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 2ot8_1_B DATA FIRST_RESID 10 DATA SEQUENCE QGLQQILQLL KESQSPDTTI QRTVQQKLEQ LNXXXXXNNY LIFVLTKLKX DATA SEQUENCE XXXXXRSLSG LILKNNVKAH FQNFPNGVTD FIKSECLNNI GDSSPLIRAT DATA SEQUENCE VGILITTIAS KGELQNWPDL LPKLCSLLDS EDYNTCEGAF GALQKICEDS DATA SEQUENCE AEXXXXXXXX XPLNIMIPKF LQFFKHSSPK IRSHAVACVN QFIISRTQAL DATA SEQUENCE MLHIDSFIEN LFALAGDEEP EVRKNVCRAL VMLLEVRMDR LLPHMHNIVE DATA SEQUENCE YMLQRTQDQD ENVALEAcEF WLTLAEQPIC KDVLVRHLPK LIPVLVNGMK DATA SEQUENCE YSDIDIILLK XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXDT ISDWNLRKcS AAALDVLANV YRDELLPHIL PLLKELLFHH DATA SEQUENCE EWVVKESGIL VLGAIAEGCM QGMIPYLPEL IPHLIQCLSD KKALVRSITC DATA SEQUENCE WTLSRYAHWV VSQPPDTYLK PLMTELLKRI LDSNKRVQEA ACSAFATLEE DATA SEQUENCE EACTELVPYL AYILDTLVFA FSKYQHKNLL ILYDAIGTLA DSVGHHLNKP DATA SEQUENCE EYIQMLMPPL IQKWNMLKDE DKDLFPLLEC LSSVATALQS GFLPYCEPVY DATA SEQUENCE QRCVNLVQKT LAQAMLNNAQ PDQYEAPDKD FMIVALDLLS GLAEGLGGNI DATA SEQUENCE EQLVARSNIL TLMYQCMQDK MPEVRQSSFA LLGDLTKACF QHVKPCIADF DATA SEQUENCE MPILGTNLNP EFISVCNNAT WAIGEISIQM GIEMQPYIPM VLHQLVEIIN DATA SEQUENCE RPNTPKTLLE NTAITIGRLG YVCPQEVAPM LQQFIRPWCT SLRNIRDNEE DATA SEQUENCE KDSAFRGICT MISVNPSGVI QDFIFFCDAV ASWINPKDDL RDMFCKILHG DATA SEQUENCE FKNQVGDENW RRFSDQFPLP LKERLAAFYG V 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 10 Q HA 0.000 nan 4.340 nan 0.000 0.214 10 Q C 0.000 175.995 176.000 -0.008 0.000 1.003 10 Q CA 0.000 55.800 55.803 -0.005 0.000 1.022 10 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 11 G N 0.809 109.602 108.800 -0.011 0.000 2.586 11 G HA2 0.189 4.144 3.960 -0.009 0.000 0.218 11 G HA3 0.189 4.144 3.960 -0.009 0.000 0.218 11 G C 1.450 176.341 174.900 -0.014 0.000 1.216 11 G CA 3.201 48.292 45.100 -0.014 0.000 0.786 11 G HN 1.651 nan 8.290 nan 0.000 0.583 12 L N -1.001 120.214 121.223 -0.013 0.000 3.229 12 L HA 0.834 5.168 4.340 -0.009 0.000 0.286 12 L C 2.252 179.118 176.870 -0.007 0.000 1.239 12 L CA 1.258 56.092 54.840 -0.011 0.000 1.035 12 L CB -1.083 40.967 42.059 -0.015 0.000 1.408 12 L HN 0.560 nan 8.230 nan 0.000 0.593 13 Q N -0.862 118.935 119.800 -0.005 0.000 2.515 13 Q HA 0.201 4.535 4.340 -0.009 0.000 0.214 13 Q C 1.752 177.751 176.000 -0.002 0.000 0.971 13 Q CA 1.506 57.308 55.803 -0.002 0.000 0.952 13 Q CB -1.062 27.675 28.738 -0.002 0.000 0.999 13 Q HN 1.364 nan 8.270 nan 0.000 0.524 14 Q N -1.053 118.745 119.800 -0.002 0.000 2.444 14 Q HA 0.508 4.842 4.340 -0.009 0.000 0.206 14 Q C 1.885 177.884 176.000 -0.001 0.000 0.948 14 Q CA 1.071 56.873 55.803 -0.001 0.000 0.946 14 Q CB -0.616 28.121 28.738 -0.002 0.000 1.027 14 Q HN 1.377 nan 8.270 nan 0.000 0.513 15 I N -2.042 118.527 120.570 -0.001 0.000 3.968 15 I HA 0.617 4.781 4.170 -0.009 0.000 0.328 15 I C 2.488 178.605 176.117 0.001 0.000 1.290 15 I CA 1.021 62.321 61.300 -0.001 0.000 1.163 15 I CB -0.619 37.380 38.000 -0.003 0.000 1.024 15 I HN 0.622 nan 8.210 nan 0.000 0.413 16 L N -0.710 120.514 121.223 0.001 0.000 2.179 16 L HA 0.222 4.557 4.340 -0.009 0.000 0.208 16 L C 2.427 179.299 176.870 0.003 0.000 1.096 16 L CA 2.215 57.057 54.840 0.003 0.000 0.779 16 L CB -1.878 40.183 42.059 0.003 0.000 0.922 16 L HN 0.810 nan 8.230 nan 0.000 0.443 17 Q N -0.780 119.021 119.800 0.002 0.000 2.451 17 Q HA 0.443 4.778 4.340 -0.009 0.000 0.206 17 Q C 2.067 178.068 176.000 0.003 0.000 0.947 17 Q CA 1.836 57.640 55.803 0.002 0.000 0.937 17 Q CB -1.000 27.739 28.738 0.002 0.000 1.025 17 Q HN 1.390 nan 8.270 nan 0.000 0.511 18 L N -1.668 119.557 121.223 0.003 0.000 2.357 18 L HA 0.627 4.961 4.340 -0.009 0.000 0.211 18 L C 2.906 179.779 176.870 0.004 0.000 1.075 18 L CA 1.371 56.213 54.840 0.003 0.000 0.830 18 L CB -1.265 40.795 42.059 0.003 0.000 0.996 18 L HN 0.796 nan 8.230 nan 0.000 0.467 19 L N -0.416 120.809 121.223 0.004 0.000 2.291 19 L HA 0.247 4.582 4.340 -0.009 0.000 0.214 19 L C 2.873 179.746 176.870 0.005 0.000 1.120 19 L CA 2.327 57.170 54.840 0.004 0.000 0.799 19 L CB -2.062 39.999 42.059 0.004 0.000 0.925 19 L HN 0.719 nan 8.230 nan 0.000 0.446 20 K N 0.273 120.675 120.400 0.004 0.000 2.366 20 K HA 0.269 4.583 4.320 -0.009 0.000 0.198 20 K C 1.807 178.410 176.600 0.004 0.000 1.044 20 K CA 1.374 57.664 56.287 0.004 0.000 0.973 20 K CB -1.000 31.503 32.500 0.004 0.000 0.767 20 K HN 0.968 nan 8.250 nan 0.000 0.475 21 E N -0.450 119.752 120.200 0.004 0.000 2.444 21 E HA 0.506 4.850 4.350 -0.009 0.000 0.191 21 E C 1.616 178.219 176.600 0.005 0.000 1.041 21 E CA 0.881 57.283 56.400 0.004 0.000 0.883 21 E CB -0.586 29.116 29.700 0.004 0.000 1.024 21 E HN 0.767 nan 8.360 nan 0.000 0.470 22 S N -1.532 114.172 115.700 0.005 0.000 2.653 22 S HA 0.388 4.852 4.470 -0.009 0.000 0.259 22 S C 1.943 176.546 174.600 0.006 0.000 1.076 22 S CA 1.016 59.220 58.200 0.006 0.000 1.051 22 S CB 0.271 63.475 63.200 0.007 0.000 0.994 22 S HN 0.612 nan 8.310 nan 0.000 0.552 23 Q N -0.055 119.749 119.800 0.006 0.000 2.246 23 Q HA 0.737 5.071 4.340 -0.009 0.000 0.202 23 Q C 1.188 177.192 176.000 0.005 0.000 0.883 23 Q CA 1.035 56.842 55.803 0.006 0.000 0.952 23 Q CB -0.652 28.090 28.738 0.006 0.000 1.078 23 Q HN 1.181 nan 8.270 nan 0.000 0.493 24 S N -1.668 114.035 115.700 0.005 0.000 2.760 24 S HA 0.565 5.029 4.470 -0.009 0.000 0.263 24 S C -0.084 174.518 174.600 0.004 0.000 1.007 24 S CA 0.575 58.778 58.200 0.005 0.000 1.358 24 S CB -0.745 62.458 63.200 0.004 0.000 1.228 24 S HN 0.749 nan 8.310 nan 0.000 0.684 25 P HA 0.584 nan 4.420 nan 0.000 0.271 25 P C -0.176 177.126 177.300 0.004 0.000 1.244 25 P CA 0.768 63.871 63.100 0.004 0.000 0.793 25 P CB -0.092 31.610 31.700 0.005 0.000 0.984 26 D N -2.045 118.358 120.400 0.004 0.000 2.478 26 D HA 0.575 5.209 4.640 -0.009 0.000 0.263 26 D C 1.609 177.911 176.300 0.004 0.000 1.153 26 D CA 0.763 54.765 54.000 0.004 0.000 1.038 26 D CB -0.254 40.548 40.800 0.003 0.000 1.120 26 D HN 0.748 nan 8.370 nan 0.000 0.564 27 T N -1.990 112.566 114.554 0.003 0.000 2.746 27 T HA 0.141 4.485 4.350 -0.009 0.000 0.267 27 T C 2.295 176.997 174.700 0.004 0.000 1.039 27 T CA 3.466 65.568 62.100 0.004 0.000 1.142 27 T CB -1.327 67.543 68.868 0.003 0.000 0.866 27 T HN 0.862 nan 8.240 nan 0.000 0.444 28 T N 0.691 115.247 114.554 0.003 0.000 2.777 28 T HA 0.314 4.658 4.350 -0.009 0.000 0.266 28 T C 2.292 176.994 174.700 0.004 0.000 1.040 28 T CA 2.747 64.849 62.100 0.003 0.000 1.141 28 T CB -0.798 68.072 68.868 0.003 0.000 0.868 28 T HN 0.724 nan 8.240 nan 0.000 0.444 29 I N 0.859 121.432 120.570 0.004 0.000 3.578 29 I HA 0.521 4.685 4.170 -0.009 0.000 0.295 29 I C 2.711 178.831 176.117 0.005 0.000 1.280 29 I CA 1.500 62.803 61.300 0.004 0.000 1.347 29 I CB -2.047 35.956 38.000 0.004 0.000 1.051 29 I HN 0.685 nan 8.210 nan 0.000 0.460 30 Q N 0.657 120.460 119.800 0.005 0.000 2.124 30 Q HA -0.201 4.134 4.340 -0.009 0.000 0.202 30 Q C 2.557 178.561 176.000 0.008 0.000 0.977 30 Q CA 2.514 58.321 55.803 0.006 0.000 0.850 30 Q CB -1.250 27.491 28.738 0.007 0.000 0.901 30 Q HN 0.931 nan 8.270 nan 0.000 0.429 31 R N 0.121 120.626 120.500 0.007 0.000 2.189 31 R HA 0.146 4.480 4.340 -0.009 0.000 0.218 31 R C 2.591 178.895 176.300 0.008 0.000 1.074 31 R CA 2.139 58.244 56.100 0.008 0.000 0.991 31 R CB -1.827 28.477 30.300 0.007 0.000 0.883 31 R HN 0.853 nan 8.270 nan 0.000 0.457 32 T N -0.652 113.906 114.554 0.006 0.000 2.951 32 T HA 0.343 4.687 4.350 -0.009 0.000 0.268 32 T C 2.174 176.878 174.700 0.006 0.000 1.073 32 T CA 1.961 64.064 62.100 0.006 0.000 1.134 32 T CB -0.164 68.707 68.868 0.005 0.000 0.884 32 T HN 0.678 nan 8.240 nan 0.000 0.479 33 V N -0.414 119.504 119.914 0.007 0.000 3.644 33 V HA 0.513 4.627 4.120 -0.009 0.000 0.267 33 V C 2.459 178.559 176.094 0.010 0.000 1.277 33 V CA 1.353 63.658 62.300 0.008 0.000 1.096 33 V CB -0.880 30.947 31.823 0.007 0.000 0.828 33 V HN 0.610 nan 8.190 nan 0.000 0.446 34 Q N -0.729 119.078 119.800 0.012 0.000 2.062 34 Q HA -0.063 4.271 4.340 -0.009 0.000 0.196 34 Q C 2.103 178.114 176.000 0.018 0.000 0.967 34 Q CA 2.445 58.257 55.803 0.015 0.000 0.832 34 Q CB -0.876 27.871 28.738 0.015 0.000 0.899 34 Q HN 1.056 nan 8.270 nan 0.000 0.442 35 Q N -0.022 119.787 119.800 0.015 0.000 2.245 35 Q HA 0.095 4.429 4.340 -0.009 0.000 0.201 35 Q C 2.383 178.390 176.000 0.012 0.000 0.955 35 Q CA 2.395 58.207 55.803 0.015 0.000 0.870 35 Q CB -0.982 27.763 28.738 0.012 0.000 0.945 35 Q HN 0.908 nan 8.270 nan 0.000 0.461 36 K N -0.102 120.304 120.400 0.011 0.000 2.076 36 K HA 0.415 4.729 4.320 -0.009 0.000 0.204 36 K C 2.544 179.150 176.600 0.011 0.000 1.051 36 K CA 1.658 57.950 56.287 0.009 0.000 0.949 36 K CB -1.559 30.945 32.500 0.007 0.000 0.726 36 K HN 1.088 nan 8.250 nan 0.000 0.443 37 L N 1.012 122.242 121.223 0.012 0.000 2.141 37 L HA 0.148 4.482 4.340 -0.009 0.000 0.209 37 L C 2.730 179.611 176.870 0.017 0.000 1.094 37 L CA 2.818 57.665 54.840 0.012 0.000 0.763 37 L CB -2.021 40.045 42.059 0.012 0.000 0.908 37 L HN 0.730 nan 8.230 nan 0.000 0.437 38 E N -0.513 119.701 120.200 0.022 0.000 2.072 38 E HA -0.119 4.226 4.350 -0.009 0.000 0.190 38 E C 2.227 178.836 176.600 0.015 0.000 0.982 38 E CA 2.244 58.661 56.400 0.028 0.000 0.803 38 E CB -1.040 28.682 29.700 0.037 0.000 0.755 38 E HN 1.019 nan 8.360 nan 0.000 0.453 39 Q N -0.467 119.340 119.800 0.011 0.000 2.230 39 Q HA 0.365 4.700 4.340 -0.009 0.000 0.202 39 Q C 2.697 178.710 176.000 0.022 0.000 0.963 39 Q CA 2.274 58.080 55.803 0.006 0.000 0.866 39 Q CB -1.300 27.439 28.738 0.002 0.000 0.931 39 Q HN 1.188 nan 8.270 nan 0.000 0.452 40 L N 0.456 121.692 121.223 0.022 0.000 2.007 40 L HA 0.231 4.565 4.340 -0.009 0.000 0.205 40 L C 1.943 178.839 176.870 0.042 0.000 1.073 40 L CA 2.093 56.948 54.840 0.026 0.000 0.744 40 L CB -2.290 39.777 42.059 0.013 0.000 0.898 40 L HN 0.913 nan 8.230 nan 0.000 0.435 48 N N -1.333 117.298 118.700 -0.116 0.000 2.348 48 N HA 0.269 5.003 4.740 -0.009 0.000 0.183 48 N C 1.732 177.289 175.510 0.078 0.000 1.094 48 N CA 1.418 54.470 53.050 0.003 0.000 0.885 48 N CB -0.508 37.973 38.487 -0.011 0.000 1.065 48 N HN 1.189 nan 8.380 nan 0.000 0.472 49 Y N -0.056 120.253 120.300 0.015 0.000 2.529 49 Y HA 0.583 5.127 4.550 -0.009 0.000 0.290 49 Y C 2.950 178.888 175.900 0.064 0.000 1.177 49 Y CA 1.091 59.213 58.100 0.037 0.000 1.305 49 Y CB -1.271 37.184 38.460 -0.007 0.000 1.047 49 Y HN 0.623 nan 8.280 nan 0.000 0.522 50 L N 0.557 121.807 121.223 0.045 0.000 1.973 50 L HA 0.048 4.383 4.340 -0.009 0.000 0.208 50 L C 2.851 179.751 176.870 0.050 0.000 1.073 50 L CA 2.698 57.554 54.840 0.028 0.000 0.746 50 L CB -1.836 40.218 42.059 -0.009 0.000 0.891 50 L HN 0.929 nan 8.230 nan 0.000 0.433 51 I N -1.038 119.568 120.570 0.060 0.000 2.657 51 I HA 0.173 4.337 4.170 -0.009 0.000 0.261 51 I C 2.468 178.612 176.117 0.045 0.000 1.212 51 I CA 2.383 63.683 61.300 0.001 0.000 1.453 51 I CB -2.247 35.685 38.000 -0.113 0.000 1.092 51 I HN 0.818 nan 8.210 nan 0.000 0.452 52 F N 0.063 120.140 119.950 0.213 0.000 2.314 52 F HA 0.614 5.135 4.527 -0.009 0.000 0.250 52 F C 1.871 177.744 175.800 0.121 0.000 1.278 52 F CA 0.572 58.734 58.000 0.271 0.000 1.035 52 F CB -0.785 38.399 39.000 0.306 0.000 1.205 52 F HN 0.644 nan 8.300 nan 0.000 0.590 53 V N 0.667 120.635 119.914 0.090 0.000 1.935 53 V HA 0.516 4.631 4.120 -0.009 0.000 0.262 53 V C 0.682 176.798 176.094 0.036 0.000 1.726 53 V CA 1.532 63.863 62.300 0.052 0.000 1.656 53 V CB -1.131 30.714 31.823 0.037 0.000 1.532 53 V HN 2.090 nan 8.190 nan 0.000 0.509 54 L N 0.374 121.618 121.223 0.034 0.000 2.598 54 L HA 0.609 4.943 4.340 -0.009 0.000 0.284 54 L C 1.876 178.756 176.870 0.017 0.000 1.073 54 L CA 1.849 56.702 54.840 0.022 0.000 1.361 54 L CB -0.517 41.553 42.059 0.019 0.000 2.544 54 L HN 0.636 nan 8.230 nan 0.000 0.561 55 T N -1.715 112.849 114.554 0.017 0.000 3.114 55 T HA 0.504 4.848 4.350 -0.009 0.000 0.240 55 T C 1.743 176.447 174.700 0.005 0.000 0.983 55 T CA 2.311 64.415 62.100 0.006 0.000 1.151 55 T CB 0.062 68.928 68.868 -0.003 0.000 0.974 55 T HN 1.102 nan 8.240 nan 0.000 0.442 56 K N 0.190 120.594 120.400 0.007 0.000 2.501 56 K HA 0.824 5.138 4.320 -0.009 0.000 0.204 56 K C 1.255 177.872 176.600 0.027 0.000 1.067 56 K CA 0.765 57.054 56.287 0.003 0.000 1.060 56 K CB -0.586 31.894 32.500 -0.032 0.000 0.873 56 K HN 0.925 nan 8.250 nan 0.000 0.540 57 L N -1.704 119.546 121.223 0.045 0.000 2.885 57 L HA 0.696 5.031 4.340 -0.009 0.000 0.251 57 L C 1.607 178.501 176.870 0.040 0.000 1.071 57 L CA 0.920 55.794 54.840 0.057 0.000 0.956 57 L CB -0.793 41.322 42.059 0.094 0.000 1.483 57 L HN 0.552 nan 8.230 nan 0.000 0.525 66 S N 0.824 116.529 115.700 0.008 0.000 2.582 66 S HA 0.261 4.726 4.470 -0.009 0.000 0.234 66 S C 1.554 176.158 174.600 0.007 0.000 0.961 66 S CA 0.618 58.822 58.200 0.008 0.000 0.953 66 S CB 0.662 63.866 63.200 0.007 0.000 0.800 66 S HN 0.587 nan 8.310 nan 0.000 0.471 67 L N 2.257 123.484 121.223 0.007 0.000 2.141 67 L HA 0.090 4.425 4.340 -0.009 0.000 0.209 67 L C 2.083 178.957 176.870 0.007 0.000 1.094 67 L CA 1.618 56.462 54.840 0.007 0.000 0.763 67 L CB -0.963 41.100 42.059 0.007 0.000 0.908 67 L HN 0.292 nan 8.230 nan 0.000 0.437 68 S N -0.073 115.631 115.700 0.006 0.000 2.399 68 S HA -0.071 4.393 4.470 -0.009 0.000 0.231 68 S C 1.823 176.425 174.600 0.003 0.000 1.022 68 S CA 0.975 59.177 58.200 0.004 0.000 0.983 68 S CB -0.925 62.278 63.200 0.005 0.000 0.803 68 S HN 0.675 nan 8.310 nan 0.000 0.480 69 G N 0.620 109.422 108.800 0.005 0.000 2.679 69 G HA2 0.178 4.132 3.960 -0.009 0.000 0.212 69 G HA3 0.178 4.132 3.960 -0.009 0.000 0.212 69 G C 1.160 176.062 174.900 0.005 0.000 1.137 69 G CA 0.932 46.034 45.100 0.003 0.000 0.787 69 G HN 0.557 nan 8.290 nan 0.000 0.534 70 L N -0.818 120.409 121.223 0.007 0.000 2.575 70 L HA 0.582 4.916 4.340 -0.009 0.000 0.228 70 L C 2.357 179.235 176.870 0.014 0.000 1.075 70 L CA 0.421 55.267 54.840 0.009 0.000 0.867 70 L CB -0.636 41.428 42.059 0.009 0.000 1.097 70 L HN 0.303 nan 8.230 nan 0.000 0.485 71 I N -0.634 119.944 120.570 0.013 0.000 3.603 71 I HA -0.004 4.160 4.170 -0.009 0.000 0.297 71 I C 2.314 178.441 176.117 0.016 0.000 1.269 71 I CA 0.439 61.750 61.300 0.018 0.000 1.361 71 I CB 0.276 38.285 38.000 0.016 0.000 1.063 71 I HN 0.449 nan 8.210 nan 0.000 0.448 72 L N 1.635 122.861 121.223 0.005 0.000 2.046 72 L HA -0.176 4.158 4.340 -0.009 0.000 0.208 72 L C 2.461 179.348 176.870 0.029 0.000 1.077 72 L CA 1.936 56.775 54.840 -0.002 0.000 0.747 72 L CB -0.618 41.437 42.059 -0.006 0.000 0.896 72 L HN 0.099 nan 8.230 nan 0.000 0.432 73 K N -0.187 120.232 120.400 0.032 0.000 2.097 73 K HA -0.205 4.109 4.320 -0.009 0.000 0.205 73 K C 1.881 178.511 176.600 0.050 0.000 1.050 73 K CA 1.864 58.176 56.287 0.041 0.000 0.938 73 K CB -0.443 32.071 32.500 0.024 0.000 0.718 73 K HN 0.580 nan 8.250 nan 0.000 0.442 74 N N 0.395 119.123 118.700 0.046 0.000 2.149 74 N HA -0.138 4.596 4.740 -0.009 0.000 0.188 74 N C 1.452 177.018 175.510 0.093 0.000 1.019 74 N CA 1.068 54.151 53.050 0.054 0.000 0.857 74 N CB 0.036 38.552 38.487 0.048 0.000 0.997 74 N HN 0.241 nan 8.380 nan 0.000 0.426 75 N N 0.329 119.098 118.700 0.116 0.000 2.106 75 N HA -0.090 4.644 4.740 -0.009 0.000 0.188 75 N C 1.720 177.368 175.510 0.229 0.000 1.029 75 N CA 0.671 53.843 53.050 0.203 0.000 0.848 75 N CB -0.652 37.913 38.487 0.129 0.000 1.007 75 N HN 0.022 nan 8.380 nan 0.000 0.423 76 V N 1.964 121.994 119.914 0.194 0.000 2.469 76 V HA -0.274 3.840 4.120 -0.009 0.000 0.251 76 V C 2.703 178.897 176.094 0.165 0.000 1.064 76 V CA 2.332 64.789 62.300 0.262 0.000 1.066 76 V CB -1.016 30.934 31.823 0.212 0.000 0.667 76 V HN 0.528 nan 8.190 nan 0.000 0.461 77 K N 0.109 120.556 120.400 0.079 0.000 1.985 77 K HA -0.071 4.244 4.320 -0.009 0.000 0.210 77 K C 2.196 178.784 176.600 -0.020 0.000 1.047 77 K CA 2.058 58.354 56.287 0.016 0.000 0.932 77 K CB -1.161 31.340 32.500 0.002 0.000 0.716 77 K HN 0.597 nan 8.250 nan 0.000 0.439 78 A N -0.141 122.618 122.820 -0.100 0.000 1.943 78 A HA 0.103 4.417 4.320 -0.009 0.000 0.213 78 A C 1.144 178.471 177.584 -0.427 0.000 1.181 78 A CA 0.737 52.568 52.037 -0.344 0.000 0.653 78 A CB 0.079 18.732 19.000 -0.580 0.000 0.833 78 A HN 0.682 nan 8.150 nan 0.000 0.451 79 H N -1.751 117.411 119.070 0.153 0.000 2.386 79 H HA 0.246 4.797 4.556 -0.009 0.000 0.232 79 H C 0.101 175.573 175.328 0.240 0.000 1.416 79 H CA -0.625 55.523 56.048 0.167 0.000 1.285 79 H CB -0.080 29.781 29.762 0.165 0.000 1.625 79 H HN 0.484 nan 8.280 nan 0.000 0.521 80 F N 1.575 121.613 119.950 0.147 0.000 2.234 80 F HA -0.068 4.453 4.527 -0.009 0.000 0.296 80 F C 1.468 177.347 175.800 0.133 0.000 1.089 80 F CA 0.794 58.875 58.000 0.135 0.000 1.343 80 F CB 0.742 39.789 39.000 0.077 0.000 1.040 80 F HN 0.178 nan 8.300 nan 0.000 0.498 81 Q N 0.841 120.631 119.800 -0.016 0.000 2.735 81 Q HA 0.182 4.517 4.340 -0.009 0.000 0.380 81 Q C -0.514 175.418 176.000 -0.114 0.000 1.060 81 Q CA 0.091 55.806 55.803 -0.145 0.000 1.025 81 Q CB -0.471 28.256 28.738 -0.018 0.000 1.350 81 Q HN 0.342 nan 8.270 nan 0.000 0.424 82 N N -1.782 116.830 118.700 -0.146 0.000 2.325 82 N HA 0.200 4.934 4.740 -0.009 0.000 0.220 82 N C -0.180 175.037 175.510 -0.489 0.000 1.176 82 N CA 0.280 53.140 53.050 -0.317 0.000 0.861 82 N CB 0.517 38.759 38.487 -0.407 0.000 1.230 82 N HN 0.228 nan 8.380 nan 0.000 0.479 83 F N 0.636 120.511 119.950 -0.126 0.000 2.712 83 F HA 0.360 4.881 4.527 -0.009 0.000 0.297 83 F C -1.571 174.144 175.800 -0.142 0.000 1.114 83 F CA -0.426 57.508 58.000 -0.109 0.000 1.305 83 F CB -0.273 38.684 39.000 -0.072 0.000 1.086 83 F HN -0.171 nan 8.300 nan 0.000 0.599 84 P HA 0.207 nan 4.420 nan 0.000 0.266 84 P C -0.173 177.078 177.300 -0.083 0.000 1.419 84 P CA 0.744 63.760 63.100 -0.141 0.000 1.112 84 P CB 0.147 31.616 31.700 -0.386 0.000 1.438 85 N N 1.978 120.661 118.700 -0.028 0.000 3.189 85 N HA 0.212 4.947 4.740 -0.009 0.000 0.204 85 N C 1.578 177.081 175.510 -0.012 0.000 1.231 85 N CA 0.367 53.403 53.050 -0.023 0.000 1.130 85 N CB -0.680 37.799 38.487 -0.014 0.000 1.393 85 N HN 0.315 nan 8.380 nan 0.000 0.540 86 G N -0.096 108.706 108.800 0.003 0.000 3.233 86 G HA2 0.372 4.326 3.960 -0.009 0.000 0.234 86 G HA3 0.372 4.326 3.960 -0.009 0.000 0.234 86 G C 1.043 175.971 174.900 0.046 0.000 1.137 86 G CA 0.936 46.043 45.100 0.012 0.000 0.763 86 G HN 0.385 nan 8.290 nan 0.000 0.549 87 V N 0.766 120.712 119.914 0.053 0.000 2.407 87 V HA -0.111 4.003 4.120 -0.009 0.000 0.245 87 V C 2.986 179.141 176.094 0.102 0.000 1.041 87 V CA 2.295 64.656 62.300 0.102 0.000 1.040 87 V CB -0.622 31.247 31.823 0.077 0.000 0.671 87 V HN 0.321 nan 8.190 nan 0.000 0.455 88 T N -0.265 114.306 114.554 0.029 0.000 2.821 88 T HA -0.163 4.182 4.350 -0.009 0.000 0.267 88 T C 1.594 176.244 174.700 -0.085 0.000 1.046 88 T CA 1.517 63.603 62.100 -0.023 0.000 1.139 88 T CB -0.313 68.531 68.868 -0.040 0.000 0.871 88 T HN 0.523 nan 8.240 nan 0.000 0.454 89 D N 0.711 121.086 120.400 -0.042 0.000 2.117 89 D HA -0.055 4.579 4.640 -0.009 0.000 0.198 89 D C 1.836 178.137 176.300 0.001 0.000 0.982 89 D CA 0.876 54.842 54.000 -0.056 0.000 0.828 89 D CB -0.273 40.520 40.800 -0.013 0.000 0.967 89 D HN 0.405 nan 8.370 nan 0.000 0.464 90 F N 1.940 121.850 119.950 -0.066 0.000 2.146 90 F HA -0.064 4.458 4.527 -0.009 0.000 0.298 90 F C 2.120 177.899 175.800 -0.035 0.000 1.096 90 F CA 0.792 58.767 58.000 -0.042 0.000 1.275 90 F CB -0.373 38.608 39.000 -0.031 0.000 1.008 90 F HN -0.195 nan 8.300 nan 0.000 0.480 91 I N 1.186 121.536 120.570 -0.366 0.000 2.113 91 I HA -0.321 3.844 4.170 -0.009 0.000 0.238 91 I C 2.854 178.813 176.117 -0.263 0.000 1.070 91 I CA 2.060 63.115 61.300 -0.409 0.000 1.332 91 I CB -1.160 36.742 38.000 -0.163 0.000 1.044 91 I HN 0.235 nan 8.210 nan 0.000 0.402 92 K N 0.432 120.709 120.400 -0.205 0.000 2.044 92 K HA -0.204 4.110 4.320 -0.009 0.000 0.210 92 K C 2.099 178.689 176.600 -0.016 0.000 1.049 92 K CA 2.307 58.504 56.287 -0.151 0.000 0.927 92 K CB -1.435 30.680 32.500 -0.641 0.000 0.713 92 K HN 0.344 nan 8.250 nan 0.000 0.443 93 S N 0.056 115.710 115.700 -0.077 0.000 2.402 93 S HA -0.110 4.354 4.470 -0.009 0.000 0.229 93 S C 1.977 176.564 174.600 -0.023 0.000 1.021 93 S CA 1.167 59.361 58.200 -0.009 0.000 0.974 93 S CB -0.012 63.185 63.200 -0.005 0.000 0.800 93 S HN 0.705 nan 8.310 nan 0.000 0.484 94 E N -0.432 119.699 120.200 -0.116 0.000 2.400 94 E HA 0.001 4.346 4.350 -0.009 0.000 0.195 94 E C 1.810 178.355 176.600 -0.092 0.000 1.012 94 E CA 0.076 56.398 56.400 -0.129 0.000 0.875 94 E CB 0.033 29.564 29.700 -0.282 0.000 0.859 94 E HN 0.418 nan 8.360 nan 0.000 0.498 95 C N 0.296 119.555 119.300 -0.067 0.000 2.476 95 C HA 0.033 4.487 4.460 -0.009 0.000 0.278 95 C C 2.507 177.509 174.990 0.020 0.000 1.274 95 C CA 0.453 59.462 59.018 -0.015 0.000 1.713 95 C CB -0.812 26.952 27.740 0.039 0.000 2.039 95 C HN 0.421 nan 8.230 nan 0.000 0.484 96 L N 0.760 122.019 121.223 0.060 0.000 2.291 96 L HA -0.081 4.253 4.340 -0.009 0.000 0.214 96 L C 2.114 178.992 176.870 0.013 0.000 1.120 96 L CA 1.117 55.980 54.840 0.039 0.000 0.799 96 L CB -0.685 41.418 42.059 0.074 0.000 0.925 96 L HN 0.498 nan 8.230 nan 0.000 0.446 97 N N 0.510 119.216 118.700 0.010 0.000 2.025 97 N HA -0.165 4.569 4.740 -0.009 0.000 0.194 97 N C 0.507 176.015 175.510 -0.003 0.000 1.044 97 N CA 1.444 54.495 53.050 0.003 0.000 0.851 97 N CB -0.033 38.453 38.487 -0.002 0.000 1.036 97 N HN 0.452 nan 8.380 nan 0.000 0.422 98 N N 0.434 119.128 118.700 -0.009 0.000 2.839 98 N HA 0.160 4.895 4.740 -0.009 0.000 0.314 98 N C 0.745 176.245 175.510 -0.015 0.000 1.449 98 N CA -0.024 53.021 53.050 -0.009 0.000 1.050 98 N CB 0.279 38.761 38.487 -0.007 0.000 1.364 98 N HN 0.166 nan 8.380 nan 0.000 0.512 99 I N -0.423 120.135 120.570 -0.020 0.000 2.617 99 I HA 0.156 4.320 4.170 -0.009 0.000 0.256 99 I C 1.704 177.796 176.117 -0.042 0.000 1.167 99 I CA 1.368 62.649 61.300 -0.033 0.000 1.469 99 I CB -0.515 37.459 38.000 -0.044 0.000 1.098 99 I HN 0.415 nan 8.210 nan 0.000 0.436 100 G N 0.522 109.302 108.800 -0.033 0.000 4.804 100 G HA2 0.421 4.375 3.960 -0.009 0.000 0.310 100 G HA3 0.421 4.375 3.960 -0.009 0.000 0.310 100 G C -0.214 174.680 174.900 -0.009 0.000 1.389 100 G CA 0.098 45.178 45.100 -0.034 0.000 1.106 100 G HN 0.539 nan 8.290 nan 0.000 0.595 101 D N 0.251 120.647 120.400 -0.006 0.000 2.335 101 D HA 0.122 4.756 4.640 -0.009 0.000 0.236 101 D C 2.100 178.411 176.300 0.018 0.000 1.297 101 D CA 0.834 54.838 54.000 0.006 0.000 0.906 101 D CB 1.020 41.823 40.800 0.004 0.000 1.164 101 D HN 0.188 nan 8.370 nan 0.000 0.469 102 S N -0.311 115.403 115.700 0.023 0.000 2.387 102 S HA -0.013 4.451 4.470 -0.009 0.000 0.221 102 S C 1.128 175.748 174.600 0.032 0.000 1.041 102 S CA 0.075 58.295 58.200 0.033 0.000 0.959 102 S CB -0.231 62.987 63.200 0.031 0.000 0.843 102 S HN 0.344 nan 8.310 nan 0.000 0.488 103 S N 3.290 119.004 115.700 0.024 0.000 2.516 103 S HA 0.282 4.747 4.470 -0.009 0.000 0.282 103 S C -1.711 172.902 174.600 0.022 0.000 1.286 103 S CA -1.408 56.805 58.200 0.022 0.000 1.066 103 S CB 0.765 63.975 63.200 0.017 0.000 0.884 103 S HN 0.110 nan 8.310 nan 0.000 0.491 104 P HA -0.085 nan 4.420 nan 0.000 0.215 104 P C 1.523 178.833 177.300 0.017 0.000 1.157 104 P CA 0.924 64.039 63.100 0.025 0.000 0.868 104 P CB 0.068 31.785 31.700 0.028 0.000 0.788 105 L N -1.476 119.755 121.223 0.014 0.000 2.083 105 L HA -0.145 4.189 4.340 -0.009 0.000 0.209 105 L C 2.327 179.201 176.870 0.007 0.000 1.083 105 L CA 1.313 56.159 54.840 0.010 0.000 0.752 105 L CB -0.441 41.624 42.059 0.010 0.000 0.899 105 L HN -0.071 nan 8.230 nan 0.000 0.433 106 I N -0.471 120.103 120.570 0.008 0.000 2.277 106 I HA -0.245 3.919 4.170 -0.009 0.000 0.243 106 I C 2.657 178.774 176.117 0.000 0.000 1.094 106 I CA 0.904 62.207 61.300 0.004 0.000 1.393 106 I CB -0.268 37.736 38.000 0.006 0.000 1.078 106 I HN 0.296 nan 8.210 nan 0.000 0.417 107 R N 1.651 122.151 120.500 0.001 0.000 2.152 107 R HA -0.050 4.284 4.340 -0.009 0.000 0.232 107 R C 2.005 178.298 176.300 -0.012 0.000 1.117 107 R CA 1.393 57.488 56.100 -0.007 0.000 0.981 107 R CB -0.549 29.748 30.300 -0.006 0.000 0.870 107 R HN 0.286 nan 8.270 nan 0.000 0.451 108 A N 0.955 123.772 122.820 -0.005 0.000 2.030 108 A HA 0.056 4.370 4.320 -0.009 0.000 0.215 108 A C 1.965 179.545 177.584 -0.006 0.000 1.164 108 A CA 0.905 52.938 52.037 -0.006 0.000 0.697 108 A CB -0.224 18.777 19.000 0.001 0.000 0.827 108 A HN 0.336 nan 8.150 nan 0.000 0.457 109 T N -0.330 114.222 114.554 -0.003 0.000 2.904 109 T HA -0.069 4.275 4.350 -0.009 0.000 0.267 109 T C 1.807 176.504 174.700 -0.005 0.000 1.059 109 T CA 1.429 63.528 62.100 -0.002 0.000 1.137 109 T CB -0.200 68.668 68.868 0.001 0.000 0.879 109 T HN 0.118 nan 8.240 nan 0.000 0.467 110 V N 1.532 121.441 119.914 -0.008 0.000 2.358 110 V HA -0.056 4.059 4.120 -0.009 0.000 0.246 110 V C 2.854 178.940 176.094 -0.014 0.000 1.047 110 V CA 1.903 64.196 62.300 -0.011 0.000 1.035 110 V CB -1.293 30.521 31.823 -0.015 0.000 0.658 110 V HN 0.576 nan 8.190 nan 0.000 0.452 111 G N -0.390 108.397 108.800 -0.022 0.000 2.459 111 G HA2 -0.289 3.665 3.960 -0.009 0.000 0.217 111 G HA3 -0.289 3.665 3.960 -0.009 0.000 0.217 111 G C 1.647 176.531 174.900 -0.027 0.000 1.183 111 G CA 1.138 46.218 45.100 -0.032 0.000 0.776 111 G HN 0.494 nan 8.290 nan 0.000 0.552 112 I N -0.224 120.336 120.570 -0.017 0.000 2.676 112 I HA 0.043 4.208 4.170 -0.009 0.000 0.259 112 I C 2.363 178.476 176.117 -0.006 0.000 1.194 112 I CA 0.337 61.629 61.300 -0.013 0.000 1.473 112 I CB 0.142 38.137 38.000 -0.008 0.000 1.096 112 I HN 0.174 nan 8.210 nan 0.000 0.443 113 L N 0.292 121.516 121.223 0.001 0.000 2.179 113 L HA -0.091 4.243 4.340 -0.009 0.000 0.208 113 L C 2.166 179.055 176.870 0.033 0.000 1.096 113 L CA 1.254 56.103 54.840 0.015 0.000 0.779 113 L CB -0.251 41.816 42.059 0.013 0.000 0.922 113 L HN 0.124 nan 8.230 nan 0.000 0.443 114 I N -0.615 119.969 120.570 0.022 0.000 2.226 114 I HA -0.271 3.894 4.170 -0.009 0.000 0.245 114 I C 2.192 178.317 176.117 0.012 0.000 1.100 114 I CA 1.732 63.051 61.300 0.032 0.000 1.374 114 I CB -1.471 36.515 38.000 -0.024 0.000 1.057 114 I HN 0.314 nan 8.210 nan 0.000 0.413 115 T N 0.219 114.763 114.554 -0.017 0.000 2.732 115 T HA -0.102 4.243 4.350 -0.009 0.000 0.261 115 T C 1.825 176.510 174.700 -0.026 0.000 1.040 115 T CA 1.843 63.922 62.100 -0.033 0.000 1.145 115 T CB -0.567 68.277 68.868 -0.040 0.000 0.866 115 T HN 0.326 nan 8.240 nan 0.000 0.427 116 T N 2.550 117.091 114.554 -0.022 0.000 2.881 116 T HA 0.001 4.345 4.350 -0.009 0.000 0.270 116 T C 1.790 176.443 174.700 -0.077 0.000 1.068 116 T CA 0.603 62.677 62.100 -0.042 0.000 1.131 116 T CB -0.253 68.600 68.868 -0.025 0.000 0.871 116 T HN 0.191 nan 8.240 nan 0.000 0.479 117 I N 1.295 121.856 120.570 -0.015 0.000 2.439 117 I HA 0.054 4.219 4.170 -0.009 0.000 0.251 117 I C 2.692 178.833 176.117 0.040 0.000 1.139 117 I CA 0.625 61.926 61.300 0.002 0.000 1.438 117 I CB -1.334 36.766 38.000 0.168 0.000 1.085 117 I HN 0.224 nan 8.210 nan 0.000 0.427 118 A N 0.079 122.939 122.820 0.068 0.000 1.984 118 A HA 0.079 4.394 4.320 -0.009 0.000 0.214 118 A C 2.537 180.103 177.584 -0.030 0.000 1.173 118 A CA 1.370 53.440 52.037 0.054 0.000 0.673 118 A CB -0.590 18.390 19.000 -0.034 0.000 0.830 118 A HN 0.426 nan 8.150 nan 0.000 0.453 119 S N -0.150 115.509 115.700 -0.068 0.000 2.387 119 S HA 0.127 4.591 4.470 -0.009 0.000 0.226 119 S C 1.922 176.451 174.600 -0.118 0.000 1.026 119 S CA 1.851 60.005 58.200 -0.077 0.000 0.972 119 S CB -0.376 62.784 63.200 -0.067 0.000 0.814 119 S HN 0.680 nan 8.310 nan 0.000 0.477 120 K N 0.933 121.199 120.400 -0.224 0.000 2.410 120 K HA 0.569 4.883 4.320 -0.009 0.000 0.200 120 K C 1.327 177.614 176.600 -0.521 0.000 1.023 120 K CA 0.556 56.630 56.287 -0.355 0.000 1.149 120 K CB -0.308 31.914 32.500 -0.462 0.000 0.859 120 K HN 0.514 nan 8.250 nan 0.000 0.514 121 G N -1.522 107.101 108.800 -0.295 0.000 2.945 121 G HA2 0.345 4.299 3.960 -0.009 0.000 0.225 121 G HA3 0.345 4.299 3.960 -0.009 0.000 0.225 121 G C 0.819 175.739 174.900 0.033 0.000 1.046 121 G CA 1.248 46.279 45.100 -0.114 0.000 0.842 121 G HN 0.981 nan 8.290 nan 0.000 0.543 122 E N -1.669 118.535 120.200 0.007 0.000 2.604 122 E HA 0.059 4.404 4.350 -0.009 0.000 0.255 122 E C 2.065 178.702 176.600 0.062 0.000 1.164 122 E CA 2.010 58.427 56.400 0.029 0.000 0.737 122 E CB -2.707 27.009 29.700 0.027 0.000 1.317 122 E HN 2.368 nan 8.360 nan 0.000 0.417 123 L N -3.157 118.129 121.223 0.105 0.000 4.988 123 L HA -0.324 4.010 4.340 -0.009 0.000 0.439 123 L C 2.198 179.159 176.870 0.152 0.000 1.080 123 L CA 3.466 58.390 54.840 0.140 0.000 1.018 123 L CB -2.959 39.138 42.059 0.063 0.000 1.945 123 L HN 1.387 nan 8.230 nan 0.000 0.782 124 Q N 0.237 120.115 119.800 0.129 0.000 2.049 124 Q HA -0.027 4.307 4.340 -0.009 0.000 0.198 124 Q C 1.626 177.700 176.000 0.124 0.000 0.971 124 Q CA 2.015 57.883 55.803 0.110 0.000 0.833 124 Q CB -0.100 28.692 28.738 0.089 0.000 0.896 124 Q HN 0.897 nan 8.270 nan 0.000 0.434 125 N N -0.680 118.104 118.700 0.141 0.000 2.455 125 N HA 0.054 4.789 4.740 -0.009 0.000 0.258 125 N C -1.329 174.253 175.510 0.120 0.000 1.158 125 N CA -0.066 53.047 53.050 0.104 0.000 0.893 125 N CB -0.001 38.543 38.487 0.095 0.000 1.173 125 N HN 0.315 nan 8.380 nan 0.000 0.503 126 W N 0.603 121.926 121.300 0.038 0.000 1.409 126 W HA 0.261 4.916 4.660 -0.009 0.000 0.317 126 W C -2.334 174.192 176.519 0.013 0.000 0.947 126 W CA -1.050 56.308 57.345 0.022 0.000 1.333 126 W CB 1.122 30.588 29.460 0.011 0.000 1.459 126 W HN 0.123 nan 8.180 nan 0.000 0.409 127 P HA -0.077 nan 4.420 nan 0.000 0.219 127 P C 1.199 178.602 177.300 0.171 0.000 1.154 127 P CA 1.395 64.620 63.100 0.208 0.000 0.826 127 P CB 0.421 32.209 31.700 0.147 0.000 0.795 128 D N -0.439 120.146 120.400 0.307 0.000 2.219 128 D HA -0.095 4.540 4.640 -0.009 0.000 0.205 128 D C 1.864 178.124 176.300 -0.067 0.000 0.970 128 D CA 0.734 54.851 54.000 0.195 0.000 0.851 128 D CB -0.293 40.727 40.800 0.368 0.000 0.943 128 D HN 0.053 nan 8.370 nan 0.000 0.488 129 L N 0.960 121.909 121.223 -0.457 0.000 2.083 129 L HA -0.137 4.197 4.340 -0.009 0.000 0.209 129 L C 2.245 178.846 176.870 -0.448 0.000 1.083 129 L CA 1.240 55.535 54.840 -0.908 0.000 0.752 129 L CB -0.458 40.495 42.059 -1.842 0.000 0.899 129 L HN -0.028 nan 8.230 nan 0.000 0.433 130 L N -0.317 120.735 121.223 -0.287 0.000 1.994 130 L HA -0.124 4.210 4.340 -0.009 0.000 0.208 130 L C -0.335 176.455 176.870 -0.134 0.000 1.071 130 L CA 1.214 55.951 54.840 -0.172 0.000 0.745 130 L CB -1.931 40.068 42.059 -0.099 0.000 0.892 130 L HN 0.291 nan 8.230 nan 0.000 0.431 131 P HA -0.020 nan 4.420 nan 0.000 0.255 131 P C 0.945 178.189 177.300 -0.094 0.000 1.248 131 P CA 0.640 63.686 63.100 -0.090 0.000 0.807 131 P CB 0.273 31.938 31.700 -0.058 0.000 1.150 132 K N 0.101 120.429 120.400 -0.119 0.000 2.202 132 K HA 0.161 4.475 4.320 -0.009 0.000 0.201 132 K C 1.825 178.349 176.600 -0.128 0.000 1.051 132 K CA 0.643 56.867 56.287 -0.105 0.000 0.977 132 K CB -0.924 31.522 32.500 -0.089 0.000 0.792 132 K HN -0.024 nan 8.250 nan 0.000 0.469 133 L N 1.002 122.122 121.223 -0.172 0.000 2.083 133 L HA -0.208 4.127 4.340 -0.009 0.000 0.209 133 L C 2.498 179.264 176.870 -0.174 0.000 1.083 133 L CA 1.436 56.170 54.840 -0.176 0.000 0.752 133 L CB -0.608 41.333 42.059 -0.197 0.000 0.899 133 L HN 0.464 nan 8.230 nan 0.000 0.433 134 C N -3.041 116.161 119.300 -0.164 0.000 2.432 134 C HA -0.011 4.443 4.460 -0.009 0.000 0.282 134 C C 2.848 177.756 174.990 -0.136 0.000 1.388 134 C CA 0.229 59.141 59.018 -0.177 0.000 1.777 134 C CB -0.929 26.709 27.740 -0.170 0.000 1.882 134 C HN 0.363 nan 8.230 nan 0.000 0.520 135 S N 1.630 117.266 115.700 -0.106 0.000 2.387 135 S HA 0.073 4.537 4.470 -0.009 0.000 0.226 135 S C 1.713 176.274 174.600 -0.065 0.000 1.026 135 S CA 1.353 59.511 58.200 -0.071 0.000 0.972 135 S CB -0.357 62.810 63.200 -0.055 0.000 0.814 135 S HN 0.722 nan 8.310 nan 0.000 0.477 136 L N 1.345 122.515 121.223 -0.088 0.000 2.456 136 L HA 0.032 4.366 4.340 -0.009 0.000 0.224 136 L C 1.596 178.402 176.870 -0.105 0.000 1.148 136 L CA 0.539 55.328 54.840 -0.085 0.000 0.825 136 L CB -0.579 41.422 42.059 -0.097 0.000 0.937 136 L HN 0.302 nan 8.230 nan 0.000 0.450 137 L N -0.672 120.462 121.223 -0.148 0.000 2.478 137 L HA -0.071 4.263 4.340 -0.009 0.000 0.223 137 L C 1.247 178.135 176.870 0.029 0.000 1.140 137 L CA 0.626 55.349 54.840 -0.195 0.000 0.842 137 L CB -0.303 41.522 42.059 -0.391 0.000 0.953 137 L HN 0.299 nan 8.230 nan 0.000 0.452 138 D N -0.915 119.512 120.400 0.045 0.000 2.369 138 D HA 0.013 4.647 4.640 -0.009 0.000 0.211 138 D C 1.029 177.375 176.300 0.077 0.000 1.077 138 D CA 0.177 54.236 54.000 0.098 0.000 0.842 138 D CB 0.563 41.395 40.800 0.053 0.000 0.947 138 D HN 0.041 nan 8.370 nan 0.000 0.509 139 S N 0.562 116.290 115.700 0.048 0.000 2.560 139 S HA 0.161 4.626 4.470 -0.009 0.000 0.284 139 S C 1.347 175.999 174.600 0.087 0.000 1.327 139 S CA 0.441 58.670 58.200 0.049 0.000 1.055 139 S CB 1.287 64.500 63.200 0.021 0.000 0.868 139 S HN 0.314 nan 8.310 nan 0.000 0.506 140 E N 2.427 122.678 120.200 0.085 0.000 2.358 140 E HA -0.004 4.341 4.350 -0.009 0.000 0.195 140 E C 0.532 177.207 176.600 0.123 0.000 1.010 140 E CA 0.723 57.188 56.400 0.108 0.000 0.856 140 E CB -0.247 29.503 29.700 0.084 0.000 0.795 140 E HN 0.830 nan 8.360 nan 0.000 0.504 141 D N -1.220 119.240 120.400 0.099 0.000 2.343 141 D HA 0.080 4.715 4.640 -0.009 0.000 0.255 141 D C 0.450 176.833 176.300 0.138 0.000 1.187 141 D CA -0.399 53.666 54.000 0.109 0.000 0.875 141 D CB 0.548 41.388 40.800 0.066 0.000 1.136 141 D HN 0.301 nan 8.370 nan 0.000 0.469 142 Y N 5.704 126.045 120.300 0.067 0.000 2.089 142 Y HA -0.252 4.293 4.550 -0.010 0.000 0.282 142 Y C 1.611 177.543 175.900 0.053 0.000 1.139 142 Y CA 1.762 59.909 58.100 0.078 0.000 1.123 142 Y CB -0.266 38.249 38.460 0.091 0.000 0.980 142 Y HN 0.419 nan 8.280 nan 0.000 0.493 143 N N -0.456 118.233 118.700 -0.019 0.000 2.258 143 N HA -0.168 4.566 4.740 -0.009 0.000 0.187 143 N C 1.640 177.066 175.510 -0.140 0.000 1.012 143 N CA 1.961 54.941 53.050 -0.117 0.000 0.870 143 N CB -0.653 37.851 38.487 0.028 0.000 0.977 143 N HN 0.463 nan 8.380 nan 0.000 0.434 144 T N -0.849 113.653 114.554 -0.087 0.000 2.812 144 T HA -0.098 4.246 4.350 -0.009 0.000 0.264 144 T C 2.173 176.797 174.700 -0.127 0.000 1.042 144 T CA 0.880 62.932 62.100 -0.080 0.000 1.140 144 T CB -0.703 68.145 68.868 -0.035 0.000 0.870 144 T HN 0.411 nan 8.240 nan 0.000 0.445 145 C N 1.693 120.905 119.300 -0.147 0.000 2.462 145 C HA -0.010 4.444 4.460 -0.009 0.000 0.278 145 C C 2.792 177.660 174.990 -0.203 0.000 1.253 145 C CA 0.880 59.799 59.018 -0.165 0.000 1.713 145 C CB -0.873 26.803 27.740 -0.106 0.000 2.049 145 C HN 0.488 nan 8.230 nan 0.000 0.477 146 E N 0.486 120.467 120.200 -0.364 0.000 2.058 146 E HA -0.123 4.221 4.350 -0.009 0.000 0.194 146 E C 2.264 178.727 176.600 -0.229 0.000 0.997 146 E CA 1.903 58.104 56.400 -0.331 0.000 0.801 146 E CB -0.824 28.496 29.700 -0.634 0.000 0.746 146 E HN 0.723 nan 8.360 nan 0.000 0.450 147 G N 0.496 109.169 108.800 -0.213 0.000 2.432 147 G HA2 -0.206 3.748 3.960 -0.009 0.000 0.219 147 G HA3 -0.206 3.748 3.960 -0.009 0.000 0.219 147 G C 1.664 176.473 174.900 -0.152 0.000 1.135 147 G CA 1.276 46.285 45.100 -0.152 0.000 0.767 147 G HN 0.427 nan 8.290 nan 0.000 0.550 148 A N -0.173 122.552 122.820 -0.157 0.000 1.930 148 A HA 0.305 4.619 4.320 -0.009 0.000 0.215 148 A C 2.143 179.624 177.584 -0.172 0.000 1.176 148 A CA 0.712 52.651 52.037 -0.165 0.000 0.632 148 A CB -0.387 18.508 19.000 -0.176 0.000 0.819 148 A HN 0.351 nan 8.150 nan 0.000 0.445 149 F N 0.457 120.202 119.950 -0.341 0.000 2.186 149 F HA -0.040 4.482 4.527 -0.009 0.000 0.299 149 F C 2.391 177.786 175.800 -0.674 0.000 1.090 149 F CA 0.727 58.467 58.000 -0.433 0.000 1.307 149 F CB 0.070 38.797 39.000 -0.456 0.000 1.019 149 F HN 0.356 nan 8.300 nan 0.000 0.489 150 G N -0.911 107.558 108.800 -0.550 0.000 2.484 150 G HA2 -0.082 3.873 3.960 -0.009 0.000 0.218 150 G HA3 -0.082 3.873 3.960 -0.009 0.000 0.218 150 G C 1.565 176.320 174.900 -0.240 0.000 1.130 150 G CA 0.660 45.402 45.100 -0.598 0.000 0.784 150 G HN 0.448 nan 8.290 nan 0.000 0.543 151 A N 0.263 122.975 122.820 -0.180 0.000 1.887 151 A HA 0.311 4.625 4.320 -0.009 0.000 0.212 151 A C 2.179 179.700 177.584 -0.106 0.000 1.198 151 A CA 0.878 52.840 52.037 -0.124 0.000 0.628 151 A CB -0.347 18.579 19.000 -0.123 0.000 0.847 151 A HN 0.293 nan 8.150 nan 0.000 0.449 152 L N -0.002 121.161 121.223 -0.100 0.000 2.131 152 L HA -0.180 4.154 4.340 -0.009 0.000 0.210 152 L C 2.532 179.395 176.870 -0.012 0.000 1.092 152 L CA 2.203 57.014 54.840 -0.048 0.000 0.759 152 L CB -0.400 41.635 42.059 -0.039 0.000 0.903 152 L HN 0.603 nan 8.230 nan 0.000 0.435 153 Q N -0.418 119.365 119.800 -0.028 0.000 2.046 153 Q HA -0.281 4.054 4.340 -0.009 0.000 0.200 153 Q C 2.142 178.117 176.000 -0.042 0.000 0.975 153 Q CA 1.748 57.532 55.803 -0.032 0.000 0.836 153 Q CB -0.063 28.670 28.738 -0.009 0.000 0.896 153 Q HN 0.325 nan 8.270 nan 0.000 0.428 154 K N 0.556 120.925 120.400 -0.052 0.000 2.360 154 K HA -0.081 4.233 4.320 -0.009 0.000 0.201 154 K C 1.642 178.211 176.600 -0.051 0.000 1.046 154 K CA 0.859 57.118 56.287 -0.047 0.000 0.940 154 K CB -0.213 32.257 32.500 -0.050 0.000 0.748 154 K HN 0.328 nan 8.250 nan 0.000 0.465 155 I N -0.623 119.917 120.570 -0.050 0.000 2.206 155 I HA -0.301 3.863 4.170 -0.009 0.000 0.239 155 I C 1.971 178.064 176.117 -0.041 0.000 1.078 155 I CA 0.808 62.081 61.300 -0.045 0.000 1.367 155 I CB -0.308 37.667 38.000 -0.042 0.000 1.078 155 I HN 0.185 nan 8.210 nan 0.000 0.413 156 C N 0.955 120.232 119.300 -0.038 0.000 2.403 156 C HA -0.182 4.273 4.460 -0.009 0.000 0.279 156 C C 2.473 177.383 174.990 -0.134 0.000 1.269 156 C CA 1.085 60.045 59.018 -0.097 0.000 1.774 156 C CB -1.304 26.357 27.740 -0.133 0.000 1.993 156 C HN 0.504 nan 8.230 nan 0.000 0.496 157 E N 0.122 120.265 120.200 -0.096 0.000 2.371 157 E HA -0.085 4.260 4.350 -0.009 0.000 0.194 157 E C 0.925 177.484 176.600 -0.068 0.000 1.012 157 E CA 0.639 56.988 56.400 -0.085 0.000 0.860 157 E CB -0.092 29.570 29.700 -0.063 0.000 0.811 157 E HN 0.653 nan 8.360 nan 0.000 0.502 158 D N -0.265 120.100 120.400 -0.060 0.000 2.367 158 D HA 0.009 4.644 4.640 -0.009 0.000 0.207 158 D C 1.671 177.944 176.300 -0.046 0.000 1.034 158 D CA 0.308 54.279 54.000 -0.049 0.000 0.861 158 D CB 0.253 41.027 40.800 -0.044 0.000 0.943 158 D HN -0.088 nan 8.370 nan 0.000 0.515 159 S N -0.010 115.658 115.700 -0.054 0.000 2.395 159 S HA 0.001 4.465 4.470 -0.009 0.000 0.225 159 S C 1.948 176.516 174.600 -0.054 0.000 1.027 159 S CA 1.095 59.269 58.200 -0.044 0.000 0.965 159 S CB 0.109 63.287 63.200 -0.037 0.000 0.812 159 S HN 0.242 nan 8.310 nan 0.000 0.482 160 A N 0.923 123.693 122.820 -0.082 0.000 1.898 160 A HA 0.282 4.597 4.320 -0.009 0.000 0.214 160 A C 1.295 178.845 177.584 -0.056 0.000 1.183 160 A CA 1.340 53.330 52.037 -0.079 0.000 0.622 160 A CB -1.081 17.853 19.000 -0.111 0.000 0.824 160 A HN 0.670 nan 8.150 nan 0.000 0.444 172 L N 1.114 122.346 121.223 0.014 0.000 2.291 172 L HA 0.069 4.403 4.340 -0.009 0.000 0.214 172 L C 2.157 178.935 176.870 -0.154 0.000 1.120 172 L CA 2.869 57.720 54.840 0.018 0.000 0.799 172 L CB -2.146 40.034 42.059 0.202 0.000 0.925 172 L HN 0.568 nan 8.230 nan 0.000 0.446 173 N N -0.219 118.345 118.700 -0.227 0.000 2.396 173 N HA -0.228 4.507 4.740 -0.009 0.000 0.191 173 N C 1.650 176.952 175.510 -0.347 0.000 1.015 173 N CA 1.365 54.157 53.050 -0.430 0.000 0.893 173 N CB -0.037 38.324 38.487 -0.210 0.000 0.956 173 N HN 0.553 nan 8.380 nan 0.000 0.445 174 I N 0.978 121.400 120.570 -0.247 0.000 2.716 174 I HA -0.072 4.092 4.170 -0.009 0.000 0.259 174 I C 1.803 177.751 176.117 -0.281 0.000 1.172 174 I CA 0.645 61.818 61.300 -0.212 0.000 1.478 174 I CB -0.549 37.358 38.000 -0.154 0.000 1.104 174 I HN 0.256 nan 8.210 nan 0.000 0.439 175 M N -0.595 118.769 119.600 -0.393 0.000 2.595 175 M HA 0.034 4.509 4.480 -0.009 0.000 0.248 175 M C 2.211 178.037 176.300 -0.790 0.000 1.119 175 M CA 0.593 55.480 55.300 -0.688 0.000 1.079 175 M CB -0.479 31.529 32.600 -0.987 0.000 1.472 175 M HN 0.125 nan 8.290 nan 0.000 0.501 176 I N 1.474 121.814 120.570 -0.383 0.000 2.113 176 I HA -0.281 3.883 4.170 -0.009 0.000 0.242 176 I C -0.482 175.549 176.117 -0.144 0.000 1.064 176 I CA 2.035 63.261 61.300 -0.123 0.000 1.320 176 I CB -1.862 36.047 38.000 -0.152 0.000 1.028 176 I HN 0.182 nan 8.210 nan 0.000 0.406 177 P HA -0.158 nan 4.420 nan 0.000 0.217 177 P C 1.638 178.795 177.300 -0.239 0.000 1.150 177 P CA 2.093 65.021 63.100 -0.287 0.000 0.832 177 P CB -0.085 31.426 31.700 -0.315 0.000 0.787 178 K N -0.353 119.879 120.400 -0.279 0.000 2.103 178 K HA -0.171 4.143 4.320 -0.009 0.000 0.207 178 K C 1.973 178.590 176.600 0.027 0.000 1.048 178 K CA 1.834 57.984 56.287 -0.227 0.000 0.930 178 K CB -2.118 30.183 32.500 -0.332 0.000 0.716 178 K HN 0.194 nan 8.250 nan 0.000 0.444 179 F N 0.375 120.435 119.950 0.184 0.000 2.084 179 F HA -0.001 4.521 4.527 -0.009 0.000 0.296 179 F C 2.322 178.269 175.800 0.246 0.000 1.111 179 F CA 0.643 58.889 58.000 0.411 0.000 1.224 179 F CB -0.321 38.880 39.000 0.334 0.000 0.991 179 F HN -0.020 nan 8.300 nan 0.000 0.471 180 L N 0.064 121.330 121.223 0.072 0.000 2.197 180 L HA -0.318 4.016 4.340 -0.009 0.000 0.215 180 L C 2.379 179.154 176.870 -0.158 0.000 1.095 180 L CA 1.417 56.038 54.840 -0.366 0.000 0.764 180 L CB -0.633 41.217 42.059 -0.349 0.000 0.897 180 L HN 0.284 nan 8.230 nan 0.000 0.436 181 Q N -1.129 118.641 119.800 -0.051 0.000 2.123 181 Q HA -0.142 4.193 4.340 -0.009 0.000 0.199 181 Q C 1.996 178.013 176.000 0.029 0.000 0.966 181 Q CA 1.375 57.117 55.803 -0.101 0.000 0.845 181 Q CB -0.067 28.493 28.738 -0.297 0.000 0.907 181 Q HN 0.465 nan 8.270 nan 0.000 0.439 182 F N -0.901 119.257 119.950 0.346 0.000 2.699 182 F HA -0.059 4.462 4.527 -0.010 0.000 0.298 182 F C 1.244 177.320 175.800 0.460 0.000 1.154 182 F CA 0.410 58.663 58.000 0.423 0.000 1.457 182 F CB -0.049 39.271 39.000 0.533 0.000 1.106 182 F HN 0.079 nan 8.300 nan 0.000 0.585 183 F N 0.642 120.773 119.950 0.301 0.000 2.408 183 F HA -0.212 4.310 4.527 -0.009 0.000 0.300 183 F C 2.321 178.214 175.800 0.155 0.000 1.090 183 F CA 0.929 59.048 58.000 0.199 0.000 1.427 183 F CB -0.256 38.845 39.000 0.168 0.000 1.070 183 F HN 0.015 nan 8.300 nan 0.000 0.549 184 K N -0.539 120.065 120.400 0.339 0.000 2.355 184 K HA 0.045 4.359 4.320 -0.009 0.000 0.198 184 K C 0.445 177.165 176.600 0.201 0.000 1.039 184 K CA -0.106 56.304 56.287 0.206 0.000 1.075 184 K CB -0.889 31.692 32.500 0.136 0.000 0.870 184 K HN 0.304 nan 8.250 nan 0.000 0.540 185 H N 0.924 120.117 119.070 0.205 0.000 2.836 185 H HA 0.019 4.570 4.556 -0.010 0.000 0.368 185 H C 1.558 176.972 175.328 0.144 0.000 1.164 185 H CA 1.062 57.242 56.048 0.219 0.000 1.425 185 H CB 1.550 31.544 29.762 0.387 0.000 1.414 185 H HN 0.353 nan 8.280 nan 0.000 0.614 186 S N 2.265 117.654 115.700 -0.519 0.000 2.355 186 S HA -0.082 4.383 4.470 -0.009 0.000 0.222 186 S C 0.929 175.500 174.600 -0.050 0.000 1.031 186 S CA 0.417 58.461 58.200 -0.259 0.000 0.993 186 S CB -0.272 62.748 63.200 -0.300 0.000 0.859 186 S HN 0.453 nan 8.310 nan 0.000 0.453 187 S N 4.196 119.970 115.700 0.123 0.000 2.546 187 S HA 0.208 4.672 4.470 -0.009 0.000 0.290 187 S C -1.660 173.050 174.600 0.184 0.000 1.262 187 S CA -0.822 57.526 58.200 0.248 0.000 1.083 187 S CB 1.047 64.550 63.200 0.505 0.000 0.859 187 S HN 0.372 nan 8.310 nan 0.000 0.495 188 P HA -0.017 nan 4.420 nan 0.000 0.221 188 P C 1.267 178.535 177.300 -0.054 0.000 1.150 188 P CA 0.581 63.679 63.100 -0.003 0.000 0.800 188 P CB 0.253 31.939 31.700 -0.023 0.000 0.787 189 K N -0.029 120.364 120.400 -0.011 0.000 2.097 189 K HA -0.076 4.238 4.320 -0.009 0.000 0.206 189 K C 1.931 178.390 176.600 -0.234 0.000 1.049 189 K CA 1.212 57.446 56.287 -0.089 0.000 0.933 189 K CB -0.980 31.567 32.500 0.079 0.000 0.717 189 K HN 0.040 nan 8.250 nan 0.000 0.442 190 I N -0.019 120.526 120.570 -0.041 0.000 2.110 190 I HA -0.261 3.903 4.170 -0.009 0.000 0.236 190 I C 2.244 178.171 176.117 -0.315 0.000 1.068 190 I CA 1.174 62.377 61.300 -0.162 0.000 1.333 190 I CB -0.184 37.775 38.000 -0.069 0.000 1.054 190 I HN 0.116 nan 8.210 nan 0.000 0.402 191 R N 0.611 121.042 120.500 -0.116 0.000 2.174 191 R HA -0.244 4.090 4.340 -0.009 0.000 0.253 191 R C 2.495 178.614 176.300 -0.302 0.000 1.165 191 R CA 1.894 57.904 56.100 -0.151 0.000 0.984 191 R CB -0.518 29.728 30.300 -0.090 0.000 0.873 191 R HN 0.554 nan 8.270 nan 0.000 0.456 192 S N 0.144 115.630 115.700 -0.357 0.000 2.348 192 S HA -0.207 4.258 4.470 -0.009 0.000 0.221 192 S C 1.802 176.161 174.600 -0.401 0.000 1.033 192 S CA 1.175 59.143 58.200 -0.387 0.000 1.010 192 S CB -0.479 62.458 63.200 -0.438 0.000 0.891 192 S HN 0.384 nan 8.310 nan 0.000 0.442 193 H N 2.273 121.099 119.070 -0.408 0.000 2.319 193 H HA 0.046 4.596 4.556 -0.009 0.000 0.299 193 H C 2.747 177.761 175.328 -0.523 0.000 1.092 193 H CA 1.521 57.247 56.048 -0.536 0.000 1.302 193 H CB -1.254 27.958 29.762 -0.916 0.000 1.373 193 H HN 0.626 nan 8.280 nan 0.000 0.497 194 A N 0.852 123.395 122.820 -0.461 0.000 1.948 194 A HA -0.134 4.180 4.320 -0.009 0.000 0.220 194 A C 2.792 180.544 177.584 0.280 0.000 1.177 194 A CA 2.127 54.191 52.037 0.046 0.000 0.636 194 A CB -0.763 18.451 19.000 0.357 0.000 0.815 194 A HN 0.259 nan 8.150 nan 0.000 0.449 195 V N -0.905 118.982 119.914 -0.045 0.000 2.788 195 V HA -0.015 4.099 4.120 -0.009 0.000 0.251 195 V C 2.831 178.976 176.094 0.085 0.000 1.068 195 V CA 1.294 63.619 62.300 0.042 0.000 1.090 195 V CB -1.022 30.649 31.823 -0.253 0.000 0.710 195 V HN 0.570 nan 8.190 nan 0.000 0.467 196 A N -0.562 122.239 122.820 -0.032 0.000 1.930 196 A HA -0.194 4.120 4.320 -0.009 0.000 0.217 196 A C 2.337 179.897 177.584 -0.040 0.000 1.175 196 A CA 2.045 54.061 52.037 -0.034 0.000 0.627 196 A CB -0.954 18.013 19.000 -0.055 0.000 0.815 196 A HN 0.570 nan 8.150 nan 0.000 0.443 197 C N -1.278 117.968 119.300 -0.090 0.000 2.462 197 C HA -0.048 4.406 4.460 -0.009 0.000 0.278 197 C C 2.684 177.705 174.990 0.052 0.000 1.253 197 C CA 1.021 59.948 59.018 -0.151 0.000 1.713 197 C CB -1.169 26.183 27.740 -0.648 0.000 2.049 197 C HN 0.445 nan 8.230 nan 0.000 0.477 198 V N 2.011 122.010 119.914 0.142 0.000 2.594 198 V HA -0.176 3.938 4.120 -0.009 0.000 0.253 198 V C 1.994 178.178 176.094 0.149 0.000 1.069 198 V CA 1.905 64.353 62.300 0.247 0.000 1.082 198 V CB -0.844 31.078 31.823 0.166 0.000 0.680 198 V HN 0.517 nan 8.190 nan 0.000 0.469 199 N N 0.193 118.974 118.700 0.134 0.000 2.309 199 N HA -0.131 4.603 4.740 -0.009 0.000 0.182 199 N C 1.844 177.343 175.510 -0.018 0.000 1.018 199 N CA 0.842 53.959 53.050 0.112 0.000 0.876 199 N CB -0.241 38.313 38.487 0.111 0.000 0.972 199 N HN 0.492 nan 8.380 nan 0.000 0.434 200 Q N -0.874 118.816 119.800 -0.184 0.000 2.369 200 Q HA 0.024 4.359 4.340 -0.009 0.000 0.206 200 Q C 0.524 176.209 176.000 -0.524 0.000 0.963 200 Q CA 0.698 56.249 55.803 -0.419 0.000 0.894 200 Q CB -0.091 28.249 28.738 -0.664 0.000 0.965 200 Q HN 0.504 nan 8.270 nan 0.000 0.475 201 F N -0.692 119.256 119.950 -0.003 0.000 2.641 201 F HA 0.231 4.753 4.527 -0.009 0.000 0.302 201 F C 1.637 177.424 175.800 -0.021 0.000 1.098 201 F CA -0.245 57.748 58.000 -0.012 0.000 1.318 201 F CB 0.080 39.072 39.000 -0.014 0.000 1.035 201 F HN -0.072 nan 8.300 nan 0.000 0.551 202 I N 0.454 121.080 120.570 0.093 0.000 2.296 202 I HA -0.206 3.958 4.170 -0.009 0.000 0.242 202 I C 2.391 178.550 176.117 0.070 0.000 1.087 202 I CA 1.114 62.470 61.300 0.093 0.000 1.393 202 I CB -0.382 37.695 38.000 0.128 0.000 1.093 202 I HN 0.115 nan 8.210 nan 0.000 0.421 203 I N -0.071 120.523 120.570 0.039 0.000 2.286 203 I HA -0.234 3.930 4.170 -0.009 0.000 0.248 203 I C 2.732 178.868 176.117 0.031 0.000 1.115 203 I CA 1.798 63.112 61.300 0.023 0.000 1.392 203 I CB -0.896 37.102 38.000 -0.003 0.000 1.065 203 I HN 0.237 nan 8.210 nan 0.000 0.418 204 S N 1.261 116.989 115.700 0.047 0.000 2.382 204 S HA -0.206 4.259 4.470 -0.009 0.000 0.228 204 S C 1.694 176.335 174.600 0.068 0.000 1.027 204 S CA 1.227 59.469 58.200 0.070 0.000 0.991 204 S CB -0.495 62.786 63.200 0.134 0.000 0.823 204 S HN 0.638 nan 8.310 nan 0.000 0.469 205 R N 0.873 121.418 120.500 0.075 0.000 3.936 205 R HA -0.125 4.209 4.340 -0.009 0.000 0.366 205 R C -0.336 175.988 176.300 0.040 0.000 1.158 205 R CA 0.844 56.976 56.100 0.053 0.000 0.969 205 R CB -2.672 27.650 30.300 0.037 0.000 1.504 205 R HN 0.806 nan 8.270 nan 0.000 0.538 206 T N -2.145 112.443 114.554 0.056 0.000 2.940 206 T HA 0.002 4.346 4.350 -0.009 0.000 0.309 206 T C 1.182 175.869 174.700 -0.021 0.000 1.056 206 T CA -0.099 62.012 62.100 0.019 0.000 1.137 206 T CB 1.276 70.155 68.868 0.018 0.000 0.976 206 T HN 0.296 nan 8.240 nan 0.000 0.547 207 Q N 1.544 121.319 119.800 -0.042 0.000 2.181 207 Q HA -0.157 4.177 4.340 -0.009 0.000 0.205 207 Q C 2.662 178.597 176.000 -0.107 0.000 0.980 207 Q CA 1.448 57.209 55.803 -0.069 0.000 0.862 207 Q CB -0.523 28.172 28.738 -0.071 0.000 0.905 207 Q HN 0.968 nan 8.270 nan 0.000 0.429 208 A N 0.717 123.475 122.820 -0.104 0.000 1.940 208 A HA -0.182 4.133 4.320 -0.009 0.000 0.219 208 A C 2.366 179.922 177.584 -0.046 0.000 1.176 208 A CA 1.912 53.892 52.037 -0.095 0.000 0.631 208 A CB -1.135 17.789 19.000 -0.127 0.000 0.814 208 A HN 0.386 nan 8.150 nan 0.000 0.446 209 L N -2.549 118.634 121.223 -0.067 0.000 2.127 209 L HA 0.137 4.471 4.340 -0.009 0.000 0.203 209 L C 2.570 179.425 176.870 -0.025 0.000 1.080 209 L CA 1.948 56.754 54.840 -0.057 0.000 0.768 209 L CB -1.294 40.717 42.059 -0.080 0.000 0.924 209 L HN 0.423 nan 8.230 nan 0.000 0.444 210 M N -0.768 118.810 119.600 -0.037 0.000 2.296 210 M HA 0.015 4.489 4.480 -0.009 0.000 0.265 210 M C 2.188 178.454 176.300 -0.056 0.000 1.064 210 M CA 1.332 56.618 55.300 -0.022 0.000 1.109 210 M CB -0.760 31.828 32.600 -0.019 0.000 1.396 210 M HN 0.499 nan 8.290 nan 0.000 0.430 211 L N -1.161 119.973 121.223 -0.147 0.000 2.162 211 L HA -0.108 4.226 4.340 -0.009 0.000 0.205 211 L C 1.270 177.995 176.870 -0.241 0.000 1.086 211 L CA 0.642 55.343 54.840 -0.233 0.000 0.778 211 L CB -0.406 41.436 42.059 -0.361 0.000 0.928 211 L HN 0.297 nan 8.230 nan 0.000 0.446 212 H N -0.346 118.707 119.070 -0.028 0.000 2.727 212 H HA 0.089 4.639 4.556 -0.009 0.000 0.312 212 H C 1.337 176.680 175.328 0.025 0.000 1.204 212 H CA -0.060 55.975 56.048 -0.020 0.000 1.122 212 H CB 0.239 29.970 29.762 -0.051 0.000 1.453 212 H HN 0.224 nan 8.280 nan 0.000 0.514 213 I N 1.062 121.696 120.570 0.107 0.000 2.141 213 I HA -0.205 3.959 4.170 -0.009 0.000 0.236 213 I C 1.717 177.911 176.117 0.128 0.000 1.071 213 I CA 1.430 62.812 61.300 0.136 0.000 1.345 213 I CB 0.050 38.104 38.000 0.089 0.000 1.066 213 I HN 0.156 nan 8.210 nan 0.000 0.406 214 D N -0.356 120.080 120.400 0.060 0.000 2.263 214 D HA -0.186 4.448 4.640 -0.009 0.000 0.208 214 D C 2.217 178.507 176.300 -0.016 0.000 0.971 214 D CA 1.426 55.426 54.000 0.000 0.000 0.867 214 D CB -0.202 40.596 40.800 -0.005 0.000 0.929 214 D HN 0.441 nan 8.370 nan 0.000 0.492 215 S N 0.361 116.088 115.700 0.045 0.000 2.355 215 S HA -0.178 4.286 4.470 -0.009 0.000 0.222 215 S C 1.843 176.482 174.600 0.065 0.000 1.031 215 S CA 0.418 58.639 58.200 0.036 0.000 0.993 215 S CB -0.391 62.840 63.200 0.051 0.000 0.859 215 S HN 0.167 nan 8.310 nan 0.000 0.453 216 F N 2.082 122.002 119.950 -0.049 0.000 2.134 216 F HA 0.074 4.595 4.527 -0.009 0.000 0.299 216 F C 1.840 177.654 175.800 0.022 0.000 1.097 216 F CA 0.988 58.970 58.000 -0.030 0.000 1.264 216 F CB -0.663 38.349 39.000 0.020 0.000 1.001 216 F HN 0.244 nan 8.300 nan 0.000 0.479 217 I N 0.226 120.708 120.570 -0.146 0.000 2.113 217 I HA -0.314 3.851 4.170 -0.009 0.000 0.238 217 I C 2.409 178.278 176.117 -0.413 0.000 1.070 217 I CA 1.860 62.951 61.300 -0.348 0.000 1.332 217 I CB -0.590 37.188 38.000 -0.370 0.000 1.044 217 I HN 0.128 nan 8.210 nan 0.000 0.402 218 E N 0.573 120.551 120.200 -0.371 0.000 2.160 218 E HA -0.230 4.114 4.350 -0.009 0.000 0.195 218 E C 1.781 178.343 176.600 -0.065 0.000 0.991 218 E CA 1.032 57.256 56.400 -0.293 0.000 0.810 218 E CB -0.141 29.449 29.700 -0.183 0.000 0.742 218 E HN 0.441 nan 8.360 nan 0.000 0.466 219 N N 0.372 119.077 118.700 0.009 0.000 2.331 219 N HA -0.064 4.670 4.740 -0.009 0.000 0.180 219 N C 1.790 177.451 175.510 0.252 0.000 1.019 219 N CA 0.561 53.725 53.050 0.191 0.000 0.881 219 N CB 0.023 38.665 38.487 0.257 0.000 0.972 219 N HN 0.175 nan 8.380 nan 0.000 0.435 220 L N -0.597 120.682 121.223 0.093 0.000 2.007 220 L HA -0.064 4.270 4.340 -0.009 0.000 0.205 220 L C 1.842 178.740 176.870 0.047 0.000 1.073 220 L CA 0.813 55.662 54.840 0.015 0.000 0.744 220 L CB -0.514 41.464 42.059 -0.134 0.000 0.898 220 L HN -0.030 nan 8.230 nan 0.000 0.435 221 F N 0.702 120.509 119.950 -0.237 0.000 2.085 221 F HA -0.336 4.186 4.527 -0.009 0.000 0.299 221 F C 2.632 178.317 175.800 -0.191 0.000 1.096 221 F CA 1.453 59.294 58.000 -0.264 0.000 1.227 221 F CB -1.223 37.630 39.000 -0.245 0.000 0.983 221 F HN 0.077 nan 8.300 nan 0.000 0.482 222 A N -1.103 121.775 122.820 0.097 0.000 2.015 222 A HA -0.082 4.232 4.320 -0.009 0.000 0.219 222 A C 2.002 179.590 177.584 0.007 0.000 1.163 222 A CA 1.131 53.196 52.037 0.046 0.000 0.646 222 A CB -0.736 18.303 19.000 0.066 0.000 0.806 222 A HN 0.312 nan 8.150 nan 0.000 0.448 223 L N -0.862 120.355 121.223 -0.009 0.000 2.567 223 L HA 0.368 4.702 4.340 -0.009 0.000 0.225 223 L C 1.358 178.174 176.870 -0.090 0.000 1.119 223 L CA 0.428 55.235 54.840 -0.055 0.000 0.871 223 L CB -0.518 41.477 42.059 -0.107 0.000 1.036 223 L HN 0.283 nan 8.230 nan 0.000 0.459 224 A N 0.172 122.903 122.820 -0.148 0.000 2.515 224 A HA 0.450 4.764 4.320 -0.009 0.000 0.263 224 A C 1.100 178.654 177.584 -0.049 0.000 1.096 224 A CA 0.457 52.355 52.037 -0.231 0.000 0.769 224 A CB -1.191 17.392 19.000 -0.694 0.000 1.040 224 A HN 0.711 nan 8.150 nan 0.000 0.505 225 G N 3.215 112.064 108.800 0.083 0.000 2.636 225 G HA2 0.057 4.012 3.960 -0.009 0.000 0.261 225 G HA3 0.057 4.012 3.960 -0.009 0.000 0.261 225 G C -0.592 174.318 174.900 0.016 0.000 1.018 225 G CA 0.322 45.473 45.100 0.085 0.000 1.308 225 G HN 1.548 nan 8.290 nan 0.000 0.514 226 D N -0.970 119.427 120.400 -0.006 0.000 2.497 226 D HA 0.603 5.237 4.640 -0.009 0.000 0.243 226 D C 1.080 177.366 176.300 -0.023 0.000 1.039 226 D CA -0.580 53.410 54.000 -0.018 0.000 1.052 226 D CB 0.869 41.653 40.800 -0.027 0.000 1.344 226 D HN 0.182 nan 8.370 nan 0.000 0.553 227 E N -0.856 119.329 120.200 -0.024 0.000 2.130 227 E HA -0.189 4.155 4.350 -0.009 0.000 0.196 227 E C 0.113 176.694 176.600 -0.033 0.000 0.998 227 E CA 1.085 57.469 56.400 -0.026 0.000 0.806 227 E CB -0.027 29.658 29.700 -0.024 0.000 0.738 227 E HN 0.479 nan 8.360 nan 0.000 0.459 228 E N 0.757 120.934 120.200 -0.038 0.000 2.257 228 E HA 0.012 4.356 4.350 -0.009 0.000 0.278 228 E C -2.012 174.557 176.600 -0.052 0.000 1.049 228 E CA -1.893 54.479 56.400 -0.047 0.000 0.876 228 E CB 1.062 30.727 29.700 -0.057 0.000 1.035 228 E HN -0.168 nan 8.360 nan 0.000 0.419 229 P HA -0.104 nan 4.420 nan 0.000 0.217 229 P C 0.789 178.055 177.300 -0.058 0.000 1.151 229 P CA 0.726 63.796 63.100 -0.049 0.000 0.828 229 P CB 0.299 31.972 31.700 -0.045 0.000 0.788 230 E N 0.098 120.256 120.200 -0.069 0.000 2.114 230 E HA -0.173 4.171 4.350 -0.009 0.000 0.199 230 E C 1.796 178.336 176.600 -0.101 0.000 1.008 230 E CA 1.354 57.702 56.400 -0.086 0.000 0.810 230 E CB -1.215 28.419 29.700 -0.110 0.000 0.739 230 E HN -0.055 nan 8.360 nan 0.000 0.456 231 V N 0.429 120.278 119.914 -0.108 0.000 2.270 231 V HA -0.239 3.875 4.120 -0.009 0.000 0.245 231 V C 2.427 178.470 176.094 -0.086 0.000 1.043 231 V CA 2.249 64.475 62.300 -0.123 0.000 1.014 231 V CB -0.513 31.233 31.823 -0.129 0.000 0.645 231 V HN 0.249 nan 8.190 nan 0.000 0.447 232 R N 0.085 120.553 120.500 -0.054 0.000 2.103 232 R HA -0.221 4.113 4.340 -0.009 0.000 0.242 232 R C 2.432 178.720 176.300 -0.021 0.000 1.142 232 R CA 1.812 57.902 56.100 -0.016 0.000 0.960 232 R CB -0.456 29.835 30.300 -0.015 0.000 0.858 232 R HN 0.477 nan 8.270 nan 0.000 0.439 233 K N 0.850 121.228 120.400 -0.037 0.000 1.987 233 K HA -0.211 4.103 4.320 -0.009 0.000 0.216 233 K C 1.693 178.282 176.600 -0.018 0.000 1.051 233 K CA 1.957 58.227 56.287 -0.029 0.000 0.942 233 K CB -0.144 32.335 32.500 -0.035 0.000 0.722 233 K HN 0.130 nan 8.250 nan 0.000 0.444 234 N N 0.574 119.254 118.700 -0.034 0.000 2.166 234 N HA -0.139 4.596 4.740 -0.009 0.000 0.186 234 N C 1.906 177.418 175.510 0.002 0.000 1.019 234 N CA 1.226 54.264 53.050 -0.020 0.000 0.856 234 N CB -0.469 37.987 38.487 -0.052 0.000 0.993 234 N HN 0.058 nan 8.380 nan 0.000 0.426 235 V N 0.797 120.696 119.914 -0.024 0.000 2.392 235 V HA -0.272 3.843 4.120 -0.009 0.000 0.249 235 V C 2.498 178.604 176.094 0.021 0.000 1.059 235 V CA 1.237 63.526 62.300 -0.019 0.000 1.051 235 V CB -0.670 31.129 31.823 -0.040 0.000 0.658 235 V HN 0.365 nan 8.190 nan 0.000 0.455 236 C N -0.041 119.278 119.300 0.031 0.000 2.476 236 C HA -0.080 4.374 4.460 -0.009 0.000 0.278 236 C C 2.881 177.904 174.990 0.056 0.000 1.274 236 C CA 0.766 59.805 59.018 0.035 0.000 1.713 236 C CB -1.014 26.725 27.740 -0.001 0.000 2.039 236 C HN 0.556 nan 8.230 nan 0.000 0.484 237 R N 1.800 122.332 120.500 0.053 0.000 2.073 237 R HA -0.097 4.237 4.340 -0.009 0.000 0.234 237 R C 2.392 178.748 176.300 0.094 0.000 1.134 237 R CA 1.651 57.791 56.100 0.066 0.000 0.952 237 R CB -0.763 29.567 30.300 0.050 0.000 0.850 237 R HN 0.500 nan 8.270 nan 0.000 0.433 238 A N 1.799 124.686 122.820 0.111 0.000 1.884 238 A HA -0.183 4.131 4.320 -0.009 0.000 0.219 238 A C 2.237 179.906 177.584 0.141 0.000 1.197 238 A CA 1.534 53.675 52.037 0.173 0.000 0.637 238 A CB -0.693 18.413 19.000 0.178 0.000 0.827 238 A HN 0.230 nan 8.150 nan 0.000 0.450 239 L N -0.691 120.592 121.223 0.100 0.000 2.291 239 L HA -0.104 4.231 4.340 -0.009 0.000 0.214 239 L C 2.353 179.334 176.870 0.184 0.000 1.120 239 L CA 0.453 55.370 54.840 0.128 0.000 0.799 239 L CB -0.161 41.956 42.059 0.097 0.000 0.925 239 L HN 0.266 nan 8.230 nan 0.000 0.446 240 V N -0.628 119.380 119.914 0.156 0.000 2.302 240 V HA -0.249 3.865 4.120 -0.009 0.000 0.243 240 V C 2.334 178.451 176.094 0.038 0.000 1.036 240 V CA 1.675 64.031 62.300 0.093 0.000 1.020 240 V CB -0.306 31.566 31.823 0.082 0.000 0.657 240 V HN 0.365 nan 8.190 nan 0.000 0.453 241 M N -0.502 119.138 119.600 0.068 0.000 2.202 241 M HA -0.162 4.312 4.480 -0.009 0.000 0.262 241 M C 2.112 178.458 176.300 0.076 0.000 1.063 241 M CA 1.804 57.141 55.300 0.062 0.000 1.097 241 M CB -0.519 32.129 32.600 0.081 0.000 1.382 241 M HN 0.248 nan 8.290 nan 0.000 0.413 242 L N -0.139 121.151 121.223 0.111 0.000 2.131 242 L HA -0.200 4.134 4.340 -0.009 0.000 0.210 242 L C 2.352 179.263 176.870 0.068 0.000 1.092 242 L CA 1.019 55.931 54.840 0.119 0.000 0.759 242 L CB -0.597 41.553 42.059 0.151 0.000 0.903 242 L HN 0.370 nan 8.230 nan 0.000 0.435 243 L N -0.512 120.727 121.223 0.027 0.000 2.131 243 L HA -0.194 4.140 4.340 -0.009 0.000 0.210 243 L C 2.635 179.488 176.870 -0.028 0.000 1.092 243 L CA 1.066 55.887 54.840 -0.031 0.000 0.759 243 L CB -0.311 41.657 42.059 -0.151 0.000 0.903 243 L HN 0.303 nan 8.230 nan 0.000 0.435 244 E N -0.911 119.278 120.200 -0.018 0.000 2.208 244 E HA -0.103 4.242 4.350 -0.009 0.000 0.193 244 E C 2.009 178.614 176.600 0.008 0.000 0.988 244 E CA 0.946 57.339 56.400 -0.013 0.000 0.828 244 E CB 0.355 30.048 29.700 -0.013 0.000 0.763 244 E HN 0.340 nan 8.360 nan 0.000 0.478 245 V N -0.412 119.518 119.914 0.028 0.000 2.948 245 V HA 0.108 4.222 4.120 -0.009 0.000 0.234 245 V C 1.063 177.185 176.094 0.047 0.000 1.205 245 V CA 0.226 62.550 62.300 0.039 0.000 1.234 245 V CB 0.437 32.293 31.823 0.055 0.000 1.020 245 V HN -0.075 nan 8.190 nan 0.000 0.491 246 R N 0.030 120.568 120.500 0.063 0.000 2.886 246 R HA 0.500 4.835 4.340 -0.009 0.000 0.306 246 R C 1.105 177.445 176.300 0.068 0.000 1.300 246 R CA 0.571 56.712 56.100 0.068 0.000 1.441 246 R CB 0.663 31.017 30.300 0.091 0.000 1.328 246 R HN 0.309 nan 8.270 nan 0.000 0.629 247 M N 0.225 119.856 119.600 0.051 0.000 2.108 247 M HA -0.185 4.289 4.480 -0.009 0.000 0.261 247 M C 1.602 177.940 176.300 0.065 0.000 1.066 247 M CA 2.700 58.030 55.300 0.051 0.000 1.107 247 M CB -1.289 31.328 32.600 0.029 0.000 1.356 247 M HN 0.645 nan 8.290 nan 0.000 0.406 248 D N -0.634 119.799 120.400 0.054 0.000 2.149 248 D HA -0.262 4.373 4.640 -0.009 0.000 0.194 248 D C 1.802 178.143 176.300 0.069 0.000 1.001 248 D CA 1.970 56.002 54.000 0.054 0.000 0.849 248 D CB -0.486 40.338 40.800 0.040 0.000 0.939 248 D HN 0.528 nan 8.370 nan 0.000 0.449 249 R N -0.491 120.056 120.500 0.078 0.000 2.189 249 R HA 0.231 4.566 4.340 -0.009 0.000 0.218 249 R C 1.942 178.327 176.300 0.143 0.000 1.074 249 R CA 0.578 56.732 56.100 0.090 0.000 0.991 249 R CB -0.245 30.102 30.300 0.080 0.000 0.883 249 R HN 0.373 nan 8.270 nan 0.000 0.457 250 L N -0.913 120.402 121.223 0.153 0.000 2.416 250 L HA 0.065 4.399 4.340 -0.009 0.000 0.216 250 L C 1.718 178.724 176.870 0.226 0.000 1.098 250 L CA -0.036 54.937 54.840 0.222 0.000 0.840 250 L CB -0.290 41.883 42.059 0.190 0.000 0.981 250 L HN 0.109 nan 8.230 nan 0.000 0.462 251 L N 1.430 122.743 121.223 0.150 0.000 2.043 251 L HA -0.155 4.179 4.340 -0.009 0.000 0.212 251 L C -0.349 176.587 176.870 0.110 0.000 1.075 251 L CA 2.256 57.172 54.840 0.126 0.000 0.752 251 L CB -1.255 40.856 42.059 0.086 0.000 0.891 251 L HN 0.139 nan 8.230 nan 0.000 0.432 252 P HA -0.126 nan 4.420 nan 0.000 0.220 252 P C 0.973 178.211 177.300 -0.104 0.000 1.148 252 P CA 1.455 64.502 63.100 -0.087 0.000 0.803 252 P CB -0.157 31.403 31.700 -0.233 0.000 0.782 253 H N -2.430 116.742 119.070 0.169 0.000 2.539 253 H HA 0.214 4.765 4.556 -0.010 0.000 0.269 253 H C 1.707 177.164 175.328 0.215 0.000 0.980 253 H CA 0.155 56.341 56.048 0.230 0.000 1.152 253 H CB -0.101 29.901 29.762 0.400 0.000 1.407 253 H HN 0.053 nan 8.280 nan 0.000 0.564 254 M N 0.611 120.396 119.600 0.308 0.000 2.151 254 M HA -0.246 4.229 4.480 -0.009 0.000 0.256 254 M C 1.955 178.400 176.300 0.243 0.000 1.072 254 M CA 1.897 57.364 55.300 0.279 0.000 1.090 254 M CB -0.751 32.022 32.600 0.288 0.000 1.294 254 M HN 0.346 nan 8.290 nan 0.000 0.415 255 H N -1.460 117.708 119.070 0.164 0.000 2.489 255 H HA -0.093 4.457 4.556 -0.009 0.000 0.293 255 H C 1.853 177.265 175.328 0.140 0.000 1.066 255 H CA 1.225 57.398 56.048 0.208 0.000 1.305 255 H CB -0.318 29.595 29.762 0.253 0.000 1.386 255 H HN 0.620 nan 8.280 nan 0.000 0.551 256 N N 1.038 119.870 118.700 0.220 0.000 2.336 256 N HA -0.057 4.677 4.740 -0.009 0.000 0.177 256 N C 1.905 177.409 175.510 -0.011 0.000 1.018 256 N CA 0.198 53.314 53.050 0.111 0.000 0.878 256 N CB 0.333 38.898 38.487 0.131 0.000 0.997 256 N HN 0.223 nan 8.380 nan 0.000 0.433 257 I N 0.902 121.454 120.570 -0.029 0.000 2.226 257 I HA -0.213 3.951 4.170 -0.009 0.000 0.245 257 I C 2.361 178.345 176.117 -0.221 0.000 1.100 257 I CA 0.669 61.878 61.300 -0.151 0.000 1.374 257 I CB -0.317 37.649 38.000 -0.057 0.000 1.057 257 I HN -0.073 nan 8.210 nan 0.000 0.413 258 V N 0.881 120.683 119.914 -0.186 0.000 2.255 258 V HA -0.350 3.765 4.120 -0.009 0.000 0.247 258 V C 2.554 178.548 176.094 -0.167 0.000 1.051 258 V CA 2.379 64.517 62.300 -0.269 0.000 1.018 258 V CB -0.628 30.936 31.823 -0.431 0.000 0.641 258 V HN 0.471 nan 8.190 nan 0.000 0.445 259 E N -1.122 119.032 120.200 -0.076 0.000 2.085 259 E HA -0.296 4.048 4.350 -0.009 0.000 0.194 259 E C 2.119 178.713 176.600 -0.011 0.000 0.994 259 E CA 1.932 58.338 56.400 0.010 0.000 0.801 259 E CB -0.286 29.460 29.700 0.077 0.000 0.743 259 E HN 0.731 nan 8.360 nan 0.000 0.453 260 Y N 0.111 120.307 120.300 -0.174 0.000 2.163 260 Y HA -0.197 4.348 4.550 -0.009 0.000 0.288 260 Y C 2.057 177.818 175.900 -0.232 0.000 1.136 260 Y CA 1.621 59.595 58.100 -0.209 0.000 1.147 260 Y CB -0.107 38.178 38.460 -0.291 0.000 0.987 260 Y HN 0.061 nan 8.280 nan 0.000 0.509 261 M N -0.172 119.197 119.600 -0.385 0.000 2.279 261 M HA -0.196 4.279 4.480 -0.009 0.000 0.264 261 M C 2.285 178.477 176.300 -0.180 0.000 1.062 261 M CA 1.278 56.220 55.300 -0.596 0.000 1.099 261 M CB -1.202 30.648 32.600 -1.250 0.000 1.394 261 M HN 0.484 nan 8.290 nan 0.000 0.426 262 L N 0.282 121.535 121.223 0.050 0.000 2.017 262 L HA -0.262 4.073 4.340 -0.009 0.000 0.208 262 L C 2.593 179.469 176.870 0.010 0.000 1.073 262 L CA 1.350 56.313 54.840 0.205 0.000 0.745 262 L CB -0.295 41.821 42.059 0.094 0.000 0.894 262 L HN 0.292 nan 8.230 nan 0.000 0.432 263 Q N -0.468 119.265 119.800 -0.113 0.000 2.226 263 Q HA -0.176 4.158 4.340 -0.009 0.000 0.204 263 Q C 2.201 178.079 176.000 -0.203 0.000 0.975 263 Q CA 1.062 56.771 55.803 -0.157 0.000 0.866 263 Q CB -0.449 28.180 28.738 -0.183 0.000 0.915 263 Q HN 0.354 nan 8.270 nan 0.000 0.440 264 R N 0.053 120.373 120.500 -0.300 0.000 2.148 264 R HA 0.034 4.369 4.340 -0.009 0.000 0.223 264 R C 2.041 178.266 176.300 -0.125 0.000 1.088 264 R CA 0.890 56.806 56.100 -0.306 0.000 0.985 264 R CB -0.879 29.131 30.300 -0.482 0.000 0.880 264 R HN 0.282 nan 8.270 nan 0.000 0.451 265 T N 1.308 115.856 114.554 -0.010 0.000 2.857 265 T HA -0.083 4.262 4.350 -0.009 0.000 0.266 265 T C 1.139 175.816 174.700 -0.039 0.000 1.048 265 T CA 0.962 63.086 62.100 0.040 0.000 1.139 265 T CB 0.006 68.953 68.868 0.132 0.000 0.874 265 T HN 0.352 nan 8.240 nan 0.000 0.455 266 Q N 1.364 121.125 119.800 -0.064 0.000 2.239 266 Q HA 0.140 4.474 4.340 -0.009 0.000 0.219 266 Q C -0.277 175.676 176.000 -0.079 0.000 0.901 266 Q CA -0.310 55.447 55.803 -0.076 0.000 0.949 266 Q CB 0.030 28.720 28.738 -0.080 0.000 1.038 266 Q HN 0.308 nan 8.270 nan 0.000 0.458 267 D N 0.682 121.033 120.400 -0.083 0.000 2.341 267 D HA -0.019 4.615 4.640 -0.009 0.000 0.245 267 D C 0.874 177.134 176.300 -0.067 0.000 1.106 267 D CA 0.252 54.202 54.000 -0.084 0.000 0.905 267 D CB 1.060 41.804 40.800 -0.094 0.000 1.202 267 D HN 0.088 nan 8.370 nan 0.000 0.426 268 Q N 0.943 120.706 119.800 -0.061 0.000 2.077 268 Q HA -0.154 4.180 4.340 -0.009 0.000 0.206 268 Q C 0.210 176.181 176.000 -0.048 0.000 0.989 268 Q CA 0.996 56.768 55.803 -0.051 0.000 0.853 268 Q CB -0.020 28.691 28.738 -0.045 0.000 0.907 268 Q HN 0.518 nan 8.270 nan 0.000 0.418 269 D N -0.479 119.892 120.400 -0.048 0.000 2.308 269 D HA 0.080 4.715 4.640 -0.009 0.000 0.251 269 D C 0.808 177.081 176.300 -0.045 0.000 1.127 269 D CA 0.646 54.620 54.000 -0.043 0.000 0.876 269 D CB 1.260 42.036 40.800 -0.041 0.000 1.176 269 D HN 0.263 nan 8.370 nan 0.000 0.446 270 E N 3.783 123.959 120.200 -0.041 0.000 2.107 270 E HA -0.197 4.147 4.350 -0.009 0.000 0.191 270 E C 1.492 178.072 176.600 -0.034 0.000 0.982 270 E CA 0.988 57.362 56.400 -0.043 0.000 0.809 270 E CB -0.657 29.016 29.700 -0.045 0.000 0.756 270 E HN 0.537 nan 8.360 nan 0.000 0.459 271 N N 0.775 119.459 118.700 -0.026 0.000 2.007 271 N HA -0.158 4.576 4.740 -0.009 0.000 0.197 271 N C 2.064 177.566 175.510 -0.015 0.000 1.050 271 N CA 2.070 55.112 53.050 -0.014 0.000 0.856 271 N CB -0.925 37.553 38.487 -0.015 0.000 1.050 271 N HN 0.312 nan 8.380 nan 0.000 0.423 272 V N 1.635 121.532 119.914 -0.029 0.000 2.324 272 V HA -0.256 3.858 4.120 -0.009 0.000 0.250 272 V C 2.433 178.504 176.094 -0.039 0.000 1.060 272 V CA 1.931 64.208 62.300 -0.038 0.000 1.042 272 V CB -1.126 30.664 31.823 -0.055 0.000 0.650 272 V HN 0.381 nan 8.190 nan 0.000 0.450 273 A N -0.066 122.730 122.820 -0.039 0.000 1.858 273 A HA -0.185 4.129 4.320 -0.009 0.000 0.216 273 A C 2.169 179.752 177.584 -0.001 0.000 1.190 273 A CA 2.099 54.117 52.037 -0.031 0.000 0.617 273 A CB -0.634 18.340 19.000 -0.044 0.000 0.827 273 A HN 0.457 nan 8.150 nan 0.000 0.443 274 L N -0.142 121.077 121.223 -0.007 0.000 2.017 274 L HA -0.141 4.193 4.340 -0.009 0.000 0.208 274 L C 2.085 178.998 176.870 0.071 0.000 1.073 274 L CA 2.410 57.257 54.840 0.012 0.000 0.745 274 L CB -0.803 41.251 42.059 -0.007 0.000 0.894 274 L HN 0.373 nan 8.230 nan 0.000 0.432 275 E N -0.042 120.192 120.200 0.056 0.000 2.204 275 E HA -0.168 4.176 4.350 -0.009 0.000 0.195 275 E C 2.118 178.751 176.600 0.055 0.000 0.990 275 E CA 1.194 57.633 56.400 0.065 0.000 0.821 275 E CB -0.267 29.455 29.700 0.036 0.000 0.750 275 E HN 0.674 nan 8.360 nan 0.000 0.477 276 A N 0.742 123.576 122.820 0.023 0.000 1.872 276 A HA -0.159 4.155 4.320 -0.009 0.000 0.214 276 A C 2.559 180.187 177.584 0.073 0.000 1.187 276 A CA 1.256 53.281 52.037 -0.020 0.000 0.614 276 A CB -1.126 17.834 19.000 -0.067 0.000 0.826 276 A HN 0.444 nan 8.150 nan 0.000 0.442 277 c N 0.285 118.995 118.600 0.183 0.000 2.401 277 c HA -0.170 4.394 4.570 -0.009 0.000 0.276 277 c C 2.446 176.728 174.090 0.319 0.000 1.233 277 c CA 1.710 58.240 56.329 0.336 0.000 1.753 277 c CB -1.397 41.226 42.510 0.188 0.000 2.029 277 c HN 0.641 nan 8.230 nan 0.000 0.478 278 E N -0.454 119.882 120.200 0.227 0.000 2.233 278 E HA -0.258 4.086 4.350 -0.009 0.000 0.199 278 E C 1.655 178.335 176.600 0.135 0.000 1.004 278 E CA 1.544 58.067 56.400 0.206 0.000 0.819 278 E CB -0.639 29.162 29.700 0.168 0.000 0.738 278 E HN 0.874 nan 8.360 nan 0.000 0.478 279 F N 0.613 120.503 119.950 -0.100 0.000 2.026 279 F HA -0.238 4.283 4.527 -0.010 0.000 0.296 279 F C 2.207 177.863 175.800 -0.240 0.000 1.133 279 F CA 1.703 59.522 58.000 -0.302 0.000 1.188 279 F CB -0.349 38.230 39.000 -0.702 0.000 0.968 279 F HN 0.065 nan 8.300 nan 0.000 0.476 280 W N -0.240 121.179 121.300 0.198 0.000 2.374 280 W HA -0.179 4.476 4.660 -0.008 0.000 0.288 280 W C 2.222 178.744 176.519 0.004 0.000 1.218 280 W CA 0.638 58.033 57.345 0.083 0.000 1.245 280 W CB -1.167 28.365 29.460 0.121 0.000 1.126 280 W HN 0.177 nan 8.180 nan 0.000 0.545 281 L N 0.826 122.184 121.223 0.225 0.000 1.994 281 L HA -0.201 4.133 4.340 -0.009 0.000 0.208 281 L C 2.357 179.244 176.870 0.027 0.000 1.071 281 L CA 2.515 57.439 54.840 0.139 0.000 0.745 281 L CB -1.296 40.867 42.059 0.173 0.000 0.892 281 L HN -0.183 nan 8.230 nan 0.000 0.431 282 T N -0.810 113.707 114.554 -0.062 0.000 2.904 282 T HA -0.135 4.209 4.350 -0.009 0.000 0.267 282 T C 1.791 176.374 174.700 -0.196 0.000 1.059 282 T CA 1.097 63.118 62.100 -0.131 0.000 1.137 282 T CB -0.411 68.359 68.868 -0.163 0.000 0.879 282 T HN 0.228 nan 8.240 nan 0.000 0.467 283 L N 2.006 123.037 121.223 -0.320 0.000 2.046 283 L HA 0.172 4.506 4.340 -0.009 0.000 0.208 283 L C 2.597 179.417 176.870 -0.085 0.000 1.077 283 L CA 1.739 56.402 54.840 -0.296 0.000 0.747 283 L CB -1.182 40.618 42.059 -0.432 0.000 0.896 283 L HN 0.236 nan 8.230 nan 0.000 0.432 284 A N -0.830 121.988 122.820 -0.002 0.000 2.070 284 A HA -0.128 4.186 4.320 -0.009 0.000 0.220 284 A C 1.936 179.525 177.584 0.008 0.000 1.159 284 A CA 1.378 53.444 52.037 0.048 0.000 0.656 284 A CB -0.522 18.538 19.000 0.099 0.000 0.800 284 A HN 0.579 nan 8.150 nan 0.000 0.453 285 E N 0.551 120.742 120.200 -0.016 0.000 2.418 285 E HA -0.053 4.291 4.350 -0.009 0.000 0.197 285 E C -0.090 176.493 176.600 -0.029 0.000 1.026 285 E CA 0.450 56.837 56.400 -0.022 0.000 0.862 285 E CB -0.092 29.591 29.700 -0.029 0.000 0.799 285 E HN 0.619 nan 8.360 nan 0.000 0.518 286 Q N 0.530 120.309 119.800 -0.036 0.000 2.290 286 Q HA 0.219 4.553 4.340 -0.009 0.000 0.259 286 Q C -1.934 174.054 176.000 -0.021 0.000 0.941 286 Q CA -2.415 53.369 55.803 -0.032 0.000 0.912 286 Q CB 1.104 29.815 28.738 -0.046 0.000 1.244 286 Q HN -0.152 nan 8.270 nan 0.000 0.441 287 P HA -0.151 nan 4.420 nan 0.000 0.221 287 P C 0.829 178.124 177.300 -0.008 0.000 1.141 287 P CA 1.190 64.279 63.100 -0.019 0.000 0.794 287 P CB 0.105 31.797 31.700 -0.013 0.000 0.764 288 I N -1.811 118.762 120.570 0.005 0.000 2.394 288 I HA -0.239 3.925 4.170 -0.009 0.000 0.251 288 I C 2.611 178.754 176.117 0.043 0.000 1.136 288 I CA 0.873 62.191 61.300 0.030 0.000 1.425 288 I CB -1.161 36.862 38.000 0.038 0.000 1.079 288 I HN 0.111 nan 8.210 nan 0.000 0.425 289 C N 2.192 121.509 119.300 0.029 0.000 2.429 289 C HA -0.206 4.248 4.460 -0.009 0.000 0.277 289 C C 3.348 178.376 174.990 0.063 0.000 1.262 289 C CA 2.055 61.114 59.018 0.068 0.000 1.733 289 C CB -1.117 26.659 27.740 0.060 0.000 2.010 289 C HN 0.535 nan 8.230 nan 0.000 0.483 290 K N 0.027 120.376 120.400 -0.085 0.000 2.127 290 K HA -0.245 4.070 4.320 -0.009 0.000 0.208 290 K C 1.563 178.118 176.600 -0.076 0.000 1.047 290 K CA 2.527 58.640 56.287 -0.290 0.000 0.927 290 K CB -0.870 31.482 32.500 -0.246 0.000 0.716 290 K HN 0.775 nan 8.250 nan 0.000 0.450 291 D N -0.760 119.674 120.400 0.055 0.000 2.338 291 D HA 0.034 4.668 4.640 -0.009 0.000 0.224 291 D C 2.108 178.526 176.300 0.196 0.000 0.967 291 D CA 1.038 55.115 54.000 0.128 0.000 0.896 291 D CB 0.007 40.863 40.800 0.093 0.000 1.028 291 D HN 0.181 nan 8.370 nan 0.000 0.493 292 V N 1.767 121.794 119.914 0.188 0.000 2.255 292 V HA -0.205 3.909 4.120 -0.009 0.000 0.247 292 V C 2.661 178.872 176.094 0.195 0.000 1.051 292 V CA 1.293 63.703 62.300 0.184 0.000 1.018 292 V CB -0.486 31.415 31.823 0.130 0.000 0.641 292 V HN 0.164 nan 8.190 nan 0.000 0.445 293 L N -0.545 120.840 121.223 0.271 0.000 2.217 293 L HA -0.109 4.225 4.340 -0.009 0.000 0.211 293 L C 2.409 179.372 176.870 0.156 0.000 1.107 293 L CA 0.524 55.535 54.840 0.285 0.000 0.783 293 L CB -0.469 41.761 42.059 0.284 0.000 0.919 293 L HN 0.210 nan 8.230 nan 0.000 0.442 294 V N 1.134 121.164 119.914 0.193 0.000 2.233 294 V HA -0.443 3.671 4.120 -0.009 0.000 0.256 294 V C 2.625 178.686 176.094 -0.055 0.000 1.069 294 V CA 2.798 65.134 62.300 0.060 0.000 1.054 294 V CB -0.940 30.996 31.823 0.189 0.000 0.664 294 V HN 0.660 nan 8.190 nan 0.000 0.453 295 R N -0.544 119.925 120.500 -0.052 0.000 2.152 295 R HA -0.155 4.179 4.340 -0.009 0.000 0.232 295 R C 2.062 178.206 176.300 -0.261 0.000 1.117 295 R CA 1.954 57.960 56.100 -0.157 0.000 0.981 295 R CB -0.731 29.467 30.300 -0.171 0.000 0.870 295 R HN 0.654 nan 8.270 nan 0.000 0.451 296 H N 1.031 120.058 119.070 -0.072 0.000 2.448 296 H HA 0.104 4.654 4.556 -0.010 0.000 0.292 296 H C 2.285 177.494 175.328 -0.198 0.000 1.035 296 H CA 1.051 57.043 56.048 -0.094 0.000 1.349 296 H CB -0.018 29.718 29.762 -0.044 0.000 1.425 296 H HN 0.129 nan 8.280 nan 0.000 0.539 297 L N 0.819 121.925 121.223 -0.196 0.000 2.040 297 L HA -0.240 4.095 4.340 -0.009 0.000 0.228 297 L C -0.346 176.234 176.870 -0.485 0.000 1.092 297 L CA 1.845 56.422 54.840 -0.437 0.000 0.805 297 L CB -1.994 39.646 42.059 -0.698 0.000 0.905 297 L HN 0.239 nan 8.230 nan 0.000 0.443 298 P HA -0.286 nan 4.420 nan 0.000 0.222 298 P C 1.403 178.605 177.300 -0.164 0.000 1.154 298 P CA 2.894 65.835 63.100 -0.264 0.000 0.874 298 P CB -0.048 31.579 31.700 -0.122 0.000 0.787 299 K N -1.401 118.909 120.400 -0.149 0.000 2.335 299 K HA 0.153 4.467 4.320 -0.009 0.000 0.195 299 K C 1.791 178.288 176.600 -0.171 0.000 1.058 299 K CA 0.841 57.058 56.287 -0.116 0.000 0.988 299 K CB -1.390 31.073 32.500 -0.061 0.000 0.880 299 K HN 0.077 nan 8.250 nan 0.000 0.513 300 L N 0.423 121.510 121.223 -0.228 0.000 2.044 300 L HA 0.147 4.481 4.340 -0.009 0.000 0.205 300 L C 2.248 178.896 176.870 -0.369 0.000 1.075 300 L CA 1.569 56.189 54.840 -0.365 0.000 0.747 300 L CB -0.264 41.523 42.059 -0.454 0.000 0.903 300 L HN 0.342 nan 8.230 nan 0.000 0.435 301 I N 0.101 120.489 120.570 -0.303 0.000 2.208 301 I HA -0.199 3.965 4.170 -0.009 0.000 0.245 301 I C -0.342 175.661 176.117 -0.189 0.000 1.097 301 I CA 1.305 62.460 61.300 -0.241 0.000 1.363 301 I CB -1.539 36.344 38.000 -0.194 0.000 1.051 301 I HN 0.269 nan 8.210 nan 0.000 0.413 302 P HA -0.146 nan 4.420 nan 0.000 0.216 302 P C 1.911 179.118 177.300 -0.155 0.000 1.150 302 P CA 1.259 64.279 63.100 -0.133 0.000 0.843 302 P CB -0.005 31.629 31.700 -0.109 0.000 0.787 303 V N -0.734 119.064 119.914 -0.193 0.000 2.427 303 V HA -0.200 3.914 4.120 -0.009 0.000 0.248 303 V C 2.446 178.410 176.094 -0.216 0.000 1.051 303 V CA 1.477 63.654 62.300 -0.204 0.000 1.048 303 V CB -1.131 30.543 31.823 -0.248 0.000 0.666 303 V HN 0.078 nan 8.190 nan 0.000 0.456 304 L N -0.445 120.625 121.223 -0.255 0.000 1.976 304 L HA -0.141 4.193 4.340 -0.009 0.000 0.209 304 L C 2.563 179.329 176.870 -0.172 0.000 1.071 304 L CA 1.403 56.111 54.840 -0.220 0.000 0.746 304 L CB -0.838 41.083 42.059 -0.232 0.000 0.890 304 L HN 0.189 nan 8.230 nan 0.000 0.432 305 V N 0.650 120.469 119.914 -0.158 0.000 2.324 305 V HA -0.368 3.746 4.120 -0.009 0.000 0.250 305 V C 2.416 178.422 176.094 -0.147 0.000 1.060 305 V CA 2.307 64.524 62.300 -0.138 0.000 1.042 305 V CB -0.902 30.850 31.823 -0.119 0.000 0.650 305 V HN 0.611 nan 8.190 nan 0.000 0.450 306 N N 0.745 119.358 118.700 -0.145 0.000 2.104 306 N HA -0.160 4.574 4.740 -0.009 0.000 0.190 306 N C 1.844 177.263 175.510 -0.152 0.000 1.024 306 N CA 1.795 54.760 53.050 -0.143 0.000 0.853 306 N CB -0.257 38.153 38.487 -0.128 0.000 1.008 306 N HN 0.510 nan 8.380 nan 0.000 0.424 307 G N 0.470 109.178 108.800 -0.154 0.000 2.534 307 G HA2 -0.090 3.865 3.960 -0.009 0.000 0.217 307 G HA3 -0.090 3.865 3.960 -0.009 0.000 0.217 307 G C 1.466 176.253 174.900 -0.189 0.000 1.128 307 G CA 0.032 45.038 45.100 -0.157 0.000 0.784 307 G HN 0.322 nan 8.290 nan 0.000 0.542 308 M N -0.040 119.441 119.600 -0.198 0.000 2.619 308 M HA 0.154 4.628 4.480 -0.009 0.000 0.251 308 M C 1.448 177.570 176.300 -0.297 0.000 1.106 308 M CA 0.416 55.572 55.300 -0.239 0.000 1.086 308 M CB 0.093 32.573 32.600 -0.200 0.000 1.465 308 M HN 0.043 nan 8.290 nan 0.000 0.506 309 K N -0.858 119.391 120.400 -0.251 0.000 2.476 309 K HA -0.018 4.297 4.320 -0.009 0.000 0.263 309 K C 0.449 176.887 176.600 -0.270 0.000 1.086 309 K CA 0.542 56.678 56.287 -0.252 0.000 0.880 309 K CB 0.287 32.673 32.500 -0.190 0.000 1.128 309 K HN 0.099 nan 8.250 nan 0.000 0.497 310 Y N -0.373 119.817 120.300 -0.183 0.000 2.467 310 Y HA -0.010 4.534 4.550 -0.010 0.000 0.259 310 Y C 0.409 176.231 175.900 -0.131 0.000 1.084 310 Y CA 0.052 58.059 58.100 -0.155 0.000 1.275 310 Y CB 0.952 39.309 38.460 -0.172 0.000 1.208 310 Y HN 0.708 nan 8.280 nan 0.000 0.511 311 S N 0.243 115.953 115.700 0.017 0.000 3.486 311 S HA -0.336 4.128 4.470 -0.009 0.000 0.632 311 S C 0.438 175.028 174.600 -0.017 0.000 2.553 311 S CA 0.963 59.154 58.200 -0.016 0.000 2.974 311 S CB -1.132 62.061 63.200 -0.011 0.000 0.320 311 S HN 0.663 nan 8.310 nan 0.000 1.613 312 D N 0.951 121.343 120.400 -0.015 0.000 2.340 312 D HA 0.269 4.904 4.640 -0.009 0.000 0.220 312 D C 1.309 177.605 176.300 -0.006 0.000 1.039 312 D CA 0.480 54.471 54.000 -0.014 0.000 0.866 312 D CB -0.497 40.294 40.800 -0.015 0.000 0.913 312 D HN 0.559 nan 8.370 nan 0.000 0.523 313 I N 1.023 121.601 120.570 0.015 0.000 2.315 313 I HA -0.295 3.869 4.170 -0.009 0.000 0.251 313 I C 1.164 177.264 176.117 -0.028 0.000 1.125 313 I CA 1.303 62.618 61.300 0.026 0.000 1.392 313 I CB -0.374 37.699 38.000 0.122 0.000 1.065 313 I HN -0.034 nan 8.210 nan 0.000 0.424 314 D N 1.015 121.374 120.400 -0.067 0.000 2.239 314 D HA -0.202 4.433 4.640 -0.009 0.000 0.202 314 D C 1.979 178.264 176.300 -0.026 0.000 0.993 314 D CA 1.397 55.353 54.000 -0.074 0.000 0.874 314 D CB -0.215 40.582 40.800 -0.005 0.000 0.922 314 D HN 0.420 nan 8.370 nan 0.000 0.464 315 I N -0.147 120.414 120.570 -0.016 0.000 2.585 315 I HA -0.039 4.125 4.170 -0.009 0.000 0.254 315 I C 1.905 178.014 176.117 -0.013 0.000 1.129 315 I CA 0.453 61.748 61.300 -0.008 0.000 1.455 315 I CB 0.047 38.045 38.000 -0.003 0.000 1.111 315 I HN -0.039 nan 8.210 nan 0.000 0.433 316 I N 0.110 120.672 120.570 -0.013 0.000 3.001 316 I HA -0.152 4.013 4.170 -0.009 0.000 0.268 316 I C 2.073 178.181 176.117 -0.016 0.000 1.267 316 I CA 0.963 62.256 61.300 -0.011 0.000 1.472 316 I CB -0.285 37.712 38.000 -0.004 0.000 1.089 316 I HN 0.225 nan 8.210 nan 0.000 0.468 317 L N 0.156 121.362 121.223 -0.028 0.000 2.130 317 L HA -0.030 4.304 4.340 -0.009 0.000 0.200 317 L C 2.325 179.171 176.870 -0.040 0.000 1.075 317 L CA 0.924 55.741 54.840 -0.038 0.000 0.768 317 L CB -0.217 41.801 42.059 -0.067 0.000 0.933 317 L HN 0.158 nan 8.230 nan 0.000 0.451 318 L N 0.136 121.333 121.223 -0.042 0.000 1.947 318 L HA -0.039 4.295 4.340 -0.009 0.000 0.211 318 L C 1.878 178.732 176.870 -0.027 0.000 1.098 318 L CA 0.838 55.654 54.840 -0.039 0.000 0.767 318 L CB -1.103 40.932 42.059 -0.040 0.000 0.891 318 L HN 0.081 nan 8.230 nan 0.000 0.436 369 T N -0.378 114.172 114.554 -0.006 0.000 2.840 369 T HA 0.765 5.109 4.350 -0.009 0.000 0.317 369 T C -0.621 174.084 174.700 0.007 0.000 1.401 369 T CA -0.522 61.578 62.100 0.001 0.000 1.028 369 T CB 1.932 70.802 68.868 0.003 0.000 1.317 369 T HN 0.636 nan 8.240 nan 0.000 0.495 370 I N 0.404 120.983 120.570 0.016 0.000 3.436 370 I HA 0.683 4.848 4.170 -0.009 0.000 0.300 370 I C 0.431 176.563 176.117 0.026 0.000 1.131 370 I CA -0.680 60.633 61.300 0.021 0.000 1.001 370 I CB 2.086 40.104 38.000 0.031 0.000 1.305 370 I HN 0.720 nan 8.210 nan 0.000 0.494 371 S N 0.568 116.284 115.700 0.027 0.000 2.563 371 S HA -0.007 4.457 4.470 -0.009 0.000 0.284 371 S C 0.386 175.026 174.600 0.067 0.000 1.331 371 S CA 0.104 58.330 58.200 0.044 0.000 1.047 371 S CB 0.158 63.382 63.200 0.039 0.000 0.859 371 S HN 0.556 nan 8.310 nan 0.000 0.514 372 D N 1.973 122.436 120.400 0.104 0.000 2.269 372 D HA 0.074 4.708 4.640 -0.009 0.000 0.208 372 D C -0.136 176.352 176.300 0.313 0.000 0.963 372 D CA 0.803 54.894 54.000 0.152 0.000 0.864 372 D CB 0.149 41.021 40.800 0.120 0.000 0.936 372 D HN 0.526 nan 8.370 nan 0.000 0.505 373 W N 1.144 122.434 121.300 -0.018 0.000 3.097 373 W HA 0.301 4.956 4.660 -0.009 0.000 0.335 373 W C -1.340 175.168 176.519 -0.018 0.000 1.114 373 W CA -0.715 56.618 57.345 -0.020 0.000 1.231 373 W CB 1.559 31.010 29.460 -0.016 0.000 1.388 373 W HN -0.070 nan 8.180 nan 0.000 0.485 374 N N 1.760 120.166 118.700 -0.491 0.000 3.277 374 N HA 0.242 4.976 4.740 -0.009 0.000 0.278 374 N C -0.194 175.013 175.510 -0.504 0.000 1.544 374 N CA -0.745 52.090 53.050 -0.358 0.000 0.869 374 N CB 0.673 39.047 38.487 -0.189 0.000 1.584 374 N HN 0.202 nan 8.380 nan 0.000 0.564 375 L N 0.290 121.335 121.223 -0.297 0.000 2.042 375 L HA 0.057 4.392 4.340 -0.009 0.000 0.210 375 L C 2.437 179.123 176.870 -0.307 0.000 1.076 375 L CA 1.885 56.570 54.840 -0.258 0.000 0.749 375 L CB -0.708 41.256 42.059 -0.158 0.000 0.893 375 L HN 0.790 nan 8.230 nan 0.000 0.432 376 R N -0.228 120.088 120.500 -0.307 0.000 2.082 376 R HA -0.205 4.129 4.340 -0.009 0.000 0.234 376 R C 2.275 178.351 176.300 -0.373 0.000 1.136 376 R CA 2.126 58.035 56.100 -0.317 0.000 0.935 376 R CB -0.243 29.862 30.300 -0.324 0.000 0.842 376 R HN 0.396 nan 8.270 nan 0.000 0.430 377 K N 0.012 120.118 120.400 -0.490 0.000 2.097 377 K HA -0.179 4.135 4.320 -0.009 0.000 0.206 377 K C 2.394 178.595 176.600 -0.664 0.000 1.049 377 K CA 1.374 57.321 56.287 -0.566 0.000 0.933 377 K CB -0.511 31.584 32.500 -0.675 0.000 0.717 377 K HN 0.329 nan 8.250 nan 0.000 0.442 378 c N 1.606 119.670 118.600 -0.893 0.000 2.436 378 c HA -0.133 4.432 4.570 -0.009 0.000 0.277 378 c C 2.928 176.937 174.090 -0.134 0.000 1.241 378 c CA 1.646 57.696 56.329 -0.465 0.000 1.721 378 c CB -0.920 41.382 42.510 -0.348 0.000 2.043 378 c HN 0.520 nan 8.230 nan 0.000 0.472 379 S N 1.837 117.435 115.700 -0.170 0.000 2.382 379 S HA -0.056 4.409 4.470 -0.009 0.000 0.228 379 S C 2.194 176.738 174.600 -0.094 0.000 1.027 379 S CA 1.393 59.531 58.200 -0.104 0.000 0.991 379 S CB -0.886 62.230 63.200 -0.140 0.000 0.823 379 S HN 0.873 nan 8.310 nan 0.000 0.469 380 A N 2.646 125.386 122.820 -0.134 0.000 1.859 380 A HA 0.039 4.353 4.320 -0.009 0.000 0.217 380 A C 2.547 180.122 177.584 -0.015 0.000 1.198 380 A CA 2.168 54.149 52.037 -0.093 0.000 0.629 380 A CB -1.621 17.290 19.000 -0.148 0.000 0.830 380 A HN 0.672 nan 8.150 nan 0.000 0.446 381 A N -0.264 122.565 122.820 0.014 0.000 1.884 381 A HA 0.009 4.323 4.320 -0.009 0.000 0.219 381 A C 2.583 180.234 177.584 0.112 0.000 1.197 381 A CA 2.985 55.093 52.037 0.118 0.000 0.637 381 A CB -1.341 17.826 19.000 0.279 0.000 0.827 381 A HN 1.324 nan 8.150 nan 0.000 0.450 382 A N -0.711 122.175 122.820 0.109 0.000 1.873 382 A HA -0.149 4.165 4.320 -0.009 0.000 0.218 382 A C 2.161 179.786 177.584 0.069 0.000 1.193 382 A CA 2.047 54.154 52.037 0.117 0.000 0.629 382 A CB -0.807 18.273 19.000 0.133 0.000 0.826 382 A HN 0.751 nan 8.150 nan 0.000 0.447 383 L N 0.396 121.632 121.223 0.021 0.000 2.042 383 L HA -0.191 4.144 4.340 -0.009 0.000 0.210 383 L C 2.092 178.984 176.870 0.036 0.000 1.076 383 L CA 2.739 57.581 54.840 0.003 0.000 0.749 383 L CB -0.889 41.154 42.059 -0.027 0.000 0.893 383 L HN 0.553 nan 8.230 nan 0.000 0.432 384 D N -0.868 119.565 120.400 0.055 0.000 2.106 384 D HA -0.182 4.452 4.640 -0.009 0.000 0.191 384 D C 2.116 178.455 176.300 0.065 0.000 0.997 384 D CA 1.909 55.950 54.000 0.069 0.000 0.834 384 D CB -0.076 40.780 40.800 0.093 0.000 0.956 384 D HN 0.228 nan 8.370 nan 0.000 0.448 385 V N 0.821 120.780 119.914 0.075 0.000 2.343 385 V HA -0.228 3.886 4.120 -0.009 0.000 0.247 385 V C 2.843 178.990 176.094 0.088 0.000 1.051 385 V CA 1.311 63.656 62.300 0.075 0.000 1.036 385 V CB -0.517 31.356 31.823 0.084 0.000 0.654 385 V HN 0.250 nan 8.190 nan 0.000 0.451 386 L N 0.247 121.536 121.223 0.109 0.000 2.083 386 L HA -0.162 4.172 4.340 -0.009 0.000 0.209 386 L C 2.694 179.668 176.870 0.174 0.000 1.083 386 L CA 1.595 56.537 54.840 0.170 0.000 0.752 386 L CB -0.816 41.323 42.059 0.133 0.000 0.899 386 L HN 0.351 nan 8.230 nan 0.000 0.433 387 A N -0.128 122.753 122.820 0.103 0.000 1.972 387 A HA -0.180 4.135 4.320 -0.009 0.000 0.219 387 A C 2.044 179.666 177.584 0.064 0.000 1.169 387 A CA 1.600 53.685 52.037 0.081 0.000 0.635 387 A CB -0.476 18.550 19.000 0.043 0.000 0.810 387 A HN 0.440 nan 8.150 nan 0.000 0.446 388 N N -0.260 118.470 118.700 0.051 0.000 2.409 388 N HA -0.047 4.687 4.740 -0.009 0.000 0.179 388 N C 1.549 177.067 175.510 0.012 0.000 1.032 388 N CA 1.321 54.386 53.050 0.024 0.000 0.898 388 N CB 0.070 38.566 38.487 0.017 0.000 0.971 388 N HN 0.340 nan 8.380 nan 0.000 0.441 389 V N -0.279 119.652 119.914 0.028 0.000 2.391 389 V HA -0.017 4.097 4.120 -0.009 0.000 0.237 389 V C 0.157 176.165 176.094 -0.144 0.000 1.046 389 V CA 0.703 62.967 62.300 -0.059 0.000 1.053 389 V CB -0.378 31.411 31.823 -0.056 0.000 0.704 389 V HN 0.068 nan 8.190 nan 0.000 0.475 390 Y N 0.853 121.167 120.300 0.024 0.000 2.486 390 Y HA 0.349 4.894 4.550 -0.009 0.000 0.348 390 Y C 1.099 177.010 175.900 0.018 0.000 1.000 390 Y CA -0.125 57.992 58.100 0.028 0.000 1.253 390 Y CB 0.559 39.044 38.460 0.042 0.000 1.140 390 Y HN 0.026 nan 8.280 nan 0.000 0.526 391 R N 1.295 121.861 120.500 0.111 0.000 2.088 391 R HA -0.025 4.309 4.340 -0.009 0.000 0.195 391 R C 1.041 177.378 176.300 0.061 0.000 1.137 391 R CA 1.625 57.762 56.100 0.062 0.000 1.057 391 R CB -0.344 29.973 30.300 0.027 0.000 0.748 391 R HN 0.621 nan 8.270 nan 0.000 0.511 392 D N 0.092 120.518 120.400 0.044 0.000 2.347 392 D HA -0.016 4.618 4.640 -0.009 0.000 0.213 392 D C 1.287 177.601 176.300 0.022 0.000 0.985 392 D CA 0.524 54.536 54.000 0.021 0.000 0.879 392 D CB 0.108 40.914 40.800 0.011 0.000 0.919 392 D HN 0.323 nan 8.370 nan 0.000 0.526 393 E N 0.084 120.324 120.200 0.067 0.000 2.347 393 E HA -0.042 4.303 4.350 -0.009 0.000 0.196 393 E C 1.714 178.347 176.600 0.054 0.000 1.008 393 E CA 0.056 56.494 56.400 0.065 0.000 0.852 393 E CB -0.029 29.756 29.700 0.142 0.000 0.783 393 E HN 0.149 nan 8.360 nan 0.000 0.505 394 L N 0.152 121.428 121.223 0.087 0.000 2.141 394 L HA -0.084 4.250 4.340 -0.009 0.000 0.209 394 L C 1.699 178.575 176.870 0.009 0.000 1.094 394 L CA 1.089 55.981 54.840 0.087 0.000 0.763 394 L CB -0.079 42.025 42.059 0.074 0.000 0.908 394 L HN 0.162 nan 8.230 nan 0.000 0.437 395 L N -0.255 120.936 121.223 -0.053 0.000 1.990 395 L HA -0.202 4.133 4.340 -0.009 0.000 0.213 395 L C -0.295 176.485 176.870 -0.149 0.000 1.072 395 L CA 1.502 56.275 54.840 -0.113 0.000 0.755 395 L CB -1.942 40.031 42.059 -0.142 0.000 0.889 395 L HN 0.207 nan 8.230 nan 0.000 0.432 396 P HA -0.179 nan 4.420 nan 0.000 0.222 396 P C 1.043 178.158 177.300 -0.307 0.000 1.142 396 P CA 1.426 64.362 63.100 -0.274 0.000 0.788 396 P CB -0.123 31.352 31.700 -0.376 0.000 0.767 397 H N -2.318 116.709 119.070 -0.071 0.000 2.582 397 H HA 0.216 4.766 4.556 -0.009 0.000 0.269 397 H C 1.767 177.044 175.328 -0.084 0.000 0.962 397 H CA 0.828 56.826 56.048 -0.082 0.000 1.230 397 H CB 0.199 29.896 29.762 -0.108 0.000 1.445 397 H HN 0.254 nan 8.280 nan 0.000 0.528 398 I N -0.766 119.807 120.570 0.006 0.000 3.300 398 I HA -0.022 4.142 4.170 -0.009 0.000 0.279 398 I C 2.195 178.278 176.117 -0.056 0.000 1.172 398 I CA 0.135 61.415 61.300 -0.032 0.000 1.431 398 I CB -0.223 37.750 38.000 -0.046 0.000 1.240 398 I HN -0.084 nan 8.210 nan 0.000 0.453 399 L N 1.470 122.641 121.223 -0.086 0.000 2.021 399 L HA -0.179 4.156 4.340 -0.009 0.000 0.215 399 L C -0.149 176.702 176.870 -0.032 0.000 1.074 399 L CA 2.074 56.858 54.840 -0.094 0.000 0.760 399 L CB -2.108 39.868 42.059 -0.138 0.000 0.889 399 L HN 0.197 nan 8.230 nan 0.000 0.433 400 P HA -0.219 nan 4.420 nan 0.000 0.213 400 P C 1.651 178.953 177.300 0.004 0.000 1.176 400 P CA 1.586 64.687 63.100 0.002 0.000 0.919 400 P CB -0.177 31.521 31.700 -0.002 0.000 0.791 401 L N -3.388 117.828 121.223 -0.012 0.000 2.362 401 L HA 0.004 4.339 4.340 -0.009 0.000 0.219 401 L C 2.113 178.966 176.870 -0.028 0.000 1.134 401 L CA 1.604 56.433 54.840 -0.018 0.000 0.807 401 L CB -1.851 40.187 42.059 -0.035 0.000 0.927 401 L HN -0.141 nan 8.230 nan 0.000 0.447 402 L N 0.628 121.828 121.223 -0.037 0.000 2.131 402 L HA 0.067 4.401 4.340 -0.009 0.000 0.206 402 L C 2.831 179.669 176.870 -0.053 0.000 1.087 402 L CA 2.213 57.017 54.840 -0.060 0.000 0.767 402 L CB -0.941 41.071 42.059 -0.079 0.000 0.917 402 L HN 0.356 nan 8.230 nan 0.000 0.441 403 K N -0.340 120.068 120.400 0.013 0.000 2.211 403 K HA -0.159 4.156 4.320 -0.009 0.000 0.203 403 K C 1.967 178.650 176.600 0.137 0.000 1.050 403 K CA 1.508 57.859 56.287 0.106 0.000 0.945 403 K CB -0.844 31.740 32.500 0.141 0.000 0.732 403 K HN 0.568 nan 8.250 nan 0.000 0.451 404 E N 0.239 120.487 120.200 0.080 0.000 2.152 404 E HA -0.018 4.327 4.350 -0.009 0.000 0.192 404 E C 1.800 178.457 176.600 0.096 0.000 0.983 404 E CA 0.975 57.434 56.400 0.099 0.000 0.818 404 E CB -0.068 29.669 29.700 0.061 0.000 0.758 404 E HN 0.530 nan 8.360 nan 0.000 0.467 405 L N -0.334 120.891 121.223 0.003 0.000 2.200 405 L HA 0.073 4.407 4.340 -0.009 0.000 0.200 405 L C 2.422 179.250 176.870 -0.070 0.000 1.072 405 L CA 0.456 55.266 54.840 -0.050 0.000 0.787 405 L CB -0.323 41.681 42.059 -0.092 0.000 0.957 405 L HN 0.208 nan 8.230 nan 0.000 0.459 406 L N -0.692 120.397 121.223 -0.224 0.000 2.046 406 L HA -0.148 4.186 4.340 -0.009 0.000 0.208 406 L C 0.218 176.846 176.870 -0.403 0.000 1.077 406 L CA 1.240 55.834 54.840 -0.410 0.000 0.747 406 L CB -0.168 41.431 42.059 -0.768 0.000 0.896 406 L HN 0.063 nan 8.230 nan 0.000 0.432 407 F N -0.575 119.424 119.950 0.081 0.000 2.303 407 F HA 0.419 4.943 4.527 -0.005 0.000 0.368 407 F C 0.236 176.141 175.800 0.175 0.000 1.105 407 F CA -0.534 57.523 58.000 0.095 0.000 1.153 407 F CB 0.219 39.209 39.000 -0.017 0.000 1.362 407 F HN -0.044 nan 8.300 nan 0.000 0.511 408 H N 2.960 122.157 119.070 0.212 0.000 3.038 408 H HA 0.138 4.690 4.556 -0.007 0.000 0.362 408 H C 0.331 175.750 175.328 0.152 0.000 1.167 408 H CA -0.601 55.533 56.048 0.143 0.000 1.197 408 H CB 1.543 31.316 29.762 0.018 0.000 1.840 408 H HN 0.702 nan 8.280 nan 0.000 0.540 409 H N 2.226 121.235 119.070 -0.102 0.000 2.363 409 H HA 0.068 4.620 4.556 -0.007 0.000 0.301 409 H C -0.356 175.108 175.328 0.227 0.000 1.074 409 H CA 0.254 56.336 56.048 0.056 0.000 1.354 409 H CB 0.135 29.875 29.762 -0.038 0.000 1.397 409 H HN 0.435 nan 8.280 nan 0.000 0.516 410 E N 1.815 122.022 120.200 0.011 0.000 2.324 410 E HA -0.035 4.310 4.350 -0.009 0.000 0.271 410 E C 1.039 177.729 176.600 0.150 0.000 1.028 410 E CA -0.307 56.153 56.400 0.100 0.000 0.890 410 E CB 0.599 30.279 29.700 -0.033 0.000 1.004 410 E HN 0.598 nan 8.360 nan 0.000 0.431 411 W N 3.713 125.051 121.300 0.063 0.000 2.407 411 W HA -0.106 4.547 4.660 -0.011 0.000 0.305 411 W C 1.015 177.552 176.519 0.029 0.000 1.196 411 W CA 0.294 57.671 57.345 0.053 0.000 1.311 411 W CB -0.938 28.550 29.460 0.047 0.000 1.135 411 W HN 0.280 nan 8.180 nan 0.000 0.514 412 V N 2.250 121.582 119.914 -0.971 0.000 2.370 412 V HA -0.353 3.762 4.120 -0.009 0.000 0.252 412 V C 2.526 178.413 176.094 -0.345 0.000 1.068 412 V CA 2.448 64.258 62.300 -0.816 0.000 1.061 412 V CB -1.044 30.237 31.823 -0.902 0.000 0.656 412 V HN 0.137 nan 8.190 nan 0.000 0.455 413 V N -0.395 119.310 119.914 -0.349 0.000 2.407 413 V HA -0.200 3.914 4.120 -0.009 0.000 0.245 413 V C 2.305 178.251 176.094 -0.246 0.000 1.041 413 V CA 2.117 64.184 62.300 -0.387 0.000 1.040 413 V CB -0.641 30.707 31.823 -0.793 0.000 0.671 413 V HN 0.582 nan 8.190 nan 0.000 0.455 414 K N 0.395 120.735 120.400 -0.100 0.000 2.057 414 K HA -0.233 4.081 4.320 -0.009 0.000 0.207 414 K C 2.270 178.902 176.600 0.053 0.000 1.049 414 K CA 1.695 58.000 56.287 0.031 0.000 0.931 414 K CB -0.204 32.395 32.500 0.164 0.000 0.714 414 K HN 0.404 nan 8.250 nan 0.000 0.440 415 E N 0.916 121.184 120.200 0.115 0.000 2.077 415 E HA -0.177 4.167 4.350 -0.009 0.000 0.193 415 E C 1.921 178.550 176.600 0.048 0.000 0.989 415 E CA 1.686 58.183 56.400 0.163 0.000 0.800 415 E CB -0.182 29.732 29.700 0.356 0.000 0.746 415 E HN 0.468 nan 8.360 nan 0.000 0.452 416 S N -0.413 115.262 115.700 -0.043 0.000 2.383 416 S HA -0.106 4.358 4.470 -0.009 0.000 0.229 416 S C 2.207 176.763 174.600 -0.074 0.000 1.030 416 S CA 1.466 59.599 58.200 -0.112 0.000 1.002 416 S CB -0.875 62.226 63.200 -0.165 0.000 0.829 416 S HN 0.316 nan 8.310 nan 0.000 0.467 417 G N 1.363 110.127 108.800 -0.060 0.000 2.422 417 G HA2 0.023 3.978 3.960 -0.009 0.000 0.218 417 G HA3 0.023 3.978 3.960 -0.009 0.000 0.218 417 G C 1.380 176.273 174.900 -0.012 0.000 1.140 417 G CA 0.818 45.885 45.100 -0.054 0.000 0.775 417 G HN 0.594 nan 8.290 nan 0.000 0.545 418 I N -0.095 120.493 120.570 0.030 0.000 2.286 418 I HA -0.038 4.127 4.170 -0.009 0.000 0.245 418 I C 2.478 178.683 176.117 0.147 0.000 1.104 418 I CA 0.331 61.682 61.300 0.085 0.000 1.397 418 I CB -0.146 37.921 38.000 0.110 0.000 1.072 418 I HN 0.147 nan 8.210 nan 0.000 0.417 419 L N 0.538 121.830 121.223 0.116 0.000 2.017 419 L HA -0.149 4.186 4.340 -0.009 0.000 0.208 419 L C 2.440 179.390 176.870 0.133 0.000 1.073 419 L CA 1.791 56.713 54.840 0.136 0.000 0.745 419 L CB -0.494 41.546 42.059 -0.032 0.000 0.894 419 L HN -0.004 nan 8.230 nan 0.000 0.432 420 V N -0.368 119.571 119.914 0.041 0.000 2.380 420 V HA -0.292 3.822 4.120 -0.009 0.000 0.251 420 V C 2.517 178.646 176.094 0.059 0.000 1.063 420 V CA 1.814 64.127 62.300 0.022 0.000 1.055 420 V CB -0.804 31.001 31.823 -0.029 0.000 0.657 420 V HN 0.510 nan 8.190 nan 0.000 0.455 421 L N 1.134 122.404 121.223 0.077 0.000 2.093 421 L HA 0.047 4.382 4.340 -0.009 0.000 0.208 421 L C 2.284 179.254 176.870 0.166 0.000 1.085 421 L CA 2.314 57.210 54.840 0.093 0.000 0.755 421 L CB -1.169 40.927 42.059 0.063 0.000 0.904 421 L HN 0.260 nan 8.230 nan 0.000 0.435 422 G N -1.434 107.478 108.800 0.186 0.000 2.408 422 G HA2 -0.112 3.843 3.960 -0.009 0.000 0.215 422 G HA3 -0.112 3.843 3.960 -0.009 0.000 0.215 422 G C 1.609 176.561 174.900 0.086 0.000 1.156 422 G CA 0.626 45.730 45.100 0.007 0.000 0.793 422 G HN 0.582 nan 8.290 nan 0.000 0.535 423 A N 1.082 124.080 122.820 0.297 0.000 1.859 423 A HA -0.092 4.223 4.320 -0.009 0.000 0.217 423 A C 2.307 179.944 177.584 0.089 0.000 1.198 423 A CA 1.675 53.846 52.037 0.223 0.000 0.629 423 A CB -0.549 18.532 19.000 0.135 0.000 0.830 423 A HN 0.300 nan 8.150 nan 0.000 0.446 424 I N -0.014 120.588 120.570 0.053 0.000 2.567 424 I HA -0.206 3.959 4.170 -0.009 0.000 0.257 424 I C 2.713 178.819 176.117 -0.019 0.000 1.184 424 I CA 0.895 62.206 61.300 0.019 0.000 1.451 424 I CB -0.325 37.683 38.000 0.013 0.000 1.089 424 I HN 0.375 nan 8.210 nan 0.000 0.441 425 A N 0.185 122.957 122.820 -0.079 0.000 1.859 425 A HA -0.366 3.948 4.320 -0.009 0.000 0.218 425 A C 2.359 179.790 177.584 -0.256 0.000 1.209 425 A CA 2.420 54.283 52.037 -0.290 0.000 0.639 425 A CB -0.947 17.624 19.000 -0.715 0.000 0.835 425 A HN 0.532 nan 8.150 nan 0.000 0.450 426 E N -0.857 119.220 120.200 -0.204 0.000 2.070 426 E HA -0.156 4.188 4.350 -0.009 0.000 0.197 426 E C 2.097 178.651 176.600 -0.078 0.000 1.004 426 E CA 1.401 57.718 56.400 -0.138 0.000 0.805 426 E CB -0.510 29.137 29.700 -0.089 0.000 0.744 426 E HN 0.524 nan 8.360 nan 0.000 0.451 427 G N 0.058 108.832 108.800 -0.043 0.000 2.404 427 G HA2 -0.234 3.720 3.960 -0.009 0.000 0.215 427 G HA3 -0.234 3.720 3.960 -0.009 0.000 0.215 427 G C 1.480 176.374 174.900 -0.011 0.000 1.174 427 G CA 0.948 46.039 45.100 -0.014 0.000 0.780 427 G HN 0.427 nan 8.290 nan 0.000 0.537 428 C N 0.766 120.058 119.300 -0.013 0.000 2.625 428 C HA 0.341 4.795 4.460 -0.009 0.000 0.285 428 C C 2.323 177.309 174.990 -0.007 0.000 1.279 428 C CA -0.254 58.758 59.018 -0.010 0.000 1.698 428 C CB -0.858 26.870 27.740 -0.021 0.000 1.821 428 C HN 0.456 nan 8.230 nan 0.000 0.600 429 M N 1.901 121.495 119.600 -0.010 0.000 2.405 429 M HA -0.305 4.169 4.480 -0.009 0.000 0.256 429 M C 2.154 178.467 176.300 0.020 0.000 1.067 429 M CA 2.081 57.389 55.300 0.013 0.000 1.073 429 M CB -0.814 31.777 32.600 -0.015 0.000 1.273 429 M HN 0.444 nan 8.290 nan 0.000 0.443 430 Q N -1.583 118.225 119.800 0.012 0.000 2.119 430 Q HA -0.048 4.287 4.340 -0.009 0.000 0.201 430 Q C 1.909 177.913 176.000 0.007 0.000 0.972 430 Q CA 1.301 57.114 55.803 0.017 0.000 0.847 430 Q CB -0.520 28.231 28.738 0.022 0.000 0.903 430 Q HN 0.784 nan 8.270 nan 0.000 0.433 431 G N 0.097 108.896 108.800 -0.001 0.000 2.598 431 G HA2 -0.181 3.774 3.960 -0.009 0.000 0.215 431 G HA3 -0.181 3.774 3.960 -0.009 0.000 0.215 431 G C 1.196 176.076 174.900 -0.032 0.000 1.131 431 G CA 0.285 45.382 45.100 -0.005 0.000 0.785 431 G HN 0.173 nan 8.290 nan 0.000 0.539 432 M N 0.484 120.050 119.600 -0.057 0.000 2.492 432 M HA 0.347 4.821 4.480 -0.009 0.000 0.255 432 M C 2.031 178.245 176.300 -0.143 0.000 1.139 432 M CA 0.055 55.283 55.300 -0.120 0.000 1.096 432 M CB -0.058 32.511 32.600 -0.053 0.000 1.360 432 M HN 0.022 nan 8.290 nan 0.000 0.480 433 I N 1.258 121.729 120.570 -0.166 0.000 2.069 433 I HA -0.242 3.922 4.170 -0.009 0.000 0.237 433 I C -0.492 175.458 176.117 -0.279 0.000 1.053 433 I CA 1.846 62.923 61.300 -0.373 0.000 1.311 433 I CB -2.949 34.920 38.000 -0.217 0.000 1.030 433 I HN 0.139 nan 8.210 nan 0.000 0.398 434 P HA -0.212 nan 4.420 nan 0.000 0.219 434 P C 1.456 178.673 177.300 -0.138 0.000 1.153 434 P CA 1.851 64.912 63.100 -0.065 0.000 0.865 434 P CB -0.238 31.435 31.700 -0.044 0.000 0.788 435 Y N -2.162 118.007 120.300 -0.219 0.000 2.511 435 Y HA 0.104 4.648 4.550 -0.010 0.000 0.279 435 Y C 2.164 177.904 175.900 -0.267 0.000 1.157 435 Y CA 0.101 58.089 58.100 -0.186 0.000 1.300 435 Y CB -1.113 37.256 38.460 -0.151 0.000 1.052 435 Y HN -0.081 nan 8.280 nan 0.000 0.529 436 L N 0.229 121.244 121.223 -0.347 0.000 2.109 436 L HA -0.082 4.252 4.340 -0.009 0.000 0.207 436 L C -0.461 176.217 176.870 -0.320 0.000 1.086 436 L CA 0.780 55.250 54.840 -0.616 0.000 0.760 436 L CB -1.491 39.703 42.059 -1.442 0.000 0.910 436 L HN 0.096 nan 8.230 nan 0.000 0.437 437 P HA -0.218 nan 4.420 nan 0.000 0.220 437 P C 1.301 178.733 177.300 0.219 0.000 1.144 437 P CA 1.381 64.647 63.100 0.278 0.000 0.800 437 P CB 0.105 31.974 31.700 0.282 0.000 0.772 438 E N -0.617 119.642 120.200 0.098 0.000 2.060 438 E HA -0.064 4.281 4.350 -0.009 0.000 0.189 438 E C 1.831 178.528 176.600 0.162 0.000 0.974 438 E CA 0.594 57.066 56.400 0.121 0.000 0.808 438 E CB -0.433 29.318 29.700 0.085 0.000 0.768 438 E HN 0.128 nan 8.360 nan 0.000 0.453 439 L N 0.878 122.154 121.223 0.088 0.000 2.095 439 L HA -0.097 4.237 4.340 -0.009 0.000 0.204 439 L C 2.473 179.409 176.870 0.109 0.000 1.080 439 L CA 0.236 55.133 54.840 0.096 0.000 0.759 439 L CB -0.260 41.769 42.059 -0.049 0.000 0.914 439 L HN 0.256 nan 8.230 nan 0.000 0.439 440 I N 0.271 120.871 120.570 0.051 0.000 2.208 440 I HA -0.177 3.987 4.170 -0.009 0.000 0.245 440 I C -0.063 176.174 176.117 0.200 0.000 1.097 440 I CA 1.753 63.118 61.300 0.108 0.000 1.363 440 I CB -2.541 35.535 38.000 0.127 0.000 1.051 440 I HN 0.158 nan 8.210 nan 0.000 0.413 441 P HA -0.194 nan 4.420 nan 0.000 0.215 441 P C 1.912 179.340 177.300 0.212 0.000 1.153 441 P CA 1.570 64.815 63.100 0.242 0.000 0.853 441 P CB -0.317 31.532 31.700 0.248 0.000 0.788 442 H N -0.218 118.945 119.070 0.155 0.000 2.353 442 H HA -0.075 4.475 4.556 -0.010 0.000 0.300 442 H C 1.841 177.245 175.328 0.125 0.000 1.090 442 H CA 1.219 57.370 56.048 0.171 0.000 1.327 442 H CB -0.455 29.462 29.762 0.259 0.000 1.383 442 H HN 0.049 nan 8.280 nan 0.000 0.508 443 L N 0.410 121.646 121.223 0.020 0.000 2.027 443 L HA -0.186 4.148 4.340 -0.009 0.000 0.206 443 L C 2.806 179.666 176.870 -0.017 0.000 1.074 443 L CA 1.011 55.827 54.840 -0.040 0.000 0.745 443 L CB -0.335 41.746 42.059 0.035 0.000 0.898 443 L HN 0.260 nan 8.230 nan 0.000 0.433 444 I N -0.469 120.128 120.570 0.045 0.000 2.315 444 I HA -0.320 3.845 4.170 -0.009 0.000 0.251 444 I C 2.610 178.742 176.117 0.025 0.000 1.125 444 I CA 0.971 62.303 61.300 0.054 0.000 1.392 444 I CB -0.248 37.805 38.000 0.089 0.000 1.065 444 I HN 0.337 nan 8.210 nan 0.000 0.424 445 Q N 0.596 120.396 119.800 0.001 0.000 2.119 445 Q HA -0.153 4.181 4.340 -0.009 0.000 0.201 445 Q C 2.276 178.252 176.000 -0.041 0.000 0.972 445 Q CA 1.870 57.667 55.803 -0.010 0.000 0.847 445 Q CB -0.332 28.410 28.738 0.007 0.000 0.903 445 Q HN 0.590 nan 8.270 nan 0.000 0.433 446 C N -0.123 119.116 119.300 -0.101 0.000 2.448 446 C HA 0.075 4.529 4.460 -0.009 0.000 0.280 446 C C 2.260 177.239 174.990 -0.019 0.000 1.398 446 C CA -0.106 58.866 59.018 -0.077 0.000 1.774 446 C CB -1.180 26.486 27.740 -0.123 0.000 1.888 446 C HN 0.469 nan 8.230 nan 0.000 0.519 447 L N 1.908 123.131 121.223 -0.001 0.000 2.450 447 L HA -0.144 4.190 4.340 -0.009 0.000 0.225 447 L C 2.066 178.942 176.870 0.011 0.000 1.145 447 L CA 1.517 56.369 54.840 0.020 0.000 0.801 447 L CB -0.421 41.659 42.059 0.036 0.000 0.924 447 L HN 0.508 nan 8.230 nan 0.000 0.447 448 S N -3.636 112.065 115.700 0.001 0.000 2.603 448 S HA 0.066 4.530 4.470 -0.009 0.000 0.232 448 S C 0.541 175.133 174.600 -0.012 0.000 1.016 448 S CA -0.650 57.548 58.200 -0.003 0.000 0.976 448 S CB 0.007 63.209 63.200 0.003 0.000 0.921 448 S HN 0.287 nan 8.310 nan 0.000 0.516 449 D N 2.516 122.906 120.400 -0.016 0.000 2.515 449 D HA -0.045 4.590 4.640 -0.009 0.000 0.232 449 D C 0.707 176.971 176.300 -0.060 0.000 1.157 449 D CA 0.399 54.382 54.000 -0.027 0.000 0.871 449 D CB 0.794 41.581 40.800 -0.022 0.000 1.200 449 D HN 0.002 nan 8.370 nan 0.000 0.466 450 K N 2.341 122.696 120.400 -0.074 0.000 2.097 450 K HA -0.118 4.196 4.320 -0.009 0.000 0.206 450 K C 0.801 177.297 176.600 -0.173 0.000 1.049 450 K CA 1.100 57.326 56.287 -0.102 0.000 0.933 450 K CB -0.694 31.751 32.500 -0.091 0.000 0.717 450 K HN 0.478 nan 8.250 nan 0.000 0.442 451 K N 1.399 121.642 120.400 -0.263 0.000 2.316 451 K HA 0.458 4.773 4.320 -0.009 0.000 0.289 451 K C 1.110 177.520 176.600 -0.317 0.000 1.070 451 K CA 0.547 56.564 56.287 -0.450 0.000 0.928 451 K CB 0.553 32.519 32.500 -0.890 0.000 1.039 451 K HN 0.135 nan 8.250 nan 0.000 0.480 452 A N 2.264 124.924 122.820 -0.267 0.000 1.883 452 A HA -0.063 4.252 4.320 -0.009 0.000 0.217 452 A C 2.105 179.623 177.584 -0.111 0.000 1.186 452 A CA 1.573 53.519 52.037 -0.152 0.000 0.624 452 A CB -0.362 18.564 19.000 -0.125 0.000 0.822 452 A HN 0.796 nan 8.150 nan 0.000 0.444 453 L N -0.156 120.974 121.223 -0.154 0.000 2.447 453 L HA -0.137 4.198 4.340 -0.009 0.000 0.225 453 L C 1.952 178.883 176.870 0.101 0.000 1.148 453 L CA 0.596 55.430 54.840 -0.009 0.000 0.808 453 L CB -0.391 41.670 42.059 0.003 0.000 0.928 453 L HN 0.291 nan 8.230 nan 0.000 0.448 454 V N -1.391 118.536 119.914 0.022 0.000 3.125 454 V HA -0.030 4.085 4.120 -0.009 0.000 0.249 454 V C 2.305 178.433 176.094 0.057 0.000 1.113 454 V CA 0.669 63.023 62.300 0.089 0.000 1.106 454 V CB -0.317 31.551 31.823 0.074 0.000 0.768 454 V HN 0.343 nan 8.190 nan 0.000 0.468 455 R N 0.959 121.466 120.500 0.011 0.000 2.235 455 R HA -0.066 4.268 4.340 -0.009 0.000 0.213 455 R C 2.381 178.714 176.300 0.055 0.000 1.059 455 R CA 1.443 57.556 56.100 0.021 0.000 0.997 455 R CB -0.077 30.218 30.300 -0.008 0.000 0.884 455 R HN 0.682 nan 8.270 nan 0.000 0.462 456 S N -0.240 115.502 115.700 0.070 0.000 2.502 456 S HA 0.040 4.504 4.470 -0.009 0.000 0.228 456 S C 1.929 176.619 174.600 0.149 0.000 1.061 456 S CA -0.134 58.122 58.200 0.094 0.000 0.935 456 S CB 0.147 63.386 63.200 0.065 0.000 0.809 456 S HN 0.021 nan 8.310 nan 0.000 0.510 457 I N 3.770 124.437 120.570 0.161 0.000 2.286 457 I HA -0.085 4.080 4.170 -0.009 0.000 0.245 457 I C 2.973 179.256 176.117 0.276 0.000 1.104 457 I CA 1.818 63.253 61.300 0.225 0.000 1.397 457 I CB -2.553 35.561 38.000 0.190 0.000 1.072 457 I HN 0.565 nan 8.210 nan 0.000 0.417 458 T N -0.230 114.435 114.554 0.184 0.000 2.699 458 T HA -0.238 4.106 4.350 -0.009 0.000 0.268 458 T C 2.167 176.958 174.700 0.152 0.000 1.036 458 T CA 1.792 63.979 62.100 0.145 0.000 1.147 458 T CB -1.250 67.669 68.868 0.085 0.000 0.862 458 T HN 0.311 nan 8.240 nan 0.000 0.446 459 C N 0.124 119.521 119.300 0.162 0.000 2.393 459 C HA -0.066 4.389 4.460 -0.009 0.000 0.276 459 C C 2.409 177.517 174.990 0.198 0.000 1.215 459 C CA 0.573 59.691 59.018 0.167 0.000 1.743 459 C CB -1.697 26.143 27.740 0.166 0.000 2.044 459 C HN 0.857 nan 8.230 nan 0.000 0.464 460 W N 1.488 122.829 121.300 0.069 0.000 2.379 460 W HA -0.134 4.520 4.660 -0.010 0.000 0.307 460 W C 2.413 178.972 176.519 0.065 0.000 1.200 460 W CA 2.171 59.552 57.345 0.059 0.000 1.297 460 W CB -0.749 28.739 29.460 0.047 0.000 1.140 460 W HN 0.207 nan 8.180 nan 0.000 0.507 461 T N 1.892 116.506 114.554 0.100 0.000 2.720 461 T HA -0.260 4.084 4.350 -0.009 0.000 0.268 461 T C 1.901 176.581 174.700 -0.033 0.000 1.037 461 T CA 1.952 63.991 62.100 -0.102 0.000 1.144 461 T CB -0.687 68.280 68.868 0.164 0.000 0.864 461 T HN 0.160 nan 8.240 nan 0.000 0.444 462 L N 1.449 122.705 121.223 0.054 0.000 2.012 462 L HA -0.155 4.180 4.340 -0.009 0.000 0.210 462 L C 2.920 179.812 176.870 0.038 0.000 1.073 462 L CA 1.644 56.541 54.840 0.096 0.000 0.748 462 L CB -0.696 41.421 42.059 0.096 0.000 0.891 462 L HN 0.392 nan 8.230 nan 0.000 0.431 463 S N -0.350 115.315 115.700 -0.059 0.000 2.440 463 S HA -0.195 4.270 4.470 -0.009 0.000 0.238 463 S C 1.979 176.451 174.600 -0.214 0.000 1.010 463 S CA 0.804 58.941 58.200 -0.105 0.000 0.972 463 S CB -0.436 62.708 63.200 -0.093 0.000 0.774 463 S HN 0.387 nan 8.310 nan 0.000 0.501 464 R N -0.601 119.662 120.500 -0.394 0.000 2.235 464 R HA 0.075 4.410 4.340 -0.009 0.000 0.213 464 R C 0.727 176.695 176.300 -0.555 0.000 1.059 464 R CA 1.002 56.763 56.100 -0.565 0.000 0.997 464 R CB -0.248 29.528 30.300 -0.872 0.000 0.884 464 R HN 0.616 nan 8.270 nan 0.000 0.462 465 Y N -0.910 119.328 120.300 -0.104 0.000 2.481 465 Y HA 0.274 4.819 4.550 -0.008 0.000 0.247 465 Y C 1.987 177.931 175.900 0.073 0.000 1.151 465 Y CA -0.085 58.018 58.100 0.006 0.000 1.238 465 Y CB 0.276 38.741 38.460 0.007 0.000 1.179 465 Y HN -0.012 nan 8.280 nan 0.000 0.524 466 A N 0.359 123.245 122.820 0.110 0.000 1.954 466 A HA -0.392 3.922 4.320 -0.009 0.000 0.222 466 A C 1.885 179.519 177.584 0.082 0.000 1.199 466 A CA 2.723 54.799 52.037 0.066 0.000 0.657 466 A CB -0.985 18.015 19.000 -0.000 0.000 0.823 466 A HN 0.652 nan 8.150 nan 0.000 0.463 467 H N -2.594 116.499 119.070 0.039 0.000 2.319 467 H HA -0.212 4.338 4.556 -0.009 0.000 0.299 467 H C 1.762 177.148 175.328 0.097 0.000 1.092 467 H CA 2.404 58.477 56.048 0.043 0.000 1.302 467 H CB -0.458 29.323 29.762 0.033 0.000 1.373 467 H HN 0.687 nan 8.280 nan 0.000 0.497 468 W N 0.522 121.813 121.300 -0.015 0.000 2.355 468 W HA -0.209 4.445 4.660 -0.010 0.000 0.309 468 W C 2.329 178.762 176.519 -0.144 0.000 1.206 468 W CA 2.058 59.353 57.345 -0.082 0.000 1.284 468 W CB -0.816 28.650 29.460 0.009 0.000 1.145 468 W HN 0.066 nan 8.180 nan 0.000 0.502 469 V N 0.439 120.300 119.914 -0.088 0.000 2.317 469 V HA -0.380 3.734 4.120 -0.009 0.000 0.251 469 V C 2.127 178.055 176.094 -0.278 0.000 1.065 469 V CA 2.152 64.299 62.300 -0.255 0.000 1.049 469 V CB -1.263 30.548 31.823 -0.020 0.000 0.651 469 V HN 0.162 nan 8.190 nan 0.000 0.450 470 V N 0.657 120.436 119.914 -0.226 0.000 2.427 470 V HA -0.211 3.903 4.120 -0.009 0.000 0.248 470 V C 2.636 178.574 176.094 -0.260 0.000 1.051 470 V CA 2.078 64.254 62.300 -0.207 0.000 1.048 470 V CB -0.775 30.945 31.823 -0.173 0.000 0.666 470 V HN 0.793 nan 8.190 nan 0.000 0.456 471 S N -0.601 114.872 115.700 -0.378 0.000 2.382 471 S HA -0.133 4.332 4.470 -0.009 0.000 0.228 471 S C 1.103 175.525 174.600 -0.297 0.000 1.027 471 S CA 0.639 58.638 58.200 -0.335 0.000 0.991 471 S CB -0.359 62.629 63.200 -0.353 0.000 0.823 471 S HN 0.608 nan 8.310 nan 0.000 0.469 472 Q N 2.492 122.040 119.800 -0.420 0.000 2.299 472 Q HA 0.391 4.725 4.340 -0.009 0.000 0.246 472 Q C -2.672 173.250 176.000 -0.130 0.000 0.935 472 Q CA -2.747 52.886 55.803 -0.284 0.000 0.887 472 Q CB -0.474 28.027 28.738 -0.395 0.000 1.223 472 Q HN 0.225 nan 8.270 nan 0.000 0.439 473 P HA -0.093 nan 4.420 nan 0.000 0.248 473 P C -1.949 175.310 177.300 -0.068 0.000 1.127 473 P CA -0.424 62.636 63.100 -0.068 0.000 0.801 473 P CB -0.264 31.394 31.700 -0.069 0.000 0.732 474 P HA -0.209 nan 4.420 nan 0.000 0.220 474 P C 0.451 177.734 177.300 -0.028 0.000 1.142 474 P CA 1.555 64.643 63.100 -0.020 0.000 0.801 474 P CB -0.013 31.703 31.700 0.027 0.000 0.764 475 D N -2.650 117.717 120.400 -0.056 0.000 2.277 475 D HA -0.064 4.571 4.640 -0.009 0.000 0.209 475 D C 1.714 177.924 176.300 -0.149 0.000 0.970 475 D CA 0.956 54.914 54.000 -0.070 0.000 0.874 475 D CB -0.865 39.903 40.800 -0.054 0.000 0.982 475 D HN 0.104 nan 8.370 nan 0.000 0.504 476 T N -0.587 113.813 114.554 -0.257 0.000 2.684 476 T HA -0.180 4.164 4.350 -0.009 0.000 0.267 476 T C 1.097 175.409 174.700 -0.648 0.000 1.036 476 T CA 1.428 63.193 62.100 -0.559 0.000 1.148 476 T CB -0.293 68.036 68.868 -0.899 0.000 0.863 476 T HN 0.325 nan 8.240 nan 0.000 0.436 477 Y N -1.036 119.224 120.300 -0.066 0.000 2.820 477 Y HA 0.411 4.955 4.550 -0.010 0.000 0.261 477 Y C 1.814 177.682 175.900 -0.053 0.000 1.123 477 Y CA -0.748 57.325 58.100 -0.046 0.000 1.217 477 Y CB -0.470 37.946 38.460 -0.073 0.000 1.432 477 Y HN -0.008 nan 8.280 nan 0.000 0.461 478 L N 1.686 122.958 121.223 0.081 0.000 2.012 478 L HA -0.148 4.186 4.340 -0.009 0.000 0.210 478 L C 2.193 179.029 176.870 -0.058 0.000 1.073 478 L CA 2.074 56.914 54.840 -0.000 0.000 0.748 478 L CB -0.568 41.469 42.059 -0.037 0.000 0.891 478 L HN 0.161 nan 8.230 nan 0.000 0.431 479 K N -0.370 119.974 120.400 -0.095 0.000 2.026 479 K HA -0.091 4.223 4.320 -0.009 0.000 0.208 479 K C -0.474 176.066 176.600 -0.101 0.000 1.048 479 K CA 1.587 57.767 56.287 -0.179 0.000 0.929 479 K CB -1.045 31.374 32.500 -0.134 0.000 0.713 479 K HN 0.375 nan 8.250 nan 0.000 0.439 480 P HA -0.159 nan 4.420 nan 0.000 0.217 480 P C 1.606 178.926 177.300 0.034 0.000 1.151 480 P CA 0.887 63.987 63.100 0.000 0.000 0.828 480 P CB -0.060 31.648 31.700 0.013 0.000 0.788 481 L N -0.537 120.718 121.223 0.053 0.000 1.989 481 L HA -0.109 4.226 4.340 -0.009 0.000 0.211 481 L C 2.626 179.559 176.870 0.106 0.000 1.071 481 L CA 1.961 56.851 54.840 0.083 0.000 0.749 481 L CB -1.390 40.724 42.059 0.092 0.000 0.890 481 L HN -0.171 nan 8.230 nan 0.000 0.431 482 M N -1.198 118.455 119.600 0.089 0.000 2.195 482 M HA -0.233 4.241 4.480 -0.009 0.000 0.260 482 M C 1.798 178.188 176.300 0.150 0.000 1.066 482 M CA 2.294 57.706 55.300 0.186 0.000 1.089 482 M CB -0.439 32.183 32.600 0.036 0.000 1.377 482 M HN 0.490 nan 8.290 nan 0.000 0.411 483 T N -0.352 114.251 114.554 0.081 0.000 2.770 483 T HA -0.057 4.288 4.350 -0.009 0.000 0.258 483 T C 1.610 176.343 174.700 0.056 0.000 1.039 483 T CA 0.895 63.055 62.100 0.101 0.000 1.143 483 T CB -0.261 68.657 68.868 0.083 0.000 0.866 483 T HN 0.344 nan 8.240 nan 0.000 0.428 484 E N 1.370 121.602 120.200 0.053 0.000 2.077 484 E HA 0.001 4.345 4.350 -0.009 0.000 0.193 484 E C 2.329 178.949 176.600 0.033 0.000 0.989 484 E CA 0.645 57.069 56.400 0.040 0.000 0.800 484 E CB -0.536 29.193 29.700 0.048 0.000 0.746 484 E HN 0.423 nan 8.360 nan 0.000 0.452 485 L N 0.432 121.694 121.223 0.064 0.000 2.012 485 L HA -0.186 4.148 4.340 -0.009 0.000 0.210 485 L C 2.640 179.478 176.870 -0.054 0.000 1.073 485 L CA 0.877 55.759 54.840 0.071 0.000 0.748 485 L CB -0.410 41.784 42.059 0.224 0.000 0.891 485 L HN 0.121 nan 8.230 nan 0.000 0.431 486 L N -0.402 120.724 121.223 -0.161 0.000 2.189 486 L HA -0.270 4.064 4.340 -0.009 0.000 0.214 486 L C 2.522 179.284 176.870 -0.179 0.000 1.097 486 L CA 1.420 56.079 54.840 -0.301 0.000 0.764 486 L CB -0.306 41.550 42.059 -0.339 0.000 0.900 486 L HN 0.269 nan 8.230 nan 0.000 0.436 487 K N -1.081 119.262 120.400 -0.095 0.000 2.116 487 K HA -0.056 4.259 4.320 -0.009 0.000 0.203 487 K C 2.189 178.771 176.600 -0.030 0.000 1.052 487 K CA 0.534 56.784 56.287 -0.062 0.000 0.952 487 K CB -0.015 32.466 32.500 -0.031 0.000 0.729 487 K HN 0.085 nan 8.250 nan 0.000 0.446 488 R N 1.133 121.626 120.500 -0.012 0.000 2.092 488 R HA 0.014 4.348 4.340 -0.009 0.000 0.231 488 R C 2.177 178.500 176.300 0.039 0.000 1.119 488 R CA 1.003 57.114 56.100 0.018 0.000 0.970 488 R CB -0.661 29.661 30.300 0.037 0.000 0.864 488 R HN 0.283 nan 8.270 nan 0.000 0.440 489 I N 0.908 121.489 120.570 0.018 0.000 2.236 489 I HA -0.285 3.879 4.170 -0.009 0.000 0.249 489 I C 1.543 177.737 176.117 0.128 0.000 1.102 489 I CA 1.381 62.722 61.300 0.068 0.000 1.365 489 I CB -0.205 37.762 38.000 -0.055 0.000 1.051 489 I HN 0.062 nan 8.210 nan 0.000 0.420 490 L N 0.035 121.292 121.223 0.058 0.000 2.685 490 L HA 0.115 4.450 4.340 -0.009 0.000 0.233 490 L C 0.764 177.685 176.870 0.086 0.000 1.173 490 L CA -0.317 54.580 54.840 0.096 0.000 0.961 490 L CB -0.480 41.614 42.059 0.059 0.000 1.217 490 L HN 0.190 nan 8.230 nan 0.000 0.478 491 D N 0.386 120.827 120.400 0.069 0.000 2.364 491 D HA -0.078 4.556 4.640 -0.009 0.000 0.236 491 D C 1.254 177.581 176.300 0.044 0.000 1.221 491 D CA 0.612 54.636 54.000 0.041 0.000 0.891 491 D CB 1.342 42.158 40.800 0.027 0.000 1.190 491 D HN 0.168 nan 8.370 nan 0.000 0.449 492 S N 1.182 116.893 115.700 0.019 0.000 2.425 492 S HA -0.096 4.369 4.470 -0.009 0.000 0.225 492 S C 0.798 175.397 174.600 -0.002 0.000 1.024 492 S CA -0.106 58.103 58.200 0.014 0.000 0.951 492 S CB -0.119 63.083 63.200 0.003 0.000 0.796 492 S HN 0.610 nan 8.310 nan 0.000 0.498 493 N N 1.632 120.323 118.700 -0.016 0.000 2.487 493 N HA 0.248 4.982 4.740 -0.009 0.000 0.292 493 N C 0.460 175.943 175.510 -0.045 0.000 1.108 493 N CA -0.754 52.277 53.050 -0.032 0.000 0.956 493 N CB 0.824 39.287 38.487 -0.041 0.000 1.176 493 N HN -0.045 nan 8.380 nan 0.000 0.484 494 K N 1.744 122.104 120.400 -0.065 0.000 2.152 494 K HA -0.136 4.179 4.320 -0.009 0.000 0.206 494 K C 1.525 178.070 176.600 -0.091 0.000 1.048 494 K CA 1.028 57.251 56.287 -0.106 0.000 0.933 494 K CB -0.151 32.286 32.500 -0.105 0.000 0.721 494 K HN 0.606 nan 8.250 nan 0.000 0.447 495 R N 0.751 121.218 120.500 -0.056 0.000 2.115 495 R HA -0.036 4.298 4.340 -0.009 0.000 0.230 495 R C 2.209 178.500 176.300 -0.015 0.000 1.111 495 R CA 0.729 56.808 56.100 -0.034 0.000 0.976 495 R CB 0.053 30.338 30.300 -0.023 0.000 0.870 495 R HN -0.029 nan 8.270 nan 0.000 0.445 496 V N 0.241 120.148 119.914 -0.012 0.000 2.725 496 V HA -0.128 3.986 4.120 -0.009 0.000 0.247 496 V C 2.026 178.136 176.094 0.026 0.000 1.058 496 V CA 1.161 63.470 62.300 0.015 0.000 1.080 496 V CB -0.267 31.563 31.823 0.013 0.000 0.713 496 V HN 0.310 nan 8.190 nan 0.000 0.465 497 Q N 0.289 120.089 119.800 0.001 0.000 2.014 497 Q HA -0.297 4.038 4.340 -0.009 0.000 0.207 497 Q C 2.364 178.356 176.000 -0.013 0.000 0.993 497 Q CA 2.362 58.170 55.803 0.008 0.000 0.850 497 Q CB -0.270 28.395 28.738 -0.122 0.000 0.916 497 Q HN 0.700 nan 8.270 nan 0.000 0.417 498 E N 0.052 120.200 120.200 -0.087 0.000 2.065 498 E HA -0.288 4.056 4.350 -0.009 0.000 0.201 498 E C 1.909 178.532 176.600 0.037 0.000 1.016 498 E CA 1.337 57.707 56.400 -0.051 0.000 0.818 498 E CB -0.146 29.518 29.700 -0.059 0.000 0.749 498 E HN 0.376 nan 8.360 nan 0.000 0.453 499 A N 0.901 123.754 122.820 0.054 0.000 1.902 499 A HA -0.087 4.228 4.320 -0.009 0.000 0.217 499 A C 2.350 180.018 177.584 0.140 0.000 1.181 499 A CA 1.993 54.095 52.037 0.108 0.000 0.623 499 A CB -0.721 18.345 19.000 0.110 0.000 0.818 499 A HN 0.439 nan 8.150 nan 0.000 0.443 500 A N -1.309 121.585 122.820 0.122 0.000 1.855 500 A HA -0.178 4.137 4.320 -0.009 0.000 0.215 500 A C 2.384 180.073 177.584 0.175 0.000 1.191 500 A CA 1.551 53.671 52.037 0.139 0.000 0.613 500 A CB -1.406 17.656 19.000 0.102 0.000 0.829 500 A HN 0.715 nan 8.150 nan 0.000 0.442 501 C N -0.522 118.878 119.300 0.168 0.000 2.422 501 C HA -0.049 4.405 4.460 -0.009 0.000 0.279 501 C C 3.253 178.368 174.990 0.208 0.000 1.305 501 C CA 1.625 60.763 59.018 0.199 0.000 1.757 501 C CB -1.146 26.739 27.740 0.243 0.000 1.962 501 C HN 0.663 nan 8.230 nan 0.000 0.499 502 S N 0.306 116.108 115.700 0.170 0.000 2.357 502 S HA -0.022 4.442 4.470 -0.009 0.000 0.221 502 S C 2.162 176.860 174.600 0.163 0.000 1.031 502 S CA 1.646 59.940 58.200 0.156 0.000 0.982 502 S CB -0.485 62.800 63.200 0.141 0.000 0.853 502 S HN 0.739 nan 8.310 nan 0.000 0.458 503 A N 0.276 123.204 122.820 0.179 0.000 1.972 503 A HA 0.029 4.343 4.320 -0.009 0.000 0.219 503 A C 1.962 179.637 177.584 0.152 0.000 1.169 503 A CA 1.436 53.564 52.037 0.152 0.000 0.635 503 A CB -1.012 18.084 19.000 0.162 0.000 0.810 503 A HN 0.663 nan 8.150 nan 0.000 0.446 504 F N 0.668 120.652 119.950 0.056 0.000 2.186 504 F HA 0.022 4.544 4.527 -0.010 0.000 0.299 504 F C 2.507 178.329 175.800 0.037 0.000 1.090 504 F CA 0.809 58.834 58.000 0.041 0.000 1.307 504 F CB -0.322 38.702 39.000 0.040 0.000 1.019 504 F HN 0.248 nan 8.300 nan 0.000 0.489 505 A N -0.679 122.212 122.820 0.118 0.000 1.933 505 A HA -0.165 4.149 4.320 -0.009 0.000 0.218 505 A C 2.177 179.738 177.584 -0.038 0.000 1.175 505 A CA 2.191 54.251 52.037 0.038 0.000 0.628 505 A CB -1.362 17.696 19.000 0.097 0.000 0.814 505 A HN 0.400 nan 8.150 nan 0.000 0.444 506 T N 0.061 114.604 114.554 -0.019 0.000 2.746 506 T HA -0.142 4.202 4.350 -0.009 0.000 0.267 506 T C 1.811 176.457 174.700 -0.091 0.000 1.039 506 T CA 1.527 63.604 62.100 -0.039 0.000 1.142 506 T CB -0.333 68.519 68.868 -0.026 0.000 0.866 506 T HN 0.289 nan 8.240 nan 0.000 0.444 507 L N 1.215 122.342 121.223 -0.160 0.000 2.027 507 L HA 0.001 4.335 4.340 -0.009 0.000 0.206 507 L C 2.383 179.086 176.870 -0.279 0.000 1.074 507 L CA 1.718 56.422 54.840 -0.227 0.000 0.745 507 L CB -0.614 41.263 42.059 -0.302 0.000 0.898 507 L HN 0.233 nan 8.230 nan 0.000 0.433 508 E N -0.498 119.470 120.200 -0.385 0.000 2.070 508 E HA -0.304 4.040 4.350 -0.009 0.000 0.197 508 E C 2.082 178.600 176.600 -0.137 0.000 1.004 508 E CA 1.823 58.058 56.400 -0.275 0.000 0.805 508 E CB -0.168 29.401 29.700 -0.219 0.000 0.744 508 E HN 0.597 nan 8.360 nan 0.000 0.451 509 E N 0.161 120.302 120.200 -0.098 0.000 2.110 509 E HA -0.178 4.166 4.350 -0.009 0.000 0.193 509 E C 1.978 178.554 176.600 -0.040 0.000 0.988 509 E CA 0.752 57.120 56.400 -0.052 0.000 0.804 509 E CB 0.151 29.831 29.700 -0.034 0.000 0.745 509 E HN 0.131 nan 8.360 nan 0.000 0.458 510 E N -0.516 119.656 120.200 -0.048 0.000 2.299 510 E HA -0.002 4.342 4.350 -0.009 0.000 0.193 510 E C 1.354 177.927 176.600 -0.045 0.000 0.998 510 E CA 0.525 56.917 56.400 -0.014 0.000 0.851 510 E CB 0.405 30.112 29.700 0.010 0.000 0.795 510 E HN 0.181 nan 8.360 nan 0.000 0.492 511 A N -0.149 122.622 122.820 -0.082 0.000 2.308 511 A HA 0.103 4.417 4.320 -0.009 0.000 0.217 511 A C 1.849 179.389 177.584 -0.072 0.000 1.216 511 A CA 0.163 52.148 52.037 -0.086 0.000 0.864 511 A CB -0.408 18.524 19.000 -0.112 0.000 0.902 511 A HN 0.235 nan 8.150 nan 0.000 0.499 512 C N -1.353 117.908 119.300 -0.066 0.000 2.106 512 C HA -0.337 4.117 4.460 -0.009 0.000 0.197 512 C C 2.578 177.517 174.990 -0.085 0.000 1.080 512 C CA 1.923 60.905 59.018 -0.061 0.000 1.850 512 C CB -1.562 26.155 27.740 -0.040 0.000 1.203 512 C HN 0.576 nan 8.230 nan 0.000 0.309 513 T N 0.377 114.874 114.554 -0.095 0.000 2.995 513 T HA -0.072 4.272 4.350 -0.009 0.000 0.269 513 T C 1.442 176.060 174.700 -0.136 0.000 1.091 513 T CA 1.393 63.395 62.100 -0.165 0.000 1.128 513 T CB -0.379 68.400 68.868 -0.148 0.000 0.891 513 T HN 0.529 nan 8.240 nan 0.000 0.492 514 E N 1.224 121.385 120.200 -0.066 0.000 2.396 514 E HA -0.021 4.323 4.350 -0.009 0.000 0.200 514 E C 1.694 178.342 176.600 0.079 0.000 1.023 514 E CA 0.592 56.989 56.400 -0.005 0.000 0.857 514 E CB -0.185 29.518 29.700 0.004 0.000 0.775 514 E HN 0.542 nan 8.360 nan 0.000 0.525 515 L N -0.094 121.155 121.223 0.042 0.000 2.567 515 L HA 0.011 4.345 4.340 -0.009 0.000 0.225 515 L C 2.090 179.002 176.870 0.070 0.000 1.119 515 L CA -0.097 54.832 54.840 0.150 0.000 0.871 515 L CB 0.011 42.113 42.059 0.071 0.000 1.036 515 L HN -0.089 nan 8.230 nan 0.000 0.459 516 V N 0.518 120.391 119.914 -0.068 0.000 2.407 516 V HA -0.155 3.959 4.120 -0.009 0.000 0.248 516 V C -0.057 175.982 176.094 -0.093 0.000 1.055 516 V CA 1.684 63.926 62.300 -0.096 0.000 1.049 516 V CB -1.581 30.134 31.823 -0.179 0.000 0.662 516 V HN 0.389 nan 8.190 nan 0.000 0.455 517 P HA -0.132 nan 4.420 nan 0.000 0.223 517 P C 0.756 177.695 177.300 -0.601 0.000 1.144 517 P CA 1.552 64.347 63.100 -0.508 0.000 0.783 517 P CB -0.122 31.045 31.700 -0.888 0.000 0.771 518 Y N -3.106 117.217 120.300 0.039 0.000 2.500 518 Y HA 0.265 4.809 4.550 -0.009 0.000 0.246 518 Y C 1.963 177.924 175.900 0.102 0.000 1.146 518 Y CA -0.431 57.721 58.100 0.088 0.000 1.230 518 Y CB -0.539 37.990 38.460 0.115 0.000 1.214 518 Y HN -0.225 nan 8.280 nan 0.000 0.526 519 L N 0.258 121.534 121.223 0.089 0.000 2.034 519 L HA -0.363 3.971 4.340 -0.009 0.000 0.217 519 L C 2.576 179.394 176.870 -0.086 0.000 1.077 519 L CA 1.802 56.569 54.840 -0.121 0.000 0.769 519 L CB -0.402 41.333 42.059 -0.540 0.000 0.890 519 L HN 0.417 nan 8.230 nan 0.000 0.435 520 A N -1.650 121.232 122.820 0.104 0.000 1.929 520 A HA -0.256 4.058 4.320 -0.009 0.000 0.216 520 A C 2.080 179.783 177.584 0.199 0.000 1.176 520 A CA 1.262 53.436 52.037 0.228 0.000 0.628 520 A CB -0.748 18.459 19.000 0.345 0.000 0.816 520 A HN 0.457 nan 8.150 nan 0.000 0.444 521 Y N 0.457 120.813 120.300 0.092 0.000 2.114 521 Y HA -0.168 4.376 4.550 -0.010 0.000 0.284 521 Y C 2.055 177.977 175.900 0.035 0.000 1.143 521 Y CA 1.676 59.820 58.100 0.075 0.000 1.135 521 Y CB -0.350 38.188 38.460 0.131 0.000 0.980 521 Y HN 0.262 nan 8.280 nan 0.000 0.499 522 I N -0.476 120.174 120.570 0.133 0.000 2.163 522 I HA -0.356 3.808 4.170 -0.009 0.000 0.243 522 I C 2.423 178.504 176.117 -0.060 0.000 1.085 522 I CA 1.348 62.655 61.300 0.012 0.000 1.347 522 I CB -0.499 37.607 38.000 0.177 0.000 1.044 522 I HN 0.233 nan 8.210 nan 0.000 0.408 523 L N 0.329 121.540 121.223 -0.021 0.000 2.191 523 L HA -0.263 4.072 4.340 -0.009 0.000 0.212 523 L C 2.128 178.980 176.870 -0.031 0.000 1.103 523 L CA 1.501 56.326 54.840 -0.025 0.000 0.769 523 L CB -0.592 41.457 42.059 -0.016 0.000 0.908 523 L HN 0.359 nan 8.230 nan 0.000 0.438 524 D N -0.628 119.742 120.400 -0.051 0.000 2.097 524 D HA -0.178 4.456 4.640 -0.009 0.000 0.195 524 D C 1.945 178.204 176.300 -0.069 0.000 0.989 524 D CA 1.786 55.751 54.000 -0.058 0.000 0.827 524 D CB 0.218 40.958 40.800 -0.101 0.000 0.966 524 D HN 0.096 nan 8.370 nan 0.000 0.456 525 T N 0.005 114.462 114.554 -0.162 0.000 2.857 525 T HA -0.025 4.320 4.350 -0.009 0.000 0.266 525 T C 2.031 176.689 174.700 -0.069 0.000 1.048 525 T CA 0.724 62.737 62.100 -0.145 0.000 1.139 525 T CB -0.199 68.504 68.868 -0.275 0.000 0.874 525 T HN 0.135 nan 8.240 nan 0.000 0.455 526 L N 0.677 121.841 121.223 -0.098 0.000 2.027 526 L HA -0.049 4.285 4.340 -0.009 0.000 0.206 526 L C 2.671 179.537 176.870 -0.007 0.000 1.074 526 L CA 0.879 55.673 54.840 -0.076 0.000 0.745 526 L CB -0.809 41.228 42.059 -0.035 0.000 0.898 526 L HN 0.103 nan 8.230 nan 0.000 0.433 527 V N -0.410 119.505 119.914 0.003 0.000 2.469 527 V HA -0.311 3.804 4.120 -0.009 0.000 0.251 527 V C 2.217 178.338 176.094 0.046 0.000 1.064 527 V CA 1.881 64.176 62.300 -0.009 0.000 1.066 527 V CB -0.571 31.232 31.823 -0.034 0.000 0.667 527 V HN 0.329 nan 8.190 nan 0.000 0.461 528 F N 1.253 121.158 119.950 -0.074 0.000 2.128 528 F HA -0.011 4.510 4.527 -0.009 0.000 0.295 528 F C 2.322 178.060 175.800 -0.105 0.000 1.100 528 F CA 1.246 59.201 58.000 -0.075 0.000 1.260 528 F CB -0.512 38.431 39.000 -0.096 0.000 1.009 528 F HN 0.074 nan 8.300 nan 0.000 0.476 529 A N -0.104 122.643 122.820 -0.122 0.000 1.986 529 A HA -0.272 4.042 4.320 -0.009 0.000 0.220 529 A C 2.134 179.425 177.584 -0.488 0.000 1.171 529 A CA 1.705 53.462 52.037 -0.467 0.000 0.640 529 A CB -1.721 16.802 19.000 -0.795 0.000 0.811 529 A HN 0.501 nan 8.150 nan 0.000 0.451 530 F N 0.895 120.602 119.950 -0.405 0.000 2.192 530 F HA -0.210 4.311 4.527 -0.010 0.000 0.301 530 F C 2.633 178.288 175.800 -0.241 0.000 1.079 530 F CA 1.978 59.805 58.000 -0.289 0.000 1.303 530 F CB 0.018 38.896 39.000 -0.203 0.000 1.024 530 F HN 0.220 nan 8.300 nan 0.000 0.494 531 S N -0.912 114.694 115.700 -0.157 0.000 2.425 531 S HA -0.074 4.390 4.470 -0.009 0.000 0.225 531 S C 1.858 176.327 174.600 -0.218 0.000 1.024 531 S CA 0.620 58.694 58.200 -0.209 0.000 0.951 531 S CB -0.010 62.978 63.200 -0.355 0.000 0.796 531 S HN 0.310 nan 8.310 nan 0.000 0.498 532 K N -0.010 120.232 120.400 -0.262 0.000 2.005 532 K HA 0.069 4.384 4.320 -0.009 0.000 0.206 532 K C -0.090 176.535 176.600 0.042 0.000 1.044 532 K CA 0.438 56.665 56.287 -0.100 0.000 0.942 532 K CB -0.209 32.265 32.500 -0.044 0.000 0.727 532 K HN 0.191 nan 8.250 nan 0.000 0.439 533 Y N 2.630 122.826 120.300 -0.174 0.000 2.903 533 Y HA -0.134 4.410 4.550 -0.010 0.000 0.338 533 Y C 1.065 176.860 175.900 -0.175 0.000 1.265 533 Y CA 0.348 58.341 58.100 -0.179 0.000 1.532 533 Y CB 0.076 38.387 38.460 -0.250 0.000 1.293 533 Y HN 0.145 nan 8.280 nan 0.000 0.609 534 Q N 1.033 120.808 119.800 -0.042 0.000 2.240 534 Q HA 0.104 4.438 4.340 -0.009 0.000 0.260 534 Q C 1.558 177.527 176.000 -0.052 0.000 1.018 534 Q CA -0.726 55.052 55.803 -0.041 0.000 0.898 534 Q CB 0.802 29.522 28.738 -0.029 0.000 1.301 534 Q HN 0.831 nan 8.270 nan 0.000 0.469 535 H N 1.639 120.663 119.070 -0.077 0.000 2.297 535 H HA -0.248 4.302 4.556 -0.009 0.000 0.289 535 H C 1.732 177.022 175.328 -0.063 0.000 1.105 535 H CA 2.703 58.716 56.048 -0.058 0.000 1.219 535 H CB 0.387 30.127 29.762 -0.037 0.000 1.351 535 H HN 0.526 nan 8.280 nan 0.000 0.481 536 K N 0.111 120.510 120.400 -0.003 0.000 2.001 536 K HA -0.178 4.136 4.320 -0.009 0.000 0.214 536 K C 1.797 178.302 176.600 -0.158 0.000 1.050 536 K CA 1.926 58.181 56.287 -0.052 0.000 0.934 536 K CB -0.115 32.369 32.500 -0.027 0.000 0.718 536 K HN 0.280 nan 8.250 nan 0.000 0.443 537 N N 1.027 119.579 118.700 -0.246 0.000 2.409 537 N HA -0.090 4.644 4.740 -0.009 0.000 0.179 537 N C 1.633 177.000 175.510 -0.239 0.000 1.032 537 N CA 0.375 53.207 53.050 -0.364 0.000 0.898 537 N CB -0.229 37.773 38.487 -0.809 0.000 0.971 537 N HN 0.151 nan 8.380 nan 0.000 0.441 538 L N 1.069 122.169 121.223 -0.206 0.000 2.042 538 L HA -0.085 4.249 4.340 -0.009 0.000 0.210 538 L C 1.863 178.592 176.870 -0.234 0.000 1.076 538 L CA 1.317 56.015 54.840 -0.236 0.000 0.749 538 L CB -0.493 41.360 42.059 -0.343 0.000 0.893 538 L HN 0.118 nan 8.230 nan 0.000 0.432 539 L N -0.914 120.228 121.223 -0.135 0.000 2.043 539 L HA -0.288 4.046 4.340 -0.009 0.000 0.212 539 L C 2.445 179.365 176.870 0.084 0.000 1.075 539 L CA 1.631 56.495 54.840 0.039 0.000 0.752 539 L CB -0.659 41.375 42.059 -0.042 0.000 0.891 539 L HN 0.313 nan 8.230 nan 0.000 0.432 540 I N -0.855 119.733 120.570 0.030 0.000 2.493 540 I HA -0.244 3.920 4.170 -0.009 0.000 0.254 540 I C 2.444 178.632 176.117 0.119 0.000 1.160 540 I CA 0.658 62.003 61.300 0.076 0.000 1.445 540 I CB -0.203 37.829 38.000 0.054 0.000 1.086 540 I HN 0.253 nan 8.210 nan 0.000 0.433 541 L N 0.763 122.045 121.223 0.097 0.000 2.007 541 L HA -0.180 4.155 4.340 -0.009 0.000 0.205 541 L C 2.454 179.381 176.870 0.095 0.000 1.073 541 L CA 1.904 56.787 54.840 0.072 0.000 0.744 541 L CB -0.997 41.032 42.059 -0.051 0.000 0.898 541 L HN 0.115 nan 8.230 nan 0.000 0.435 542 Y N -0.228 120.132 120.300 0.100 0.000 2.132 542 Y HA -0.375 4.170 4.550 -0.009 0.000 0.280 542 Y C 2.618 178.581 175.900 0.105 0.000 1.193 542 Y CA 1.450 59.626 58.100 0.127 0.000 1.157 542 Y CB -0.390 38.123 38.460 0.088 0.000 0.966 542 Y HN 0.391 nan 8.280 nan 0.000 0.511 543 D N 0.010 120.559 120.400 0.248 0.000 2.097 543 D HA -0.178 4.456 4.640 -0.009 0.000 0.195 543 D C 2.235 178.624 176.300 0.149 0.000 0.989 543 D CA 1.432 55.530 54.000 0.164 0.000 0.827 543 D CB -0.340 40.537 40.800 0.129 0.000 0.966 543 D HN 0.272 nan 8.370 nan 0.000 0.456 544 A N 0.585 123.501 122.820 0.160 0.000 1.908 544 A HA -0.149 4.166 4.320 -0.009 0.000 0.218 544 A C 2.630 180.313 177.584 0.164 0.000 1.181 544 A CA 1.533 53.674 52.037 0.174 0.000 0.627 544 A CB -0.839 18.282 19.000 0.203 0.000 0.818 544 A HN 0.399 nan 8.150 nan 0.000 0.445 545 I N -0.592 120.078 120.570 0.166 0.000 2.315 545 I HA -0.148 4.016 4.170 -0.009 0.000 0.248 545 I C 2.613 178.805 176.117 0.126 0.000 1.117 545 I CA 1.054 62.444 61.300 0.150 0.000 1.404 545 I CB -0.464 37.647 38.000 0.185 0.000 1.071 545 I HN 0.395 nan 8.210 nan 0.000 0.419 546 G N -0.173 108.707 108.800 0.134 0.000 2.408 546 G HA2 -0.154 3.800 3.960 -0.009 0.000 0.215 546 G HA3 -0.154 3.800 3.960 -0.009 0.000 0.215 546 G C 1.653 176.593 174.900 0.067 0.000 1.156 546 G CA 0.927 46.084 45.100 0.095 0.000 0.793 546 G HN 0.231 nan 8.290 nan 0.000 0.535 547 T N 1.072 115.669 114.554 0.072 0.000 2.915 547 T HA -0.077 4.268 4.350 -0.009 0.000 0.269 547 T C 2.200 176.919 174.700 0.032 0.000 1.071 547 T CA 0.959 63.086 62.100 0.045 0.000 1.132 547 T CB -0.116 68.778 68.868 0.044 0.000 0.878 547 T HN 0.132 nan 8.240 nan 0.000 0.479 548 L N 1.630 122.884 121.223 0.053 0.000 1.988 548 L HA 0.105 4.440 4.340 -0.009 0.000 0.207 548 L C 2.670 179.554 176.870 0.023 0.000 1.071 548 L CA 2.047 56.911 54.840 0.040 0.000 0.744 548 L CB -1.182 40.919 42.059 0.071 0.000 0.893 548 L HN 0.201 nan 8.230 nan 0.000 0.433 549 A N -0.732 122.109 122.820 0.035 0.000 1.917 549 A HA -0.276 4.038 4.320 -0.009 0.000 0.219 549 A C 2.011 179.613 177.584 0.030 0.000 1.182 549 A CA 2.175 54.232 52.037 0.034 0.000 0.633 549 A CB -0.984 18.040 19.000 0.041 0.000 0.819 549 A HN 0.590 nan 8.150 nan 0.000 0.448 550 D N -0.433 119.982 120.400 0.025 0.000 2.097 550 D HA -0.059 4.576 4.640 -0.009 0.000 0.197 550 D C 2.299 178.608 176.300 0.016 0.000 0.984 550 D CA 1.614 55.625 54.000 0.019 0.000 0.826 550 D CB -0.369 40.437 40.800 0.011 0.000 0.973 550 D HN 0.379 nan 8.370 nan 0.000 0.460 551 S N -0.429 115.274 115.700 0.004 0.000 2.406 551 S HA -0.045 4.419 4.470 -0.009 0.000 0.228 551 S C 2.069 176.659 174.600 -0.017 0.000 1.020 551 S CA 0.297 58.490 58.200 -0.011 0.000 0.965 551 S CB 0.201 63.382 63.200 -0.032 0.000 0.798 551 S HN 0.061 nan 8.310 nan 0.000 0.488 552 V N 0.284 120.190 119.914 -0.013 0.000 3.174 552 V HA 0.218 4.332 4.120 -0.009 0.000 0.254 552 V C 1.627 177.742 176.094 0.036 0.000 1.120 552 V CA 0.795 63.077 62.300 -0.031 0.000 1.114 552 V CB -0.775 31.019 31.823 -0.049 0.000 0.756 552 V HN 0.613 nan 8.190 nan 0.000 0.467 553 G N 1.474 110.311 108.800 0.061 0.000 2.591 553 G HA2 -0.433 3.521 3.960 -0.009 0.000 0.298 553 G HA3 -0.433 3.521 3.960 -0.009 0.000 0.298 553 G C 0.964 175.936 174.900 0.119 0.000 1.195 553 G CA 0.793 45.962 45.100 0.114 0.000 0.989 553 G HN 0.648 nan 8.290 nan 0.000 0.551 554 H N 0.738 119.877 119.070 0.115 0.000 2.457 554 H HA -0.018 4.532 4.556 -0.009 0.000 0.294 554 H C 2.049 177.422 175.328 0.074 0.000 1.064 554 H CA 1.830 57.916 56.048 0.063 0.000 1.330 554 H CB -0.766 28.994 29.762 -0.004 0.000 1.395 554 H HN 0.758 nan 8.280 nan 0.000 0.541 555 H N 0.233 119.007 119.070 -0.492 0.000 2.541 555 H HA -0.072 4.479 4.556 -0.009 0.000 0.289 555 H C 1.821 177.182 175.328 0.055 0.000 1.054 555 H CA 0.914 56.815 56.048 -0.245 0.000 1.250 555 H CB 0.178 29.795 29.762 -0.241 0.000 1.369 555 H HN 0.302 nan 8.280 nan 0.000 0.578 556 L N 1.067 122.390 121.223 0.167 0.000 2.554 556 L HA -0.013 4.321 4.340 -0.009 0.000 0.226 556 L C 1.156 178.214 176.870 0.315 0.000 1.137 556 L CA 0.431 55.409 54.840 0.230 0.000 0.863 556 L CB -0.071 42.057 42.059 0.114 0.000 0.985 556 L HN -0.004 nan 8.230 nan 0.000 0.451 557 N N 0.966 119.799 118.700 0.222 0.000 2.878 557 N HA 0.032 4.767 4.740 -0.009 0.000 0.282 557 N C -0.769 174.810 175.510 0.114 0.000 1.284 557 N CA 0.243 53.396 53.050 0.172 0.000 1.053 557 N CB -0.250 38.327 38.487 0.149 0.000 1.382 557 N HN 0.245 nan 8.380 nan 0.000 0.529 558 K N -0.149 120.306 120.400 0.091 0.000 2.270 558 K HA 0.358 4.672 4.320 -0.009 0.000 0.255 558 K C -1.748 174.781 176.600 -0.118 0.000 0.936 558 K CA -2.017 54.206 56.287 -0.107 0.000 0.809 558 K CB 2.053 34.327 32.500 -0.376 0.000 1.131 558 K HN -0.117 nan 8.250 nan 0.000 0.427 559 P HA -0.235 nan 4.420 nan 0.000 0.218 559 P C 0.842 178.111 177.300 -0.051 0.000 1.148 559 P CA 1.123 64.200 63.100 -0.039 0.000 0.822 559 P CB 0.340 32.016 31.700 -0.039 0.000 0.784 560 E N -1.133 118.976 120.200 -0.152 0.000 2.023 560 E HA -0.226 4.118 4.350 -0.009 0.000 0.196 560 E C 1.759 178.380 176.600 0.036 0.000 1.003 560 E CA 1.278 57.614 56.400 -0.106 0.000 0.809 560 E CB -0.388 29.192 29.700 -0.201 0.000 0.755 560 E HN 0.165 nan 8.360 nan 0.000 0.449 561 Y N 0.694 121.017 120.300 0.037 0.000 2.070 561 Y HA -0.201 4.343 4.550 -0.009 0.000 0.280 561 Y C 2.429 178.344 175.900 0.025 0.000 1.148 561 Y CA 0.950 59.071 58.100 0.036 0.000 1.125 561 Y CB -0.983 37.505 38.460 0.047 0.000 0.975 561 Y HN 0.101 nan 8.280 nan 0.000 0.492 562 I N -0.177 120.515 120.570 0.204 0.000 2.248 562 I HA -0.343 3.822 4.170 -0.009 0.000 0.248 562 I C 2.426 178.587 176.117 0.072 0.000 1.107 562 I CA 1.373 62.744 61.300 0.119 0.000 1.373 562 I CB -0.433 37.654 38.000 0.145 0.000 1.055 562 I HN 0.218 nan 8.210 nan 0.000 0.418 563 Q N 0.013 119.859 119.800 0.077 0.000 2.124 563 Q HA -0.136 4.198 4.340 -0.009 0.000 0.202 563 Q C 2.245 178.264 176.000 0.032 0.000 0.977 563 Q CA 1.681 57.516 55.803 0.053 0.000 0.850 563 Q CB -0.215 28.548 28.738 0.041 0.000 0.901 563 Q HN 0.591 nan 8.270 nan 0.000 0.429 564 M N -0.958 118.671 119.600 0.048 0.000 2.160 564 M HA -0.102 4.372 4.480 -0.009 0.000 0.264 564 M C 1.980 178.262 176.300 -0.030 0.000 1.073 564 M CA 0.817 56.132 55.300 0.025 0.000 1.142 564 M CB -0.252 32.384 32.600 0.060 0.000 1.358 564 M HN 0.115 nan 8.290 nan 0.000 0.422 565 L N 0.337 121.542 121.223 -0.030 0.000 2.095 565 L HA -0.029 4.306 4.340 -0.009 0.000 0.204 565 L C 2.275 179.046 176.870 -0.165 0.000 1.080 565 L CA 1.683 56.471 54.840 -0.088 0.000 0.759 565 L CB -0.451 41.588 42.059 -0.034 0.000 0.914 565 L HN 0.201 nan 8.230 nan 0.000 0.439 566 M N -0.069 119.422 119.600 -0.181 0.000 2.077 566 M HA -0.053 4.422 4.480 -0.009 0.000 0.261 566 M C 0.073 176.235 176.300 -0.231 0.000 1.070 566 M CA 1.688 56.804 55.300 -0.307 0.000 1.125 566 M CB -2.462 29.781 32.600 -0.596 0.000 1.339 566 M HN 0.087 nan 8.290 nan 0.000 0.409 567 P HA -0.132 nan 4.420 nan 0.000 0.216 567 P C -1.337 175.894 177.300 -0.115 0.000 1.154 567 P CA 1.768 64.816 63.100 -0.087 0.000 0.865 567 P CB -1.431 30.244 31.700 -0.043 0.000 0.789 568 P HA -0.087 nan 4.420 nan 0.000 0.218 568 P C 1.375 178.449 177.300 -0.377 0.000 1.149 568 P CA 1.168 64.053 63.100 -0.358 0.000 0.817 568 P CB -0.471 30.821 31.700 -0.680 0.000 0.785 569 L N -1.645 119.398 121.223 -0.299 0.000 2.418 569 L HA -0.022 4.312 4.340 -0.009 0.000 0.218 569 L C 1.998 178.927 176.870 0.099 0.000 1.125 569 L CA 0.564 55.368 54.840 -0.059 0.000 0.835 569 L CB -0.489 41.543 42.059 -0.044 0.000 0.953 569 L HN -0.052 nan 8.230 nan 0.000 0.454 570 I N 0.129 120.716 120.570 0.028 0.000 2.584 570 I HA -0.190 3.975 4.170 -0.009 0.000 0.255 570 I C 2.639 178.875 176.117 0.199 0.000 1.145 570 I CA 1.046 62.406 61.300 0.101 0.000 1.462 570 I CB -0.973 37.026 38.000 -0.001 0.000 1.102 570 I HN 0.437 nan 8.210 nan 0.000 0.433 571 Q N 1.636 121.523 119.800 0.146 0.000 2.045 571 Q HA -0.238 4.096 4.340 -0.009 0.000 0.206 571 Q C 2.029 178.154 176.000 0.208 0.000 0.991 571 Q CA 1.732 57.630 55.803 0.159 0.000 0.851 571 Q CB -0.284 28.531 28.738 0.127 0.000 0.911 571 Q HN 0.208 nan 8.270 nan 0.000 0.418 572 K N 0.224 120.784 120.400 0.267 0.000 2.044 572 K HA -0.192 4.123 4.320 -0.009 0.000 0.210 572 K C 1.812 178.573 176.600 0.267 0.000 1.049 572 K CA 1.480 57.944 56.287 0.294 0.000 0.927 572 K CB -0.754 32.006 32.500 0.433 0.000 0.713 572 K HN 0.563 nan 8.250 nan 0.000 0.443 573 W N 2.301 123.675 121.300 0.123 0.000 2.342 573 W HA -0.187 4.468 4.660 -0.010 0.000 0.297 573 W C 1.088 177.659 176.519 0.086 0.000 1.213 573 W CA 1.360 58.766 57.345 0.101 0.000 1.251 573 W CB -0.077 29.438 29.460 0.093 0.000 1.136 573 W HN 0.156 nan 8.180 nan 0.000 0.526 574 N N -0.156 118.721 118.700 0.295 0.000 2.409 574 N HA -0.086 4.648 4.740 -0.009 0.000 0.174 574 N C 1.813 177.378 175.510 0.090 0.000 1.037 574 N CA 1.048 54.207 53.050 0.182 0.000 0.898 574 N CB -0.634 37.980 38.487 0.212 0.000 1.010 574 N HN 0.257 nan 8.380 nan 0.000 0.445 575 M N 0.530 120.189 119.600 0.098 0.000 2.254 575 M HA 0.049 4.524 4.480 -0.009 0.000 0.265 575 M C -0.119 176.202 176.300 0.035 0.000 1.066 575 M CA 0.750 56.091 55.300 0.068 0.000 1.123 575 M CB 0.242 32.895 32.600 0.088 0.000 1.388 575 M HN -0.091 nan 8.290 nan 0.000 0.425 576 L N 2.203 123.437 121.223 0.017 0.000 2.326 576 L HA 0.338 4.672 4.340 -0.009 0.000 0.278 576 L C 0.382 177.209 176.870 -0.072 0.000 1.092 576 L CA -0.625 54.201 54.840 -0.023 0.000 0.810 576 L CB 1.003 43.045 42.059 -0.028 0.000 1.153 576 L HN 0.045 nan 8.230 nan 0.000 0.439 577 K N 0.761 121.128 120.400 -0.054 0.000 2.098 577 K HA 0.229 4.543 4.320 -0.009 0.000 0.258 577 K C 0.344 176.899 176.600 -0.074 0.000 0.973 577 K CA -0.595 55.652 56.287 -0.068 0.000 0.898 577 K CB 0.543 33.015 32.500 -0.046 0.000 1.057 577 K HN 0.644 nan 8.250 nan 0.000 0.447 578 D N 0.687 121.026 120.400 -0.101 0.000 2.354 578 D HA -0.089 4.546 4.640 -0.009 0.000 0.216 578 D C 0.681 176.859 176.300 -0.203 0.000 0.970 578 D CA 1.507 55.434 54.000 -0.121 0.000 0.905 578 D CB 0.362 41.078 40.800 -0.140 0.000 0.903 578 D HN 0.731 nan 8.370 nan 0.000 0.508 579 E N -0.189 119.913 120.200 -0.162 0.000 2.472 579 E HA 0.048 4.393 4.350 -0.009 0.000 0.196 579 E C 0.019 176.641 176.600 0.037 0.000 1.033 579 E CA -0.050 56.220 56.400 -0.217 0.000 0.886 579 E CB 0.335 29.949 29.700 -0.143 0.000 0.944 579 E HN 0.070 nan 8.360 nan 0.000 0.492 580 D N 1.391 121.849 120.400 0.098 0.000 2.338 580 D HA 0.002 4.637 4.640 -0.009 0.000 0.255 580 D C 0.639 176.961 176.300 0.037 0.000 1.237 580 D CA 0.100 54.139 54.000 0.065 0.000 0.883 580 D CB 0.685 41.485 40.800 -0.001 0.000 1.087 580 D HN -0.069 nan 8.370 nan 0.000 0.485 581 K N 2.256 122.593 120.400 -0.105 0.000 2.589 581 K HA -0.151 4.163 4.320 -0.009 0.000 0.195 581 K C 0.082 176.200 176.600 -0.803 0.000 1.040 581 K CA 0.607 56.492 56.287 -0.670 0.000 0.950 581 K CB 0.293 32.568 32.500 -0.374 0.000 0.781 581 K HN 0.337 nan 8.250 nan 0.000 0.486 582 D N -0.022 120.160 120.400 -0.364 0.000 2.328 582 D HA 0.059 4.693 4.640 -0.009 0.000 0.221 582 D C 1.198 177.390 176.300 -0.180 0.000 1.072 582 D CA 0.132 54.026 54.000 -0.178 0.000 0.850 582 D CB 0.327 41.128 40.800 0.002 0.000 0.922 582 D HN 0.130 nan 8.370 nan 0.000 0.516 583 L N -0.720 120.331 121.223 -0.286 0.000 2.307 583 L HA 0.067 4.401 4.340 -0.009 0.000 0.211 583 L C 1.786 178.621 176.870 -0.059 0.000 1.099 583 L CA 0.302 55.059 54.840 -0.139 0.000 0.816 583 L CB -0.126 41.910 42.059 -0.038 0.000 0.952 583 L HN 0.120 nan 8.230 nan 0.000 0.455 584 F N 0.872 120.676 119.950 -0.243 0.000 2.087 584 F HA -0.226 4.295 4.527 -0.010 0.000 0.299 584 F C -0.196 175.479 175.800 -0.208 0.000 1.100 584 F CA 0.717 58.576 58.000 -0.235 0.000 1.226 584 F CB -1.760 37.097 39.000 -0.240 0.000 0.983 584 F HN 0.238 nan 8.300 nan 0.000 0.479 585 P HA -0.066 nan 4.420 nan 0.000 0.222 585 P C 1.672 178.619 177.300 -0.588 0.000 1.157 585 P CA 0.699 63.644 63.100 -0.257 0.000 0.816 585 P CB -0.046 31.523 31.700 -0.218 0.000 0.813 586 L N -0.424 120.383 121.223 -0.692 0.000 2.017 586 L HA -0.124 4.210 4.340 -0.009 0.000 0.208 586 L C 2.210 179.024 176.870 -0.093 0.000 1.073 586 L CA 1.890 56.420 54.840 -0.517 0.000 0.745 586 L CB -1.324 40.646 42.059 -0.148 0.000 0.894 586 L HN -0.174 nan 8.230 nan 0.000 0.432 587 L N -0.339 120.883 121.223 -0.001 0.000 2.044 587 L HA -0.154 4.181 4.340 -0.009 0.000 0.205 587 L C 2.563 179.456 176.870 0.038 0.000 1.075 587 L CA 1.627 56.529 54.840 0.103 0.000 0.747 587 L CB -1.011 41.125 42.059 0.129 0.000 0.903 587 L HN 0.480 nan 8.230 nan 0.000 0.435 588 E N -0.272 119.923 120.200 -0.008 0.000 2.333 588 E HA -0.236 4.108 4.350 -0.009 0.000 0.198 588 E C 2.262 178.861 176.600 -0.001 0.000 1.007 588 E CA 1.231 57.622 56.400 -0.014 0.000 0.845 588 E CB -0.396 29.288 29.700 -0.027 0.000 0.766 588 E HN 0.502 nan 8.360 nan 0.000 0.507 589 C N 0.198 119.496 119.300 -0.002 0.000 2.518 589 C HA 0.037 4.491 4.460 -0.009 0.000 0.279 589 C C 2.353 177.377 174.990 0.057 0.000 1.279 589 C CA 0.238 59.290 59.018 0.057 0.000 1.703 589 C CB -0.956 26.856 27.740 0.119 0.000 2.072 589 C HN 0.525 nan 8.230 nan 0.000 0.487 590 L N 2.317 123.578 121.223 0.063 0.000 2.261 590 L HA -0.033 4.301 4.340 -0.009 0.000 0.216 590 L C 2.707 179.549 176.870 -0.048 0.000 1.114 590 L CA 2.452 57.325 54.840 0.054 0.000 0.777 590 L CB -0.811 41.323 42.059 0.125 0.000 0.910 590 L HN 0.682 nan 8.230 nan 0.000 0.440 591 S N -3.735 111.943 115.700 -0.037 0.000 2.593 591 S HA 0.031 4.496 4.470 -0.009 0.000 0.217 591 S C 1.773 176.332 174.600 -0.069 0.000 0.966 591 S CA 0.672 58.825 58.200 -0.079 0.000 0.914 591 S CB -0.024 63.151 63.200 -0.042 0.000 0.776 591 S HN 0.325 nan 8.310 nan 0.000 0.523 592 S N 0.697 116.376 115.700 -0.036 0.000 2.475 592 S HA 0.176 4.640 4.470 -0.009 0.000 0.224 592 S C 1.709 176.299 174.600 -0.017 0.000 1.042 592 S CA 0.563 58.753 58.200 -0.017 0.000 0.935 592 S CB 0.037 63.245 63.200 0.013 0.000 0.801 592 S HN 0.442 nan 8.310 nan 0.000 0.509 593 V N 2.194 122.096 119.914 -0.020 0.000 2.379 593 V HA -0.042 4.072 4.120 -0.009 0.000 0.245 593 V C 2.623 178.681 176.094 -0.060 0.000 1.044 593 V CA 1.610 63.912 62.300 0.003 0.000 1.036 593 V CB -1.144 30.708 31.823 0.049 0.000 0.664 593 V HN 0.497 nan 8.190 nan 0.000 0.453 594 A N 0.062 122.720 122.820 -0.270 0.000 2.015 594 A HA -0.168 4.147 4.320 -0.009 0.000 0.219 594 A C 2.321 179.773 177.584 -0.219 0.000 1.163 594 A CA 2.233 53.944 52.037 -0.544 0.000 0.646 594 A CB -0.749 17.634 19.000 -1.028 0.000 0.806 594 A HN 0.518 nan 8.150 nan 0.000 0.448 595 T N -0.358 114.128 114.554 -0.114 0.000 3.014 595 T HA 0.219 4.563 4.350 -0.009 0.000 0.263 595 T C 2.154 176.869 174.700 0.025 0.000 1.078 595 T CA 0.969 63.051 62.100 -0.031 0.000 1.135 595 T CB -0.152 68.703 68.868 -0.021 0.000 0.895 595 T HN 0.547 nan 8.240 nan 0.000 0.480 596 A N 1.752 124.591 122.820 0.032 0.000 1.826 596 A HA 0.241 4.556 4.320 -0.009 0.000 0.214 596 A C 1.040 178.692 177.584 0.113 0.000 1.212 596 A CA 0.544 52.627 52.037 0.077 0.000 0.605 596 A CB -0.903 18.137 19.000 0.066 0.000 0.861 596 A HN 0.440 nan 8.150 nan 0.000 0.447 597 L N -0.467 120.830 121.223 0.123 0.000 2.492 597 L HA 0.054 4.389 4.340 -0.009 0.000 0.280 597 L C 1.108 178.065 176.870 0.144 0.000 1.240 597 L CA 0.122 55.064 54.840 0.171 0.000 0.831 597 L CB 0.021 42.235 42.059 0.259 0.000 1.100 597 L HN 0.566 nan 8.230 nan 0.000 0.505 598 Q N 0.119 120.013 119.800 0.156 0.000 1.989 598 Q HA 0.053 4.387 4.340 -0.009 0.000 0.166 598 Q C 1.808 177.901 176.000 0.156 0.000 0.536 598 Q CA 0.400 56.279 55.803 0.126 0.000 0.651 598 Q CB 0.125 28.921 28.738 0.097 0.000 1.468 598 Q HN 0.785 nan 8.270 nan 0.000 0.350 599 S N 0.576 116.350 115.700 0.123 0.000 2.442 599 S HA -0.089 4.376 4.470 -0.009 0.000 0.236 599 S C 1.877 176.555 174.600 0.130 0.000 1.007 599 S CA 1.006 59.273 58.200 0.111 0.000 0.965 599 S CB -0.699 62.544 63.200 0.071 0.000 0.773 599 S HN 0.552 nan 8.310 nan 0.000 0.504 600 G N 0.515 109.408 108.800 0.155 0.000 2.479 600 G HA2 -0.169 3.785 3.960 -0.009 0.000 0.220 600 G HA3 -0.169 3.785 3.960 -0.009 0.000 0.220 600 G C 1.008 176.056 174.900 0.246 0.000 1.115 600 G CA 0.516 45.718 45.100 0.171 0.000 0.757 600 G HN 0.553 nan 8.290 nan 0.000 0.560 601 F N 0.632 120.670 119.950 0.146 0.000 2.710 601 F HA 0.303 4.824 4.527 -0.010 0.000 0.298 601 F C 2.294 178.197 175.800 0.172 0.000 1.137 601 F CA -0.003 58.134 58.000 0.229 0.000 1.444 601 F CB 0.067 39.154 39.000 0.146 0.000 1.111 601 F HN 0.008 nan 8.300 nan 0.000 0.580 602 L N 0.845 122.146 121.223 0.131 0.000 1.997 602 L HA -0.249 4.086 4.340 -0.009 0.000 0.216 602 L C -0.429 176.330 176.870 -0.186 0.000 1.074 602 L CA 1.723 56.569 54.840 0.009 0.000 0.763 602 L CB -1.951 40.108 42.059 0.001 0.000 0.890 602 L HN 0.065 nan 8.230 nan 0.000 0.434 603 P HA -0.191 nan 4.420 nan 0.000 0.222 603 P C 0.466 177.267 177.300 -0.831 0.000 1.142 603 P CA 1.595 64.302 63.100 -0.656 0.000 0.788 603 P CB -0.057 31.076 31.700 -0.946 0.000 0.767 604 Y N -2.666 117.384 120.300 -0.417 0.000 2.483 604 Y HA 0.063 4.607 4.550 -0.009 0.000 0.258 604 Y C 2.527 178.210 175.900 -0.361 0.000 1.083 604 Y CA -0.107 57.655 58.100 -0.564 0.000 1.283 604 Y CB -1.132 36.662 38.460 -1.109 0.000 1.178 604 Y HN 0.071 nan 8.280 nan 0.000 0.515 605 C N 0.342 119.628 119.300 -0.024 0.000 2.425 605 C HA -0.111 4.343 4.460 -0.009 0.000 0.277 605 C C 2.132 177.238 174.990 0.195 0.000 1.280 605 C CA 0.832 60.020 59.018 0.283 0.000 1.744 605 C CB -0.743 27.208 27.740 0.353 0.000 1.989 605 C HN 0.485 nan 8.230 nan 0.000 0.491 606 E N 2.509 122.760 120.200 0.084 0.000 2.033 606 E HA -0.169 4.175 4.350 -0.009 0.000 0.199 606 E C -0.208 176.487 176.600 0.159 0.000 1.011 606 E CA 1.936 58.391 56.400 0.092 0.000 0.815 606 E CB -1.511 28.204 29.700 0.025 0.000 0.755 606 E HN 0.538 nan 8.360 nan 0.000 0.451 607 P HA -0.064 nan 4.420 nan 0.000 0.221 607 P C 1.675 179.129 177.300 0.257 0.000 1.150 607 P CA 0.720 63.922 63.100 0.170 0.000 0.800 607 P CB 0.026 31.789 31.700 0.106 0.000 0.787 608 V N -1.244 118.744 119.914 0.124 0.000 2.343 608 V HA -0.263 3.851 4.120 -0.009 0.000 0.247 608 V C 2.287 178.578 176.094 0.328 0.000 1.051 608 V CA 1.655 64.049 62.300 0.157 0.000 1.036 608 V CB -1.311 30.562 31.823 0.085 0.000 0.654 608 V HN 0.042 nan 8.190 nan 0.000 0.451 609 Y N 1.061 121.470 120.300 0.182 0.000 2.070 609 Y HA -0.266 4.278 4.550 -0.010 0.000 0.279 609 Y C 2.889 178.883 175.900 0.157 0.000 1.134 609 Y CA 2.049 60.241 58.100 0.152 0.000 1.113 609 Y CB -0.245 38.281 38.460 0.110 0.000 0.981 609 Y HN 0.196 nan 8.280 nan 0.000 0.487 610 Q N 0.306 120.320 119.800 0.356 0.000 2.077 610 Q HA -0.288 4.046 4.340 -0.009 0.000 0.206 610 Q C 2.365 178.459 176.000 0.157 0.000 0.989 610 Q CA 2.051 57.998 55.803 0.241 0.000 0.853 610 Q CB -0.736 28.134 28.738 0.220 0.000 0.907 610 Q HN 0.507 nan 8.270 nan 0.000 0.418 611 R N 0.028 120.669 120.500 0.236 0.000 2.148 611 R HA -0.078 4.256 4.340 -0.009 0.000 0.227 611 R C 2.325 178.701 176.300 0.127 0.000 1.103 611 R CA 0.996 57.216 56.100 0.200 0.000 0.983 611 R CB -0.099 30.398 30.300 0.329 0.000 0.874 611 R HN 0.276 nan 8.270 nan 0.000 0.451 612 C N -0.531 118.847 119.300 0.130 0.000 2.462 612 C HA -0.053 4.401 4.460 -0.009 0.000 0.278 612 C C 2.629 177.592 174.990 -0.046 0.000 1.253 612 C CA 0.508 59.548 59.018 0.037 0.000 1.713 612 C CB -0.627 27.106 27.740 -0.012 0.000 2.049 612 C HN 0.310 nan 8.230 nan 0.000 0.477 613 V N 2.026 121.863 119.914 -0.128 0.000 2.287 613 V HA -0.249 3.866 4.120 -0.009 0.000 0.248 613 V C 2.246 178.323 176.094 -0.029 0.000 1.053 613 V CA 2.163 64.397 62.300 -0.110 0.000 1.027 613 V CB -0.778 30.973 31.823 -0.120 0.000 0.646 613 V HN 0.539 nan 8.190 nan 0.000 0.447 614 N N 0.075 118.776 118.700 0.001 0.000 2.104 614 N HA -0.141 4.593 4.740 -0.009 0.000 0.190 614 N C 1.833 177.339 175.510 -0.006 0.000 1.024 614 N CA 1.414 54.469 53.050 0.008 0.000 0.853 614 N CB -0.409 38.092 38.487 0.024 0.000 1.008 614 N HN 0.403 nan 8.380 nan 0.000 0.424 615 L N 0.661 121.886 121.223 0.002 0.000 2.042 615 L HA -0.166 4.169 4.340 -0.009 0.000 0.210 615 L C 2.203 179.077 176.870 0.007 0.000 1.076 615 L CA 1.040 55.885 54.840 0.008 0.000 0.749 615 L CB -0.413 41.686 42.059 0.066 0.000 0.893 615 L HN 0.013 nan 8.230 nan 0.000 0.432 616 V N -0.974 118.942 119.914 0.003 0.000 2.323 616 V HA -0.288 3.826 4.120 -0.009 0.000 0.244 616 V C 2.332 178.421 176.094 -0.009 0.000 1.041 616 V CA 1.690 63.988 62.300 -0.003 0.000 1.025 616 V CB -0.733 31.079 31.823 -0.017 0.000 0.656 616 V HN 0.469 nan 8.190 nan 0.000 0.451 617 Q N 0.994 120.788 119.800 -0.009 0.000 2.062 617 Q HA -0.324 4.010 4.340 -0.009 0.000 0.209 617 Q C 2.414 178.404 176.000 -0.017 0.000 0.996 617 Q CA 3.349 59.147 55.803 -0.007 0.000 0.859 617 Q CB -0.302 28.435 28.738 -0.001 0.000 0.920 617 Q HN 0.682 nan 8.270 nan 0.000 0.415 618 K N -0.242 120.143 120.400 -0.025 0.000 2.025 618 K HA -0.144 4.171 4.320 -0.009 0.000 0.207 618 K C 1.981 178.556 176.600 -0.042 0.000 1.049 618 K CA 1.969 58.233 56.287 -0.039 0.000 0.933 618 K CB -1.884 30.581 32.500 -0.057 0.000 0.714 618 K HN 0.711 nan 8.250 nan 0.000 0.438 619 T N -0.338 114.194 114.554 -0.037 0.000 2.881 619 T HA -0.029 4.315 4.350 -0.009 0.000 0.270 619 T C 2.080 176.770 174.700 -0.017 0.000 1.068 619 T CA 1.326 63.411 62.100 -0.024 0.000 1.131 619 T CB -0.296 68.580 68.868 0.012 0.000 0.871 619 T HN 0.324 nan 8.240 nan 0.000 0.479 620 L N 0.643 121.855 121.223 -0.018 0.000 2.068 620 L HA 0.160 4.494 4.340 -0.009 0.000 0.204 620 L C 3.318 180.171 176.870 -0.028 0.000 1.076 620 L CA 1.003 55.831 54.840 -0.019 0.000 0.753 620 L CB -0.782 41.270 42.059 -0.012 0.000 0.910 620 L HN 0.335 nan 8.230 nan 0.000 0.439 621 A N -0.240 122.560 122.820 -0.033 0.000 1.865 621 A HA -0.325 3.990 4.320 -0.009 0.000 0.217 621 A C 2.188 179.732 177.584 -0.068 0.000 1.191 621 A CA 2.134 54.142 52.037 -0.048 0.000 0.623 621 A CB -0.676 18.298 19.000 -0.044 0.000 0.826 621 A HN 0.396 nan 8.150 nan 0.000 0.444 622 Q N -0.233 119.535 119.800 -0.052 0.000 2.135 622 Q HA -0.092 4.242 4.340 -0.009 0.000 0.204 622 Q C 2.020 177.995 176.000 -0.043 0.000 0.981 622 Q CA 2.230 58.006 55.803 -0.045 0.000 0.856 622 Q CB -0.646 28.081 28.738 -0.019 0.000 0.902 622 Q HN 0.595 nan 8.270 nan 0.000 0.425 623 A N -0.312 122.489 122.820 -0.032 0.000 1.933 623 A HA -0.170 4.145 4.320 -0.009 0.000 0.218 623 A C 2.089 179.649 177.584 -0.040 0.000 1.175 623 A CA 1.619 53.642 52.037 -0.023 0.000 0.628 623 A CB -0.509 18.480 19.000 -0.017 0.000 0.814 623 A HN 0.503 nan 8.150 nan 0.000 0.444 624 M N -0.627 118.938 119.600 -0.059 0.000 2.086 624 M HA -0.118 4.356 4.480 -0.009 0.000 0.261 624 M C 2.076 178.307 176.300 -0.115 0.000 1.067 624 M CA 1.431 56.688 55.300 -0.072 0.000 1.116 624 M CB -0.530 32.027 32.600 -0.072 0.000 1.348 624 M HN 0.398 nan 8.290 nan 0.000 0.407 625 L N -0.308 120.799 121.223 -0.194 0.000 1.989 625 L HA -0.259 4.076 4.340 -0.009 0.000 0.211 625 L C 2.206 178.979 176.870 -0.162 0.000 1.071 625 L CA 1.592 56.210 54.840 -0.370 0.000 0.749 625 L CB -0.988 40.639 42.059 -0.720 0.000 0.890 625 L HN 0.358 nan 8.230 nan 0.000 0.431 626 N N 0.264 118.940 118.700 -0.040 0.000 2.094 626 N HA -0.277 4.457 4.740 -0.009 0.000 0.191 626 N C 1.745 177.268 175.510 0.022 0.000 1.023 626 N CA 1.686 54.761 53.050 0.042 0.000 0.857 626 N CB -0.195 38.317 38.487 0.042 0.000 1.013 626 N HN 0.293 nan 8.380 nan 0.000 0.426 627 N N -0.283 118.412 118.700 -0.007 0.000 2.188 627 N HA -0.130 4.604 4.740 -0.009 0.000 0.184 627 N C 1.567 177.074 175.510 -0.004 0.000 1.018 627 N CA 1.195 54.243 53.050 -0.004 0.000 0.858 627 N CB -0.133 38.347 38.487 -0.011 0.000 0.989 627 N HN 0.350 nan 8.380 nan 0.000 0.426 628 A N -0.011 122.793 122.820 -0.026 0.000 1.877 628 A HA -0.099 4.215 4.320 -0.009 0.000 0.216 628 A C 1.227 178.823 177.584 0.019 0.000 1.186 628 A CA 1.214 53.239 52.037 -0.020 0.000 0.620 628 A CB -0.145 18.817 19.000 -0.062 0.000 0.822 628 A HN 0.545 nan 8.150 nan 0.000 0.443 629 Q N -1.591 118.240 119.800 0.051 0.000 2.567 629 Q HA 0.230 4.564 4.340 -0.009 0.000 0.233 629 Q C -2.540 173.546 176.000 0.144 0.000 0.833 629 Q CA -1.540 54.325 55.803 0.103 0.000 0.844 629 Q CB 1.677 30.500 28.738 0.142 0.000 1.423 629 Q HN 0.137 nan 8.270 nan 0.000 0.442 630 P HA -0.183 nan 4.420 nan 0.000 0.214 630 P C 0.481 177.825 177.300 0.073 0.000 1.163 630 P CA 1.281 64.430 63.100 0.082 0.000 0.883 630 P CB 0.242 31.972 31.700 0.050 0.000 0.788 631 D N -0.548 119.882 120.400 0.050 0.000 2.244 631 D HA -0.256 4.379 4.640 -0.009 0.000 0.197 631 D C 1.873 178.165 176.300 -0.013 0.000 1.006 631 D CA 1.309 55.321 54.000 0.020 0.000 0.888 631 D CB -0.322 40.487 40.800 0.016 0.000 0.912 631 D HN 0.403 nan 8.370 nan 0.000 0.452 632 Q N -1.316 118.477 119.800 -0.012 0.000 2.391 632 Q HA 0.017 4.352 4.340 -0.009 0.000 0.243 632 Q C -0.345 175.425 176.000 -0.383 0.000 0.874 632 Q CA 0.037 55.725 55.803 -0.193 0.000 0.950 632 Q CB 0.761 29.370 28.738 -0.214 0.000 1.103 632 Q HN 0.200 nan 8.270 nan 0.000 0.544 633 Y N 1.488 121.787 120.300 -0.001 0.000 2.350 633 Y HA 0.219 4.763 4.550 -0.009 0.000 0.338 633 Y C -0.687 175.212 175.900 -0.001 0.000 0.961 633 Y CA -1.325 56.773 58.100 -0.003 0.000 1.100 633 Y CB 1.341 39.798 38.460 -0.004 0.000 1.179 633 Y HN 0.055 nan 8.280 nan 0.000 0.454 634 E N 1.546 121.820 120.200 0.125 0.000 2.373 634 E HA 0.552 4.897 4.350 -0.009 0.000 0.267 634 E C -0.427 176.222 176.600 0.081 0.000 1.032 634 E CA -0.728 55.718 56.400 0.077 0.000 0.889 634 E CB 0.911 30.638 29.700 0.044 0.000 0.984 634 E HN 0.623 nan 8.360 nan 0.000 0.425 635 A N 4.014 126.870 122.820 0.061 0.000 2.462 635 A HA 0.351 4.665 4.320 -0.009 0.000 0.243 635 A C -2.015 175.598 177.584 0.048 0.000 1.076 635 A CA -1.113 50.954 52.037 0.049 0.000 0.773 635 A CB -0.331 18.694 19.000 0.042 0.000 1.010 635 A HN 0.624 nan 8.150 nan 0.000 0.493 636 P HA 0.316 nan 4.420 nan 0.000 0.278 636 P C -1.040 176.312 177.300 0.086 0.000 1.266 636 P CA -0.416 62.712 63.100 0.047 0.000 0.807 636 P CB 0.537 32.253 31.700 0.025 0.000 1.094 637 D N 0.016 120.509 120.400 0.155 0.000 2.428 637 D HA 0.098 4.732 4.640 -0.009 0.000 0.221 637 D C 0.816 177.262 176.300 0.243 0.000 1.123 637 D CA -0.162 53.979 54.000 0.236 0.000 0.869 637 D CB 0.271 41.317 40.800 0.410 0.000 1.032 637 D HN 0.110 nan 8.370 nan 0.000 0.506 638 K N 1.864 122.325 120.400 0.102 0.000 2.211 638 K HA -0.134 4.180 4.320 -0.009 0.000 0.204 638 K C 0.944 177.533 176.600 -0.019 0.000 1.047 638 K CA 0.756 57.068 56.287 0.042 0.000 0.935 638 K CB 0.211 32.705 32.500 -0.010 0.000 0.728 638 K HN 0.426 nan 8.250 nan 0.000 0.452 639 D N 0.306 120.635 120.400 -0.119 0.000 2.254 639 D HA -0.194 4.440 4.640 -0.009 0.000 0.201 639 D C 1.399 177.327 176.300 -0.620 0.000 0.998 639 D CA 1.178 54.884 54.000 -0.490 0.000 0.885 639 D CB -0.154 40.159 40.800 -0.812 0.000 0.915 639 D HN 0.167 nan 8.370 nan 0.000 0.460 640 F N 0.233 120.076 119.950 -0.180 0.000 2.234 640 F HA -0.084 4.437 4.527 -0.009 0.000 0.299 640 F C 2.444 178.214 175.800 -0.051 0.000 1.087 640 F CA 0.896 58.908 58.000 0.019 0.000 1.340 640 F CB -0.249 38.832 39.000 0.135 0.000 1.031 640 F HN -0.008 nan 8.300 nan 0.000 0.500 641 M N -1.046 118.611 119.600 0.095 0.000 2.357 641 M HA 0.042 4.516 4.480 -0.009 0.000 0.266 641 M C 1.836 178.106 176.300 -0.050 0.000 1.095 641 M CA 1.540 56.854 55.300 0.024 0.000 1.156 641 M CB -0.630 31.977 32.600 0.012 0.000 1.365 641 M HN 0.054 nan 8.290 nan 0.000 0.447 642 I N 0.993 121.500 120.570 -0.106 0.000 2.118 642 I HA -0.274 3.890 4.170 -0.009 0.000 0.241 642 I C 2.480 178.516 176.117 -0.134 0.000 1.070 642 I CA 1.443 62.661 61.300 -0.137 0.000 1.327 642 I CB -0.613 37.273 38.000 -0.190 0.000 1.034 642 I HN 0.174 nan 8.210 nan 0.000 0.405 643 V N 0.733 120.535 119.914 -0.187 0.000 2.407 643 V HA -0.304 3.810 4.120 -0.009 0.000 0.248 643 V C 2.565 178.637 176.094 -0.036 0.000 1.055 643 V CA 2.071 64.288 62.300 -0.139 0.000 1.049 643 V CB -0.828 30.868 31.823 -0.211 0.000 0.662 643 V HN 0.529 nan 8.190 nan 0.000 0.455 644 A N -0.684 122.132 122.820 -0.006 0.000 1.898 644 A HA -0.045 4.270 4.320 -0.009 0.000 0.214 644 A C 2.164 179.742 177.584 -0.010 0.000 1.183 644 A CA 1.248 53.299 52.037 0.024 0.000 0.622 644 A CB -0.392 18.635 19.000 0.044 0.000 0.824 644 A HN 0.479 nan 8.150 nan 0.000 0.444 645 L N -0.261 120.943 121.223 -0.033 0.000 2.017 645 L HA -0.204 4.130 4.340 -0.009 0.000 0.208 645 L C 1.944 178.796 176.870 -0.030 0.000 1.073 645 L CA 1.521 56.335 54.840 -0.042 0.000 0.745 645 L CB -0.645 41.377 42.059 -0.061 0.000 0.894 645 L HN 0.281 nan 8.230 nan 0.000 0.432 646 D N -0.224 120.154 120.400 -0.036 0.000 2.218 646 D HA -0.158 4.476 4.640 -0.009 0.000 0.204 646 D C 1.987 178.276 176.300 -0.018 0.000 0.976 646 D CA 0.891 54.872 54.000 -0.031 0.000 0.853 646 D CB -0.051 40.721 40.800 -0.047 0.000 0.939 646 D HN 0.149 nan 8.370 nan 0.000 0.481 647 L N 0.226 121.446 121.223 -0.006 0.000 2.072 647 L HA -0.014 4.320 4.340 -0.009 0.000 0.205 647 L C 1.974 178.847 176.870 0.005 0.000 1.079 647 L CA 1.295 56.139 54.840 0.008 0.000 0.752 647 L CB -0.580 41.514 42.059 0.060 0.000 0.906 647 L HN -0.037 nan 8.230 nan 0.000 0.436 648 L N -0.777 120.449 121.223 0.005 0.000 2.017 648 L HA -0.199 4.136 4.340 -0.009 0.000 0.208 648 L C 2.660 179.555 176.870 0.041 0.000 1.073 648 L CA 1.637 56.487 54.840 0.016 0.000 0.745 648 L CB -1.025 41.009 42.059 -0.043 0.000 0.894 648 L HN 0.362 nan 8.230 nan 0.000 0.432 649 S N -0.396 115.321 115.700 0.028 0.000 2.488 649 S HA -0.135 4.329 4.470 -0.009 0.000 0.246 649 S C 1.680 176.299 174.600 0.032 0.000 0.992 649 S CA 1.318 59.545 58.200 0.044 0.000 0.963 649 S CB -0.286 62.933 63.200 0.032 0.000 0.754 649 S HN 0.576 nan 8.310 nan 0.000 0.519 650 G N -0.068 108.734 108.800 0.003 0.000 2.748 650 G HA2 0.151 4.106 3.960 -0.009 0.000 0.204 650 G HA3 0.151 4.106 3.960 -0.009 0.000 0.204 650 G C 1.074 175.945 174.900 -0.049 0.000 1.095 650 G CA 0.289 45.373 45.100 -0.026 0.000 0.775 650 G HN 0.446 nan 8.290 nan 0.000 0.531 651 L N 1.705 122.904 121.223 -0.040 0.000 2.056 651 L HA 0.277 4.611 4.340 -0.009 0.000 0.207 651 L C 2.920 179.813 176.870 0.039 0.000 1.078 651 L CA 2.140 56.955 54.840 -0.042 0.000 0.749 651 L CB -0.461 41.621 42.059 0.038 0.000 0.901 651 L HN 0.189 nan 8.230 nan 0.000 0.433 652 A N -0.997 121.871 122.820 0.080 0.000 1.930 652 A HA -0.243 4.071 4.320 -0.009 0.000 0.217 652 A C 2.318 179.955 177.584 0.088 0.000 1.175 652 A CA 1.657 53.757 52.037 0.105 0.000 0.627 652 A CB -0.647 18.430 19.000 0.128 0.000 0.815 652 A HN 0.598 nan 8.150 nan 0.000 0.443 653 E N -0.575 119.668 120.200 0.071 0.000 2.150 653 E HA -0.072 4.273 4.350 -0.009 0.000 0.193 653 E C 1.916 178.546 176.600 0.051 0.000 0.985 653 E CA 0.920 57.361 56.400 0.069 0.000 0.814 653 E CB -0.295 29.436 29.700 0.053 0.000 0.752 653 E HN 0.521 nan 8.360 nan 0.000 0.466 654 G N 0.594 109.411 108.800 0.029 0.000 2.411 654 G HA2 -0.118 3.836 3.960 -0.009 0.000 0.213 654 G HA3 -0.118 3.836 3.960 -0.009 0.000 0.213 654 G C 1.444 176.378 174.900 0.057 0.000 1.166 654 G CA 0.088 45.205 45.100 0.028 0.000 0.802 654 G HN 0.179 nan 8.290 nan 0.000 0.533 655 L N 0.658 121.921 121.223 0.066 0.000 2.509 655 L HA 0.206 4.540 4.340 -0.009 0.000 0.222 655 L C 2.402 179.317 176.870 0.075 0.000 1.123 655 L CA 0.255 55.145 54.840 0.083 0.000 0.856 655 L CB -0.462 41.655 42.059 0.097 0.000 0.985 655 L HN 0.395 nan 8.230 nan 0.000 0.456 656 G N 1.141 109.987 108.800 0.076 0.000 2.699 656 G HA2 -0.455 3.499 3.960 -0.009 0.000 0.347 656 G HA3 -0.455 3.499 3.960 -0.009 0.000 0.347 656 G C 1.127 176.076 174.900 0.083 0.000 1.225 656 G CA 0.589 45.736 45.100 0.079 0.000 0.973 656 G HN 0.404 nan 8.290 nan 0.000 0.551 657 G N 0.245 109.089 108.800 0.073 0.000 2.432 657 G HA2 -0.180 3.774 3.960 -0.009 0.000 0.219 657 G HA3 -0.180 3.774 3.960 -0.009 0.000 0.219 657 G C 1.515 176.457 174.900 0.069 0.000 1.135 657 G CA 1.486 46.630 45.100 0.075 0.000 0.767 657 G HN 0.656 nan 8.290 nan 0.000 0.550 658 N N 0.377 119.111 118.700 0.058 0.000 2.381 658 N HA -0.043 4.691 4.740 -0.009 0.000 0.182 658 N C 1.970 177.494 175.510 0.024 0.000 1.025 658 N CA 0.472 53.547 53.050 0.042 0.000 0.888 658 N CB 0.041 38.556 38.487 0.046 0.000 0.965 658 N HN 0.419 nan 8.380 nan 0.000 0.438 659 I N 1.862 122.453 120.570 0.036 0.000 2.614 659 I HA -0.256 3.909 4.170 -0.009 0.000 0.258 659 I C 2.116 178.198 176.117 -0.057 0.000 1.189 659 I CA 0.931 62.228 61.300 -0.005 0.000 1.462 659 I CB 0.042 38.079 38.000 0.061 0.000 1.092 659 I HN 0.068 nan 8.210 nan 0.000 0.442 660 E N 0.483 120.695 120.200 0.019 0.000 2.097 660 E HA -0.360 3.984 4.350 -0.009 0.000 0.196 660 E C 2.043 178.563 176.600 -0.133 0.000 1.000 660 E CA 1.896 58.324 56.400 0.046 0.000 0.804 660 E CB -0.743 29.113 29.700 0.261 0.000 0.740 660 E HN 0.584 nan 8.360 nan 0.000 0.454 661 Q N 0.070 119.819 119.800 -0.084 0.000 2.084 661 Q HA -0.101 4.234 4.340 -0.009 0.000 0.202 661 Q C 2.352 178.223 176.000 -0.215 0.000 0.978 661 Q CA 1.581 57.313 55.803 -0.118 0.000 0.844 661 Q CB -0.095 28.605 28.738 -0.063 0.000 0.898 661 Q HN 0.450 nan 8.270 nan 0.000 0.426 662 L N -0.311 120.732 121.223 -0.300 0.000 2.083 662 L HA -0.198 4.137 4.340 -0.009 0.000 0.209 662 L C 2.376 178.914 176.870 -0.553 0.000 1.083 662 L CA 0.762 55.273 54.840 -0.548 0.000 0.752 662 L CB -0.392 41.109 42.059 -0.929 0.000 0.899 662 L HN 0.116 nan 8.230 nan 0.000 0.433 663 V N -0.071 119.610 119.914 -0.387 0.000 2.358 663 V HA -0.278 3.837 4.120 -0.009 0.000 0.246 663 V C 2.755 178.706 176.094 -0.239 0.000 1.047 663 V CA 1.670 63.865 62.300 -0.175 0.000 1.035 663 V CB -0.889 30.863 31.823 -0.119 0.000 0.658 663 V HN 0.475 nan 8.190 nan 0.000 0.452 664 A N 1.094 123.647 122.820 -0.445 0.000 1.849 664 A HA -0.231 4.083 4.320 -0.009 0.000 0.217 664 A C 1.788 179.291 177.584 -0.135 0.000 1.202 664 A CA 1.801 53.613 52.037 -0.375 0.000 0.629 664 A CB -0.483 18.335 19.000 -0.302 0.000 0.834 664 A HN 0.631 nan 8.150 nan 0.000 0.447 665 R N 0.380 120.819 120.500 -0.102 0.000 4.496 665 R HA 0.380 4.715 4.340 -0.009 0.000 0.211 665 R C -0.455 175.851 176.300 0.010 0.000 1.738 665 R CA 0.595 56.674 56.100 -0.035 0.000 1.528 665 R CB -0.270 30.011 30.300 -0.031 0.000 1.414 665 R HN 0.520 nan 8.270 nan 0.000 0.812 666 S N -0.275 115.449 115.700 0.039 0.000 2.587 666 S HA 0.178 4.642 4.470 -0.009 0.000 0.269 666 S C -0.527 174.128 174.600 0.092 0.000 1.154 666 S CA -1.234 57.035 58.200 0.115 0.000 0.824 666 S CB 1.008 64.375 63.200 0.278 0.000 1.118 666 S HN 0.419 nan 8.310 nan 0.000 0.462 667 N N 0.834 119.588 118.700 0.091 0.000 2.321 667 N HA 0.134 4.868 4.740 -0.009 0.000 0.242 667 N C 1.005 176.565 175.510 0.082 0.000 1.141 667 N CA -0.372 52.721 53.050 0.071 0.000 0.864 667 N CB -0.072 38.445 38.487 0.049 0.000 1.100 667 N HN 0.739 nan 8.380 nan 0.000 0.510 668 I N 0.277 120.911 120.570 0.106 0.000 2.335 668 I HA -0.241 3.923 4.170 -0.009 0.000 0.251 668 I C 1.660 177.845 176.117 0.114 0.000 1.129 668 I CA 1.062 62.416 61.300 0.090 0.000 1.402 668 I CB 0.240 38.311 38.000 0.118 0.000 1.069 668 I HN 0.121 nan 8.210 nan 0.000 0.424 669 L N -0.109 121.203 121.223 0.147 0.000 2.023 669 L HA -0.196 4.139 4.340 -0.009 0.000 0.205 669 L C 2.517 179.544 176.870 0.260 0.000 1.073 669 L CA 1.897 56.875 54.840 0.229 0.000 0.745 669 L CB -0.770 41.426 42.059 0.228 0.000 0.900 669 L HN 0.194 nan 8.230 nan 0.000 0.435 670 T N 0.291 114.936 114.554 0.152 0.000 2.699 670 T HA -0.228 4.116 4.350 -0.009 0.000 0.268 670 T C 1.913 176.709 174.700 0.161 0.000 1.036 670 T CA 1.417 63.588 62.100 0.117 0.000 1.147 670 T CB -0.309 68.588 68.868 0.048 0.000 0.862 670 T HN 0.177 nan 8.240 nan 0.000 0.446 671 L N -0.094 121.201 121.223 0.120 0.000 2.056 671 L HA -0.054 4.280 4.340 -0.009 0.000 0.207 671 L C 2.726 179.651 176.870 0.092 0.000 1.078 671 L CA 1.271 56.162 54.840 0.086 0.000 0.749 671 L CB -0.496 41.589 42.059 0.044 0.000 0.901 671 L HN 0.298 nan 8.230 nan 0.000 0.433 672 M N -1.584 118.079 119.600 0.105 0.000 2.108 672 M HA -0.291 4.184 4.480 -0.009 0.000 0.261 672 M C 2.336 178.689 176.300 0.090 0.000 1.066 672 M CA 1.958 57.285 55.300 0.046 0.000 1.107 672 M CB -0.548 32.061 32.600 0.014 0.000 1.356 672 M HN 0.160 nan 8.290 nan 0.000 0.406 673 Y N 1.169 121.574 120.300 0.175 0.000 2.165 673 Y HA -0.328 4.217 4.550 -0.009 0.000 0.286 673 Y C 2.526 178.473 175.900 0.077 0.000 1.155 673 Y CA 1.700 59.934 58.100 0.225 0.000 1.164 673 Y CB -0.045 38.545 38.460 0.216 0.000 0.978 673 Y HN 0.217 nan 8.280 nan 0.000 0.513 674 Q N -0.921 118.998 119.800 0.199 0.000 2.119 674 Q HA -0.170 4.164 4.340 -0.009 0.000 0.201 674 Q C 2.536 178.509 176.000 -0.046 0.000 0.972 674 Q CA 1.517 57.368 55.803 0.081 0.000 0.847 674 Q CB -1.110 27.681 28.738 0.089 0.000 0.903 674 Q HN 0.555 nan 8.270 nan 0.000 0.433 675 C N 0.321 119.578 119.300 -0.070 0.000 2.440 675 C HA -0.048 4.407 4.460 -0.009 0.000 0.278 675 C C 2.715 177.552 174.990 -0.255 0.000 1.295 675 C CA 0.466 59.399 59.018 -0.142 0.000 1.738 675 C CB -0.915 26.742 27.740 -0.138 0.000 1.987 675 C HN 0.495 nan 8.230 nan 0.000 0.492 676 M N -0.031 119.371 119.600 -0.329 0.000 2.358 676 M HA -0.194 4.280 4.480 -0.009 0.000 0.264 676 M C 2.098 178.213 176.300 -0.309 0.000 1.064 676 M CA 1.565 56.567 55.300 -0.496 0.000 1.093 676 M CB -0.376 31.959 32.600 -0.442 0.000 1.401 676 M HN 0.448 nan 8.290 nan 0.000 0.440 677 Q N -0.202 119.457 119.800 -0.234 0.000 2.424 677 Q HA 0.015 4.349 4.340 -0.009 0.000 0.204 677 Q C 0.327 176.257 176.000 -0.116 0.000 0.933 677 Q CA -0.038 55.674 55.803 -0.152 0.000 0.929 677 Q CB 0.285 28.950 28.738 -0.122 0.000 1.037 677 Q HN 0.355 nan 8.270 nan 0.000 0.511 678 D N 0.265 120.584 120.400 -0.135 0.000 2.478 678 D HA -0.083 4.552 4.640 -0.009 0.000 0.234 678 D C 0.897 177.128 176.300 -0.116 0.000 1.154 678 D CA 0.691 54.626 54.000 -0.110 0.000 0.874 678 D CB 0.922 41.651 40.800 -0.118 0.000 1.198 678 D HN 0.136 nan 8.370 nan 0.000 0.455 679 K N 3.586 123.934 120.400 -0.087 0.000 2.442 679 K HA -0.085 4.229 4.320 -0.009 0.000 0.198 679 K C 1.287 177.813 176.600 -0.123 0.000 1.042 679 K CA 0.746 56.980 56.287 -0.088 0.000 0.958 679 K CB -0.279 32.194 32.500 -0.045 0.000 0.766 679 K HN 0.587 nan 8.250 nan 0.000 0.474 680 M N 0.825 120.350 119.600 -0.126 0.000 2.080 680 M HA 0.217 4.691 4.480 -0.009 0.000 0.350 680 M C -2.099 174.091 176.300 -0.183 0.000 1.173 680 M CA -2.513 52.709 55.300 -0.129 0.000 1.052 680 M CB 1.974 34.521 32.600 -0.088 0.000 1.577 680 M HN -0.101 nan 8.290 nan 0.000 0.455 681 P HA -0.210 nan 4.420 nan 0.000 0.216 681 P C 0.353 177.573 177.300 -0.134 0.000 1.154 681 P CA 1.606 64.548 63.100 -0.265 0.000 0.865 681 P CB 0.221 31.805 31.700 -0.192 0.000 0.789 682 E N -0.843 119.299 120.200 -0.097 0.000 2.051 682 E HA -0.125 4.219 4.350 -0.009 0.000 0.192 682 E C 2.063 178.597 176.600 -0.109 0.000 0.991 682 E CA 0.958 57.309 56.400 -0.082 0.000 0.799 682 E CB -1.332 28.321 29.700 -0.079 0.000 0.748 682 E HN 0.001 nan 8.360 nan 0.000 0.449 683 V N 0.886 120.722 119.914 -0.128 0.000 2.287 683 V HA -0.301 3.813 4.120 -0.009 0.000 0.248 683 V C 2.241 178.208 176.094 -0.213 0.000 1.053 683 V CA 2.001 64.212 62.300 -0.148 0.000 1.027 683 V CB -0.430 31.313 31.823 -0.133 0.000 0.646 683 V HN 0.199 nan 8.190 nan 0.000 0.447 684 R N 0.193 120.545 120.500 -0.246 0.000 2.088 684 R HA -0.259 4.075 4.340 -0.009 0.000 0.232 684 R C 2.514 178.599 176.300 -0.358 0.000 1.136 684 R CA 2.150 58.011 56.100 -0.397 0.000 0.926 684 R CB -0.594 29.551 30.300 -0.258 0.000 0.837 684 R HN 0.789 nan 8.270 nan 0.000 0.429 685 Q N 0.065 119.822 119.800 -0.072 0.000 2.297 685 Q HA -0.118 4.217 4.340 -0.009 0.000 0.208 685 Q C 1.664 177.682 176.000 0.030 0.000 0.981 685 Q CA 2.038 57.893 55.803 0.087 0.000 0.876 685 Q CB -0.043 28.737 28.738 0.071 0.000 0.921 685 Q HN 0.077 nan 8.270 nan 0.000 0.446 686 S N 0.713 116.372 115.700 -0.070 0.000 2.362 686 S HA -0.091 4.374 4.470 -0.009 0.000 0.221 686 S C 2.064 176.623 174.600 -0.068 0.000 1.032 686 S CA 0.957 59.120 58.200 -0.060 0.000 0.973 686 S CB -0.105 63.044 63.200 -0.085 0.000 0.849 686 S HN 0.715 nan 8.310 nan 0.000 0.465 687 S N 1.179 116.772 115.700 -0.177 0.000 2.428 687 S HA 0.004 4.468 4.470 -0.009 0.000 0.230 687 S C 1.526 176.034 174.600 -0.153 0.000 1.014 687 S CA 0.682 58.762 58.200 -0.201 0.000 0.957 687 S CB -0.663 62.361 63.200 -0.293 0.000 0.784 687 S HN 0.335 nan 8.310 nan 0.000 0.499 688 F N 2.831 122.761 119.950 -0.034 0.000 2.102 688 F HA 0.138 4.660 4.527 -0.010 0.000 0.298 688 F C 2.915 178.775 175.800 0.100 0.000 1.105 688 F CA 0.067 58.063 58.000 -0.007 0.000 1.239 688 F CB -1.368 37.642 39.000 0.016 0.000 0.991 688 F HN 0.298 nan 8.300 nan 0.000 0.474 689 A N -0.047 122.962 122.820 0.315 0.000 1.908 689 A HA -0.199 4.115 4.320 -0.009 0.000 0.218 689 A C 2.179 179.944 177.584 0.302 0.000 1.181 689 A CA 1.744 53.974 52.037 0.322 0.000 0.627 689 A CB -1.177 17.895 19.000 0.121 0.000 0.818 689 A HN 0.349 nan 8.150 nan 0.000 0.445 690 L N -0.869 120.442 121.223 0.147 0.000 2.083 690 L HA -0.093 4.242 4.340 -0.009 0.000 0.209 690 L C 2.189 179.114 176.870 0.091 0.000 1.083 690 L CA 1.944 56.844 54.840 0.099 0.000 0.752 690 L CB -0.677 41.396 42.059 0.023 0.000 0.899 690 L HN 0.357 nan 8.230 nan 0.000 0.433 691 L N -0.028 121.223 121.223 0.047 0.000 1.994 691 L HA -0.010 4.325 4.340 -0.009 0.000 0.208 691 L C 2.412 179.269 176.870 -0.021 0.000 1.071 691 L CA 2.180 56.992 54.840 -0.046 0.000 0.745 691 L CB -1.550 40.429 42.059 -0.133 0.000 0.892 691 L HN 0.302 nan 8.230 nan 0.000 0.431 692 G N -1.050 107.732 108.800 -0.030 0.000 2.469 692 G HA2 -0.312 3.642 3.960 -0.009 0.000 0.219 692 G HA3 -0.312 3.642 3.960 -0.009 0.000 0.219 692 G C 1.334 176.187 174.900 -0.077 0.000 1.150 692 G CA 1.040 45.886 45.100 -0.424 0.000 0.763 692 G HN 0.470 nan 8.290 nan 0.000 0.561 693 D N 0.087 120.634 120.400 0.245 0.000 2.183 693 D HA 0.012 4.646 4.640 -0.009 0.000 0.203 693 D C 2.642 179.035 176.300 0.156 0.000 0.969 693 D CA 0.341 54.494 54.000 0.255 0.000 0.842 693 D CB 0.024 40.974 40.800 0.249 0.000 0.957 693 D HN 0.310 nan 8.370 nan 0.000 0.484 694 L N 0.419 121.721 121.223 0.131 0.000 2.131 694 L HA -0.065 4.269 4.340 -0.009 0.000 0.206 694 L C 2.442 179.419 176.870 0.177 0.000 1.087 694 L CA 0.766 55.693 54.840 0.145 0.000 0.767 694 L CB -0.593 41.546 42.059 0.134 0.000 0.917 694 L HN -0.041 nan 8.230 nan 0.000 0.441 695 T N 0.177 114.825 114.554 0.158 0.000 2.665 695 T HA -0.229 4.115 4.350 -0.009 0.000 0.268 695 T C 1.925 176.695 174.700 0.116 0.000 1.035 695 T CA 1.500 63.734 62.100 0.224 0.000 1.151 695 T CB -0.088 68.793 68.868 0.023 0.000 0.862 695 T HN 0.294 nan 8.240 nan 0.000 0.438 696 K N 0.704 121.134 120.400 0.050 0.000 2.057 696 K HA 0.095 4.409 4.320 -0.009 0.000 0.206 696 K C 2.683 179.340 176.600 0.096 0.000 1.050 696 K CA 1.126 57.443 56.287 0.050 0.000 0.935 696 K CB -0.221 32.326 32.500 0.078 0.000 0.715 696 K HN 0.294 nan 8.250 nan 0.000 0.439 697 A N 1.162 124.058 122.820 0.126 0.000 1.854 697 A HA -0.098 4.216 4.320 -0.009 0.000 0.214 697 A C 1.477 179.145 177.584 0.140 0.000 1.192 697 A CA 1.281 53.394 52.037 0.126 0.000 0.611 697 A CB -0.252 18.826 19.000 0.131 0.000 0.832 697 A HN 0.584 nan 8.150 nan 0.000 0.442 698 C N -4.164 115.245 119.300 0.181 0.000 3.355 698 C HA 0.585 5.040 4.460 -0.009 0.000 0.287 698 C C 0.588 175.701 174.990 0.205 0.000 1.036 698 C CA -0.946 58.188 59.018 0.193 0.000 1.246 698 C CB -1.547 26.345 27.740 0.253 0.000 1.754 698 C HN 0.382 nan 8.230 nan 0.000 0.592 699 F N 2.543 122.512 119.950 0.031 0.000 2.451 699 F HA -0.021 4.500 4.527 -0.009 0.000 0.299 699 F C 2.188 177.974 175.800 -0.023 0.000 1.101 699 F CA 1.817 59.830 58.000 0.021 0.000 1.436 699 F CB 0.100 39.106 39.000 0.010 0.000 1.074 699 F HN 0.604 nan 8.300 nan 0.000 0.553 700 Q N -0.248 119.456 119.800 -0.159 0.000 2.047 700 Q HA -0.273 4.061 4.340 -0.009 0.000 0.211 700 Q C 2.121 177.861 176.000 -0.432 0.000 1.005 700 Q CA 2.494 58.080 55.803 -0.361 0.000 0.866 700 Q CB -1.030 27.383 28.738 -0.542 0.000 0.938 700 Q HN 0.521 nan 8.270 nan 0.000 0.414 701 H N -0.861 118.151 119.070 -0.097 0.000 2.502 701 H HA 0.062 4.612 4.556 -0.009 0.000 0.283 701 H C 2.050 177.311 175.328 -0.112 0.000 1.015 701 H CA 1.225 57.227 56.048 -0.076 0.000 1.298 701 H CB 0.040 29.796 29.762 -0.010 0.000 1.411 701 H HN 0.108 nan 8.280 nan 0.000 0.556 702 V N 1.308 121.149 119.914 -0.122 0.000 2.379 702 V HA -0.180 3.935 4.120 -0.009 0.000 0.245 702 V C 2.637 178.525 176.094 -0.344 0.000 1.044 702 V CA 1.362 63.585 62.300 -0.128 0.000 1.036 702 V CB -0.376 31.423 31.823 -0.042 0.000 0.664 702 V HN 0.249 nan 8.190 nan 0.000 0.453 703 K N 0.622 120.510 120.400 -0.854 0.000 2.034 703 K HA -0.223 4.092 4.320 -0.009 0.000 0.214 703 K C -0.206 176.247 176.600 -0.244 0.000 1.051 703 K CA 2.251 58.121 56.287 -0.694 0.000 0.931 703 K CB -1.190 30.919 32.500 -0.652 0.000 0.715 703 K HN 0.385 nan 8.250 nan 0.000 0.446 704 P HA -0.134 nan 4.420 nan 0.000 0.222 704 P C 0.520 177.741 177.300 -0.131 0.000 1.142 704 P CA 1.167 64.200 63.100 -0.111 0.000 0.788 704 P CB -0.122 31.529 31.700 -0.082 0.000 0.767 705 C N -4.177 115.020 119.300 -0.170 0.000 3.125 705 C HA 0.358 4.812 4.460 -0.009 0.000 0.284 705 C C 2.125 176.875 174.990 -0.401 0.000 1.386 705 C CA -0.706 58.101 59.018 -0.351 0.000 1.763 705 C CB -1.346 26.076 27.740 -0.530 0.000 2.377 705 C HN 0.082 nan 8.230 nan 0.000 0.620 706 I N 2.699 123.186 120.570 -0.138 0.000 2.264 706 I HA -0.180 3.985 4.170 -0.009 0.000 0.248 706 I C 2.838 178.800 176.117 -0.258 0.000 1.111 706 I CA 2.099 63.355 61.300 -0.073 0.000 1.382 706 I CB -1.387 36.586 38.000 -0.046 0.000 1.060 706 I HN 0.429 nan 8.210 nan 0.000 0.418 707 A N 0.230 122.919 122.820 -0.218 0.000 1.978 707 A HA -0.227 4.087 4.320 -0.009 0.000 0.220 707 A C 2.018 179.565 177.584 -0.062 0.000 1.170 707 A CA 1.918 53.898 52.037 -0.095 0.000 0.636 707 A CB -0.513 18.534 19.000 0.079 0.000 0.810 707 A HN 0.427 nan 8.150 nan 0.000 0.448 708 D N -1.446 118.857 120.400 -0.163 0.000 2.183 708 D HA 0.007 4.641 4.640 -0.009 0.000 0.205 708 D C 1.636 178.012 176.300 0.127 0.000 0.962 708 D CA 0.825 54.769 54.000 -0.093 0.000 0.849 708 D CB -0.171 40.408 40.800 -0.370 0.000 0.978 708 D HN 0.604 nan 8.370 nan 0.000 0.488 709 F N 0.536 120.579 119.950 0.154 0.000 2.187 709 F HA -0.066 4.455 4.527 -0.009 0.000 0.295 709 F C 2.608 178.442 175.800 0.057 0.000 1.091 709 F CA 0.184 58.263 58.000 0.132 0.000 1.308 709 F CB -0.027 39.033 39.000 0.101 0.000 1.030 709 F HN -0.173 nan 8.300 nan 0.000 0.487 710 M N 0.262 119.953 119.600 0.151 0.000 2.086 710 M HA -0.109 4.365 4.480 -0.009 0.000 0.261 710 M C -0.610 175.746 176.300 0.093 0.000 1.067 710 M CA 1.868 57.199 55.300 0.052 0.000 1.116 710 M CB -2.391 30.137 32.600 -0.120 0.000 1.348 710 M HN -0.063 nan 8.290 nan 0.000 0.407 711 P HA -0.067 nan 4.420 nan 0.000 0.219 711 P C 1.709 179.070 177.300 0.102 0.000 1.146 711 P CA 1.205 64.375 63.100 0.117 0.000 0.808 711 P CB -0.128 31.650 31.700 0.129 0.000 0.779 712 I N -1.743 118.900 120.570 0.122 0.000 2.480 712 I HA -0.135 4.030 4.170 -0.009 0.000 0.251 712 I C 2.192 178.369 176.117 0.100 0.000 1.124 712 I CA 0.721 62.087 61.300 0.110 0.000 1.444 712 I CB -0.393 37.654 38.000 0.078 0.000 1.098 712 I HN -0.140 nan 8.210 nan 0.000 0.428 713 L N 0.457 121.716 121.223 0.060 0.000 2.013 713 L HA -0.209 4.125 4.340 -0.009 0.000 0.212 713 L C 2.635 179.441 176.870 -0.107 0.000 1.073 713 L CA 1.815 56.570 54.840 -0.142 0.000 0.753 713 L CB -1.210 40.780 42.059 -0.114 0.000 0.890 713 L HN 0.334 nan 8.230 nan 0.000 0.432 714 G N -0.225 108.568 108.800 -0.012 0.000 2.545 714 G HA2 -0.330 3.624 3.960 -0.009 0.000 0.217 714 G HA3 -0.330 3.624 3.960 -0.009 0.000 0.217 714 G C 1.533 176.443 174.900 0.018 0.000 1.218 714 G CA 1.534 46.641 45.100 0.013 0.000 0.787 714 G HN 0.455 nan 8.290 nan 0.000 0.571 715 T N -0.732 113.845 114.554 0.040 0.000 2.977 715 T HA -0.048 4.296 4.350 -0.009 0.000 0.271 715 T C 1.793 176.526 174.700 0.056 0.000 1.105 715 T CA 1.148 63.280 62.100 0.052 0.000 1.116 715 T CB -0.107 68.798 68.868 0.061 0.000 0.878 715 T HN 0.233 nan 8.240 nan 0.000 0.509 716 N N 0.653 119.370 118.700 0.028 0.000 2.280 716 N HA 0.203 4.938 4.740 -0.009 0.000 0.192 716 N C 0.238 175.739 175.510 -0.015 0.000 1.109 716 N CA 0.022 53.089 53.050 0.028 0.000 0.855 716 N CB 0.122 38.627 38.487 0.029 0.000 0.974 716 N HN 0.437 nan 8.380 nan 0.000 0.482 717 L N 1.724 122.933 121.223 -0.023 0.000 2.650 717 L HA 0.078 4.412 4.340 -0.009 0.000 0.239 717 L C 0.109 177.001 176.870 0.036 0.000 1.412 717 L CA -0.153 54.681 54.840 -0.011 0.000 1.219 717 L CB -0.985 41.065 42.059 -0.016 0.000 1.534 717 L HN -0.019 nan 8.230 nan 0.000 0.430 718 N N 0.310 119.056 118.700 0.075 0.000 2.476 718 N HA 0.298 5.032 4.740 -0.009 0.000 0.257 718 N C -1.845 173.724 175.510 0.098 0.000 0.970 718 N CA -1.715 51.397 53.050 0.102 0.000 0.938 718 N CB 1.669 40.258 38.487 0.171 0.000 1.144 718 N HN -0.152 nan 8.380 nan 0.000 0.500 719 P HA -0.148 nan 4.420 nan 0.000 0.223 719 P C 0.787 178.070 177.300 -0.029 0.000 1.144 719 P CA 0.841 63.949 63.100 0.013 0.000 0.783 719 P CB 0.345 32.044 31.700 -0.002 0.000 0.771 720 E N -0.473 119.670 120.200 -0.095 0.000 2.017 720 E HA -0.128 4.216 4.350 -0.009 0.000 0.193 720 E C 0.009 176.409 176.600 -0.333 0.000 0.997 720 E CA 0.845 57.072 56.400 -0.288 0.000 0.804 720 E CB -0.275 29.120 29.700 -0.508 0.000 0.757 720 E HN 0.232 nan 8.360 nan 0.000 0.448 721 F N 1.629 121.588 119.950 0.016 0.000 2.439 721 F HA 0.075 4.596 4.527 -0.010 0.000 0.356 721 F C 1.492 177.303 175.800 0.019 0.000 1.161 721 F CA -0.630 57.381 58.000 0.019 0.000 1.151 721 F CB 0.319 39.337 39.000 0.031 0.000 1.222 721 F HN -0.016 nan 8.300 nan 0.000 0.558 722 I N 0.847 121.491 120.570 0.125 0.000 2.076 722 I HA -0.280 3.884 4.170 -0.009 0.000 0.237 722 I C 2.189 178.359 176.117 0.089 0.000 1.059 722 I CA 1.371 62.716 61.300 0.075 0.000 1.317 722 I CB -1.189 36.831 38.000 0.033 0.000 1.037 722 I HN 0.466 nan 8.210 nan 0.000 0.398 723 S N 0.629 116.383 115.700 0.090 0.000 2.420 723 S HA -0.121 4.344 4.470 -0.009 0.000 0.237 723 S C 2.152 176.818 174.600 0.110 0.000 1.023 723 S CA 1.098 59.343 58.200 0.075 0.000 0.991 723 S CB -0.416 62.818 63.200 0.057 0.000 0.792 723 S HN 0.282 nan 8.310 nan 0.000 0.488 724 V N 0.307 120.311 119.914 0.151 0.000 2.283 724 V HA -0.168 3.946 4.120 -0.009 0.000 0.243 724 V C 2.527 178.689 176.094 0.114 0.000 1.039 724 V CA 1.331 63.746 62.300 0.192 0.000 1.016 724 V CB -0.928 31.009 31.823 0.191 0.000 0.650 724 V HN 0.624 nan 8.190 nan 0.000 0.449 725 C N 0.442 119.800 119.300 0.098 0.000 2.398 725 C HA -0.246 4.209 4.460 -0.009 0.000 0.276 725 C C 2.757 177.757 174.990 0.017 0.000 1.222 725 C CA 2.121 61.160 59.018 0.036 0.000 1.746 725 C CB -1.510 26.263 27.740 0.055 0.000 2.039 725 C HN 0.734 nan 8.230 nan 0.000 0.470 726 N N 0.202 118.929 118.700 0.045 0.000 2.069 726 N HA -0.127 4.607 4.740 -0.009 0.000 0.191 726 N C 1.329 176.896 175.510 0.095 0.000 1.031 726 N CA 1.944 55.024 53.050 0.049 0.000 0.852 726 N CB -0.093 38.413 38.487 0.031 0.000 1.018 726 N HN 0.543 nan 8.380 nan 0.000 0.423 727 N N 0.016 118.784 118.700 0.114 0.000 2.300 727 N HA 0.043 4.777 4.740 -0.009 0.000 0.179 727 N C 1.411 176.993 175.510 0.120 0.000 1.016 727 N CA 0.899 54.080 53.050 0.220 0.000 0.876 727 N CB -0.434 38.210 38.487 0.261 0.000 0.979 727 N HN 0.276 nan 8.380 nan 0.000 0.432 728 A N 0.513 123.247 122.820 -0.144 0.000 1.851 728 A HA -0.173 4.141 4.320 -0.009 0.000 0.216 728 A C 2.306 179.773 177.584 -0.196 0.000 1.195 728 A CA 2.217 53.979 52.037 -0.457 0.000 0.622 728 A CB -1.342 17.334 19.000 -0.540 0.000 0.831 728 A HN 0.273 nan 8.150 nan 0.000 0.444 729 T N -1.515 112.992 114.554 -0.079 0.000 2.607 729 T HA -0.250 4.094 4.350 -0.009 0.000 0.267 729 T C 1.472 176.189 174.700 0.029 0.000 1.049 729 T CA 1.844 63.931 62.100 -0.023 0.000 1.162 729 T CB -0.468 68.406 68.868 0.011 0.000 0.863 729 T HN 0.724 nan 8.240 nan 0.000 0.424 730 W N 2.140 123.399 121.300 -0.068 0.000 2.321 730 W HA -0.182 4.473 4.660 -0.009 0.000 0.306 730 W C 2.538 179.033 176.519 -0.041 0.000 1.217 730 W CA 1.438 58.757 57.345 -0.044 0.000 1.257 730 W CB -0.784 28.659 29.460 -0.028 0.000 1.145 730 W HN 0.278 nan 8.180 nan 0.000 0.509 731 A N 0.268 122.945 122.820 -0.238 0.000 1.855 731 A HA -0.173 4.141 4.320 -0.009 0.000 0.215 731 A C 2.066 179.442 177.584 -0.348 0.000 1.191 731 A CA 2.152 53.919 52.037 -0.449 0.000 0.613 731 A CB -1.130 17.754 19.000 -0.193 0.000 0.829 731 A HN 0.358 nan 8.150 nan 0.000 0.442 732 I N -0.042 120.402 120.570 -0.211 0.000 2.074 732 I HA -0.336 3.828 4.170 -0.009 0.000 0.238 732 I C 2.776 178.798 176.117 -0.159 0.000 1.037 732 I CA 1.550 62.764 61.300 -0.144 0.000 1.301 732 I CB -1.041 36.903 38.000 -0.094 0.000 1.016 732 I HN 0.406 nan 8.210 nan 0.000 0.400 733 G N 0.442 109.148 108.800 -0.158 0.000 2.649 733 G HA2 -0.321 3.633 3.960 -0.009 0.000 0.220 733 G HA3 -0.321 3.633 3.960 -0.009 0.000 0.220 733 G C 1.519 176.291 174.900 -0.213 0.000 1.189 733 G CA 1.228 46.242 45.100 -0.144 0.000 0.777 733 G HN 0.404 nan 8.290 nan 0.000 0.602 734 E N 0.216 120.184 120.200 -0.387 0.000 2.204 734 E HA -0.023 4.321 4.350 -0.009 0.000 0.194 734 E C 2.651 179.051 176.600 -0.333 0.000 0.989 734 E CA 0.431 56.584 56.400 -0.412 0.000 0.824 734 E CB -0.067 29.204 29.700 -0.715 0.000 0.756 734 E HN 0.608 nan 8.360 nan 0.000 0.477 735 I N 0.812 121.210 120.570 -0.286 0.000 2.233 735 I HA -0.232 3.932 4.170 -0.009 0.000 0.243 735 I C 2.352 178.317 176.117 -0.252 0.000 1.093 735 I CA 0.568 61.714 61.300 -0.257 0.000 1.380 735 I CB -0.346 37.597 38.000 -0.095 0.000 1.067 735 I HN -0.052 nan 8.210 nan 0.000 0.413 736 S N 1.523 117.140 115.700 -0.139 0.000 2.404 736 S HA -0.276 4.188 4.470 -0.009 0.000 0.230 736 S C 1.989 176.532 174.600 -0.095 0.000 1.046 736 S CA 2.064 60.222 58.200 -0.070 0.000 1.135 736 S CB -0.729 62.459 63.200 -0.020 0.000 1.056 736 S HN 0.310 nan 8.310 nan 0.000 0.426 737 I N 1.713 122.217 120.570 -0.111 0.000 2.130 737 I HA -0.370 3.795 4.170 -0.009 0.000 0.241 737 I C 2.820 178.848 176.117 -0.149 0.000 1.023 737 I CA 1.787 63.026 61.300 -0.101 0.000 1.293 737 I CB -0.504 37.421 38.000 -0.125 0.000 1.001 737 I HN 0.335 nan 8.210 nan 0.000 0.407 738 Q N -0.398 119.207 119.800 -0.324 0.000 2.123 738 Q HA -0.079 4.255 4.340 -0.009 0.000 0.199 738 Q C 2.203 178.013 176.000 -0.316 0.000 0.966 738 Q CA 1.373 56.897 55.803 -0.464 0.000 0.845 738 Q CB -0.161 27.911 28.738 -1.111 0.000 0.907 738 Q HN 0.610 nan 8.270 nan 0.000 0.439 739 M N -0.358 119.087 119.600 -0.259 0.000 2.558 739 M HA 0.020 4.494 4.480 -0.009 0.000 0.255 739 M C 1.215 177.540 176.300 0.041 0.000 1.113 739 M CA 0.743 56.038 55.300 -0.009 0.000 1.097 739 M CB -0.293 32.353 32.600 0.076 0.000 1.426 739 M HN 0.254 nan 8.290 nan 0.000 0.488 740 G N 2.286 111.095 108.800 0.016 0.000 2.684 740 G HA2 -0.355 3.599 3.960 -0.009 0.000 0.332 740 G HA3 -0.355 3.599 3.960 -0.009 0.000 0.332 740 G C 0.637 175.566 174.900 0.048 0.000 1.306 740 G CA 0.773 45.899 45.100 0.043 0.000 1.002 740 G HN 0.478 nan 8.290 nan 0.000 0.545 741 I N 1.113 121.705 120.570 0.038 0.000 2.928 741 I HA 0.045 4.210 4.170 -0.009 0.000 0.266 741 I C 2.415 178.558 176.117 0.043 0.000 1.234 741 I CA 1.456 62.773 61.300 0.027 0.000 1.483 741 I CB -0.398 37.606 38.000 0.007 0.000 1.097 741 I HN 0.507 nan 8.210 nan 0.000 0.455 742 E N 0.734 120.977 120.200 0.072 0.000 2.409 742 E HA -0.205 4.139 4.350 -0.009 0.000 0.198 742 E C 1.944 178.638 176.600 0.157 0.000 1.024 742 E CA 0.719 57.181 56.400 0.102 0.000 0.861 742 E CB -0.073 29.713 29.700 0.144 0.000 0.788 742 E HN 0.300 nan 8.360 nan 0.000 0.521 743 M N 0.803 120.500 119.600 0.161 0.000 2.460 743 M HA -0.166 4.308 4.480 -0.009 0.000 0.263 743 M C 1.916 178.317 176.300 0.167 0.000 1.071 743 M CA 1.394 56.834 55.300 0.234 0.000 1.096 743 M CB -0.071 32.614 32.600 0.142 0.000 1.408 743 M HN 0.016 nan 8.290 nan 0.000 0.463 744 Q N 0.382 120.211 119.800 0.050 0.000 2.045 744 Q HA -0.172 4.162 4.340 -0.009 0.000 0.206 744 Q C -0.877 175.071 176.000 -0.087 0.000 0.991 744 Q CA 2.242 58.039 55.803 -0.009 0.000 0.851 744 Q CB -1.368 27.356 28.738 -0.024 0.000 0.911 744 Q HN 0.325 nan 8.270 nan 0.000 0.418 745 P HA -0.144 nan 4.420 nan 0.000 0.223 745 P C 0.117 177.192 177.300 -0.374 0.000 1.144 745 P CA 1.334 64.201 63.100 -0.388 0.000 0.783 745 P CB -0.266 31.041 31.700 -0.656 0.000 0.771 746 Y N -2.271 118.054 120.300 0.041 0.000 2.478 746 Y HA 0.182 4.726 4.550 -0.009 0.000 0.261 746 Y C 2.117 178.041 175.900 0.040 0.000 1.127 746 Y CA -0.267 57.860 58.100 0.045 0.000 1.288 746 Y CB -0.560 37.933 38.460 0.056 0.000 1.084 746 Y HN -0.142 nan 8.280 nan 0.000 0.530 747 I N 0.988 121.636 120.570 0.129 0.000 2.286 747 I HA -0.173 3.992 4.170 -0.009 0.000 0.248 747 I C -0.735 175.432 176.117 0.084 0.000 1.115 747 I CA 0.879 62.234 61.300 0.093 0.000 1.392 747 I CB -1.177 36.860 38.000 0.062 0.000 1.065 747 I HN 0.110 nan 8.210 nan 0.000 0.418 748 P HA -0.136 nan 4.420 nan 0.000 0.220 748 P C 1.755 179.115 177.300 0.100 0.000 1.148 748 P CA 1.451 64.604 63.100 0.088 0.000 0.803 748 P CB -0.011 31.727 31.700 0.063 0.000 0.782 749 M N -0.936 118.726 119.600 0.103 0.000 2.159 749 M HA -0.125 4.350 4.480 -0.009 0.000 0.263 749 M C 1.792 178.146 176.300 0.090 0.000 1.063 749 M CA 1.714 57.076 55.300 0.103 0.000 1.110 749 M CB -0.466 32.214 32.600 0.133 0.000 1.374 749 M HN -0.111 nan 8.290 nan 0.000 0.411 750 V N -3.845 116.119 119.914 0.084 0.000 2.922 750 V HA 0.008 4.123 4.120 -0.009 0.000 0.242 750 V C 2.033 178.155 176.094 0.048 0.000 1.094 750 V CA 0.201 62.534 62.300 0.054 0.000 1.106 750 V CB -0.927 30.916 31.823 0.034 0.000 0.799 750 V HN 0.301 nan 8.190 nan 0.000 0.474 751 L N 0.814 122.068 121.223 0.052 0.000 1.990 751 L HA -0.189 4.145 4.340 -0.009 0.000 0.213 751 L C 2.731 179.599 176.870 -0.003 0.000 1.072 751 L CA 2.412 57.257 54.840 0.009 0.000 0.755 751 L CB -1.329 40.734 42.059 0.008 0.000 0.889 751 L HN 0.406 nan 8.230 nan 0.000 0.432 752 H N -0.989 118.097 119.070 0.026 0.000 2.387 752 H HA -0.172 4.378 4.556 -0.009 0.000 0.299 752 H C 2.194 177.536 175.328 0.024 0.000 1.099 752 H CA 1.941 58.008 56.048 0.032 0.000 1.315 752 H CB 0.230 30.012 29.762 0.034 0.000 1.380 752 H HN 0.509 nan 8.280 nan 0.000 0.513 753 Q N 0.251 120.125 119.800 0.123 0.000 2.046 753 Q HA -0.073 4.262 4.340 -0.009 0.000 0.200 753 Q C 2.753 178.772 176.000 0.031 0.000 0.975 753 Q CA 0.905 56.751 55.803 0.072 0.000 0.836 753 Q CB -0.203 28.566 28.738 0.052 0.000 0.896 753 Q HN 0.362 nan 8.270 nan 0.000 0.428 754 L N -0.310 120.914 121.223 0.001 0.000 2.013 754 L HA -0.222 4.113 4.340 -0.009 0.000 0.212 754 L C 2.215 179.057 176.870 -0.045 0.000 1.073 754 L CA 0.954 55.773 54.840 -0.035 0.000 0.753 754 L CB -0.629 41.388 42.059 -0.070 0.000 0.890 754 L HN 0.127 nan 8.230 nan 0.000 0.432 755 V N -0.516 119.364 119.914 -0.056 0.000 2.515 755 V HA -0.260 3.855 4.120 -0.009 0.000 0.250 755 V C 2.406 178.516 176.094 0.027 0.000 1.058 755 V CA 1.746 64.029 62.300 -0.028 0.000 1.064 755 V CB -0.424 31.367 31.823 -0.054 0.000 0.675 755 V HN 0.475 nan 8.190 nan 0.000 0.461 756 E N -0.235 119.988 120.200 0.038 0.000 2.158 756 E HA -0.088 4.256 4.350 -0.009 0.000 0.191 756 E C 2.151 178.772 176.600 0.036 0.000 0.982 756 E CA 0.742 57.176 56.400 0.055 0.000 0.823 756 E CB 0.036 29.783 29.700 0.079 0.000 0.766 756 E HN 0.610 nan 8.360 nan 0.000 0.468 757 I N 0.691 121.274 120.570 0.023 0.000 2.406 757 I HA -0.176 3.988 4.170 -0.009 0.000 0.249 757 I C 2.433 178.556 176.117 0.009 0.000 1.122 757 I CA 0.511 61.819 61.300 0.013 0.000 1.431 757 I CB 0.006 38.009 38.000 0.005 0.000 1.087 757 I HN 0.157 nan 8.210 nan 0.000 0.424 758 I N 0.810 121.386 120.570 0.011 0.000 2.546 758 I HA -0.225 3.939 4.170 -0.009 0.000 0.255 758 I C 1.971 178.107 176.117 0.032 0.000 1.163 758 I CA 1.350 62.662 61.300 0.020 0.000 1.457 758 I CB -0.146 37.874 38.000 0.034 0.000 1.092 758 I HN 0.257 nan 8.210 nan 0.000 0.434 759 N N 0.870 119.593 118.700 0.038 0.000 2.446 759 N HA -0.055 4.679 4.740 -0.009 0.000 0.179 759 N C 0.618 176.141 175.510 0.021 0.000 1.054 759 N CA 0.096 53.166 53.050 0.033 0.000 0.905 759 N CB -0.021 38.492 38.487 0.043 0.000 0.973 759 N HN 0.307 nan 8.380 nan 0.000 0.448 760 R N 2.441 122.951 120.500 0.018 0.000 2.484 760 R HA 0.079 4.413 4.340 -0.009 0.000 0.293 760 R C -2.351 173.952 176.300 0.005 0.000 1.023 760 R CA -0.972 55.135 56.100 0.011 0.000 1.037 760 R CB 0.400 30.705 30.300 0.008 0.000 0.951 760 R HN -0.046 nan 8.270 nan 0.000 0.418 761 P HA 0.121 nan 4.420 nan 0.000 0.274 761 P C -0.744 176.553 177.300 -0.004 0.000 1.246 761 P CA -0.324 62.777 63.100 0.001 0.000 0.795 761 P CB 0.501 32.203 31.700 0.003 0.000 1.006 762 N N -2.381 116.316 118.700 -0.005 0.000 2.714 762 N HA -0.132 4.603 4.740 -0.009 0.000 0.250 762 N C -0.256 175.246 175.510 -0.013 0.000 1.117 762 N CA 1.488 54.532 53.050 -0.009 0.000 0.719 762 N CB -1.954 36.526 38.487 -0.011 0.000 1.081 762 N HN 0.687 nan 8.380 nan 0.000 0.557 763 T N -2.108 112.439 114.554 -0.012 0.000 2.875 763 T HA 0.638 4.983 4.350 -0.009 0.000 0.284 763 T C -2.310 172.380 174.700 -0.017 0.000 0.995 763 T CA -1.543 60.548 62.100 -0.015 0.000 1.060 763 T CB 2.354 71.215 68.868 -0.012 0.000 0.967 763 T HN -0.177 nan 8.240 nan 0.000 0.476 764 P HA 0.273 nan 4.420 nan 0.000 0.268 764 P C 1.095 178.379 177.300 -0.027 0.000 1.208 764 P CA -0.291 62.796 63.100 -0.022 0.000 0.777 764 P CB 0.254 31.942 31.700 -0.021 0.000 0.875 765 K N 0.838 121.219 120.400 -0.031 0.000 2.032 765 K HA -0.153 4.162 4.320 -0.009 0.000 0.209 765 K C 1.960 178.533 176.600 -0.046 0.000 1.048 765 K CA 2.619 58.882 56.287 -0.040 0.000 0.927 765 K CB -2.097 30.378 32.500 -0.042 0.000 0.712 765 K HN 0.603 nan 8.250 nan 0.000 0.441 766 T N 0.951 115.480 114.554 -0.042 0.000 2.699 766 T HA -0.140 4.204 4.350 -0.009 0.000 0.268 766 T C 1.929 176.606 174.700 -0.039 0.000 1.036 766 T CA 1.548 63.620 62.100 -0.045 0.000 1.147 766 T CB -0.249 68.592 68.868 -0.044 0.000 0.862 766 T HN 0.358 nan 8.240 nan 0.000 0.446 767 L N 0.152 121.358 121.223 -0.029 0.000 2.162 767 L HA 0.254 4.589 4.340 -0.009 0.000 0.205 767 L C 2.090 178.943 176.870 -0.029 0.000 1.086 767 L CA 1.218 56.046 54.840 -0.020 0.000 0.778 767 L CB -0.457 41.596 42.059 -0.009 0.000 0.928 767 L HN 0.198 nan 8.230 nan 0.000 0.446 768 L N -0.473 120.727 121.223 -0.038 0.000 2.017 768 L HA -0.220 4.114 4.340 -0.009 0.000 0.208 768 L C 2.533 179.353 176.870 -0.083 0.000 1.073 768 L CA 1.612 56.421 54.840 -0.051 0.000 0.745 768 L CB -0.555 41.476 42.059 -0.047 0.000 0.894 768 L HN 0.327 nan 8.230 nan 0.000 0.432 769 E N 0.097 120.243 120.200 -0.090 0.000 2.065 769 E HA -0.290 4.054 4.350 -0.009 0.000 0.201 769 E C 1.916 178.456 176.600 -0.100 0.000 1.016 769 E CA 1.983 58.312 56.400 -0.118 0.000 0.818 769 E CB -0.287 29.356 29.700 -0.095 0.000 0.749 769 E HN 0.520 nan 8.360 nan 0.000 0.453 770 N N -0.453 118.218 118.700 -0.049 0.000 2.104 770 N HA -0.134 4.600 4.740 -0.009 0.000 0.190 770 N C 1.813 177.316 175.510 -0.012 0.000 1.024 770 N CA 1.819 54.868 53.050 -0.002 0.000 0.853 770 N CB 0.003 38.511 38.487 0.036 0.000 1.008 770 N HN 0.074 nan 8.380 nan 0.000 0.424 771 T N 0.301 114.835 114.554 -0.033 0.000 2.720 771 T HA -0.162 4.182 4.350 -0.009 0.000 0.268 771 T C 1.971 176.639 174.700 -0.053 0.000 1.037 771 T CA 1.288 63.365 62.100 -0.039 0.000 1.144 771 T CB -0.478 68.367 68.868 -0.039 0.000 0.864 771 T HN 0.342 nan 8.240 nan 0.000 0.444 772 A N 1.448 124.201 122.820 -0.111 0.000 1.845 772 A HA -0.055 4.259 4.320 -0.009 0.000 0.215 772 A C 2.309 179.844 177.584 -0.081 0.000 1.195 772 A CA 1.489 53.398 52.037 -0.214 0.000 0.616 772 A CB -0.970 17.657 19.000 -0.621 0.000 0.832 772 A HN 0.502 nan 8.150 nan 0.000 0.443 773 I N -0.255 120.251 120.570 -0.106 0.000 2.185 773 I HA -0.295 3.869 4.170 -0.009 0.000 0.246 773 I C 2.567 178.725 176.117 0.068 0.000 1.088 773 I CA 1.925 63.227 61.300 0.005 0.000 1.347 773 I CB -0.591 37.417 38.000 0.014 0.000 1.041 773 I HN 0.287 nan 8.210 nan 0.000 0.415 774 T N 0.730 115.305 114.554 0.034 0.000 2.812 774 T HA -0.028 4.316 4.350 -0.009 0.000 0.264 774 T C 1.936 176.646 174.700 0.017 0.000 1.042 774 T CA 1.125 63.235 62.100 0.017 0.000 1.140 774 T CB -0.199 68.664 68.868 -0.009 0.000 0.870 774 T HN 0.229 nan 8.240 nan 0.000 0.445 775 I N 1.297 121.866 120.570 -0.001 0.000 2.163 775 I HA -0.161 4.004 4.170 -0.009 0.000 0.243 775 I C 2.856 178.998 176.117 0.042 0.000 1.085 775 I CA 1.350 62.604 61.300 -0.077 0.000 1.347 775 I CB -0.799 37.020 38.000 -0.301 0.000 1.044 775 I HN 0.318 nan 8.210 nan 0.000 0.408 776 G N 0.713 109.651 108.800 0.230 0.000 2.514 776 G HA2 -0.260 3.694 3.960 -0.009 0.000 0.217 776 G HA3 -0.260 3.694 3.960 -0.009 0.000 0.217 776 G C 1.786 176.804 174.900 0.197 0.000 1.198 776 G CA 0.618 45.885 45.100 0.278 0.000 0.780 776 G HN 0.276 nan 8.290 nan 0.000 0.565 777 R N -0.229 120.357 120.500 0.145 0.000 2.083 777 R HA 0.011 4.345 4.340 -0.009 0.000 0.237 777 R C 2.717 179.093 176.300 0.127 0.000 1.137 777 R CA 1.103 57.270 56.100 0.112 0.000 0.951 777 R CB -0.615 29.712 30.300 0.044 0.000 0.851 777 R HN 0.347 nan 8.270 nan 0.000 0.434 778 L N -0.422 120.848 121.223 0.079 0.000 2.046 778 L HA -0.116 4.219 4.340 -0.009 0.000 0.208 778 L C 2.590 179.509 176.870 0.082 0.000 1.077 778 L CA 1.439 56.317 54.840 0.063 0.000 0.747 778 L CB -0.829 41.243 42.059 0.022 0.000 0.896 778 L HN 0.381 nan 8.230 nan 0.000 0.432 779 G N -1.170 107.685 108.800 0.092 0.000 2.422 779 G HA2 -0.355 3.600 3.960 -0.009 0.000 0.218 779 G HA3 -0.355 3.600 3.960 -0.009 0.000 0.218 779 G C 1.480 176.455 174.900 0.125 0.000 1.146 779 G CA 0.722 45.880 45.100 0.098 0.000 0.769 779 G HN 0.371 nan 8.290 nan 0.000 0.547 780 Y N 1.545 121.873 120.300 0.047 0.000 2.293 780 Y HA -0.102 4.443 4.550 -0.009 0.000 0.291 780 Y C 2.692 178.611 175.900 0.031 0.000 1.137 780 Y CA 1.824 59.952 58.100 0.047 0.000 1.202 780 Y CB 0.116 38.614 38.460 0.062 0.000 0.990 780 Y HN 0.130 nan 8.280 nan 0.000 0.537 781 V N -4.366 115.600 119.914 0.086 0.000 3.307 781 V HA 0.135 4.249 4.120 -0.009 0.000 0.253 781 V C 0.590 176.673 176.094 -0.019 0.000 1.149 781 V CA 0.350 62.654 62.300 0.007 0.000 1.112 781 V CB -0.451 31.426 31.823 0.089 0.000 0.777 781 V HN 0.288 nan 8.190 nan 0.000 0.464 782 C N 1.540 120.843 119.300 0.005 0.000 3.498 782 C HA 0.515 4.969 4.460 -0.009 0.000 0.218 782 C C -1.548 173.445 174.990 0.005 0.000 1.284 782 C CA -0.425 58.594 59.018 0.002 0.000 1.343 782 C CB 0.481 28.233 27.740 0.020 0.000 1.825 782 C HN 0.357 nan 8.230 nan 0.000 0.518 783 P HA -0.122 nan 4.420 nan 0.000 0.221 783 P C 1.674 178.974 177.300 0.000 0.000 1.150 783 P CA 1.367 64.465 63.100 -0.004 0.000 0.800 783 P CB 0.165 31.849 31.700 -0.027 0.000 0.787 784 Q N -0.226 119.569 119.800 -0.007 0.000 2.291 784 Q HA -0.140 4.194 4.340 -0.009 0.000 0.205 784 Q C 1.512 177.515 176.000 0.006 0.000 0.970 784 Q CA 1.386 57.186 55.803 -0.005 0.000 0.876 784 Q CB -0.348 28.384 28.738 -0.010 0.000 0.935 784 Q HN 0.373 nan 8.270 nan 0.000 0.455 785 E N -0.784 119.424 120.200 0.014 0.000 2.251 785 E HA -0.003 4.341 4.350 -0.009 0.000 0.194 785 E C 2.043 178.666 176.600 0.038 0.000 0.964 785 E CA 0.334 56.748 56.400 0.024 0.000 0.868 785 E CB 0.245 29.958 29.700 0.023 0.000 0.828 785 E HN 0.051 nan 8.360 nan 0.000 0.481 786 V N 0.693 120.635 119.914 0.047 0.000 2.426 786 V HA 0.023 4.138 4.120 -0.009 0.000 0.242 786 V C 2.230 178.392 176.094 0.114 0.000 1.036 786 V CA 1.304 63.654 62.300 0.083 0.000 1.044 786 V CB -0.794 31.076 31.823 0.077 0.000 0.688 786 V HN 0.263 nan 8.190 nan 0.000 0.462 787 A N 1.001 123.857 122.820 0.060 0.000 1.948 787 A HA -0.159 4.155 4.320 -0.009 0.000 0.220 787 A C 0.504 178.074 177.584 -0.023 0.000 1.177 787 A CA 2.200 54.243 52.037 0.011 0.000 0.636 787 A CB -1.999 16.992 19.000 -0.015 0.000 0.815 787 A HN 0.521 nan 8.150 nan 0.000 0.449 788 P HA -0.159 nan 4.420 nan 0.000 0.219 788 P C 1.079 178.362 177.300 -0.030 0.000 1.144 788 P CA 1.367 64.459 63.100 -0.014 0.000 0.806 788 P CB -0.089 31.616 31.700 0.009 0.000 0.771 789 M N -2.681 116.912 119.600 -0.012 0.000 2.404 789 M HA 0.088 4.562 4.480 -0.009 0.000 0.271 789 M C 1.249 177.376 176.300 -0.287 0.000 1.128 789 M CA -0.305 54.975 55.300 -0.033 0.000 0.982 789 M CB -0.013 32.640 32.600 0.088 0.000 1.445 789 M HN -0.108 nan 8.290 nan 0.000 0.495 790 L N 1.416 122.383 121.223 -0.427 0.000 2.089 790 L HA -0.254 4.080 4.340 -0.009 0.000 0.213 790 L C 2.234 178.588 176.870 -0.860 0.000 1.079 790 L CA 2.201 56.504 54.840 -0.895 0.000 0.758 790 L CB -0.830 40.955 42.059 -0.457 0.000 0.891 790 L HN 0.421 nan 8.230 nan 0.000 0.433 791 Q N -1.020 118.515 119.800 -0.441 0.000 2.135 791 Q HA -0.259 4.075 4.340 -0.009 0.000 0.204 791 Q C 2.029 177.873 176.000 -0.259 0.000 0.981 791 Q CA 1.972 57.606 55.803 -0.282 0.000 0.856 791 Q CB -0.028 28.620 28.738 -0.149 0.000 0.902 791 Q HN 0.664 nan 8.270 nan 0.000 0.425 792 Q N -0.977 118.675 119.800 -0.246 0.000 2.451 792 Q HA -0.023 4.311 4.340 -0.009 0.000 0.206 792 Q C 0.494 176.492 176.000 -0.003 0.000 0.947 792 Q CA 0.709 56.460 55.803 -0.087 0.000 0.937 792 Q CB 0.376 29.110 28.738 -0.007 0.000 1.025 792 Q HN 0.558 nan 8.270 nan 0.000 0.511 793 F N -3.814 116.101 119.950 -0.058 0.000 2.856 793 F HA 0.369 4.890 4.527 -0.009 0.000 0.338 793 F C 0.821 176.611 175.800 -0.017 0.000 1.100 793 F CA -0.640 57.341 58.000 -0.031 0.000 1.150 793 F CB -0.363 38.631 39.000 -0.010 0.000 1.101 793 F HN -0.118 nan 8.300 nan 0.000 0.548 794 I N -0.251 120.218 120.570 -0.169 0.000 2.353 794 I HA -0.053 4.111 4.170 -0.009 0.000 0.248 794 I C 2.611 178.724 176.117 -0.007 0.000 1.119 794 I CA 0.846 62.111 61.300 -0.058 0.000 1.417 794 I CB -0.701 37.206 38.000 -0.156 0.000 1.078 794 I HN 0.060 nan 8.210 nan 0.000 0.421 795 R N 1.628 122.014 120.500 -0.189 0.000 2.154 795 R HA -0.178 4.156 4.340 -0.009 0.000 0.236 795 R C -0.512 175.603 176.300 -0.309 0.000 1.121 795 R CA 2.646 58.445 56.100 -0.502 0.000 0.915 795 R CB -1.577 28.500 30.300 -0.371 0.000 0.856 795 R HN 0.312 nan 8.270 nan 0.000 0.431 796 P HA -0.035 nan 4.420 nan 0.000 0.226 796 P C 0.632 177.990 177.300 0.097 0.000 1.161 796 P CA 0.576 63.676 63.100 -0.000 0.000 0.804 796 P CB -0.264 31.451 31.700 0.024 0.000 0.829 797 W N 0.822 122.125 121.300 0.005 0.000 2.301 797 W HA -0.299 4.355 4.660 -0.009 0.000 0.325 797 W C 2.101 178.624 176.519 0.007 0.000 1.250 797 W CA 1.948 59.309 57.345 0.026 0.000 1.261 797 W CB -1.026 28.511 29.460 0.128 0.000 1.157 797 W HN -0.063 nan 8.180 nan 0.000 0.473 798 C N -0.378 119.200 119.300 0.463 0.000 2.446 798 C HA -0.179 4.275 4.460 -0.009 0.000 0.277 798 C C 2.548 177.654 174.990 0.193 0.000 1.275 798 C CA 1.771 61.015 59.018 0.377 0.000 1.727 798 C CB -1.510 26.498 27.740 0.448 0.000 2.010 798 C HN 0.434 nan 8.230 nan 0.000 0.486 799 T N -0.178 114.468 114.554 0.153 0.000 2.759 799 T HA -0.187 4.157 4.350 -0.009 0.000 0.269 799 T C 1.974 176.690 174.700 0.027 0.000 1.042 799 T CA 2.004 64.174 62.100 0.117 0.000 1.140 799 T CB -0.272 68.642 68.868 0.077 0.000 0.864 799 T HN 0.575 nan 8.240 nan 0.000 0.455 800 S N -0.048 115.628 115.700 -0.040 0.000 2.427 800 S HA 0.252 4.716 4.470 -0.009 0.000 0.224 800 S C 1.819 176.320 174.600 -0.165 0.000 1.047 800 S CA 0.028 58.166 58.200 -0.103 0.000 0.953 800 S CB -0.205 62.916 63.200 -0.131 0.000 0.824 800 S HN 0.365 nan 8.310 nan 0.000 0.502 801 L N 2.069 123.124 121.223 -0.280 0.000 2.395 801 L HA 0.083 4.418 4.340 -0.009 0.000 0.218 801 L C 2.397 179.205 176.870 -0.103 0.000 1.130 801 L CA 0.716 55.372 54.840 -0.307 0.000 0.826 801 L CB -0.392 41.236 42.059 -0.718 0.000 0.941 801 L HN 0.418 nan 8.230 nan 0.000 0.451 802 R N -0.586 119.896 120.500 -0.030 0.000 2.293 802 R HA -0.097 4.237 4.340 -0.009 0.000 0.219 802 R C 1.070 177.325 176.300 -0.075 0.000 1.091 802 R CA 1.099 57.196 56.100 -0.005 0.000 1.004 802 R CB -0.338 29.989 30.300 0.045 0.000 0.865 802 R HN 0.259 nan 8.270 nan 0.000 0.469 803 N N 0.930 119.579 118.700 -0.086 0.000 2.280 803 N HA 0.151 4.885 4.740 -0.009 0.000 0.192 803 N C 0.064 175.506 175.510 -0.113 0.000 1.109 803 N CA 0.181 53.177 53.050 -0.089 0.000 0.855 803 N CB 0.422 38.868 38.487 -0.068 0.000 0.974 803 N HN 0.410 nan 8.380 nan 0.000 0.482 804 I N -3.043 117.439 120.570 -0.147 0.000 2.562 804 I HA 0.618 4.783 4.170 -0.009 0.000 0.301 804 I C 0.832 176.821 176.117 -0.214 0.000 1.003 804 I CA -1.334 59.873 61.300 -0.155 0.000 1.127 804 I CB 1.013 38.931 38.000 -0.137 0.000 1.304 804 I HN -0.248 nan 8.210 nan 0.000 0.446 805 R N 2.171 122.567 120.500 -0.173 0.000 2.817 805 R HA 0.043 4.377 4.340 -0.009 0.000 0.264 805 R C -0.176 175.963 176.300 -0.268 0.000 1.009 805 R CA 0.201 56.191 56.100 -0.185 0.000 1.133 805 R CB -0.513 29.722 30.300 -0.108 0.000 1.013 805 R HN 0.787 nan 8.270 nan 0.000 0.453 806 D N 1.833 122.066 120.400 -0.278 0.000 2.545 806 D HA 0.049 4.683 4.640 -0.009 0.000 0.227 806 D C -0.168 176.090 176.300 -0.070 0.000 1.150 806 D CA 0.325 54.112 54.000 -0.354 0.000 1.046 806 D CB -0.411 40.291 40.800 -0.162 0.000 1.098 806 D HN 0.665 nan 8.370 nan 0.000 0.502 807 N N -0.395 118.273 118.700 -0.055 0.000 2.741 807 N HA 0.134 4.869 4.740 -0.009 0.000 0.310 807 N C 0.874 176.457 175.510 0.122 0.000 1.295 807 N CA -0.727 52.350 53.050 0.044 0.000 0.893 807 N CB 1.719 40.214 38.487 0.013 0.000 1.247 807 N HN -0.176 nan 8.380 nan 0.000 0.596 808 E N 0.576 120.838 120.200 0.103 0.000 2.085 808 E HA -0.242 4.102 4.350 -0.009 0.000 0.194 808 E C 1.623 178.294 176.600 0.119 0.000 0.994 808 E CA 1.565 58.030 56.400 0.108 0.000 0.801 808 E CB -0.133 29.610 29.700 0.072 0.000 0.743 808 E HN 0.760 nan 8.360 nan 0.000 0.453 809 E N 0.603 120.865 120.200 0.103 0.000 2.072 809 E HA -0.207 4.138 4.350 -0.009 0.000 0.191 809 E C 2.143 178.841 176.600 0.163 0.000 0.985 809 E CA 1.012 57.477 56.400 0.108 0.000 0.801 809 E CB -0.436 29.318 29.700 0.090 0.000 0.750 809 E HN 0.097 nan 8.360 nan 0.000 0.452 810 K N 1.137 121.646 120.400 0.182 0.000 2.026 810 K HA -0.221 4.093 4.320 -0.009 0.000 0.208 810 K C 1.912 178.907 176.600 0.659 0.000 1.048 810 K CA 1.924 58.405 56.287 0.323 0.000 0.929 810 K CB -0.209 32.332 32.500 0.068 0.000 0.713 810 K HN 0.083 nan 8.250 nan 0.000 0.439 811 D N -0.186 120.578 120.400 0.607 0.000 2.137 811 D HA -0.169 4.465 4.640 -0.009 0.000 0.189 811 D C 1.655 178.141 176.300 0.310 0.000 0.998 811 D CA 2.301 56.592 54.000 0.484 0.000 0.839 811 D CB -0.050 40.917 40.800 0.279 0.000 0.962 811 D HN 0.104 nan 8.370 nan 0.000 0.446 812 S N -0.495 115.303 115.700 0.165 0.000 2.419 812 S HA -0.176 4.288 4.470 -0.009 0.000 0.235 812 S C 1.932 176.601 174.600 0.115 0.000 1.019 812 S CA 1.004 59.208 58.200 0.006 0.000 0.982 812 S CB -0.355 62.821 63.200 -0.041 0.000 0.789 812 S HN 0.476 nan 8.310 nan 0.000 0.490 813 A N 0.474 123.466 122.820 0.286 0.000 1.898 813 A HA 0.161 4.475 4.320 -0.009 0.000 0.214 813 A C 1.770 179.682 177.584 0.545 0.000 1.183 813 A CA 0.782 53.043 52.037 0.373 0.000 0.622 813 A CB -0.683 18.493 19.000 0.294 0.000 0.824 813 A HN 0.459 nan 8.150 nan 0.000 0.444 814 F N 0.328 120.618 119.950 0.567 0.000 2.325 814 F HA -0.033 4.489 4.527 -0.009 0.000 0.299 814 F C 2.508 178.557 175.800 0.414 0.000 1.090 814 F CA 1.082 59.483 58.000 0.668 0.000 1.392 814 F CB -0.045 39.449 39.000 0.823 0.000 1.053 814 F HN 0.113 nan 8.300 nan 0.000 0.521 815 R N -0.208 120.548 120.500 0.426 0.000 2.120 815 R HA -0.107 4.227 4.340 -0.009 0.000 0.234 815 R C 2.546 179.093 176.300 0.411 0.000 1.123 815 R CA 1.103 57.401 56.100 0.331 0.000 0.975 815 R CB -1.197 29.234 30.300 0.219 0.000 0.866 815 R HN 0.385 nan 8.270 nan 0.000 0.446 816 G N 2.327 111.354 108.800 0.378 0.000 2.446 816 G HA2 -0.255 3.699 3.960 -0.009 0.000 0.217 816 G HA3 -0.255 3.699 3.960 -0.009 0.000 0.217 816 G C 1.562 176.554 174.900 0.152 0.000 1.168 816 G CA 1.195 46.476 45.100 0.302 0.000 0.771 816 G HN 0.400 nan 8.290 nan 0.000 0.551 817 I N -1.055 119.556 120.570 0.067 0.000 2.252 817 I HA -0.076 4.089 4.170 -0.009 0.000 0.245 817 I C 2.617 178.756 176.117 0.038 0.000 1.102 817 I CA 0.752 61.999 61.300 -0.089 0.000 1.385 817 I CB -1.001 36.776 38.000 -0.372 0.000 1.064 817 I HN 0.085 nan 8.210 nan 0.000 0.414 818 C N 1.534 120.948 119.300 0.190 0.000 2.413 818 C HA -0.145 4.309 4.460 -0.009 0.000 0.276 818 C C 3.016 178.059 174.990 0.089 0.000 1.236 818 C CA 1.850 60.978 59.018 0.183 0.000 1.735 818 C CB -1.462 26.429 27.740 0.251 0.000 2.031 818 C HN 0.584 nan 8.230 nan 0.000 0.474 819 T N 0.675 115.284 114.554 0.092 0.000 2.881 819 T HA -0.139 4.205 4.350 -0.009 0.000 0.270 819 T C 1.686 176.387 174.700 0.002 0.000 1.068 819 T CA 1.360 63.476 62.100 0.026 0.000 1.131 819 T CB -0.227 68.631 68.868 -0.017 0.000 0.871 819 T HN 0.512 nan 8.240 nan 0.000 0.479 820 M N -0.092 119.513 119.600 0.009 0.000 2.287 820 M HA 0.176 4.651 4.480 -0.009 0.000 0.266 820 M C 2.019 178.288 176.300 -0.051 0.000 1.079 820 M CA 1.173 56.462 55.300 -0.018 0.000 1.146 820 M CB -0.241 32.351 32.600 -0.012 0.000 1.374 820 M HN 0.187 nan 8.290 nan 0.000 0.435 821 I N -0.329 120.201 120.570 -0.067 0.000 2.202 821 I HA -0.222 3.943 4.170 -0.009 0.000 0.242 821 I C 2.129 178.215 176.117 -0.052 0.000 1.091 821 I CA 1.298 62.540 61.300 -0.097 0.000 1.368 821 I CB -0.402 37.499 38.000 -0.166 0.000 1.058 821 I HN 0.284 nan 8.210 nan 0.000 0.410 822 S N -0.352 115.334 115.700 -0.024 0.000 2.881 822 S HA 0.085 4.549 4.470 -0.009 0.000 0.228 822 S C 1.098 175.686 174.600 -0.020 0.000 0.965 822 S CA 0.086 58.278 58.200 -0.012 0.000 0.998 822 S CB -0.087 63.115 63.200 0.004 0.000 0.795 822 S HN 0.233 nan 8.310 nan 0.000 0.518 823 V N 0.653 120.550 119.914 -0.029 0.000 3.251 823 V HA 0.344 4.458 4.120 -0.009 0.000 0.239 823 V C 0.665 176.739 176.094 -0.033 0.000 1.332 823 V CA 0.359 62.642 62.300 -0.028 0.000 1.224 823 V CB 0.198 32.005 31.823 -0.027 0.000 1.004 823 V HN 0.716 nan 8.190 nan 0.000 0.464 824 N N 0.800 119.474 118.700 -0.044 0.000 2.750 824 N HA 0.195 4.929 4.740 -0.009 0.000 0.253 824 N C -2.431 173.042 175.510 -0.060 0.000 1.408 824 N CA -1.130 51.890 53.050 -0.050 0.000 0.780 824 N CB 2.191 40.643 38.487 -0.059 0.000 1.191 824 N HN 0.099 nan 8.380 nan 0.000 0.511 825 P HA -0.027 nan 4.420 nan 0.000 0.222 825 P C 1.134 178.421 177.300 -0.022 0.000 1.147 825 P CA 0.907 63.988 63.100 -0.032 0.000 0.790 825 P CB 0.312 32.005 31.700 -0.011 0.000 0.780 826 S N -0.310 115.374 115.700 -0.027 0.000 2.399 826 S HA -0.112 4.353 4.470 -0.009 0.000 0.231 826 S C 2.281 176.861 174.600 -0.034 0.000 1.022 826 S CA 1.421 59.609 58.200 -0.020 0.000 0.983 826 S CB -1.634 61.553 63.200 -0.023 0.000 0.803 826 S HN 0.287 nan 8.310 nan 0.000 0.480 827 G N 1.480 110.236 108.800 -0.073 0.000 2.422 827 G HA2 -0.135 3.820 3.960 -0.009 0.000 0.218 827 G HA3 -0.135 3.820 3.960 -0.009 0.000 0.218 827 G C 1.342 176.175 174.900 -0.112 0.000 1.146 827 G CA 1.216 46.242 45.100 -0.124 0.000 0.769 827 G HN 0.503 nan 8.290 nan 0.000 0.547 828 V N 0.669 120.539 119.914 -0.074 0.000 2.685 828 V HA 0.082 4.196 4.120 -0.009 0.000 0.244 828 V C 2.659 178.827 176.094 0.123 0.000 1.054 828 V CA 0.582 62.865 62.300 -0.028 0.000 1.076 828 V CB -0.344 31.423 31.823 -0.093 0.000 0.725 828 V HN 0.326 nan 8.190 nan 0.000 0.467 829 I N 0.375 121.020 120.570 0.124 0.000 2.087 829 I HA -0.328 3.836 4.170 -0.009 0.000 0.240 829 I C 2.809 179.037 176.117 0.184 0.000 1.054 829 I CA 1.740 63.138 61.300 0.163 0.000 1.311 829 I CB -0.605 37.478 38.000 0.137 0.000 1.024 829 I HN 0.296 nan 8.210 nan 0.000 0.402 830 Q N 0.293 120.173 119.800 0.132 0.000 2.248 830 Q HA -0.215 4.119 4.340 -0.009 0.000 0.208 830 Q C 0.678 176.793 176.000 0.191 0.000 0.984 830 Q CA 1.432 57.316 55.803 0.137 0.000 0.875 830 Q CB -0.326 28.462 28.738 0.084 0.000 0.910 830 Q HN 0.649 nan 8.270 nan 0.000 0.433 831 D N -1.111 119.414 120.400 0.208 0.000 2.623 831 D HA 0.065 4.699 4.640 -0.009 0.000 0.252 831 D C 0.605 177.120 176.300 0.358 0.000 1.294 831 D CA -0.253 53.923 54.000 0.294 0.000 0.824 831 D CB -0.092 40.830 40.800 0.203 0.000 1.070 831 D HN 0.064 nan 8.370 nan 0.000 0.487 832 F N 1.429 121.472 119.950 0.154 0.000 2.307 832 F HA -0.184 4.338 4.527 -0.009 0.000 0.301 832 F C 1.792 177.785 175.800 0.320 0.000 1.076 832 F CA 0.994 59.046 58.000 0.087 0.000 1.383 832 F CB 0.022 38.805 39.000 -0.362 0.000 1.055 832 F HN -0.089 nan 8.300 nan 0.000 0.526 833 I N -0.647 120.188 120.570 0.441 0.000 2.194 833 I HA -0.330 3.835 4.170 -0.009 0.000 0.246 833 I C 2.117 178.261 176.117 0.045 0.000 1.093 833 I CA 1.661 63.096 61.300 0.225 0.000 1.355 833 I CB -1.175 36.772 38.000 -0.088 0.000 1.046 833 I HN -0.003 nan 8.210 nan 0.000 0.413 834 F N -0.584 119.439 119.950 0.122 0.000 2.186 834 F HA -0.179 4.343 4.527 -0.010 0.000 0.299 834 F C 2.363 178.209 175.800 0.077 0.000 1.090 834 F CA 1.346 59.404 58.000 0.095 0.000 1.307 834 F CB -0.652 38.415 39.000 0.111 0.000 1.019 834 F HN 0.010 nan 8.300 nan 0.000 0.489 835 F N 0.162 120.118 119.950 0.009 0.000 2.134 835 F HA -0.228 4.293 4.527 -0.009 0.000 0.299 835 F C 2.303 177.992 175.800 -0.186 0.000 1.097 835 F CA 1.103 59.014 58.000 -0.148 0.000 1.264 835 F CB -0.814 37.880 39.000 -0.510 0.000 1.001 835 F HN -0.038 nan 8.300 nan 0.000 0.479 836 C N 0.359 119.520 119.300 -0.232 0.000 2.432 836 C HA -0.195 4.259 4.460 -0.009 0.000 0.277 836 C C 2.646 177.444 174.990 -0.319 0.000 1.249 836 C CA 1.402 60.246 59.018 -0.290 0.000 1.725 836 C CB -1.167 26.525 27.740 -0.079 0.000 2.028 836 C HN 0.572 nan 8.230 nan 0.000 0.477 837 D N 0.880 121.161 120.400 -0.199 0.000 2.123 837 D HA -0.116 4.518 4.640 -0.009 0.000 0.196 837 D C 2.211 178.458 176.300 -0.087 0.000 0.992 837 D CA 1.837 55.752 54.000 -0.142 0.000 0.833 837 D CB -0.248 40.515 40.800 -0.062 0.000 0.954 837 D HN 0.428 nan 8.370 nan 0.000 0.455 838 A N 0.133 122.934 122.820 -0.031 0.000 1.877 838 A HA -0.126 4.188 4.320 -0.009 0.000 0.216 838 A C 2.671 180.229 177.584 -0.044 0.000 1.186 838 A CA 1.849 53.955 52.037 0.115 0.000 0.620 838 A CB -0.833 18.386 19.000 0.365 0.000 0.822 838 A HN 0.203 nan 8.150 nan 0.000 0.443 839 V N -0.105 119.566 119.914 -0.406 0.000 2.295 839 V HA -0.219 3.895 4.120 -0.009 0.000 0.246 839 V C 2.979 178.951 176.094 -0.203 0.000 1.049 839 V CA 1.842 63.742 62.300 -0.668 0.000 1.024 839 V CB -1.295 29.836 31.823 -1.154 0.000 0.648 839 V HN 0.597 nan 8.190 nan 0.000 0.447 840 A N 0.396 123.115 122.820 -0.169 0.000 2.178 840 A HA -0.186 4.128 4.320 -0.009 0.000 0.218 840 A C 2.508 180.082 177.584 -0.017 0.000 1.157 840 A CA 1.903 53.916 52.037 -0.040 0.000 0.689 840 A CB -0.572 18.347 19.000 -0.134 0.000 0.787 840 A HN 0.669 nan 8.150 nan 0.000 0.465 841 S N -1.716 113.957 115.700 -0.043 0.000 2.395 841 S HA -0.095 4.370 4.470 -0.009 0.000 0.225 841 S C 0.477 175.025 174.600 -0.087 0.000 1.027 841 S CA -0.203 57.947 58.200 -0.084 0.000 0.965 841 S CB -0.539 62.588 63.200 -0.122 0.000 0.812 841 S HN 0.519 nan 8.310 nan 0.000 0.482 842 W N 1.600 122.824 121.300 -0.127 0.000 2.347 842 W HA 0.306 4.960 4.660 -0.009 0.000 0.333 842 W C 1.068 177.564 176.519 -0.038 0.000 1.383 842 W CA -0.402 56.907 57.345 -0.060 0.000 1.283 842 W CB 0.172 29.642 29.460 0.018 0.000 1.253 842 W HN 0.208 nan 8.180 nan 0.000 0.563 843 I N 2.113 122.776 120.570 0.154 0.000 2.405 843 I HA -0.103 4.061 4.170 -0.009 0.000 0.236 843 I C 0.937 177.093 176.117 0.065 0.000 1.071 843 I CA 0.728 62.034 61.300 0.010 0.000 1.398 843 I CB -0.347 37.636 38.000 -0.028 0.000 1.162 843 I HN 0.286 nan 8.210 nan 0.000 0.432 844 N N 1.538 120.368 118.700 0.215 0.000 2.626 844 N HA 0.322 5.056 4.740 -0.009 0.000 0.242 844 N C -2.714 173.034 175.510 0.397 0.000 1.005 844 N CA -2.007 51.202 53.050 0.264 0.000 0.905 844 N CB 0.852 39.429 38.487 0.151 0.000 1.128 844 N HN -0.094 nan 8.380 nan 0.000 0.512 845 P HA 0.303 nan 4.420 nan 0.000 0.284 845 P C -0.458 176.821 177.300 -0.036 0.000 1.258 845 P CA -0.458 62.624 63.100 -0.030 0.000 0.824 845 P CB 0.404 31.878 31.700 -0.377 0.000 1.038 846 K N 0.997 121.334 120.400 -0.106 0.000 2.436 846 K HA -0.025 4.289 4.320 -0.009 0.000 0.275 846 K C 0.865 177.390 176.600 -0.125 0.000 0.999 846 K CA 0.303 56.547 56.287 -0.073 0.000 0.980 846 K CB -0.755 31.707 32.500 -0.064 0.000 0.919 846 K HN 0.575 nan 8.250 nan 0.000 0.484 847 D N 1.228 121.580 120.400 -0.081 0.000 2.178 847 D HA -0.175 4.460 4.640 -0.009 0.000 0.201 847 D C 1.408 177.634 176.300 -0.125 0.000 0.980 847 D CA 1.915 55.856 54.000 -0.098 0.000 0.842 847 D CB 0.225 40.987 40.800 -0.064 0.000 0.948 847 D HN 0.788 nan 8.370 nan 0.000 0.472 848 D N -0.174 120.158 120.400 -0.113 0.000 2.264 848 D HA -0.157 4.477 4.640 -0.009 0.000 0.208 848 D C 2.162 178.351 176.300 -0.185 0.000 0.966 848 D CA 0.286 54.218 54.000 -0.112 0.000 0.864 848 D CB -0.585 40.174 40.800 -0.069 0.000 0.933 848 D HN 0.315 nan 8.370 nan 0.000 0.499 849 L N 0.315 121.365 121.223 -0.290 0.000 2.131 849 L HA 0.122 4.456 4.340 -0.009 0.000 0.206 849 L C 2.607 179.055 176.870 -0.704 0.000 1.087 849 L CA 0.950 55.458 54.840 -0.552 0.000 0.767 849 L CB -0.445 41.198 42.059 -0.693 0.000 0.917 849 L HN -0.154 nan 8.230 nan 0.000 0.441 850 R N -0.435 119.827 120.500 -0.396 0.000 2.105 850 R HA -0.192 4.142 4.340 -0.009 0.000 0.239 850 R C 1.719 178.009 176.300 -0.018 0.000 1.135 850 R CA 1.929 57.950 56.100 -0.132 0.000 0.967 850 R CB -0.221 29.951 30.300 -0.214 0.000 0.861 850 R HN 0.415 nan 8.270 nan 0.000 0.442 851 D N 0.097 120.438 120.400 -0.098 0.000 2.084 851 D HA -0.174 4.460 4.640 -0.009 0.000 0.194 851 D C 1.940 178.245 176.300 0.008 0.000 0.990 851 D CA 1.605 55.586 54.000 -0.033 0.000 0.826 851 D CB -0.195 40.571 40.800 -0.057 0.000 0.971 851 D HN 0.279 nan 8.370 nan 0.000 0.453 852 M N -0.462 119.096 119.600 -0.070 0.000 2.082 852 M HA -0.150 4.324 4.480 -0.009 0.000 0.258 852 M C 2.220 178.623 176.300 0.172 0.000 1.069 852 M CA 1.432 56.731 55.300 -0.002 0.000 1.102 852 M CB -0.584 31.965 32.600 -0.085 0.000 1.336 852 M HN 0.011 nan 8.290 nan 0.000 0.404 853 F N -0.344 119.664 119.950 0.097 0.000 2.126 853 F HA -0.332 4.189 4.527 -0.010 0.000 0.299 853 F C 2.937 178.777 175.800 0.066 0.000 1.096 853 F CA 0.647 58.687 58.000 0.066 0.000 1.255 853 F CB -0.589 38.331 39.000 -0.134 0.000 0.997 853 F HN 0.323 nan 8.300 nan 0.000 0.479 854 C N 1.090 120.585 119.300 0.325 0.000 2.455 854 C HA -0.235 4.219 4.460 -0.009 0.000 0.281 854 C C 3.208 178.371 174.990 0.288 0.000 1.237 854 C CA 2.446 61.662 59.018 0.331 0.000 1.726 854 C CB -1.328 26.574 27.740 0.270 0.000 2.068 854 C HN 0.502 nan 8.230 nan 0.000 0.466 855 K N 0.470 120.982 120.400 0.187 0.000 2.089 855 K HA -0.185 4.129 4.320 -0.009 0.000 0.210 855 K C 1.485 178.193 176.600 0.181 0.000 1.048 855 K CA 2.259 58.631 56.287 0.141 0.000 0.926 855 K CB -1.005 31.544 32.500 0.082 0.000 0.714 855 K HN 0.705 nan 8.250 nan 0.000 0.448 856 I N 0.371 121.082 120.570 0.235 0.000 2.113 856 I HA -0.227 3.937 4.170 -0.009 0.000 0.238 856 I C 2.639 178.953 176.117 0.329 0.000 1.070 856 I CA 1.415 62.874 61.300 0.265 0.000 1.332 856 I CB -0.903 37.294 38.000 0.329 0.000 1.044 856 I HN 0.237 nan 8.210 nan 0.000 0.402 857 L N -0.168 121.278 121.223 0.372 0.000 2.046 857 L HA -0.238 4.096 4.340 -0.009 0.000 0.208 857 L C 2.732 179.630 176.870 0.045 0.000 1.077 857 L CA 1.541 56.573 54.840 0.321 0.000 0.747 857 L CB -0.843 41.353 42.059 0.228 0.000 0.896 857 L HN 0.248 nan 8.230 nan 0.000 0.432 858 H N -0.665 118.417 119.070 0.021 0.000 2.357 858 H HA -0.083 4.467 4.556 -0.009 0.000 0.301 858 H C 2.249 177.521 175.328 -0.094 0.000 1.082 858 H CA 1.452 57.448 56.048 -0.086 0.000 1.342 858 H CB -0.489 29.248 29.762 -0.041 0.000 1.389 858 H HN 0.295 nan 8.280 nan 0.000 0.511 859 G N -0.567 108.294 108.800 0.102 0.000 2.485 859 G HA2 -0.304 3.651 3.960 -0.009 0.000 0.221 859 G HA3 -0.304 3.651 3.960 -0.009 0.000 0.221 859 G C 1.512 176.391 174.900 -0.035 0.000 1.115 859 G CA 0.902 46.020 45.100 0.031 0.000 0.751 859 G HN 0.369 nan 8.290 nan 0.000 0.567 860 F N 0.937 120.757 119.950 -0.217 0.000 2.123 860 F HA 0.207 4.728 4.527 -0.009 0.000 0.289 860 F C 2.562 178.141 175.800 -0.369 0.000 1.099 860 F CA 1.557 59.325 58.000 -0.386 0.000 1.234 860 F CB -0.253 38.332 39.000 -0.691 0.000 1.034 860 F HN 0.060 nan 8.300 nan 0.000 0.479 861 K N 0.296 120.408 120.400 -0.479 0.000 2.089 861 K HA -0.260 4.055 4.320 -0.009 0.000 0.210 861 K C 1.780 178.129 176.600 -0.419 0.000 1.048 861 K CA 2.012 57.900 56.287 -0.665 0.000 0.926 861 K CB -0.261 31.549 32.500 -1.150 0.000 0.714 861 K HN 0.258 nan 8.250 nan 0.000 0.448 862 N N 0.759 119.279 118.700 -0.301 0.000 2.084 862 N HA -0.195 4.539 4.740 -0.009 0.000 0.190 862 N C 1.789 177.169 175.510 -0.217 0.000 1.030 862 N CA 1.361 54.295 53.050 -0.194 0.000 0.849 862 N CB -0.454 37.967 38.487 -0.110 0.000 1.012 862 N HN 0.294 nan 8.380 nan 0.000 0.423 863 Q N 0.881 120.512 119.800 -0.283 0.000 2.050 863 Q HA 0.004 4.338 4.340 -0.009 0.000 0.202 863 Q C 1.860 177.657 176.000 -0.337 0.000 0.980 863 Q CA 1.334 56.965 55.803 -0.286 0.000 0.840 863 Q CB -0.482 28.068 28.738 -0.312 0.000 0.898 863 Q HN 0.137 nan 8.270 nan 0.000 0.424 864 V N -0.652 118.950 119.914 -0.520 0.000 2.323 864 V HA 0.137 4.252 4.120 -0.009 0.000 0.244 864 V C 1.008 176.965 176.094 -0.228 0.000 1.041 864 V CA 1.443 63.474 62.300 -0.447 0.000 1.025 864 V CB -0.641 30.755 31.823 -0.711 0.000 0.656 864 V HN 0.697 nan 8.190 nan 0.000 0.451 865 G N 0.060 108.744 108.800 -0.193 0.000 2.784 865 G HA2 -0.139 3.815 3.960 -0.009 0.000 0.686 865 G HA3 -0.139 3.815 3.960 -0.009 0.000 0.686 865 G C -0.223 174.679 174.900 0.004 0.000 1.156 865 G CA -0.106 44.939 45.100 -0.092 0.000 0.757 865 G HN 0.195 nan 8.290 nan 0.000 0.642 866 D N 0.317 120.732 120.400 0.025 0.000 2.254 866 D HA -0.137 4.497 4.640 -0.009 0.000 0.201 866 D C 1.969 178.365 176.300 0.160 0.000 0.998 866 D CA 1.798 55.871 54.000 0.120 0.000 0.885 866 D CB 0.139 40.987 40.800 0.080 0.000 0.915 866 D HN 0.653 nan 8.370 nan 0.000 0.460 867 E N 1.215 121.468 120.200 0.087 0.000 2.007 867 E HA -0.169 4.176 4.350 -0.009 0.000 0.194 867 E C 1.491 178.140 176.600 0.081 0.000 0.999 867 E CA 1.699 58.140 56.400 0.068 0.000 0.811 867 E CB -0.305 29.414 29.700 0.031 0.000 0.762 867 E HN 0.287 nan 8.360 nan 0.000 0.450 868 N N 0.300 119.042 118.700 0.070 0.000 2.270 868 N HA -0.117 4.617 4.740 -0.009 0.000 0.181 868 N C 1.581 177.175 175.510 0.140 0.000 1.016 868 N CA 1.015 54.106 53.050 0.069 0.000 0.870 868 N CB -0.875 37.621 38.487 0.016 0.000 0.979 868 N HN 0.361 nan 8.380 nan 0.000 0.431 869 W N 2.644 123.945 121.300 0.002 0.000 2.350 869 W HA -0.084 4.570 4.660 -0.009 0.000 0.289 869 W C 1.828 178.446 176.519 0.166 0.000 1.215 869 W CA 1.073 58.475 57.345 0.095 0.000 1.236 869 W CB -0.124 29.357 29.460 0.035 0.000 1.130 869 W HN 0.115 nan 8.180 nan 0.000 0.541 870 R N 1.004 121.566 120.500 0.104 0.000 2.073 870 R HA -0.205 4.129 4.340 -0.009 0.000 0.234 870 R C 2.572 178.820 176.300 -0.087 0.000 1.134 870 R CA 2.394 58.499 56.100 0.008 0.000 0.952 870 R CB -0.431 29.912 30.300 0.072 0.000 0.850 870 R HN 0.278 nan 8.270 nan 0.000 0.433 871 R N -1.117 119.358 120.500 -0.042 0.000 2.148 871 R HA -0.088 4.247 4.340 -0.009 0.000 0.223 871 R C 2.161 178.375 176.300 -0.143 0.000 1.088 871 R CA 1.154 57.209 56.100 -0.074 0.000 0.985 871 R CB -0.849 29.435 30.300 -0.027 0.000 0.880 871 R HN 0.193 nan 8.270 nan 0.000 0.451 872 F N 2.505 122.283 119.950 -0.287 0.000 2.171 872 F HA -0.063 4.458 4.527 -0.009 0.000 0.300 872 F C 1.608 176.944 175.800 -0.773 0.000 1.090 872 F CA 1.463 59.223 58.000 -0.399 0.000 1.293 872 F CB 0.059 38.918 39.000 -0.235 0.000 1.013 872 F HN -0.069 nan 8.300 nan 0.000 0.486 873 S N -0.371 114.880 115.700 -0.747 0.000 2.561 873 S HA -0.086 4.378 4.470 -0.009 0.000 0.225 873 S C 1.235 175.488 174.600 -0.578 0.000 0.977 873 S CA 0.653 58.361 58.200 -0.820 0.000 0.926 873 S CB -0.281 62.654 63.200 -0.443 0.000 0.769 873 S HN 0.415 nan 8.310 nan 0.000 0.533 874 D N 1.606 121.716 120.400 -0.483 0.000 2.333 874 D HA 0.030 4.665 4.640 -0.009 0.000 0.208 874 D C 1.835 177.928 176.300 -0.344 0.000 0.984 874 D CA 0.429 54.250 54.000 -0.299 0.000 0.873 874 D CB 0.017 40.702 40.800 -0.192 0.000 0.935 874 D HN 0.447 nan 8.370 nan 0.000 0.521 875 Q N -0.296 119.155 119.800 -0.581 0.000 2.084 875 Q HA -0.073 4.261 4.340 -0.009 0.000 0.202 875 Q C 0.469 176.263 176.000 -0.343 0.000 0.978 875 Q CA 0.634 56.129 55.803 -0.512 0.000 0.844 875 Q CB -0.056 28.249 28.738 -0.722 0.000 0.898 875 Q HN 0.302 nan 8.270 nan 0.000 0.426 876 F N 1.780 121.576 119.950 -0.255 0.000 2.595 876 F HA 0.032 4.553 4.527 -0.009 0.000 0.359 876 F C -1.606 174.119 175.800 -0.126 0.000 1.147 876 F CA -2.158 55.726 58.000 -0.193 0.000 1.341 876 F CB -0.214 38.681 39.000 -0.175 0.000 1.104 876 F HN 0.033 nan 8.300 nan 0.000 0.603 877 P HA -0.015 nan 4.420 nan 0.000 0.269 877 P C 0.529 177.861 177.300 0.054 0.000 1.215 877 P CA -0.289 62.837 63.100 0.043 0.000 0.780 877 P CB 0.689 32.397 31.700 0.013 0.000 0.898 878 L N 4.975 126.217 121.223 0.032 0.000 2.013 878 L HA -0.151 4.183 4.340 -0.009 0.000 0.212 878 L C -0.829 176.057 176.870 0.027 0.000 1.073 878 L CA 2.719 57.580 54.840 0.035 0.000 0.753 878 L CB -1.888 40.185 42.059 0.022 0.000 0.890 878 L HN 0.474 nan 8.230 nan 0.000 0.432 879 P HA -0.156 nan 4.420 nan 0.000 0.216 879 P C 1.930 179.217 177.300 -0.022 0.000 1.150 879 P CA 2.335 65.430 63.100 -0.007 0.000 0.837 879 P CB -0.246 31.443 31.700 -0.019 0.000 0.786 880 L N -0.321 120.874 121.223 -0.046 0.000 2.044 880 L HA -0.044 4.291 4.340 -0.009 0.000 0.205 880 L C 2.697 179.469 176.870 -0.164 0.000 1.075 880 L CA 2.972 57.728 54.840 -0.140 0.000 0.747 880 L CB -2.593 39.333 42.059 -0.221 0.000 0.903 880 L HN 0.093 nan 8.230 nan 0.000 0.435 881 K N -0.640 119.740 120.400 -0.033 0.000 2.209 881 K HA -0.157 4.158 4.320 -0.009 0.000 0.204 881 K C 2.040 178.703 176.600 0.106 0.000 1.048 881 K CA 1.524 57.872 56.287 0.102 0.000 0.940 881 K CB -0.565 32.072 32.500 0.229 0.000 0.729 881 K HN 0.762 nan 8.250 nan 0.000 0.451 882 E N -0.114 120.128 120.200 0.069 0.000 2.060 882 E HA -0.043 4.301 4.350 -0.009 0.000 0.189 882 E C 2.170 178.824 176.600 0.090 0.000 0.974 882 E CA 0.909 57.356 56.400 0.078 0.000 0.808 882 E CB -0.169 29.560 29.700 0.048 0.000 0.768 882 E HN 0.619 nan 8.360 nan 0.000 0.453 883 R N 0.705 121.243 120.500 0.065 0.000 2.081 883 R HA -0.034 4.300 4.340 -0.009 0.000 0.235 883 R C 2.507 178.950 176.300 0.238 0.000 1.131 883 R CA 0.878 57.033 56.100 0.090 0.000 0.960 883 R CB -0.259 30.063 30.300 0.037 0.000 0.856 883 R HN 0.106 nan 8.270 nan 0.000 0.436 884 L N 0.196 121.564 121.223 0.242 0.000 2.042 884 L HA -0.174 4.160 4.340 -0.009 0.000 0.210 884 L C 2.700 179.813 176.870 0.404 0.000 1.076 884 L CA 1.416 56.494 54.840 0.397 0.000 0.749 884 L CB -0.669 41.520 42.059 0.218 0.000 0.893 884 L HN 0.368 nan 8.230 nan 0.000 0.432 885 A N 0.051 123.047 122.820 0.294 0.000 1.858 885 A HA -0.161 4.153 4.320 -0.009 0.000 0.216 885 A C 2.538 180.255 177.584 0.220 0.000 1.190 885 A CA 1.830 54.024 52.037 0.262 0.000 0.617 885 A CB -0.806 18.325 19.000 0.218 0.000 0.827 885 A HN 0.395 nan 8.150 nan 0.000 0.443 886 A N -1.483 121.449 122.820 0.186 0.000 1.845 886 A HA -0.037 4.277 4.320 -0.009 0.000 0.215 886 A C 2.073 179.772 177.584 0.191 0.000 1.195 886 A CA 1.805 53.937 52.037 0.158 0.000 0.616 886 A CB -0.754 18.315 19.000 0.115 0.000 0.832 886 A HN 0.552 nan 8.150 nan 0.000 0.443 887 F N -1.493 118.425 119.950 -0.053 0.000 2.293 887 F HA 0.059 4.581 4.527 -0.009 0.000 0.297 887 F C 1.469 177.019 175.800 -0.417 0.000 1.089 887 F CA 0.613 58.439 58.000 -0.289 0.000 1.377 887 F CB -0.099 38.621 39.000 -0.468 0.000 1.051 887 F HN 0.329 nan 8.300 nan 0.000 0.511 888 Y N -1.172 119.236 120.300 0.180 0.000 2.453 888 Y HA 0.378 4.922 4.550 -0.009 0.000 0.247 888 Y C 1.593 177.628 175.900 0.225 0.000 1.124 888 Y CA 0.063 58.243 58.100 0.133 0.000 1.243 888 Y CB 0.046 38.607 38.460 0.168 0.000 1.213 888 Y HN -0.045 nan 8.280 nan 0.000 0.523 889 G N 1.533 110.512 108.800 0.300 0.000 2.298 889 G HA2 -0.198 3.756 3.960 -0.009 0.000 0.287 889 G HA3 -0.198 3.756 3.960 -0.009 0.000 0.287 889 G C -0.461 174.578 174.900 0.232 0.000 1.075 889 G CA 0.478 45.735 45.100 0.263 0.000 0.960 889 G HN 0.271 nan 8.290 nan 0.000 0.502 890 V N 0.000 120.029 119.914 0.192 0.000 2.409 890 V HA 0.000 4.114 4.120 -0.009 0.000 0.244 890 V CA 0.000 62.317 62.300 0.028 0.000 1.235 890 V CB 0.000 31.778 31.823 -0.076 0.000 1.184 890 V HN 0.000 nan 8.190 nan 0.000 0.556