479 930 V N 3.761 123.679 119.914 0.007 0.000 2.240 930 V HA 0.313 4.426 4.120 -0.011 0.000 0.265 930 V C -0.038 176.078 176.094 0.037 0.000 1.073 930 V CA -0.954 61.367 62.300 0.033 0.000 0.857 930 V CB -0.015 31.838 31.823 0.051 0.000 1.114 930 V HN 0.762 nan 8.190 nan 0.000 0.469 931 N N 2.915 121.632 118.700 0.028 0.000 2.297 931 N HA 0.038 4.771 4.740 -0.011 0.000 0.232 931 N C 1.091 176.616 175.510 0.025 0.000 1.311 931 N CA -0.288 52.775 53.050 0.022 0.000 0.897 931 N CB 0.790 39.286 38.487 0.014 0.000 1.137 931 N HN 0.416 nan 8.380 nan 0.000 0.449 932 K N -0.125 120.286 120.400 0.018 0.000 2.063 932 K HA -0.247 4.067 4.320 -0.011 0.000 0.208 932 K C 1.962 178.561 176.600 -0.001 0.000 1.048 932 K CA 1.279 57.574 56.287 0.013 0.000 0.928 932 K CB -0.106 32.399 32.500 0.008 0.000 0.713 932 K HN 0.587 nan 8.250 nan 0.000 0.442 933 R N 0.656 121.154 120.500 -0.003 0.000 2.083 933 R HA -0.140 4.194 4.340 -0.011 0.000 0.237 933 R C 1.999 178.291 176.300 -0.014 0.000 1.137 933 R CA 1.899 57.992 56.100 -0.012 0.000 0.951 933 R CB -0.695 29.601 30.300 -0.008 0.000 0.851 933 R HN 0.279 nan 8.270 nan 0.000 0.434 934 A N 0.686 123.507 122.820 0.002 0.000 1.865 934 A HA -0.137 4.176 4.320 -0.011 0.000 0.217 934 A C 2.298 179.885 177.584 0.005 0.000 1.191 934 A CA 1.745 53.786 52.037 0.008 0.000 0.623 934 A CB -0.828 18.189 19.000 0.029 0.000 0.826 934 A HN 0.382 nan 8.150 nan 0.000 0.444 935 L N -0.671 120.565 121.223 0.022 0.000 2.043 935 L HA -0.288 4.045 4.340 -0.011 0.000 0.212 935 L C 2.640 179.485 176.870 -0.042 0.000 1.075 935 L CA 1.996 56.846 54.840 0.016 0.000 0.752 935 L CB -0.643 41.443 42.059 0.045 0.000 0.891 935 L HN 0.500 nan 8.230 nan 0.000 0.432 936 E N -0.549 119.619 120.200 -0.053 0.000 2.031 936 E HA -0.193 4.151 4.350 -0.011 0.000 0.193 936 E C 2.345 178.872 176.600 -0.120 0.000 0.994 936 E CA 1.546 57.888 56.400 -0.097 0.000 0.800 936 E CB -0.069 29.572 29.700 -0.098 0.000 0.752 936 E HN 0.352 nan 8.360 nan 0.000 0.447 937 S N 0.894 116.539 115.700 -0.092 0.000 2.359 937 S HA -0.169 4.295 4.470 -0.011 0.000 0.224 937 S C 1.891 176.429 174.600 -0.103 0.000 1.035 937 S CA 0.748 58.893 58.200 -0.093 0.000 1.018 937 S CB -0.275 62.885 63.200 -0.066 0.000 0.876 937 S HN 0.103 nan 8.310 nan 0.000 0.448 938 L N 1.664 122.832 121.223 -0.093 0.000 2.043 938 L HA -0.106 4.227 4.340 -0.011 0.000 0.212 938 L C 2.257 179.043 176.870 -0.141 0.000 1.075 938 L CA 1.487 56.259 54.840 -0.113 0.000 0.752 938 L CB -0.881 41.117 42.059 -0.102 0.000 0.891 938 L HN 0.149 nan 8.230 nan 0.000 0.432 939 V N -0.713 119.119 119.914 -0.137 0.000 2.261 939 V HA -0.320 3.793 4.120 -0.011 0.000 0.246 939 V C 2.467 178.488 176.094 -0.122 0.000 1.047 939 V CA 1.946 64.167 62.300 -0.131 0.000 1.015 939 V CB -0.603 31.147 31.823 -0.123 0.000 0.642 939 V HN 0.441 nan 8.190 nan 0.000 0.446 940 K N 0.289 120.608 120.400 -0.135 0.000 2.147 940 K HA -0.124 4.189 4.320 -0.011 0.000 0.205 940 K C 2.224 178.778 176.600 -0.076 0.000 1.049 940 K CA 1.395 57.619 56.287 -0.105 0.000 0.936 940 K CB -0.384 32.035 32.500 -0.134 0.000 0.722 940 K HN 0.492 nan 8.250 nan 0.000 0.446 941 A N 0.387 123.139 122.820 -0.113 0.000 1.969 941 A HA 0.022 4.336 4.320 -0.011 0.000 0.218 941 A C 1.673 179.172 177.584 -0.143 0.000 1.169 941 A CA 1.561 53.509 52.037 -0.148 0.000 0.635 941 A CB -0.392 18.504 19.000 -0.172 0.000 0.810 941 A HN 0.447 nan 8.150 nan 0.000 0.445 942 G N -2.798 105.928 108.800 -0.124 0.000 2.148 942 G HA2 0.070 4.023 3.960 -0.011 0.000 0.203 942 G HA3 0.070 4.023 3.960 -0.011 0.000 0.203 942 G C 0.980 175.795 174.900 -0.141 0.000 0.993 942 G CA 0.796 45.826 45.100 -0.117 0.000 0.661 942 G HN 1.351 nan 8.290 nan 0.000 0.518 943 A N -0.540 122.186 122.820 -0.156 0.000 2.119 943 A HA 0.510 4.823 4.320 -0.011 0.000 0.217 943 A C 1.915 179.352 177.584 -0.244 0.000 1.153 943 A CA 1.632 53.567 52.037 -0.170 0.000 0.692 943 A CB -0.122 18.786 19.000 -0.153 0.000 0.799 943 A HN 0.912 nan 8.150 nan 0.000 0.458 944 L N -1.127 119.943 121.223 -0.255 0.000 2.959 944 L HA 0.185 4.518 4.340 -0.011 0.000 0.259 944 L C 0.553 177.227 176.870 -0.327 0.000 1.185 944 L CA -0.166 54.482 54.840 -0.321 0.000 0.998 944 L CB 0.406 42.359 42.059 -0.175 0.000 1.337 944 L HN 0.017 nan 8.230 nan 0.000 0.555 945 D N 1.440 121.685 120.400 -0.258 0.000 2.311 945 D HA -0.145 4.488 4.640 -0.011 0.000 0.212 945 D C 2.122 178.276 176.300 -0.244 0.000 0.972 945 D CA 1.134 55.021 54.000 -0.189 0.000 0.887 945 D CB 0.220 40.941 40.800 -0.132 0.000 0.915 945 D HN 0.334 nan 8.370 nan 0.000 0.497 946 A N -0.773 121.774 122.820 -0.455 0.000 2.248 946 A HA -0.046 4.267 4.320 -0.011 0.000 0.210 946 A C 1.232 178.553 177.584 -0.439 0.000 1.174 946 A CA 0.431 52.175 52.037 -0.489 0.000 0.750 946 A CB -0.714 17.916 19.000 -0.617 0.000 0.780 946 A HN 0.275 nan 8.150 nan 0.000 0.478 947 F N -1.545 118.375 119.950 -0.050 0.000 2.682 947 F HA 0.444 4.964 4.527 -0.011 0.000 0.308 947 F C 1.393 177.165 175.800 -0.047 0.000 1.093 947 F CA 0.246 58.217 58.000 -0.049 0.000 1.244 947 F CB 0.652 39.608 39.000 -0.073 0.000 1.052 947 F HN 0.417 nan 8.300 nan 0.000 0.573 948 G N 0.531 109.373 108.800 0.070 0.000 2.306 948 G HA2 -0.162 3.791 3.960 -0.011 0.000 0.262 948 G HA3 -0.162 3.791 3.960 -0.011 0.000 0.262 948 G C -1.709 173.196 174.900 0.009 0.000 1.263 948 G CA -1.049 44.072 45.100 0.035 0.000 1.088 948 G HN 0.021 nan 8.290 nan 0.000 0.489 949 D N 0.173 120.576 120.400 0.006 0.000 2.425 949 D HA 0.394 5.027 4.640 -0.011 0.000 0.247 949 D C 1.858 178.156 176.300 -0.003 0.000 1.147 949 D CA 0.027 54.027 54.000 -0.000 0.000 0.879 949 D CB 0.752 41.553 40.800 0.001 0.000 1.179 949 D HN 0.497 nan 8.370 nan 0.000 0.456 950 R N 2.924 123.421 120.500 -0.006 0.000 2.070 950 R HA -0.119 4.215 4.340 -0.011 0.000 0.233 950 R C 2.011 178.304 176.300 -0.011 0.000 1.137 950 R CA 1.345 57.437 56.100 -0.013 0.000 0.945 950 R CB -0.406 29.892 30.300 -0.004 0.000 0.845 950 R HN 0.556 nan 8.270 nan 0.000 0.430 951 A N 1.145 123.972 122.820 0.011 0.000 1.940 951 A HA -0.208 4.105 4.320 -0.011 0.000 0.219 951 A C 2.150 179.733 177.584 -0.002 0.000 1.176 951 A CA 1.429 53.475 52.037 0.016 0.000 0.631 951 A CB -0.451 18.570 19.000 0.035 0.000 0.814 951 A HN 0.218 nan 8.150 nan 0.000 0.446 952 R N -0.750 119.748 120.500 -0.004 0.000 2.092 952 R HA 0.028 4.362 4.340 -0.011 0.000 0.231 952 R C 1.994 178.283 176.300 -0.020 0.000 1.119 952 R CA 1.161 57.254 56.100 -0.011 0.000 0.970 952 R CB -0.316 29.980 30.300 -0.008 0.000 0.864 952 R HN 0.558 nan 8.270 nan 0.000 0.440 953 L N 0.319 121.530 121.223 -0.020 0.000 2.056 953 L HA -0.182 4.152 4.340 -0.011 0.000 0.207 953 L C 2.282 179.128 176.870 -0.041 0.000 1.078 953 L CA 1.068 55.892 54.840 -0.027 0.000 0.749 953 L CB -0.334 41.713 42.059 -0.020 0.000 0.901 953 L HN 0.232 nan 8.230 nan 0.000 0.433 954 L N -0.439 120.753 121.223 -0.052 0.000 2.046 954 L HA -0.200 4.133 4.340 -0.011 0.000 0.208 954 L C 2.846 179.689 176.870 -0.046 0.000 1.077 954 L CA 1.263 56.062 54.840 -0.069 0.000 0.747 954 L CB -0.633 41.364 42.059 -0.102 0.000 0.896 954 L HN 0.243 nan 8.230 nan 0.000 0.432 955 A N -1.030 121.771 122.820 -0.032 0.000 1.898 955 A HA -0.163 4.151 4.320 -0.011 0.000 0.216 955 A C 2.419 179.990 177.584 -0.021 0.000 1.181 955 A CA 1.820 53.844 52.037 -0.021 0.000 0.620 955 A CB -0.557 18.435 19.000 -0.014 0.000 0.819 955 A HN 0.361 nan 8.150 nan 0.000 0.442 956 S N -0.005 115.678 115.700 -0.028 0.000 2.469 956 S HA -0.030 4.434 4.470 -0.011 0.000 0.238 956 S C 1.659 176.245 174.600 -0.023 0.000 0.998 956 S CA 0.785 58.964 58.200 -0.035 0.000 0.957 956 S CB -0.444 62.726 63.200 -0.051 0.000 0.764 956 S HN 0.501 nan 8.310 nan 0.000 0.514 957 L N 1.191 122.404 121.223 -0.016 0.000 1.943 957 L HA -0.155 4.178 4.340 -0.011 0.000 0.215 957 L C 2.816 179.700 176.870 0.023 0.000 1.074 957 L CA 1.621 56.462 54.840 0.002 0.000 0.759 957 L CB -0.578 41.476 42.059 -0.008 0.000 0.888 957 L HN 0.333 nan 8.230 nan 0.000 0.433 958 E N -0.257 119.953 120.200 0.017 0.000 2.110 958 E HA -0.198 4.146 4.350 -0.011 0.000 0.193 958 E C -0.390 176.237 176.600 0.045 0.000 0.988 958 E CA 1.275 57.692 56.400 0.029 0.000 0.804 958 E CB -0.680 29.030 29.700 0.018 0.000 0.745 958 E HN 0.359 nan 8.360 nan 0.000 0.458 959 P HA -0.139 nan 4.420 nan 0.000 0.215 959 P C 1.420 178.781 177.300 0.101 0.000 1.153 959 P CA 1.107 64.238 63.100 0.051 0.000 0.853 959 P CB -0.066 31.643 31.700 0.014 0.000 0.788 960 L N -1.929 119.345 121.223 0.084 0.000 2.240 960 L HA -0.068 4.266 4.340 -0.011 0.000 0.211 960 L C 2.348 179.385 176.870 0.279 0.000 1.106 960 L CA 0.699 55.637 54.840 0.164 0.000 0.793 960 L CB -0.632 41.447 42.059 0.033 0.000 0.927 960 L HN -0.050 nan 8.230 nan 0.000 0.446 961 L N -0.771 120.549 121.223 0.161 0.000 2.056 961 L HA -0.169 4.164 4.340 -0.011 0.000 0.207 961 L C 2.806 179.743 176.870 0.111 0.000 1.078 961 L CA 1.224 56.139 54.840 0.126 0.000 0.749 961 L CB -0.381 41.723 42.059 0.075 0.000 0.901 961 L HN 0.156 nan 8.230 nan 0.000 0.433 962 R N -1.062 119.505 120.500 0.112 0.000 2.083 962 R HA -0.252 4.081 4.340 -0.011 0.000 0.237 962 R C 2.094 178.465 176.300 0.118 0.000 1.137 962 R CA 2.181 58.336 56.100 0.092 0.000 0.951 962 R CB -0.662 29.690 30.300 0.087 0.000 0.851 962 R HN 0.425 nan 8.270 nan 0.000 0.434 963 W N 1.385 122.683 121.300 -0.003 0.000 2.333 963 W HA -0.247 4.407 4.660 -0.010 0.000 0.316 963 W C 2.259 178.776 176.519 -0.002 0.000 1.215 963 W CA 2.059 59.403 57.345 -0.003 0.000 1.278 963 W CB -0.452 29.005 29.460 -0.006 0.000 1.154 963 W HN 0.105 nan 8.180 nan 0.000 0.486 964 A N 0.741 123.546 122.820 -0.025 0.000 1.902 964 A HA -0.057 4.257 4.320 -0.011 0.000 0.217 964 A C 2.109 179.538 177.584 -0.257 0.000 1.181 964 A CA 2.636 54.491 52.037 -0.303 0.000 0.623 964 A CB -1.590 17.429 19.000 0.031 0.000 0.818 964 A HN 0.514 nan 8.150 nan 0.000 0.443 965 A N -0.370 122.380 122.820 -0.117 0.000 1.972 965 A HA -0.146 4.167 4.320 -0.011 0.000 0.219 965 A C 1.883 179.391 177.584 -0.128 0.000 1.169 965 A CA 1.640 53.620 52.037 -0.095 0.000 0.635 965 A CB -0.439 18.538 19.000 -0.039 0.000 0.810 965 A HN 0.642 nan 8.150 nan 0.000 0.446 966 E N -0.940 119.165 120.200 -0.158 0.000 2.216 966 E HA -0.074 4.269 4.350 -0.011 0.000 0.192 966 E C 1.905 178.374 176.600 -0.219 0.000 0.988 966 E CA 1.220 57.529 56.400 -0.152 0.000 0.834 966 E CB -0.127 29.510 29.700 -0.106 0.000 0.772 966 E HN 0.604 nan 8.360 nan 0.000 0.479 967 T N 0.866 115.193 114.554 -0.377 0.000 2.737 967 T HA -0.127 4.217 4.350 -0.011 0.000 0.265 967 T C 1.759 176.326 174.700 -0.221 0.000 1.038 967 T CA 1.043 62.913 62.100 -0.384 0.000 1.144 967 T CB -0.120 68.365 68.868 -0.638 0.000 0.866 967 T HN 0.120 nan 8.240 nan 0.000 0.434 968 R N 1.015 121.399 120.500 -0.192 0.000 2.120 968 R HA -0.030 4.303 4.340 -0.011 0.000 0.234 968 R C 2.526 178.773 176.300 -0.088 0.000 1.123 968 R CA 1.147 57.174 56.100 -0.121 0.000 0.975 968 R CB -0.191 30.047 30.300 -0.102 0.000 0.866 968 R HN 0.541 nan 8.270 nan 0.000 0.446 969 E N 0.523 120.670 120.200 -0.089 0.000 2.058 969 E HA -0.188 4.155 4.350 -0.011 0.000 0.194 969 E C 2.090 178.659 176.600 -0.052 0.000 0.997 969 E CA 1.151 57.514 56.400 -0.062 0.000 0.801 969 E CB 0.010 29.676 29.700 -0.057 0.000 0.746 969 E HN 0.328 nan 8.360 nan 0.000 0.450 970 R N -0.060 120.404 120.500 -0.060 0.000 2.090 970 R HA -0.044 4.289 4.340 -0.011 0.000 0.228 970 R C 2.502 178.782 176.300 -0.033 0.000 1.110 970 R CA 1.006 57.083 56.100 -0.038 0.000 0.973 970 R CB -0.386 29.894 30.300 -0.033 0.000 0.869 970 R HN 0.169 nan 8.270 nan 0.000 0.440 971 G N 1.366 110.136 108.800 -0.050 0.000 2.418 971 G HA2 -0.237 3.717 3.960 -0.011 0.000 0.217 971 G HA3 -0.237 3.717 3.960 -0.011 0.000 0.217 971 G C 1.256 176.135 174.900 -0.034 0.000 1.158 971 G CA 0.202 45.277 45.100 -0.041 0.000 0.771 971 G HN 0.237 nan 8.290 nan 0.000 0.545 972 R N 0.182 120.659 120.500 -0.038 0.000 2.555 972 R HA 0.292 4.625 4.340 -0.011 0.000 0.272 972 R C 0.670 176.953 176.300 -0.028 0.000 1.089 972 R CA 0.173 56.254 56.100 -0.032 0.000 1.126 972 R CB 0.278 30.558 30.300 -0.033 0.000 1.250 972 R HN 0.221 nan 8.270 nan 0.000 0.551 973 S N -0.139 115.544 115.700 -0.028 0.000 2.901 973 S HA 0.322 4.785 4.470 -0.011 0.000 0.248 973 S C 0.514 175.098 174.600 -0.027 0.000 1.021 973 S CA 0.176 58.361 58.200 -0.026 0.000 1.090 973 S CB 0.211 63.397 63.200 -0.024 0.000 1.039 973 S HN 0.648 nan 8.310 nan 0.000 0.514 974 G N 2.031 110.813 108.800 -0.028 0.000 2.509 974 G HA2 -0.204 3.750 3.960 -0.011 0.000 0.256 974 G HA3 -0.204 3.750 3.960 -0.011 0.000 0.256 974 G C -0.348 174.536 174.900 -0.026 0.000 1.152 974 G CA -0.456 44.624 45.100 -0.034 0.000 0.951 974 G HN 1.440 nan 8.290 nan 0.000 0.559 975 L N -1.240 119.960 121.223 -0.038 0.000 2.975 975 L HA -0.202 4.131 4.340 -0.011 0.000 0.550 975 L C 1.896 178.797 176.870 0.051 0.000 1.001 975 L CA 0.487 55.328 54.840 0.001 0.000 1.291 975 L CB -1.310 40.777 42.059 0.048 0.000 1.434 975 L HN 0.963 nan 8.230 nan 0.000 0.696 976 V N 2.387 122.359 119.914 0.097 0.000 2.245 976 V HA -0.079 4.034 4.120 -0.011 0.000 0.233 976 V C 1.742 177.911 176.094 0.124 0.000 1.028 976 V CA 2.314 64.686 62.300 0.121 0.000 0.991 976 V CB -0.507 31.418 31.823 0.171 0.000 0.640 976 V HN 1.062 nan 8.190 nan 0.000 0.461 977 G N -2.272 106.630 108.800 0.171 0.000 2.293 977 G HA2 0.177 4.130 3.960 -0.011 0.000 0.180 977 G HA3 0.177 4.130 3.960 -0.011 0.000 0.180 977 G C 1.113 176.044 174.900 0.052 0.000 1.517 977 G CA 0.118 45.271 45.100 0.088 0.000 0.645 977 G HN 0.302 nan 8.290 nan 0.000 1.119 978 L N -0.035 121.197 121.223 0.015 0.000 2.249 978 L HA 0.299 4.633 4.340 -0.011 0.000 0.207 978 L C 2.193 178.932 176.870 -0.219 0.000 1.090 978 L CA 0.619 55.360 54.840 -0.166 0.000 0.802 978 L CB -0.207 41.637 42.059 -0.360 0.000 0.947 978 L HN 0.131 nan 8.230 nan 0.000 0.453 979 F N -0.081 119.874 119.950 0.007 0.000 2.558 979 F HA 0.058 4.578 4.527 -0.011 0.000 0.298 979 F C 2.184 177.982 175.800 -0.004 0.000 1.119 979 F CA 0.667 58.669 58.000 0.003 0.000 1.451 979 F CB -0.346 38.653 39.000 -0.001 0.000 1.091 979 F HN -0.031 nan 8.300 nan 0.000 0.563 980 A N -0.813 122.100 122.820 0.156 0.000 2.348 980 A HA 0.245 4.558 4.320 -0.011 0.000 0.224 980 A C 0.305 177.897 177.584 0.013 0.000 1.227 980 A CA 0.069 52.146 52.037 0.067 0.000 0.885 980 A CB -0.065 18.965 19.000 0.050 0.000 0.933 980 A HN 0.237 nan 8.150 nan 0.000 0.506 981 E N -0.298 119.920 120.200 0.031 0.000 2.317 981 E HA 0.263 4.606 4.350 -0.011 0.000 0.270 981 E C -1.732 174.920 176.600 0.087 0.000 0.899 981 E CA -0.288 56.142 56.400 0.050 0.000 0.814 981 E CB 2.295 32.034 29.700 0.066 0.000 1.296 981 E HN -0.007 nan 8.360 nan 0.000 0.404 982 V N 4.685 124.684 119.914 0.141 0.000 2.267 982 V HA 0.112 4.226 4.120 -0.011 0.000 0.254 982 V C 0.101 176.358 176.094 0.273 0.000 1.144 982 V CA -0.026 62.369 62.300 0.158 0.000 0.992 982 V CB 0.410 32.317 31.823 0.140 0.000 1.199 982 V HN 0.652 nan 8.190 nan 0.000 0.493 983 E N 4.364 124.681 120.200 0.195 0.000 2.568 983 E HA -0.034 4.309 4.350 -0.011 0.000 0.262 983 E C 0.388 177.018 176.600 0.051 0.000 0.961 983 E CA 0.192 56.725 56.400 0.222 0.000 0.945 983 E CB 0.447 30.214 29.700 0.111 0.000 0.924 983 E HN 0.918 nan 8.360 nan 0.000 0.467 984 E N 4.617 124.721 120.200 -0.160 0.000 3.417 984 E HA -0.121 4.222 4.350 -0.011 0.000 0.279 984 E C -1.988 174.302 176.600 -0.517 0.000 0.851 984 E CA -0.697 55.153 56.400 -0.917 0.000 0.980 984 E CB -0.350 28.727 29.700 -1.038 0.000 0.934 984 E HN 0.201 nan 8.360 nan 0.000 0.541 985 P HA 0.093 nan 4.420 nan 0.000 0.271 985 P C -2.067 175.086 177.300 -0.244 0.000 1.244 985 P CA -1.051 61.878 63.100 -0.285 0.000 0.793 985 P CB -0.328 31.224 31.700 -0.246 0.000 0.984 986 P HA 0.072 nan 4.420 nan 0.000 0.274 986 P C -0.253 176.974 177.300 -0.121 0.000 1.264 986 P CA -0.316 62.712 63.100 -0.120 0.000 0.795 986 P CB 0.277 31.930 31.700 -0.077 0.000 1.064 987 L N 0.918 122.087 121.223 -0.090 0.000 2.369 987 L HA 0.066 4.400 4.340 -0.011 0.000 0.279 987 L C -0.068 176.768 176.870 -0.056 0.000 1.108 987 L CA -0.225 54.569 54.840 -0.075 0.000 0.852 987 L CB 0.026 42.055 42.059 -0.050 0.000 1.169 987 L HN 0.041 nan 8.230 nan 0.000 0.452 988 V N 5.821 125.701 119.914 -0.057 0.000 2.539 988 V HA -0.081 4.033 4.120 -0.011 0.000 0.300 988 V C 0.839 176.916 176.094 -0.027 0.000 1.019 988 V CA 0.052 62.328 62.300 -0.040 0.000 1.160 988 V CB -0.415 31.387 31.823 -0.035 0.000 0.901 988 V HN 0.705 nan 8.190 nan 0.000 0.481 989 E N 3.179 123.366 120.200 -0.021 0.000 2.383 989 E HA 0.604 4.948 4.350 -0.011 0.000 0.264 989 E C 0.059 176.654 176.600 -0.008 0.000 1.050 989 E CA 0.059 56.450 56.400 -0.014 0.000 0.896 989 E CB 1.260 30.952 29.700 -0.013 0.000 0.982 989 E HN 0.880 nan 8.360 nan 0.000 0.424 990 A N 1.995 124.812 122.820 -0.004 0.000 2.597 990 A HA 0.342 4.656 4.320 -0.011 0.000 0.292 990 A C -0.760 176.826 177.584 0.004 0.000 1.057 990 A CA -0.677 51.360 52.037 0.001 0.000 0.674 990 A CB 1.701 20.704 19.000 0.004 0.000 1.278 990 A HN 0.427 nan 8.150 nan 0.000 0.416 991 S N 1.044 116.748 115.700 0.008 0.000 2.549 991 S HA 0.510 4.973 4.470 -0.011 0.000 0.279 991 S C -2.174 172.433 174.600 0.012 0.000 1.321 991 S CA -0.710 57.495 58.200 0.008 0.000 1.054 991 S CB -0.152 63.053 63.200 0.009 0.000 0.899 991 S HN 0.452 nan 8.310 nan 0.000 0.497 992 P HA 0.097 nan 4.420 nan 0.000 0.266 992 P C -0.685 176.625 177.300 0.016 0.000 1.195 992 P CA -0.051 63.055 63.100 0.011 0.000 0.768 992 P CB 0.258 31.960 31.700 0.004 0.000 0.838 993 L N 3.044 124.283 121.223 0.027 0.000 2.456 993 L HA 0.102 4.435 4.340 -0.011 0.000 0.272 993 L C 1.307 178.179 176.870 0.004 0.000 1.189 993 L CA -0.226 54.632 54.840 0.032 0.000 0.846 993 L CB -0.042 42.057 42.059 0.067 0.000 1.111 993 L HN 0.502 nan 8.230 nan 0.000 0.475 994 D N 1.884 122.277 120.400 -0.011 0.000 2.358 994 D HA 0.000 4.634 4.640 -0.011 0.000 0.244 994 D C 0.435 176.705 176.300 -0.050 0.000 1.163 994 D CA -0.481 53.502 54.000 -0.030 0.000 0.945 994 D CB 1.173 41.954 40.800 -0.031 0.000 1.152 994 D HN 0.550 nan 8.370 nan 0.000 0.451 995 E N -0.175 119.985 120.200 -0.066 0.000 2.051 995 E HA -0.137 4.207 4.350 -0.011 0.000 0.192 995 E C 2.115 178.645 176.600 -0.117 0.000 0.991 995 E CA 0.846 57.193 56.400 -0.089 0.000 0.799 995 E CB -0.051 29.587 29.700 -0.104 0.000 0.748 995 E HN 0.502 nan 8.360 nan 0.000 0.449 996 I N 0.480 120.970 120.570 -0.134 0.000 2.127 996 I HA -0.308 3.856 4.170 -0.011 0.000 0.241 996 I C 2.736 178.776 176.117 -0.128 0.000 1.075 996 I CA 1.345 62.564 61.300 -0.136 0.000 1.334 996 I CB -0.421 37.526 38.000 -0.087 0.000 1.040 996 I HN 0.148 nan 8.210 nan 0.000 0.405 997 T N 0.216 114.681 114.554 -0.149 0.000 2.867 997 T HA -0.164 4.179 4.350 -0.011 0.000 0.268 997 T C 1.848 176.339 174.700 -0.349 0.000 1.057 997 T CA 1.090 63.016 62.100 -0.290 0.000 1.136 997 T CB -0.087 68.632 68.868 -0.248 0.000 0.874 997 T HN 0.224 nan 8.240 nan 0.000 0.466 998 M N 0.106 119.628 119.600 -0.131 0.000 2.099 998 M HA 0.007 4.481 4.480 -0.011 0.000 0.262 998 M C 2.028 178.329 176.300 0.002 0.000 1.067 998 M CA 1.545 56.840 55.300 -0.010 0.000 1.124 998 M CB -0.320 32.283 32.600 0.006 0.000 1.353 998 M HN 0.291 nan 8.290 nan 0.000 0.410 999 L N -0.405 120.795 121.223 -0.039 0.000 2.083 999 L HA -0.208 4.125 4.340 -0.011 0.000 0.209 999 L C 2.689 179.650 176.870 0.152 0.000 1.083 999 L CA 1.161 56.009 54.840 0.013 0.000 0.752 999 L CB -0.652 41.310 42.059 -0.161 0.000 0.899 999 L HN 0.367 nan 8.230 nan 0.000 0.433 1000 R N -0.549 119.968 120.500 0.028 0.000 2.083 1000 R HA -0.210 4.124 4.340 -0.011 0.000 0.237 1000 R C 2.347 178.664 176.300 0.028 0.000 1.137 1000 R CA 1.804 57.915 56.100 0.019 0.000 0.951 1000 R CB -0.385 29.819 30.300 -0.160 0.000 0.851 1000 R HN 0.320 nan 8.270 nan 0.000 0.434 1001 Y N 0.454 120.769 120.300 0.025 0.000 2.181 1001 Y HA -0.198 4.345 4.550 -0.010 0.000 0.288 1001 Y C 2.464 178.339 175.900 -0.041 0.000 1.146 1001 Y CA 1.046 59.138 58.100 -0.013 0.000 1.164 1001 Y CB -0.003 38.445 38.460 -0.020 0.000 0.982 1001 Y HN 0.234 nan 8.280 nan 0.000 0.515 1002 E N 0.568 120.844 120.200 0.126 0.000 2.065 1002 E HA -0.296 4.047 4.350 -0.011 0.000 0.201 1002 E C 2.138 178.694 176.600 -0.074 0.000 1.016 1002 E CA 1.400 57.805 56.400 0.008 0.000 0.818 1002 E CB -0.226 29.484 29.700 0.017 0.000 0.749 1002 E HN 0.357 nan 8.360 nan 0.000 0.453 1003 K N 0.990 121.323 120.400 -0.112 0.000 2.032 1003 K HA -0.227 4.087 4.320 -0.011 0.000 0.209 1003 K C 2.169 178.676 176.600 -0.155 0.000 1.048 1003 K CA 1.426 57.538 56.287 -0.292 0.000 0.927 1003 K CB -0.100 32.059 32.500 -0.569 0.000 0.712 1003 K HN 0.087 nan 8.250 nan 0.000 0.441 1004 E N -0.365 119.802 120.200 -0.055 0.000 2.160 1004 E HA -0.191 4.153 4.350 -0.011 0.000 0.195 1004 E C 1.442 178.021 176.600 -0.034 0.000 0.991 1004 E CA 1.165 57.557 56.400 -0.014 0.000 0.810 1004 E CB -0.002 29.740 29.700 0.069 0.000 0.742 1004 E HN 0.408 nan 8.360 nan 0.000 0.466 1005 A N -0.104 122.685 122.820 -0.051 0.000 2.044 1005 A HA 0.158 4.472 4.320 -0.011 0.000 0.213 1005 A C 1.762 179.276 177.584 -0.117 0.000 1.169 1005 A CA 0.180 52.171 52.037 -0.078 0.000 0.724 1005 A CB 0.294 19.244 19.000 -0.084 0.000 0.840 1005 A HN 0.274 nan 8.150 nan 0.000 0.463 1006 L N -2.409 118.725 121.223 -0.148 0.000 2.966 1006 L HA 0.306 4.640 4.340 -0.011 0.000 0.262 1006 L C 1.654 178.449 176.870 -0.125 0.000 1.165 1006 L CA 0.540 55.265 54.840 -0.192 0.000 0.978 1006 L CB 0.689 42.536 42.059 -0.354 0.000 1.337 1006 L HN 0.513 nan 8.230 nan 0.000 0.563 1007 G N 1.805 110.532 108.800 -0.121 0.000 2.396 1007 G HA2 -0.330 3.623 3.960 -0.011 0.000 0.242 1007 G HA3 -0.330 3.623 3.960 -0.011 0.000 0.242 1007 G C 0.305 175.105 174.900 -0.166 0.000 1.069 1007 G CA 0.605 45.644 45.100 -0.103 0.000 0.633 1007 G HN 0.382 nan 8.290 nan 0.000 0.517 1008 I N -2.952 117.512 120.570 -0.177 0.000 3.002 1008 I HA 0.806 4.970 4.170 -0.011 0.000 0.310 1008 I C -0.106 175.839 176.117 -0.287 0.000 1.087 1008 I CA -2.207 58.969 61.300 -0.206 0.000 1.017 1008 I CB 1.275 39.277 38.000 0.003 0.000 1.226 1008 I HN 0.000 nan 8.210 nan 0.000 0.443 1009 Y N 2.242 122.489 120.300 -0.088 0.000 2.304 1009 Y HA 0.612 5.156 4.550 -0.011 0.000 0.328 1009 Y C -0.027 175.813 175.900 -0.101 0.000 1.123 1009 Y CA -0.710 57.290 58.100 -0.167 0.000 1.218 1009 Y CB 1.446 39.679 38.460 -0.379 0.000 1.207 1009 Y HN 0.252 nan 8.280 nan 0.000 0.495 1010 V N 2.576 122.521 119.914 0.052 0.000 2.540 1010 V HA 0.348 4.462 4.120 -0.011 0.000 0.302 1010 V C -0.194 175.917 176.094 0.029 0.000 1.035 1010 V CA -1.085 61.244 62.300 0.050 0.000 0.873 1010 V CB 1.554 33.371 31.823 -0.010 0.000 0.992 1010 V HN 0.888 nan 8.190 nan 0.000 0.428 1011 S N 4.119 119.845 115.700 0.044 0.000 3.590 1011 S HA 0.036 4.500 4.470 -0.011 0.000 0.527 1011 S C 0.557 175.149 174.600 -0.014 0.000 0.745 1011 S CA 1.075 59.287 58.200 0.020 0.000 1.392 1011 S CB -1.100 62.108 63.200 0.012 0.000 0.906 1011 S HN 2.846 nan 8.310 nan 0.000 0.760 1012 G N 3.509 112.306 108.800 -0.006 0.000 2.598 1012 G HA2 -0.138 3.816 3.960 -0.011 0.000 0.244 1012 G HA3 -0.138 3.816 3.960 -0.011 0.000 0.244 1012 G C -0.388 174.404 174.900 -0.179 0.000 1.302 1012 G CA 0.520 45.610 45.100 -0.017 0.000 0.903 1012 G HN 1.963 nan 8.290 nan 0.000 0.575 1013 H N 0.098 119.034 119.070 -0.223 0.000 3.212 1013 H HA 0.396 4.946 4.556 -0.011 0.000 0.306 1013 H C -1.371 173.749 175.328 -0.347 0.000 1.198 1013 H CA -0.236 55.581 56.048 -0.384 0.000 1.532 1013 H CB 2.019 31.574 29.762 -0.345 0.000 2.133 1013 H HN 0.448 nan 8.280 nan 0.000 0.395 1014 P HA -0.450 nan 4.420 nan 0.000 0.234 1014 P C 1.423 178.489 177.300 -0.389 0.000 0.687 1014 P CA 2.199 65.136 63.100 -0.272 0.000 1.135 1014 P CB -0.286 31.226 31.700 -0.314 0.000 0.623 1015 V N -1.372 118.387 119.914 -0.260 0.000 2.626 1015 V HA -0.126 3.988 4.120 -0.011 0.000 0.252 1015 V C 2.111 177.971 176.094 -0.390 0.000 1.067 1015 V CA 1.620 63.710 62.300 -0.351 0.000 1.081 1015 V CB -0.886 30.721 31.823 -0.361 0.000 0.686 1015 V HN 0.086 nan 8.190 nan 0.000 0.468 1016 L N -0.419 120.630 121.223 -0.291 0.000 2.610 1016 L HA 0.032 4.365 4.340 -0.011 0.000 0.232 1016 L C 2.452 179.165 176.870 -0.261 0.000 1.149 1016 L CA 0.600 55.305 54.840 -0.224 0.000 0.872 1016 L CB -0.378 41.596 42.059 -0.142 0.000 0.992 1016 L HN 0.269 nan 8.230 nan 0.000 0.447 1017 R N -0.017 120.218 120.500 -0.441 0.000 2.075 1017 R HA -0.026 4.307 4.340 -0.011 0.000 0.220 1017 R C -0.096 176.030 176.300 -0.290 0.000 1.118 1017 R CA 0.526 56.393 56.100 -0.389 0.000 0.986 1017 R CB 0.255 30.277 30.300 -0.464 0.000 0.884 1017 R HN 0.236 nan 8.270 nan 0.000 0.439 1018 Y N -0.383 119.881 120.300 -0.061 0.000 2.434 1018 Y HA 0.438 4.981 4.550 -0.011 0.000 0.341 1018 Y C -2.120 173.729 175.900 -0.084 0.000 0.965 1018 Y CA -3.356 54.705 58.100 -0.065 0.000 1.205 1018 Y CB 0.947 39.371 38.460 -0.061 0.000 1.121 1018 Y HN -0.012 nan 8.280 nan 0.000 0.507 1019 P HA 0.040 nan 4.420 nan 0.000 0.245 1019 P C 1.658 178.920 177.300 -0.063 0.000 1.212 1019 P CA 0.804 63.867 63.100 -0.062 0.000 0.774 1019 P CB 0.391 32.038 31.700 -0.088 0.000 0.999 1020 G N 0.698 109.491 108.800 -0.011 0.000 2.476 1020 G HA2 -0.257 3.696 3.960 -0.011 0.000 0.218 1020 G HA3 -0.257 3.696 3.960 -0.011 0.000 0.218 1020 G C 1.394 176.243 174.900 -0.086 0.000 1.164 1020 G CA 0.650 45.720 45.100 -0.050 0.000 0.768 1020 G HN 0.259 nan 8.290 nan 0.000 0.560 1021 L N -0.504 120.692 121.223 -0.045 0.000 2.072 1021 L HA 0.023 4.356 4.340 -0.011 0.000 0.205 1021 L C 3.179 179.985 176.870 -0.106 0.000 1.079 1021 L CA 0.528 55.323 54.840 -0.074 0.000 0.752 1021 L CB -0.338 41.712 42.059 -0.014 0.000 0.906 1021 L HN 0.075 nan 8.230 nan 0.000 0.436 1022 R N 0.396 120.832 120.500 -0.106 0.000 2.119 1022 R HA -0.192 4.141 4.340 -0.011 0.000 0.246 1022 R C 2.020 178.221 176.300 -0.166 0.000 1.146 1022 R CA 1.478 57.496 56.100 -0.137 0.000 0.962 1022 R CB -0.529 29.684 30.300 -0.145 0.000 0.863 1022 R HN 0.492 nan 8.270 nan 0.000 0.442 1023 E N 0.037 120.122 120.200 -0.192 0.000 2.152 1023 E HA -0.068 4.275 4.350 -0.011 0.000 0.192 1023 E C 2.162 178.643 176.600 -0.198 0.000 0.983 1023 E CA 0.708 56.970 56.400 -0.231 0.000 0.818 1023 E CB -0.065 29.475 29.700 -0.266 0.000 0.758 1023 E HN 0.146 nan 8.360 nan 0.000 0.467 1024 V N 1.775 121.575 119.914 -0.190 0.000 2.446 1024 V HA 0.003 4.117 4.120 -0.011 0.000 0.244 1024 V C 1.244 177.234 176.094 -0.173 0.000 1.039 1024 V CA 0.688 62.865 62.300 -0.205 0.000 1.045 1024 V CB -0.594 31.082 31.823 -0.246 0.000 0.681 1024 V HN 0.146 nan 8.190 nan 0.000 0.459 1025 A N 1.283 124.013 122.820 -0.149 0.000 2.573 1025 A HA 0.103 4.417 4.320 -0.011 0.000 0.250 1025 A C 1.717 179.218 177.584 -0.138 0.000 1.049 1025 A CA 0.812 52.775 52.037 -0.123 0.000 0.767 1025 A CB 0.035 18.967 19.000 -0.113 0.000 0.965 1025 A HN 0.631 nan 8.150 nan 0.000 0.514 1026 S N 2.357 117.979 115.700 -0.129 0.000 2.325 1026 S HA -0.059 4.405 4.470 -0.011 0.000 0.213 1026 S C 1.098 175.531 174.600 -0.278 0.000 1.031 1026 S CA 0.990 59.081 58.200 -0.181 0.000 0.984 1026 S CB -0.605 62.525 63.200 -0.117 0.000 0.939 1026 S HN 0.893 nan 8.310 nan 0.000 0.438 1027 C N 0.466 119.621 119.300 -0.243 0.000 2.423 1027 C HA 0.797 5.251 4.460 -0.011 0.000 0.378 1027 C C 0.499 175.404 174.990 -0.142 0.000 1.244 1027 C CA -0.344 58.515 59.018 -0.264 0.000 1.978 1027 C CB 1.717 29.345 27.740 -0.187 0.000 2.252 1027 C HN 0.666 nan 8.230 nan 0.000 0.526 1028 T N 1.229 115.717 114.554 -0.110 0.000 2.940 1028 T HA 0.369 4.713 4.350 -0.011 0.000 0.288 1028 T C 1.306 175.987 174.700 -0.033 0.000 1.033 1028 T CA -0.583 61.477 62.100 -0.067 0.000 1.033 1028 T CB 0.678 69.508 68.868 -0.063 0.000 1.079 1028 T HN 0.481 nan 8.240 nan 0.000 0.496 1029 I N 1.889 122.445 120.570 -0.023 0.000 2.151 1029 I HA -0.122 4.041 4.170 -0.011 0.000 0.243 1029 I C 2.422 178.541 176.117 0.002 0.000 1.080 1029 I CA 1.684 62.979 61.300 -0.008 0.000 1.339 1029 I CB -1.144 36.851 38.000 -0.009 0.000 1.039 1029 I HN 0.760 nan 8.210 nan 0.000 0.409 1030 E N 1.680 121.880 120.200 0.000 0.000 2.058 1030 E HA -0.249 4.094 4.350 -0.011 0.000 0.194 1030 E C 1.967 178.581 176.600 0.024 0.000 0.997 1030 E CA 1.817 58.223 56.400 0.009 0.000 0.801 1030 E CB -0.248 29.455 29.700 0.006 0.000 0.746 1030 E HN 0.516 nan 8.360 nan 0.000 0.450 1031 E N 0.232 120.445 120.200 0.022 0.000 2.418 1031 E HA -0.077 4.266 4.350 -0.011 0.000 0.197 1031 E C 2.017 178.687 176.600 0.116 0.000 1.026 1031 E CA 0.144 56.575 56.400 0.053 0.000 0.862 1031 E CB -0.086 29.617 29.700 0.006 0.000 0.799 1031 E HN 0.308 nan 8.360 nan 0.000 0.518 1032 L N 1.047 122.326 121.223 0.094 0.000 1.963 1032 L HA -0.319 4.015 4.340 -0.011 0.000 0.220 1032 L C 2.647 179.593 176.870 0.127 0.000 1.076 1032 L CA 2.137 57.057 54.840 0.133 0.000 0.772 1032 L CB -0.690 41.413 42.059 0.072 0.000 0.892 1032 L HN 0.313 nan 8.230 nan 0.000 0.435 1033 S N -1.043 114.698 115.700 0.068 0.000 2.359 1033 S HA -0.318 4.145 4.470 -0.011 0.000 0.223 1033 S C 1.795 176.419 174.600 0.041 0.000 1.039 1033 S CA 1.727 59.947 58.200 0.034 0.000 1.042 1033 S CB -0.695 62.513 63.200 0.013 0.000 0.915 1033 S HN 0.523 nan 8.310 nan 0.000 0.439 1034 E N 0.113 120.362 120.200 0.081 0.000 2.085 1034 E HA -0.187 4.156 4.350 -0.011 0.000 0.194 1034 E C 1.864 178.579 176.600 0.193 0.000 0.994 1034 E CA 1.375 57.847 56.400 0.120 0.000 0.801 1034 E CB -0.241 29.551 29.700 0.153 0.000 0.743 1034 E HN 0.652 nan 8.360 nan 0.000 0.453 1035 F N 0.512 120.496 119.950 0.057 0.000 2.187 1035 F HA -0.079 4.441 4.527 -0.011 0.000 0.295 1035 F C 1.985 177.809 175.800 0.041 0.000 1.091 1035 F CA 0.877 58.915 58.000 0.063 0.000 1.308 1035 F CB -0.329 38.691 39.000 0.034 0.000 1.030 1035 F HN -0.151 nan 8.300 nan 0.000 0.487 1036 V N 0.964 120.788 119.914 -0.149 0.000 2.323 1036 V HA -0.219 3.895 4.120 -0.011 0.000 0.244 1036 V C 2.462 178.431 176.094 -0.209 0.000 1.041 1036 V CA 1.900 64.040 62.300 -0.266 0.000 1.025 1036 V CB -0.664 31.108 31.823 -0.085 0.000 0.656 1036 V HN 0.221 nan 8.190 nan 0.000 0.451 1037 R N 0.335 120.753 120.500 -0.136 0.000 2.191 1037 R HA -0.237 4.097 4.340 -0.011 0.000 0.248 1037 R C 1.490 177.697 176.300 -0.154 0.000 1.127 1037 R CA 1.962 57.977 56.100 -0.142 0.000 0.943 1037 R CB -0.317 29.881 30.300 -0.170 0.000 0.891 1037 R HN 0.499 nan 8.270 nan 0.000 0.439 1038 E N 0.898 121.000 120.200 -0.164 0.000 1.941 1038 E HA 0.153 4.496 4.350 -0.011 0.000 0.275 1038 E C -0.857 175.667 176.600 -0.127 0.000 1.113 1038 E CA -0.098 56.238 56.400 -0.105 0.000 0.878 1038 E CB 0.319 30.012 29.700 -0.011 0.000 1.070 1038 E HN -0.016 nan 8.360 nan 0.000 0.399 1039 L N 4.261 125.413 121.223 -0.118 0.000 2.656 1039 L HA 0.400 4.734 4.340 -0.011 0.000 0.266 1039 L C -2.317 174.510 176.870 -0.071 0.000 0.859 1039 L CA -0.685 54.076 54.840 -0.131 0.000 1.131 1039 L CB 0.645 42.558 42.059 -0.243 0.000 1.627 1039 L HN 0.462 nan 8.230 nan 0.000 0.351 1040 P HA 0.432 nan 4.420 nan 0.000 0.310 1040 P C -0.847 176.428 177.300 -0.041 0.000 1.309 1040 P CA -0.377 62.702 63.100 -0.036 0.000 0.769 1040 P CB 0.305 31.993 31.700 -0.021 0.000 1.327 1041 G N 0.060 108.844 108.800 -0.026 0.000 2.360 1041 G HA2 0.243 4.197 3.960 -0.011 0.000 0.279 1041 G HA3 0.243 4.197 3.960 -0.011 0.000 0.279 1041 G C -0.396 174.491 174.900 -0.022 0.000 1.189 1041 G CA -0.432 44.653 45.100 -0.025 0.000 0.941 1041 G HN 0.516 nan 8.290 nan 0.000 0.445 1042 K N 1.676 122.059 120.400 -0.027 0.000 4.868 1042 K HA -0.155 4.159 4.320 -0.011 0.000 0.314 1042 K C -2.475 174.115 176.600 -0.016 0.000 0.932 1042 K CA 0.127 56.402 56.287 -0.021 0.000 0.998 1042 K CB -0.895 31.597 32.500 -0.013 0.000 1.704 1042 K HN 0.456 nan 8.250 nan 0.000 0.426 1043 P HA 0.242 nan 4.420 nan 0.000 0.279 1043 P C -0.600 176.704 177.300 0.006 0.000 1.276 1043 P CA -0.545 62.544 63.100 -0.018 0.000 0.801 1043 P CB 0.813 32.482 31.700 -0.052 0.000 1.127 1044 K N -0.297 120.117 120.400 0.023 0.000 2.156 1044 K HA 0.738 5.051 4.320 -0.011 0.000 0.250 1044 K C -0.981 175.661 176.600 0.070 0.000 0.955 1044 K CA -0.881 55.434 56.287 0.048 0.000 0.855 1044 K CB 1.582 34.116 32.500 0.056 0.000 1.101 1044 K HN 0.109 nan 8.250 nan 0.000 0.434 1045 V N 2.186 122.153 119.914 0.089 0.000 3.147 1045 V HA 0.363 4.477 4.120 -0.011 0.000 0.299 1045 V C -1.888 174.270 176.094 0.107 0.000 1.302 1045 V CA -1.022 61.347 62.300 0.115 0.000 1.015 1045 V CB 2.161 34.070 31.823 0.144 0.000 1.086 1045 V HN 0.642 nan 8.190 nan 0.000 0.437 1046 L N 2.889 124.168 121.223 0.093 0.000 2.305 1046 L HA 0.882 5.215 4.340 -0.011 0.000 0.284 1046 L C -1.180 175.718 176.870 0.047 0.000 1.013 1046 L CA -0.386 54.506 54.840 0.086 0.000 0.819 1046 L CB 1.317 43.418 42.059 0.069 0.000 1.227 1046 L HN 0.391 nan 8.230 nan 0.000 0.417 1047 L N 3.292 124.552 121.223 0.062 0.000 2.362 1047 L HA 0.763 5.096 4.340 -0.011 0.000 0.271 1047 L C 0.018 176.915 176.870 0.045 0.000 1.002 1047 L CA -0.456 54.404 54.840 0.034 0.000 0.818 1047 L CB 2.373 44.452 42.059 0.035 0.000 1.298 1047 L HN 0.873 nan 8.230 nan 0.000 0.420 1048 S N 0.500 116.206 115.700 0.011 0.000 2.532 1048 S HA 0.967 5.431 4.470 -0.011 0.000 0.299 1048 S C -0.407 174.193 174.600 -0.000 0.000 1.105 1048 S CA -0.198 58.011 58.200 0.015 0.000 1.018 1048 S CB 2.160 65.349 63.200 -0.018 0.000 1.021 1048 S HN 0.923 nan 8.310 nan 0.000 0.483 1049 G N 1.508 110.325 108.800 0.029 0.000 2.694 1049 G HA2 0.573 4.527 3.960 -0.011 0.000 0.246 1049 G HA3 0.573 4.527 3.960 -0.011 0.000 0.246 1049 G C -1.736 173.201 174.900 0.062 0.000 1.205 1049 G CA -0.712 44.398 45.100 0.018 0.000 0.891 1049 G HN 0.748 nan 8.290 nan 0.000 0.515 1050 M N 0.443 120.101 119.600 0.097 0.000 2.598 1050 M HA 0.732 5.205 4.480 -0.011 0.000 0.317 1050 M C -0.609 175.790 176.300 0.165 0.000 1.179 1050 M CA -0.817 54.568 55.300 0.142 0.000 0.936 1050 M CB 2.179 34.899 32.600 0.201 0.000 1.713 1050 M HN 0.294 nan 8.290 nan 0.000 0.460 1051 V N 3.081 123.091 119.914 0.160 0.000 2.481 1051 V HA 0.434 4.548 4.120 -0.011 0.000 0.286 1051 V C -0.167 176.014 176.094 0.146 0.000 1.042 1051 V CA -0.333 62.085 62.300 0.196 0.000 0.928 1051 V CB 1.471 33.365 31.823 0.119 0.000 0.986 1051 V HN 0.909 nan 8.190 nan 0.000 0.462 1052 E N 2.146 122.440 120.200 0.156 0.000 3.254 1052 E HA 0.308 4.652 4.350 -0.011 0.000 0.184 1052 E C -0.764 175.887 176.600 0.084 0.000 0.967 1052 E CA -0.093 56.365 56.400 0.096 0.000 1.311 1052 E CB 1.117 30.860 29.700 0.072 0.000 1.071 1052 E HN 0.692 nan 8.360 nan 0.000 0.456 1053 E N 0.156 120.424 120.200 0.113 0.000 2.331 1053 E HA 0.287 4.630 4.350 -0.011 0.000 0.275 1053 E C -0.587 176.058 176.600 0.075 0.000 0.895 1053 E CA -0.643 55.813 56.400 0.093 0.000 0.753 1053 E CB 1.800 31.571 29.700 0.118 0.000 1.216 1053 E HN -0.110 nan 8.360 nan 0.000 0.434 1068 F N -0.522 119.419 119.950 -0.015 0.000 2.389 1068 F HA 0.556 5.076 4.527 -0.011 0.000 0.337 1068 F C 0.189 175.985 175.800 -0.007 0.000 1.112 1068 F CA -0.185 57.808 58.000 -0.011 0.000 1.192 1068 F CB 0.976 39.969 39.000 -0.012 0.000 1.185 1068 F HN -0.249 nan 8.300 nan 0.000 0.552 1069 T N 5.245 119.785 114.554 -0.023 0.000 2.767 1069 T HA 0.466 4.809 4.350 -0.011 0.000 0.284 1069 T C -0.900 173.793 174.700 -0.012 0.000 0.973 1069 T CA -0.400 61.633 62.100 -0.111 0.000 0.996 1069 T CB 1.030 69.875 68.868 -0.039 0.000 0.927 1069 T HN 0.628 nan 8.240 nan 0.000 0.456 1070 L N 4.316 125.480 121.223 -0.098 0.000 2.307 1070 L HA 0.687 5.020 4.340 -0.011 0.000 0.284 1070 L C -0.182 176.701 176.870 0.021 0.000 1.023 1070 L CA -0.071 54.787 54.840 0.030 0.000 0.810 1070 L CB 1.497 43.572 42.059 0.027 0.000 1.231 1070 L HN 0.692 nan 8.230 nan 0.000 0.423 1071 S N 1.707 117.442 115.700 0.060 0.000 2.594 1071 S HA 0.694 5.158 4.470 -0.011 0.000 0.296 1071 S C -0.841 173.783 174.600 0.039 0.000 1.124 1071 S CA -0.991 57.241 58.200 0.054 0.000 1.011 1071 S CB 1.616 64.867 63.200 0.085 0.000 1.016 1071 S HN 0.547 nan 8.310 nan 0.000 0.485 1072 D N 1.019 121.427 120.400 0.013 0.000 2.529 1072 D HA 0.236 4.869 4.640 -0.011 0.000 0.273 1072 D C 1.215 177.519 176.300 0.006 0.000 1.197 1072 D CA -0.589 53.392 54.000 -0.031 0.000 1.070 1072 D CB 0.498 41.276 40.800 -0.036 0.000 1.134 1072 D HN 0.745 nan 8.370 nan 0.000 0.590 1073 E N -0.722 119.460 120.200 -0.030 0.000 2.512 1073 E HA -0.051 4.292 4.350 -0.011 0.000 0.195 1073 E C 0.049 176.671 176.600 0.038 0.000 1.083 1073 E CA 0.630 57.059 56.400 0.047 0.000 0.873 1073 E CB -0.360 29.359 29.700 0.033 0.000 0.897 1073 E HN 0.373 nan 8.360 nan 0.000 0.514 1074 T N -2.065 112.500 114.554 0.017 0.000 3.016 1074 T HA 0.497 4.841 4.350 -0.011 0.000 0.271 1074 T C 0.623 175.332 174.700 0.015 0.000 0.968 1074 T CA -0.031 62.077 62.100 0.012 0.000 0.891 1074 T CB 1.237 70.101 68.868 -0.005 0.000 1.149 1074 T HN 0.407 nan 8.240 nan 0.000 0.524 1075 G N 0.565 109.377 108.800 0.021 0.000 2.356 1075 G HA2 0.560 4.514 3.960 -0.011 0.000 0.288 1075 G HA3 0.560 4.514 3.960 -0.011 0.000 0.288 1075 G C -1.914 172.994 174.900 0.014 0.000 1.302 1075 G CA -0.290 44.820 45.100 0.017 0.000 0.887 1075 G HN 0.569 nan 8.290 nan 0.000 0.521 1076 A N -1.137 121.683 122.820 0.001 0.000 2.485 1076 A HA 0.998 5.312 4.320 -0.011 0.000 0.292 1076 A C -1.085 176.478 177.584 -0.036 0.000 1.147 1076 A CA -0.705 51.325 52.037 -0.011 0.000 0.750 1076 A CB 1.684 20.679 19.000 -0.009 0.000 1.331 1076 A HN 1.395 nan 8.150 nan 0.000 0.419 1077 L N 0.335 121.519 121.223 -0.064 0.000 2.466 1077 L HA 0.374 4.708 4.340 -0.011 0.000 0.258 1077 L C -0.790 175.989 176.870 -0.152 0.000 0.973 1077 L CA -0.814 53.969 54.840 -0.095 0.000 0.826 1077 L CB 2.246 44.246 42.059 -0.097 0.000 1.372 1077 L HN 0.694 nan 8.230 nan 0.000 0.409 1078 E N 2.112 122.229 120.200 -0.140 0.000 2.316 1078 E HA 0.359 4.703 4.350 -0.011 0.000 0.275 1078 E C -0.937 175.520 176.600 -0.239 0.000 1.029 1078 E CA 0.040 56.335 56.400 -0.175 0.000 0.871 1078 E CB 2.295 31.928 29.700 -0.111 0.000 1.022 1078 E HN 0.279 nan 8.360 nan 0.000 0.418 1079 V N 3.859 123.540 119.914 -0.388 0.000 2.752 1079 V HA 0.380 4.493 4.120 -0.011 0.000 0.302 1079 V C -0.939 174.935 176.094 -0.368 0.000 1.133 1079 V CA -0.531 61.511 62.300 -0.428 0.000 0.919 1079 V CB 1.809 33.287 31.823 -0.575 0.000 1.026 1079 V HN 0.398 nan 8.190 nan 0.000 0.429 1095 E N 2.117 122.329 120.200 0.021 0.000 2.392 1095 E HA -0.051 4.292 4.350 -0.011 0.000 0.259 1095 E C -0.749 175.876 176.600 0.042 0.000 1.108 1095 E CA 0.728 57.150 56.400 0.038 0.000 0.916 1095 E CB 0.377 30.096 29.700 0.031 0.000 0.989 1095 E HN 0.456 nan 8.360 nan 0.000 0.432 1096 D N 1.406 121.844 120.400 0.063 0.000 2.708 1096 D HA -0.215 4.418 4.640 -0.011 0.000 0.236 1096 D C -0.801 175.554 176.300 0.092 0.000 1.146 1096 D CA 0.808 54.862 54.000 0.090 0.000 0.662 1096 D CB -0.852 39.983 40.800 0.059 0.000 1.059 1096 D HN 0.321 nan 8.370 nan 0.000 0.428 1097 I N 0.867 121.484 120.570 0.078 0.000 2.447 1097 I HA 0.281 4.444 4.170 -0.011 0.000 0.287 1097 I C -2.117 174.039 176.117 0.065 0.000 1.023 1097 I CA -1.783 59.551 61.300 0.057 0.000 1.083 1097 I CB 2.411 40.421 38.000 0.016 0.000 1.245 1097 I HN -0.240 nan 8.210 nan 0.000 0.434 1098 P HA 0.370 nan 4.420 nan 0.000 0.275 1098 P C -1.143 176.182 177.300 0.041 0.000 1.228 1098 P CA -0.155 62.987 63.100 0.069 0.000 0.786 1098 P CB 1.402 33.150 31.700 0.080 0.000 0.927 1099 L N 1.853 123.107 121.223 0.052 0.000 2.434 1099 L HA 0.431 4.764 4.340 -0.011 0.000 0.260 1099 L C -0.389 176.531 176.870 0.083 0.000 0.983 1099 L CA -1.264 53.608 54.840 0.053 0.000 0.820 1099 L CB 2.416 44.487 42.059 0.020 0.000 1.361 1099 L HN 0.237 nan 8.230 nan 0.000 0.410 1100 L N 2.715 124.010 121.223 0.120 0.000 2.325 1100 L HA 0.711 5.044 4.340 -0.011 0.000 0.279 1100 L C -0.864 176.157 176.870 0.252 0.000 1.054 1100 L CA -0.138 54.798 54.840 0.161 0.000 0.804 1100 L CB 1.772 43.910 42.059 0.132 0.000 1.200 1100 L HN 0.281 nan 8.230 nan 0.000 0.436 1101 V N 6.007 126.056 119.914 0.225 0.000 2.577 1101 V HA 0.395 4.509 4.120 -0.011 0.000 0.303 1101 V C -0.346 175.880 176.094 0.220 0.000 1.042 1101 V CA -0.647 61.774 62.300 0.201 0.000 0.872 1101 V CB 1.747 33.691 31.823 0.203 0.000 0.998 1101 V HN 0.608 nan 8.190 nan 0.000 0.423 1102 L N 4.417 125.773 121.223 0.222 0.000 2.264 1102 L HA 0.858 5.192 4.340 -0.011 0.000 0.289 1102 L C 0.192 177.127 176.870 0.107 0.000 1.044 1102 L CA -0.056 54.906 54.840 0.203 0.000 0.807 1102 L CB 1.392 43.629 42.059 0.296 0.000 1.192 1102 L HN 0.874 nan 8.230 nan 0.000 0.425 1103 A N 4.052 126.928 122.820 0.094 0.000 2.572 1103 A HA 0.525 4.839 4.320 -0.011 0.000 0.295 1103 A C -1.127 176.487 177.584 0.050 0.000 1.072 1103 A CA -0.665 51.409 52.037 0.063 0.000 0.691 1103 A CB 1.826 20.859 19.000 0.055 0.000 1.291 1103 A HN 0.612 nan 8.150 nan 0.000 0.404 1104 E N 0.400 120.620 120.200 0.033 0.000 2.266 1104 E HA 0.536 4.879 4.350 -0.011 0.000 0.277 1104 E C -1.100 175.507 176.600 0.012 0.000 1.018 1104 E CA -0.276 56.137 56.400 0.023 0.000 0.840 1104 E CB 1.644 31.353 29.700 0.016 0.000 1.082 1104 E HN 0.416 nan 8.360 nan 0.000 0.395 1105 V N 3.223 123.141 119.914 0.008 0.000 2.680 1105 V HA 0.372 4.485 4.120 -0.011 0.000 0.309 1105 V C -0.101 175.987 176.094 -0.011 0.000 1.052 1105 V CA -0.681 61.619 62.300 -0.001 0.000 0.908 1105 V CB 1.915 33.742 31.823 0.006 0.000 1.001 1105 V HN 0.686 nan 8.190 nan 0.000 0.431 1113 V N 2.749 122.638 119.914 -0.041 0.000 2.531 1113 V HA 0.482 4.596 4.120 -0.011 0.000 0.301 1113 V C -0.659 175.411 176.094 -0.039 0.000 1.034 1113 V CA -0.732 61.547 62.300 -0.036 0.000 0.865 1113 V CB 1.786 33.582 31.823 -0.045 0.000 0.995 1113 V HN 0.554 nan 8.190 nan 0.000 0.424 1114 L N 4.504 125.718 121.223 -0.014 0.000 2.316 1114 L HA 0.735 5.068 4.340 -0.011 0.000 0.280 1114 L C 0.575 177.456 176.870 0.019 0.000 1.006 1114 L CA -0.587 54.251 54.840 -0.003 0.000 0.836 1114 L CB 1.688 43.747 42.059 -0.001 0.000 1.221 1114 L HN 0.726 nan 8.230 nan 0.000 0.418 1115 A N 2.886 125.731 122.820 0.042 0.000 2.462 1115 A HA 0.280 4.593 4.320 -0.011 0.000 0.243 1115 A C 0.599 178.201 177.584 0.032 0.000 1.076 1115 A CA 0.216 52.296 52.037 0.070 0.000 0.773 1115 A CB 0.636 19.739 19.000 0.172 0.000 1.010 1115 A HN 0.919 nan 8.150 nan 0.000 0.493 1116 Q N 0.078 119.884 119.800 0.010 0.000 2.342 1116 Q HA 0.409 4.743 4.340 -0.011 0.000 0.261 1116 Q C 0.133 176.082 176.000 -0.084 0.000 0.841 1116 Q CA 0.718 56.510 55.803 -0.017 0.000 0.969 1116 Q CB 0.861 29.606 28.738 0.011 0.000 1.136 1116 Q HN 0.935 nan 8.270 nan 0.000 0.528 1117 A N 0.318 123.048 122.820 -0.150 0.000 2.594 1117 A HA 0.729 5.043 4.320 -0.011 0.000 0.295 1117 A C -1.466 175.762 177.584 -0.594 0.000 1.071 1117 A CA -0.438 51.348 52.037 -0.419 0.000 0.685 1117 A CB 2.018 20.731 19.000 -0.478 0.000 1.285 1117 A HN -0.028 nan 8.150 nan 0.000 0.405 1118 V N 1.274 120.645 119.914 -0.906 0.000 2.932 1118 V HA 0.672 4.785 4.120 -0.011 0.000 0.307 1118 V C -1.446 174.158 176.094 -0.818 0.000 1.147 1118 V CA -0.463 61.454 62.300 -0.638 0.000 0.951 1118 V CB 2.095 33.714 31.823 -0.339 0.000 1.031 1118 V HN 0.866 nan 8.190 nan 0.000 0.426 1119 W N 1.748 123.020 121.300 -0.047 0.000 3.022 1119 W HA 0.521 5.174 4.660 -0.011 0.000 0.335 1119 W C 0.158 176.635 176.519 -0.071 0.000 1.133 1119 W CA -0.643 56.669 57.345 -0.054 0.000 1.219 1119 W CB 2.222 31.637 29.460 -0.074 0.000 1.409 1119 W HN 0.657 nan 8.180 nan 0.000 0.507 1120 T N -0.841 113.801 114.554 0.147 0.000 2.816 1120 T HA 0.165 4.508 4.350 -0.011 0.000 0.282 1120 T C 0.909 175.625 174.700 0.028 0.000 0.993 1120 T CA -0.589 61.542 62.100 0.052 0.000 0.994 1120 T CB 1.353 70.231 68.868 0.017 0.000 1.025 1120 T HN 0.326 nan 8.240 nan 0.000 0.529 1121 L N 0.787 121.998 121.223 -0.020 0.000 2.013 1121 L HA -0.082 4.251 4.340 -0.011 0.000 0.212 1121 L C 2.481 179.289 176.870 -0.103 0.000 1.073 1121 L CA 1.906 56.698 54.840 -0.080 0.000 0.753 1121 L CB -1.015 40.970 42.059 -0.123 0.000 0.890 1121 L HN 0.855 nan 8.230 nan 0.000 0.432 1122 E N -0.758 119.397 120.200 -0.074 0.000 2.204 1122 E HA -0.193 4.151 4.350 -0.011 0.000 0.194 1122 E C 2.039 178.628 176.600 -0.017 0.000 0.989 1122 E CA 1.144 57.507 56.400 -0.062 0.000 0.824 1122 E CB -0.121 29.552 29.700 -0.045 0.000 0.756 1122 E HN 0.643 nan 8.360 nan 0.000 0.477 1123 E N 0.470 120.683 120.200 0.022 0.000 2.047 1123 E HA -0.137 4.206 4.350 -0.011 0.000 0.191 1123 E C 2.172 178.791 176.600 0.032 0.000 0.987 1123 E CA 0.974 57.425 56.400 0.085 0.000 0.799 1123 E CB 0.118 29.929 29.700 0.184 0.000 0.752 1123 E HN 0.065 nan 8.360 nan 0.000 0.449 1124 V N 2.218 122.082 119.914 -0.084 0.000 2.490 1124 V HA -0.181 3.933 4.120 -0.011 0.000 0.250 1124 V C 0.857 176.857 176.094 -0.156 0.000 1.061 1124 V CA 0.573 62.718 62.300 -0.259 0.000 1.064 1124 V CB -0.975 30.689 31.823 -0.264 0.000 0.670 1124 V HN 0.324 nan 8.190 nan 0.000 0.461 1125 L N 2.336 123.504 121.223 -0.092 0.000 2.927 1125 L HA 0.000 4.334 4.340 -0.011 0.000 0.292 1125 L C 0.170 177.064 176.870 0.039 0.000 1.088 1125 L CA 0.768 55.585 54.840 -0.039 0.000 0.969 1125 L CB -1.588 40.440 42.059 -0.053 0.000 1.399 1125 L HN 0.688 nan 8.230 nan 0.000 0.458 1126 E N 2.830 123.069 120.200 0.064 0.000 2.296 1126 E HA 0.937 5.280 4.350 -0.011 0.000 0.224 1126 E C -1.420 175.242 176.600 0.103 0.000 0.949 1126 E CA -0.883 55.631 56.400 0.191 0.000 0.879 1126 E CB 1.420 31.274 29.700 0.257 0.000 1.922 1126 E HN 0.757 nan 8.360 nan 0.000 0.437 1127 A N 1.203 124.087 122.820 0.107 0.000 2.442 1127 A HA 0.563 4.877 4.320 -0.011 0.000 0.284 1127 A C -2.751 174.852 177.584 0.032 0.000 1.058 1127 A CA -1.279 50.779 52.037 0.035 0.000 0.738 1127 A CB 1.352 20.349 19.000 -0.006 0.000 1.242 1127 A HN 0.420 nan 8.150 nan 0.000 0.421 1128 P HA 0.543 nan 4.420 nan 0.000 0.302 1128 P C -0.590 176.721 177.300 0.019 0.000 1.301 1128 P CA -0.080 63.039 63.100 0.031 0.000 0.745 1128 P CB 0.638 32.353 31.700 0.026 0.000 1.331 1129 K N -1.927 118.489 120.400 0.028 0.000 2.536 1129 K HA 0.757 5.070 4.320 -0.011 0.000 0.269 1129 K C -1.306 175.331 176.600 0.062 0.000 0.965 1129 K CA -0.747 55.563 56.287 0.039 0.000 0.860 1129 K CB 2.372 34.891 32.500 0.032 0.000 1.423 1129 K HN 0.526 nan 8.250 nan 0.000 0.438 1130 A N 1.295 124.164 122.820 0.081 0.000 2.423 1130 A HA 0.700 5.014 4.320 -0.011 0.000 0.304 1130 A C -1.706 175.960 177.584 0.136 0.000 1.104 1130 A CA -0.673 51.450 52.037 0.145 0.000 0.757 1130 A CB 1.114 20.292 19.000 0.297 0.000 1.313 1130 A HN 0.564 nan 8.150 nan 0.000 0.423 1131 L N 0.702 122.014 121.223 0.148 0.000 2.290 1131 L HA 0.536 4.870 4.340 -0.011 0.000 0.284 1131 L C 0.085 177.063 176.870 0.179 0.000 1.078 1131 L CA 0.320 55.232 54.840 0.121 0.000 0.815 1131 L CB 0.868 42.967 42.059 0.066 0.000 1.162 1131 L HN 0.749 nan 8.230 nan 0.000 0.435 1132 E N 4.184 124.478 120.200 0.157 0.000 2.165 1132 E HA 0.505 4.849 4.350 -0.011 0.000 0.266 1132 E C -1.569 175.111 176.600 0.133 0.000 0.889 1132 E CA -0.780 55.730 56.400 0.182 0.000 0.756 1132 E CB 1.602 31.399 29.700 0.162 0.000 1.131 1132 E HN 0.542 nan 8.360 nan 0.000 0.411 1133 V N 3.513 123.488 119.914 0.101 0.000 2.612 1133 V HA 0.330 4.444 4.120 -0.011 0.000 0.301 1133 V C -0.147 176.008 176.094 0.101 0.000 1.046 1133 V CA -0.676 61.655 62.300 0.052 0.000 0.946 1133 V CB 1.611 33.420 31.823 -0.024 0.000 1.003 1133 V HN 0.690 nan 8.190 nan 0.000 0.459 1134 E N 2.393 122.657 120.200 0.107 0.000 2.145 1134 E HA 0.529 4.873 4.350 -0.011 0.000 0.262 1134 E C -1.393 175.288 176.600 0.136 0.000 0.883 1134 E CA -0.415 56.066 56.400 0.134 0.000 0.748 1134 E CB 2.122 31.924 29.700 0.171 0.000 1.140 1134 E HN 0.501 nan 8.360 nan 0.000 0.417 1135 V N 2.120 122.115 119.914 0.134 0.000 2.581 1135 V HA 0.244 4.358 4.120 -0.011 0.000 0.303 1135 V C 0.084 176.254 176.094 0.127 0.000 1.041 1135 V CA -0.942 61.445 62.300 0.146 0.000 0.907 1135 V CB 1.906 33.805 31.823 0.128 0.000 0.994 1135 V HN 0.598 nan 8.190 nan 0.000 0.442 1136 D N 0.228 120.697 120.400 0.114 0.000 2.411 1136 D HA 0.187 4.821 4.640 -0.011 0.000 0.251 1136 D C 0.999 177.372 176.300 0.123 0.000 1.201 1136 D CA -0.013 54.051 54.000 0.107 0.000 0.996 1136 D CB 0.876 41.723 40.800 0.079 0.000 1.101 1136 D HN 0.701 nan 8.370 nan 0.000 0.504 1137 H N 0.263 119.352 119.070 0.031 0.000 2.462 1137 H HA 0.215 4.764 4.556 -0.011 0.000 0.292 1137 H C 0.102 175.437 175.328 0.012 0.000 1.049 1137 H CA 1.172 57.230 56.048 0.017 0.000 1.334 1137 H CB -0.030 29.725 29.762 -0.011 0.000 1.404 1137 H HN 0.251 nan 8.280 nan 0.000 0.544 1138 A N 1.400 124.239 122.820 0.031 0.000 2.797 1138 A HA 0.447 4.760 4.320 -0.011 0.000 0.296 1138 A C -0.626 176.943 177.584 -0.024 0.000 1.580 1138 A CA -0.273 51.753 52.037 -0.019 0.000 1.277 1138 A CB -1.407 17.602 19.000 0.015 0.000 1.101 1138 A HN 0.494 nan 8.150 nan 0.000 0.562 1139 L N -0.172 121.014 121.223 -0.062 0.000 2.393 1139 L HA 0.832 5.166 4.340 -0.011 0.000 0.260 1139 L C -0.625 176.222 176.870 -0.039 0.000 1.002 1139 L CA -0.743 54.085 54.840 -0.021 0.000 0.818 1139 L CB 1.119 43.186 42.059 0.012 0.000 1.369 1139 L HN 0.313 nan 8.230 nan 0.000 0.412 1140 L N 0.372 121.588 121.223 -0.011 0.000 2.635 1140 L HA 0.468 4.801 4.340 -0.011 0.000 0.250 1140 L C 0.470 177.328 176.870 -0.019 0.000 1.117 1140 L CA -0.084 54.745 54.840 -0.018 0.000 0.834 1140 L CB 1.409 43.465 42.059 -0.006 0.000 1.544 1140 L HN 0.994 nan 8.230 nan 0.000 0.511 1141 D N -0.699 119.690 120.400 -0.018 0.000 2.634 1141 D HA -0.088 4.545 4.640 -0.011 0.000 0.262 1141 D C 0.388 176.681 176.300 -0.011 0.000 1.354 1141 D CA 0.272 54.260 54.000 -0.020 0.000 1.028 1141 D CB 0.135 40.923 40.800 -0.021 0.000 1.061 1141 D HN 0.393 nan 8.370 nan 0.000 0.387 1142 E N 0.195 120.390 120.200 -0.008 0.000 3.108 1142 E HA -0.145 4.199 4.350 -0.011 0.000 0.268 1142 E C 0.104 176.707 176.600 0.005 0.000 1.070 1142 E CA 0.639 57.037 56.400 -0.004 0.000 1.075 1142 E CB -0.183 29.516 29.700 -0.002 0.000 1.033 1142 E HN 0.215 nan 8.360 nan 0.000 0.440 1143 K N -1.260 119.142 120.400 0.003 0.000 2.813 1143 K HA 0.060 4.373 4.320 -0.011 0.000 0.172 1143 K C 0.779 177.377 176.600 -0.003 0.000 2.133 1143 K CA 0.274 56.570 56.287 0.016 0.000 1.411 1143 K CB -0.064 32.459 32.500 0.038 0.000 2.404 1143 K HN 0.241 nan 8.250 nan 0.000 0.565 1147 R N -0.567 119.935 120.500 0.003 0.000 2.088 1147 R HA -0.133 4.200 4.340 -0.011 0.000 0.232 1147 R C 2.076 178.382 176.300 0.010 0.000 1.136 1147 R CA 2.036 58.147 56.100 0.019 0.000 0.926 1147 R CB -0.306 30.021 30.300 0.044 0.000 0.837 1147 R HN 0.537 nan 8.270 nan 0.000 0.429 1148 L N 1.695 122.911 121.223 -0.010 0.000 2.083 1148 L HA -0.170 4.163 4.340 -0.011 0.000 0.209 1148 L C 1.910 178.749 176.870 -0.052 0.000 1.083 1148 L CA 1.835 56.636 54.840 -0.066 0.000 0.752 1148 L CB -0.230 41.748 42.059 -0.135 0.000 0.899 1148 L HN 0.049 nan 8.230 nan 0.000 0.433 1149 K N -0.683 119.693 120.400 -0.040 0.000 2.097 1149 K HA -0.139 4.175 4.320 -0.011 0.000 0.206 1149 K C 2.205 178.791 176.600 -0.023 0.000 1.049 1149 K CA 1.600 57.866 56.287 -0.035 0.000 0.933 1149 K CB -0.235 32.245 32.500 -0.034 0.000 0.717 1149 K HN 0.623 nan 8.250 nan 0.000 0.442 1150 S N 0.910 116.601 115.700 -0.015 0.000 2.406 1150 S HA -0.019 4.445 4.470 -0.011 0.000 0.224 1150 S C 2.062 176.661 174.600 -0.002 0.000 1.030 1150 S CA 0.291 58.483 58.200 -0.014 0.000 0.958 1150 S CB -0.411 62.782 63.200 -0.012 0.000 0.811 1150 S HN 0.150 nan 8.310 nan 0.000 0.489 1151 L N 0.871 122.106 121.223 0.020 0.000 2.043 1151 L HA -0.092 4.242 4.340 -0.011 0.000 0.212 1151 L C 2.545 179.488 176.870 0.123 0.000 1.075 1151 L CA 1.527 56.409 54.840 0.070 0.000 0.752 1151 L CB -0.540 41.549 42.059 0.051 0.000 0.891 1151 L HN 0.355 nan 8.230 nan 0.000 0.432 1152 L N -1.376 119.879 121.223 0.054 0.000 2.179 1152 L HA -0.134 4.199 4.340 -0.011 0.000 0.208 1152 L C 2.049 178.939 176.870 0.033 0.000 1.096 1152 L CA 0.526 55.401 54.840 0.057 0.000 0.779 1152 L CB -0.613 41.447 42.059 0.003 0.000 0.922 1152 L HN 0.194 nan 8.230 nan 0.000 0.443 1153 D N 0.697 121.094 120.400 -0.006 0.000 2.182 1153 D HA -0.180 4.453 4.640 -0.011 0.000 0.201 1153 D C 1.811 178.067 176.300 -0.074 0.000 0.986 1153 D CA 1.190 55.171 54.000 -0.033 0.000 0.847 1153 D CB 0.051 40.830 40.800 -0.036 0.000 0.942 1153 D HN 0.423 nan 8.370 nan 0.000 0.467 1154 E N -0.661 119.456 120.200 -0.139 0.000 2.489 1154 E HA -0.016 4.328 4.350 -0.011 0.000 0.193 1154 E C 0.055 176.305 176.600 -0.584 0.000 1.057 1154 E CA 0.305 56.501 56.400 -0.340 0.000 0.866 1154 E CB 0.316 29.770 29.700 -0.410 0.000 0.916 1154 E HN 0.387 nan 8.360 nan 0.000 0.500 1155 H N 0.669 119.732 119.070 -0.012 0.000 2.380 1155 H HA 0.205 4.755 4.556 -0.011 0.000 0.231 1155 H C -2.382 172.940 175.328 -0.010 0.000 1.415 1155 H CA -1.883 54.159 56.048 -0.010 0.000 1.433 1155 H CB 0.394 30.151 29.762 -0.009 0.000 1.544 1155 H HN 0.120 nan 8.280 nan 0.000 0.503 1156 P HA 0.316 nan 4.420 nan 0.000 0.273 1156 P C 0.632 177.954 177.300 0.036 0.000 1.250 1156 P CA 0.270 63.387 63.100 0.029 0.000 0.793 1156 P CB 2.037 33.738 31.700 0.003 0.000 1.011 1157 G N -0.519 108.294 108.800 0.023 0.000 2.609 1157 G HA2 0.288 4.241 3.960 -0.011 0.000 0.082 1157 G HA3 0.288 4.241 3.960 -0.011 0.000 0.082 1157 G C -0.421 174.487 174.900 0.013 0.000 1.075 1157 G CA 0.276 45.388 45.100 0.020 0.000 1.172 1157 G HN 0.664 nan 8.290 nan 0.000 0.532 1158 S N -0.541 115.168 115.700 0.015 0.000 3.051 1158 S HA 0.381 4.845 4.470 -0.011 0.000 0.250 1158 S C 0.035 174.646 174.600 0.018 0.000 0.906 1158 S CA -0.294 57.913 58.200 0.012 0.000 1.234 1158 S CB -0.392 62.813 63.200 0.009 0.000 1.175 1158 S HN 0.547 nan 8.310 nan 0.000 0.635 1159 L N 2.434 123.672 121.223 0.025 0.000 2.290 1159 L HA 0.536 4.870 4.340 -0.011 0.000 0.284 1159 L C -2.622 174.269 176.870 0.035 0.000 1.078 1159 L CA -2.144 52.722 54.840 0.043 0.000 0.815 1159 L CB 0.385 42.475 42.059 0.051 0.000 1.162 1159 L HN -0.022 nan 8.230 nan 0.000 0.435 1160 P HA 0.092 nan 4.420 nan 0.000 0.272 1160 P C -0.745 176.543 177.300 -0.020 0.000 1.223 1160 P CA -0.237 62.840 63.100 -0.038 0.000 0.784 1160 P CB 0.882 32.535 31.700 -0.077 0.000 0.923 1161 V N 3.462 123.301 119.914 -0.125 0.000 2.417 1161 V HA 0.327 4.440 4.120 -0.011 0.000 0.291 1161 V C -0.482 175.525 176.094 -0.145 0.000 1.024 1161 V CA -0.347 61.929 62.300 -0.041 0.000 0.861 1161 V CB 0.309 32.116 31.823 -0.028 0.000 0.985 1161 V HN 0.405 nan 8.190 nan 0.000 0.436 1162 Y N 4.502 124.826 120.300 0.041 0.000 2.457 1162 Y HA 0.766 5.309 4.550 -0.011 0.000 0.333 1162 Y C -0.061 175.880 175.900 0.067 0.000 1.119 1162 Y CA -0.997 57.139 58.100 0.059 0.000 1.143 1162 Y CB 1.761 40.252 38.460 0.051 0.000 1.230 1162 Y HN 0.410 nan 8.280 nan 0.000 0.469 1163 L N 3.013 124.388 121.223 0.253 0.000 2.409 1163 L HA 0.558 4.891 4.340 -0.011 0.000 0.272 1163 L C -0.611 176.384 176.870 0.208 0.000 0.980 1163 L CA -0.808 54.152 54.840 0.200 0.000 0.826 1163 L CB 1.808 43.974 42.059 0.179 0.000 1.268 1163 L HN 0.482 nan 8.230 nan 0.000 0.407 1164 R N 2.792 123.388 120.500 0.161 0.000 2.205 1164 R HA 0.389 4.722 4.340 -0.011 0.000 0.342 1164 R C -0.939 175.449 176.300 0.146 0.000 1.058 1164 R CA -0.528 55.647 56.100 0.125 0.000 0.904 1164 R CB 1.303 31.653 30.300 0.083 0.000 1.089 1164 R HN 0.315 nan 8.270 nan 0.000 0.471 1165 V N 5.969 125.996 119.914 0.187 0.000 2.288 1165 V HA 0.159 4.272 4.120 -0.011 0.000 0.266 1165 V C 0.640 176.841 176.094 0.178 0.000 1.048 1165 V CA -0.615 61.814 62.300 0.214 0.000 0.842 1165 V CB 0.763 32.781 31.823 0.325 0.000 1.064 1165 V HN 0.660 nan 8.190 nan 0.000 0.472 1166 L N 5.292 126.592 121.223 0.129 0.000 2.699 1166 L HA 0.227 4.560 4.340 -0.011 0.000 0.283 1166 L C 1.391 178.319 176.870 0.096 0.000 1.166 1166 L CA 0.395 55.289 54.840 0.089 0.000 1.043 1166 L CB -0.333 41.763 42.059 0.061 0.000 1.369 1166 L HN 0.769 nan 8.230 nan 0.000 0.462 1167 G N 3.307 112.162 108.800 0.093 0.000 2.588 1167 G HA2 0.273 4.227 3.960 -0.011 0.000 0.278 1167 G HA3 0.273 4.227 3.960 -0.011 0.000 0.278 1167 G C -1.620 173.129 174.900 -0.251 0.000 1.307 1167 G CA -0.810 44.279 45.100 -0.017 0.000 1.016 1167 G HN 0.411 nan 8.290 nan 0.000 0.503 1168 P HA 0.065 nan 4.420 nan 0.000 0.216 1168 P C 0.017 176.987 177.300 -0.550 0.000 1.153 1168 P CA 1.003 63.640 63.100 -0.772 0.000 0.844 1168 P CB 0.058 30.984 31.700 -1.289 0.000 0.787 1169 F N -2.020 117.923 119.950 -0.012 0.000 2.959 1169 F HA 0.770 5.290 4.527 -0.011 0.000 0.379 1169 F C 0.247 176.110 175.800 0.105 0.000 1.215 1169 F CA -0.968 57.051 58.000 0.032 0.000 1.190 1169 F CB 1.013 40.019 39.000 0.010 0.000 1.574 1169 F HN 0.070 nan 8.300 nan 0.000 0.575 1170 G N 1.158 110.164 108.800 0.342 0.000 2.525 1170 G HA2 0.063 4.017 3.960 -0.011 0.000 0.685 1170 G HA3 0.063 4.017 3.960 -0.011 0.000 0.685 1170 G C -1.997 173.235 174.900 0.552 0.000 1.285 1170 G CA -1.147 44.301 45.100 0.579 0.000 0.849 1170 G HN 0.789 nan 8.290 nan 0.000 0.653 1171 E N 0.627 121.013 120.200 0.310 0.000 2.149 1171 E HA 0.602 4.945 4.350 -0.011 0.000 0.255 1171 E C 0.542 177.103 176.600 -0.064 0.000 0.888 1171 E CA -0.216 56.108 56.400 -0.128 0.000 0.742 1171 E CB 0.909 30.385 29.700 -0.373 0.000 1.164 1171 E HN 1.133 nan 8.360 nan 0.000 0.422 1172 A N 4.418 127.522 122.820 0.474 0.000 2.351 1172 A HA 0.430 4.744 4.320 -0.011 0.000 0.257 1172 A C -0.389 177.229 177.584 0.057 0.000 1.087 1172 A CA -0.380 51.879 52.037 0.370 0.000 0.798 1172 A CB 0.491 19.546 19.000 0.091 0.000 1.033 1172 A HN 0.741 nan 8.150 nan 0.000 0.488 1173 L N 1.876 123.048 121.223 -0.085 0.000 2.408 1173 L HA 0.330 4.664 4.340 -0.011 0.000 0.257 1173 L C -1.398 175.411 176.870 -0.101 0.000 1.053 1173 L CA 0.054 54.876 54.840 -0.029 0.000 0.922 1173 L CB 0.244 42.324 42.059 0.035 0.000 1.261 1173 L HN 0.669 nan 8.230 nan 0.000 0.458 1174 F N 2.267 122.300 119.950 0.138 0.000 2.375 1174 F HA 0.433 4.953 4.527 -0.011 0.000 0.362 1174 F C 1.094 176.924 175.800 0.050 0.000 1.129 1174 F CA -0.493 57.559 58.000 0.087 0.000 1.154 1174 F CB 0.913 39.950 39.000 0.062 0.000 1.205 1174 F HN 0.405 nan 8.300 nan 0.000 0.513 1175 A N 4.069 126.976 122.820 0.144 0.000 2.425 1175 A HA 0.305 4.619 4.320 -0.011 0.000 0.249 1175 A C 0.755 178.302 177.584 -0.062 0.000 1.084 1175 A CA -0.504 51.449 52.037 -0.139 0.000 0.781 1175 A CB 0.459 19.265 19.000 -0.324 0.000 1.019 1175 A HN 0.827 nan 8.150 nan 0.000 0.490 1176 L N 1.923 123.066 121.223 -0.133 0.000 1.855 1176 L HA 0.043 4.377 4.340 -0.011 0.000 0.232 1176 L C 1.977 178.817 176.870 -0.050 0.000 1.090 1176 L CA 2.217 57.017 54.840 -0.067 0.000 0.843 1176 L CB -0.380 41.631 42.059 -0.080 0.000 0.895 1176 L HN 1.006 nan 8.230 nan 0.000 0.431 1177 R N -3.393 117.070 120.500 -0.061 0.000 4.806 1177 R HA 0.078 4.411 4.340 -0.011 0.000 0.090 1177 R C 1.560 177.835 176.300 -0.041 0.000 0.547 1177 R CA 0.222 56.297 56.100 -0.042 0.000 0.625 1177 R CB -0.124 30.155 30.300 -0.034 0.000 0.773 1177 R HN 0.255 nan 8.270 nan 0.000 0.358 1178 E N 0.843 121.022 120.200 -0.035 0.000 2.102 1178 E HA 0.106 4.449 4.350 -0.011 0.000 0.190 1178 E C 0.081 176.663 176.600 -0.030 0.000 0.971 1178 E CA 0.409 56.792 56.400 -0.029 0.000 0.821 1178 E CB 0.343 30.029 29.700 -0.024 0.000 0.777 1178 E HN -0.014 nan 8.360 nan 0.000 0.460 1179 V N 2.720 122.614 119.914 -0.032 0.000 2.617 1179 V HA -0.041 4.072 4.120 -0.011 0.000 0.304 1179 V C 0.236 176.313 176.094 -0.027 0.000 1.040 1179 V CA 0.790 63.074 62.300 -0.027 0.000 1.149 1179 V CB 0.091 31.897 31.823 -0.027 0.000 0.914 1179 V HN 0.193 nan 8.190 nan 0.000 0.487 1180 R N 3.589 124.081 120.500 -0.013 0.000 2.468 1180 R HA 0.498 4.832 4.340 -0.011 0.000 0.302 1180 R C -1.043 175.263 176.300 0.011 0.000 1.041 1180 R CA -0.649 55.447 56.100 -0.007 0.000 0.899 1180 R CB 1.825 32.121 30.300 -0.006 0.000 1.167 1180 R HN 0.520 nan 8.270 nan 0.000 0.483 1181 V N 1.234 121.157 119.914 0.016 0.000 3.051 1181 V HA 0.211 4.324 4.120 -0.011 0.000 0.306 1181 V C 1.242 177.355 176.094 0.032 0.000 1.083 1181 V CA 0.363 62.682 62.300 0.031 0.000 1.104 1181 V CB 1.593 33.429 31.823 0.022 0.000 1.027 1181 V HN 0.989 nan 8.190 nan 0.000 0.483 1182 G N 1.091 109.916 108.800 0.040 0.000 3.959 1182 G HA2 0.423 4.376 3.960 -0.011 0.000 0.298 1182 G HA3 0.423 4.376 3.960 -0.011 0.000 0.298 1182 G C 0.447 175.357 174.900 0.017 0.000 1.211 1182 G CA 0.388 45.508 45.100 0.032 0.000 1.001 1182 G HN 0.938 nan 8.290 nan 0.000 0.561 1183 E N -0.578 119.628 120.200 0.009 0.000 4.458 1183 E HA -0.343 4.000 4.350 -0.011 0.000 0.172 1183 E C 1.618 178.204 176.600 -0.023 0.000 1.192 1183 E CA 1.957 58.358 56.400 0.000 0.000 2.456 1183 E CB -0.986 28.717 29.700 0.006 0.000 1.755 1183 E HN 0.615 nan 8.360 nan 0.000 0.473 1184 E N 1.274 121.453 120.200 -0.034 0.000 2.219 1184 E HA -0.154 4.190 4.350 -0.011 0.000 0.198 1184 E C 1.909 178.435 176.600 -0.123 0.000 0.998 1184 E CA 1.381 57.740 56.400 -0.067 0.000 0.818 1184 E CB -0.191 29.469 29.700 -0.067 0.000 0.741 1184 E HN 0.498 nan 8.360 nan 0.000 0.477 1185 A N 1.180 123.918 122.820 -0.138 0.000 2.070 1185 A HA -0.118 4.196 4.320 -0.011 0.000 0.220 1185 A C 2.109 179.630 177.584 -0.105 0.000 1.159 1185 A CA 0.885 52.818 52.037 -0.174 0.000 0.656 1185 A CB -0.572 18.356 19.000 -0.120 0.000 0.800 1185 A HN 0.337 nan 8.150 nan 0.000 0.453 1186 L N -0.450 120.732 121.223 -0.068 0.000 1.994 1186 L HA -0.093 4.240 4.340 -0.011 0.000 0.208 1186 L C 2.498 179.335 176.870 -0.056 0.000 1.071 1186 L CA 2.010 56.819 54.840 -0.051 0.000 0.745 1186 L CB -0.711 41.329 42.059 -0.032 0.000 0.892 1186 L HN 0.344 nan 8.230 nan 0.000 0.431 1187 G N -0.132 108.635 108.800 -0.055 0.000 2.440 1187 G HA2 -0.241 3.713 3.960 -0.011 0.000 0.218 1187 G HA3 -0.241 3.713 3.960 -0.011 0.000 0.218 1187 G C 1.504 176.375 174.900 -0.049 0.000 1.154 1187 G CA 1.105 46.177 45.100 -0.047 0.000 0.767 1187 G HN 0.425 nan 8.290 nan 0.000 0.552 1188 L N -0.402 120.778 121.223 -0.073 0.000 2.395 1188 L HA 0.132 4.465 4.340 -0.011 0.000 0.218 1188 L C 2.471 179.322 176.870 -0.032 0.000 1.130 1188 L CA -0.051 54.748 54.840 -0.068 0.000 0.826 1188 L CB -0.166 41.811 42.059 -0.136 0.000 0.941 1188 L HN 0.176 nan 8.230 nan 0.000 0.451 1189 L N -0.293 120.911 121.223 -0.031 0.000 2.202 1189 L HA 0.000 4.334 4.340 -0.011 0.000 0.205 1189 L C 2.155 179.061 176.870 0.060 0.000 1.083 1189 L CA 1.489 56.340 54.840 0.018 0.000 0.790 1189 L CB -0.279 41.764 42.059 -0.026 0.000 0.942 1189 L HN 0.130 nan 8.230 nan 0.000 0.452 1190 E N -0.274 119.927 120.200 0.002 0.000 2.516 1190 E HA 0.002 4.345 4.350 -0.011 0.000 0.199 1190 E C 1.106 177.702 176.600 -0.007 0.000 1.069 1190 E CA 0.500 56.892 56.400 -0.013 0.000 0.876 1190 E CB -0.005 29.663 29.700 -0.053 0.000 0.843 1190 E HN 0.507 nan 8.360 nan 0.000 0.530 1191 A N 1.237 124.060 122.820 0.006 0.000 2.579 1191 A HA 0.167 4.481 4.320 -0.011 0.000 0.273 1191 A C 0.016 177.607 177.584 0.010 0.000 1.363 1191 A CA 0.221 52.258 52.037 0.001 0.000 0.953 1191 A CB 0.078 19.077 19.000 -0.001 0.000 1.034 1191 A HN 0.067 nan 8.150 nan 0.000 0.536 1192 E N -3.054 117.152 120.200 0.009 0.000 2.442 1192 E HA 0.410 4.754 4.350 -0.011 0.000 0.278 1192 E C 0.777 177.282 176.600 -0.158 0.000 1.082 1192 E CA -0.224 56.146 56.400 -0.050 0.000 0.861 1192 E CB 0.498 30.215 29.700 0.028 0.000 1.462 1192 E HN 0.121 nan 8.360 nan 0.000 0.458 1193 G N 0.191 108.775 108.800 -0.359 0.000 2.959 1193 G HA2 -0.075 3.879 3.960 -0.011 0.000 0.203 1193 G HA3 -0.075 3.879 3.960 -0.011 0.000 0.203 1193 G C -0.503 174.149 174.900 -0.413 0.000 1.176 1193 G CA 0.807 45.676 45.100 -0.386 0.000 0.860 1193 G HN 0.198 nan 8.290 nan 0.000 0.507 1194 Y N -0.421 119.857 120.300 -0.036 0.000 2.331 1194 Y HA 0.476 5.020 4.550 -0.011 0.000 0.338 1194 Y C 0.845 176.696 175.900 -0.081 0.000 0.992 1194 Y CA -1.199 56.875 58.100 -0.044 0.000 1.121 1194 Y CB 1.375 39.813 38.460 -0.037 0.000 1.184 1194 Y HN -0.181 nan 8.280 nan 0.000 0.469 1195 R N 2.251 122.782 120.500 0.052 0.000 2.308 1195 R HA 0.782 5.115 4.340 -0.011 0.000 0.305 1195 R C -0.764 175.407 176.300 -0.216 0.000 1.053 1195 R CA -0.418 55.617 56.100 -0.110 0.000 0.957 1195 R CB 0.992 31.242 30.300 -0.082 0.000 1.022 1195 R HN 0.836 nan 8.270 nan 0.000 0.461 1196 A N 3.262 125.803 122.820 -0.465 0.000 2.587 1196 A HA 0.704 5.017 4.320 -0.011 0.000 0.293 1196 A C -1.828 175.319 177.584 -0.728 0.000 1.087 1196 A CA -0.627 51.151 52.037 -0.431 0.000 0.692 1196 A CB 1.336 20.242 19.000 -0.157 0.000 1.291 1196 A HN 0.667 nan 8.150 nan 0.000 0.407 1197 Y N -0.650 119.659 120.300 0.015 0.000 2.534 1197 Y HA 0.557 5.100 4.550 -0.011 0.000 0.345 1197 Y C -0.535 175.367 175.900 0.003 0.000 1.031 1197 Y CA -0.714 57.388 58.100 0.003 0.000 1.022 1197 Y CB 2.095 40.550 38.460 -0.009 0.000 1.292 1197 Y HN 0.548 nan 8.280 nan 0.000 0.459 1198 L N 4.399 125.717 121.223 0.159 0.000 2.328 1198 L HA 0.499 4.833 4.340 -0.011 0.000 0.280 1198 L C -0.401 176.511 176.870 0.071 0.000 1.111 1198 L CA -0.427 54.468 54.840 0.092 0.000 0.909 1198 L CB -0.081 42.013 42.059 0.059 0.000 1.277 1198 L HN 0.498 nan 8.230 nan 0.000 0.433 1199 V N 3.444 123.387 119.914 0.049 0.000 2.716 1199 V HA 0.723 4.837 4.120 -0.011 0.000 0.304 1199 V C -2.395 173.681 176.094 -0.030 0.000 1.053 1199 V CA -2.363 59.925 62.300 -0.020 0.000 0.984 1199 V CB 0.943 32.717 31.823 -0.083 0.000 1.021 1199 V HN 0.525 nan 8.190 nan 0.000 0.467 1200 P HA 0.119 nan 4.420 nan 0.000 0.268 1200 P C -0.700 176.599 177.300 -0.002 0.000 1.205 1200 P CA 0.160 63.265 63.100 0.009 0.000 0.771 1200 P CB 0.244 31.965 31.700 0.035 0.000 0.858 1201 D N 2.021 122.454 120.400 0.056 0.000 2.401 1201 D HA -0.012 4.622 4.640 -0.011 0.000 0.254 1201 D C 1.282 177.649 176.300 0.112 0.000 1.192 1201 D CA 0.132 54.174 54.000 0.071 0.000 0.885 1201 D CB 0.360 41.214 40.800 0.091 0.000 1.147 1201 D HN 0.217 nan 8.370 nan 0.000 0.478 1202 R N 3.172 123.692 120.500 0.032 0.000 2.120 1202 R HA -0.115 4.218 4.340 -0.011 0.000 0.234 1202 R C 1.314 177.710 176.300 0.160 0.000 1.123 1202 R CA 0.862 57.002 56.100 0.066 0.000 0.975 1202 R CB 0.252 30.520 30.300 -0.053 0.000 0.866 1202 R HN 0.563 nan 8.270 nan 0.000 0.446 1203 E N 0.195 120.482 120.200 0.144 0.000 2.049 1203 E HA -0.194 4.149 4.350 -0.011 0.000 0.198 1203 E C 2.019 178.615 176.600 -0.007 0.000 1.007 1203 E CA 1.359 57.809 56.400 0.084 0.000 0.809 1203 E CB -0.436 29.306 29.700 0.071 0.000 0.749 1203 E HN 0.136 nan 8.360 nan 0.000 0.450 1204 V N 1.053 120.882 119.914 -0.142 0.000 2.428 1204 V HA -0.245 3.868 4.120 -0.011 0.000 0.255 1204 V C 1.216 177.048 176.094 -0.438 0.000 1.080 1204 V CA 1.508 63.578 62.300 -0.384 0.000 1.083 1204 V CB -0.498 30.927 31.823 -0.664 0.000 0.665 1204 V HN 0.025 nan 8.190 nan 0.000 0.461 1205 F N 0.000 119.882 119.950 -0.114 0.000 2.286 1205 F HA 0.000 4.520 4.527 -0.011 0.000 0.279 1205 F CA 0.000 57.895 58.000 -0.175 0.000 1.383 1205 F CB 0.000 38.634 39.000 -0.611 0.000 1.145 1205 F HN 0.000 nan 8.300 nan 0.000 0.574