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 4dpv_1_Z DATA FIRST_RESID 22 DATA SEQUENCE GSGNGSGGGG GGGSGGVGIS TGTFNNQTEF KFLENGWVEI TANSSRLVHL DATA SEQUENCE NMPESENYRR VVVNNMDKTA VNGNMALDDI HAQIVTPWSL VDANAWGVWF DATA SEQUENCE NPGDWQLIVN TMSELHLVSF EQEIFNVVLK TVSEXXXXPP TKVYNNDLTA DATA SEQUENCE SLMVALDSNN TMPFTPAAMR SETLGFYPWK PTIPTPWRYY FQWDRTLIPS DATA SEQUENCE HTGTSGTPTN IYHGTDPDDV QFYTIENSVP VHLLRTGDEF ATGTFFFDCK DATA SEQUENCE PCRLTHTWQT NRALGLPPFL NSLPQSEGAT NFGDIGVQQD KRRGVTQMGN DATA SEQUENCE TNYITEATIM RPAEVGYSAP YYSFEASTQG PFKTPIAAGR GGAQTDENQA DATA SEQUENCE ADGNPRYAFG RQHGQKTTTT GETPERFTYI AHQDTGRYPE GDWIQNINFN DATA SEQUENCE LPVTNDNVLL PTDPIGGKTG INYTNIFNTY GPLTALNNVP PVYPNGQIWD DATA SEQUENCE KEFDTDLKPR LHVNAPFVcQ NNcPGQLFVK VAPNLTNEYD PDASANMSRI DATA SEQUENCE VTYSDFWWKG KLVFKAKLRA SHTWNPIQQM SINVDNQFNY VPSNIGGMKI DATA SEQUENCE VYEKSQLAPR KLY 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 22 G HA2 0.000 nan 3.960 nan 0.000 0.244 22 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 22 G C 0.000 174.902 174.900 0.004 0.000 0.946 22 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 23 S N -0.431 115.272 115.700 0.005 0.000 2.617 23 S HA 0.579 5.049 4.470 -0.001 0.000 0.269 23 S C 1.410 176.019 174.600 0.014 0.000 1.292 23 S CA 0.486 58.691 58.200 0.010 0.000 1.010 23 S CB 1.821 65.027 63.200 0.009 0.000 0.944 23 S HN 0.773 nan 8.310 nan 0.000 0.536 24 G N 0.433 109.245 108.800 0.019 0.000 3.042 24 G HA2 0.164 4.123 3.960 -0.001 0.000 0.212 24 G HA3 0.164 4.123 3.960 -0.001 0.000 0.212 24 G C 0.657 175.574 174.900 0.028 0.000 1.166 24 G CA 0.390 45.506 45.100 0.027 0.000 0.767 24 G HN 1.256 nan 8.290 nan 0.000 0.546 25 N N -2.082 116.631 118.700 0.022 0.000 2.996 25 N HA -0.064 4.676 4.740 -0.001 0.000 0.164 25 N C 0.556 176.075 175.510 0.017 0.000 1.350 25 N CA 1.856 54.918 53.050 0.019 0.000 1.333 25 N CB -1.299 37.202 38.487 0.023 0.000 1.033 25 N HN 1.628 nan 8.380 nan 0.000 0.627 26 G N -0.721 108.090 108.800 0.017 0.000 2.719 26 G HA2 0.163 4.123 3.960 -0.001 0.000 0.686 26 G HA3 0.163 4.123 3.960 -0.001 0.000 0.686 26 G C -0.848 174.064 174.900 0.020 0.000 1.201 26 G CA -0.013 45.097 45.100 0.017 0.000 0.768 26 G HN 0.865 nan 8.290 nan 0.000 0.629 27 S N 0.649 116.361 115.700 0.020 0.000 2.442 27 S HA 0.773 5.242 4.470 -0.001 0.000 0.297 27 S C 0.817 175.428 174.600 0.019 0.000 1.131 27 S CA 0.136 58.349 58.200 0.022 0.000 1.092 27 S CB 1.629 64.843 63.200 0.023 0.000 0.998 27 S HN 1.536 nan 8.310 nan 0.000 0.478 28 G N 1.346 110.158 108.800 0.020 0.000 2.434 28 G HA2 0.629 4.588 3.960 -0.001 0.000 0.330 28 G HA3 0.629 4.588 3.960 -0.001 0.000 0.330 28 G C -0.147 174.765 174.900 0.019 0.000 1.155 28 G CA -0.837 44.274 45.100 0.018 0.000 0.917 28 G HN 0.783 nan 8.290 nan 0.000 0.493 29 G N -0.857 107.953 108.800 0.017 0.000 2.356 29 G HA2 0.556 4.515 3.960 -0.001 0.000 0.322 29 G HA3 0.556 4.515 3.960 -0.001 0.000 0.322 29 G C 0.115 175.026 174.900 0.018 0.000 1.125 29 G CA -0.130 44.980 45.100 0.017 0.000 0.885 29 G HN 0.818 nan 8.290 nan 0.000 0.467 30 G N 0.475 109.286 108.800 0.019 0.000 2.320 30 G HA2 0.550 4.509 3.960 -0.001 0.000 0.300 30 G HA3 0.550 4.509 3.960 -0.001 0.000 0.300 30 G C 0.458 175.368 174.900 0.017 0.000 1.126 30 G CA 0.074 45.186 45.100 0.020 0.000 0.896 30 G HN 0.783 nan 8.290 nan 0.000 0.436 31 G N 0.255 109.065 108.800 0.017 0.000 2.476 31 G HA2 0.581 4.540 3.960 -0.001 0.000 0.269 31 G HA3 0.581 4.540 3.960 -0.001 0.000 0.269 31 G C 0.090 175.000 174.900 0.016 0.000 1.195 31 G CA -0.125 44.985 45.100 0.015 0.000 0.843 31 G HN 0.947 nan 8.290 nan 0.000 0.545 32 G N -0.265 108.543 108.800 0.013 0.000 2.737 32 G HA2 0.628 4.587 3.960 -0.001 0.000 0.290 32 G HA3 0.628 4.587 3.960 -0.001 0.000 0.290 32 G C 0.000 174.906 174.900 0.010 0.000 1.482 32 G CA 0.164 45.271 45.100 0.012 0.000 1.017 32 G HN 0.875 nan 8.290 nan 0.000 0.529 33 G N 0.284 109.091 108.800 0.010 0.000 2.531 33 G HA2 0.502 4.462 3.960 -0.001 0.000 0.313 33 G HA3 0.502 4.462 3.960 -0.001 0.000 0.313 33 G C 1.145 176.047 174.900 0.003 0.000 1.238 33 G CA 0.139 45.243 45.100 0.007 0.000 0.994 33 G HN 0.903 nan 8.290 nan 0.000 0.493 34 G N -0.564 108.235 108.800 -0.002 0.000 2.408 34 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.217 34 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.217 34 G C 1.665 176.557 174.900 -0.013 0.000 1.150 34 G CA 1.696 46.791 45.100 -0.008 0.000 0.776 34 G HN 1.082 nan 8.290 nan 0.000 0.542 35 S N -0.883 114.810 115.700 -0.011 0.000 2.572 35 S HA 0.573 5.042 4.470 -0.001 0.000 0.228 35 S C 0.674 175.276 174.600 0.002 0.000 0.963 35 S CA 0.400 58.592 58.200 -0.013 0.000 0.939 35 S CB 0.536 63.722 63.200 -0.023 0.000 0.804 35 S HN 1.017 nan 8.310 nan 0.000 0.480 36 G N -1.294 107.513 108.800 0.010 0.000 2.313 36 G HA2 0.569 4.528 3.960 -0.001 0.000 0.296 36 G HA3 0.569 4.528 3.960 -0.001 0.000 0.296 36 G C -0.586 174.330 174.900 0.026 0.000 1.356 36 G CA -0.077 45.038 45.100 0.024 0.000 0.833 36 G HN 1.108 nan 8.290 nan 0.000 0.552 37 G N -2.291 106.530 108.800 0.034 0.000 2.320 37 G HA2 0.566 4.526 3.960 -0.001 0.000 0.296 37 G HA3 0.566 4.526 3.960 -0.001 0.000 0.296 37 G C 0.515 175.440 174.900 0.040 0.000 1.306 37 G CA 0.654 45.773 45.100 0.033 0.000 0.836 37 G HN 1.401 nan 8.290 nan 0.000 0.517 38 V N 0.467 120.403 119.914 0.036 0.000 2.261 38 V HA 0.110 4.229 4.120 -0.001 0.000 0.246 38 V C 2.390 178.509 176.094 0.043 0.000 1.047 38 V CA 2.653 64.977 62.300 0.038 0.000 1.015 38 V CB -0.422 31.419 31.823 0.031 0.000 0.642 38 V HN 1.187 nan 8.190 nan 0.000 0.446 39 G N -0.003 108.819 108.800 0.037 0.000 3.959 39 G HA2 0.402 4.362 3.960 -0.001 0.000 0.298 39 G HA3 0.402 4.362 3.960 -0.001 0.000 0.298 39 G C 0.022 174.944 174.900 0.035 0.000 1.211 39 G CA -0.119 45.003 45.100 0.037 0.000 1.001 39 G HN 0.278 nan 8.290 nan 0.000 0.561 40 I N 0.841 121.435 120.570 0.040 0.000 2.436 40 I HA 0.308 4.477 4.170 -0.001 0.000 0.289 40 I C 0.027 176.174 176.117 0.050 0.000 1.010 40 I CA -0.632 60.689 61.300 0.035 0.000 1.098 40 I CB 1.586 39.602 38.000 0.027 0.000 1.266 40 I HN -0.140 nan 8.210 nan 0.000 0.434 41 S N 3.313 119.040 115.700 0.044 0.000 2.576 41 S HA 0.241 4.710 4.470 -0.001 0.000 0.276 41 S C 1.069 175.699 174.600 0.049 0.000 1.339 41 S CA -0.207 58.032 58.200 0.064 0.000 1.039 41 S CB 0.782 64.004 63.200 0.036 0.000 0.902 41 S HN 0.782 nan 8.310 nan 0.000 0.516 42 T N -0.975 113.636 114.554 0.095 0.000 3.132 42 T HA 0.521 4.870 4.350 -0.001 0.000 0.274 42 T C 0.423 175.050 174.700 -0.122 0.000 1.011 42 T CA -0.076 62.048 62.100 0.039 0.000 0.899 42 T CB 0.245 69.187 68.868 0.123 0.000 1.089 42 T HN 0.669 nan 8.240 nan 0.000 0.543 43 G N -0.246 108.404 108.800 -0.250 0.000 2.645 43 G HA2 0.592 4.551 3.960 -0.001 0.000 0.292 43 G HA3 0.592 4.551 3.960 -0.001 0.000 0.292 43 G C -1.704 172.807 174.900 -0.649 0.000 1.415 43 G CA -0.648 43.845 45.100 -1.011 0.000 0.785 43 G HN 0.115 nan 8.290 nan 0.000 0.483 44 T N 0.290 114.402 114.554 -0.737 0.000 2.916 44 T HA 0.466 4.815 4.350 -0.001 0.000 0.298 44 T C -1.454 173.223 174.700 -0.039 0.000 1.031 44 T CA -0.262 61.697 62.100 -0.235 0.000 0.993 44 T CB 1.517 70.283 68.868 -0.170 0.000 1.045 44 T HN 0.474 nan 8.240 nan 0.000 0.454 45 F N 4.243 124.178 119.950 -0.024 0.000 2.427 45 F HA 0.652 5.179 4.527 -0.001 0.000 0.352 45 F C 0.167 176.008 175.800 0.070 0.000 1.100 45 F CA -0.311 57.739 58.000 0.083 0.000 1.191 45 F CB 0.527 39.535 39.000 0.013 0.000 1.128 45 F HN 0.485 nan 8.300 nan 0.000 0.533 46 N N 4.492 122.876 118.700 -0.526 0.000 2.537 46 N HA 0.192 4.931 4.740 -0.001 0.000 0.281 46 N C -2.117 173.157 175.510 -0.394 0.000 1.097 46 N CA -0.737 52.152 53.050 -0.268 0.000 0.964 46 N CB 1.276 39.710 38.487 -0.088 0.000 1.588 46 N HN 0.734 nan 8.380 nan 0.000 0.511 47 N N 2.477 121.076 118.700 -0.168 0.000 2.752 47 N HA 0.216 4.955 4.740 -0.001 0.000 0.260 47 N C -1.666 173.915 175.510 0.118 0.000 1.562 47 N CA -0.230 52.790 53.050 -0.050 0.000 0.788 47 N CB 0.512 38.995 38.487 -0.007 0.000 1.192 47 N HN 0.558 nan 8.380 nan 0.000 0.503 48 Q N 0.683 120.541 119.800 0.096 0.000 2.423 48 Q HA 0.490 4.829 4.340 -0.001 0.000 0.278 48 Q C -1.357 174.711 176.000 0.113 0.000 1.097 48 Q CA -0.626 55.258 55.803 0.135 0.000 0.809 48 Q CB 2.004 30.812 28.738 0.118 0.000 1.391 48 Q HN 0.229 nan 8.270 nan 0.000 0.428 49 T N 2.553 117.191 114.554 0.140 0.000 2.807 49 T HA 0.399 4.748 4.350 -0.001 0.000 0.279 49 T C -1.258 173.448 174.700 0.009 0.000 0.993 49 T CA -0.639 61.505 62.100 0.074 0.000 0.970 49 T CB 1.145 70.108 68.868 0.158 0.000 0.950 49 T HN 0.496 nan 8.240 nan 0.000 0.441 50 E N 1.958 122.074 120.200 -0.140 0.000 2.187 50 E HA 0.496 4.846 4.350 -0.001 0.000 0.268 50 E C -1.235 175.134 176.600 -0.385 0.000 0.896 50 E CA -0.662 55.668 56.400 -0.116 0.000 0.766 50 E CB 1.603 31.279 29.700 -0.040 0.000 1.142 50 E HN 0.427 nan 8.360 nan 0.000 0.408 51 F N 2.088 122.031 119.950 -0.013 0.000 2.467 51 F HA 0.361 4.888 4.527 -0.001 0.000 0.336 51 F C 0.231 175.832 175.800 -0.332 0.000 1.123 51 F CA -0.812 57.066 58.000 -0.204 0.000 0.964 51 F CB 1.583 40.419 39.000 -0.273 0.000 1.136 51 F HN 0.167 nan 8.300 nan 0.000 0.447 52 K N 4.710 124.962 120.400 -0.247 0.000 2.535 52 K HA 0.470 4.789 4.320 -0.001 0.000 0.253 52 K C -1.638 174.809 176.600 -0.255 0.000 0.953 52 K CA -0.504 55.682 56.287 -0.168 0.000 0.863 52 K CB 0.776 33.257 32.500 -0.031 0.000 1.111 52 K HN 0.418 nan 8.250 nan 0.000 0.431 53 F N 4.858 124.893 119.950 0.143 0.000 2.427 53 F HA 0.291 4.818 4.527 -0.001 0.000 0.352 53 F C 0.468 176.336 175.800 0.114 0.000 1.100 53 F CA -0.347 57.729 58.000 0.126 0.000 1.191 53 F CB 0.589 39.641 39.000 0.088 0.000 1.128 53 F HN 0.215 nan 8.300 nan 0.000 0.533 54 L N 1.521 122.922 121.223 0.297 0.000 2.341 54 L HA 0.458 4.797 4.340 -0.001 0.000 0.267 54 L C 0.324 177.334 176.870 0.233 0.000 1.022 54 L CA -1.369 53.608 54.840 0.229 0.000 0.844 54 L CB 0.693 42.879 42.059 0.211 0.000 1.436 54 L HN 0.395 nan 8.230 nan 0.000 0.483 55 E N 1.072 121.383 120.200 0.184 0.000 2.398 55 E HA -0.002 4.348 4.350 -0.001 0.000 0.263 55 E C -0.292 176.454 176.600 0.244 0.000 1.046 55 E CA 0.157 56.656 56.400 0.165 0.000 0.908 55 E CB 0.319 30.090 29.700 0.118 0.000 0.963 55 E HN 0.505 nan 8.360 nan 0.000 0.431 56 N N 0.866 119.682 118.700 0.193 0.000 2.782 56 N HA -0.189 4.550 4.740 -0.001 0.000 0.251 56 N C 0.502 176.114 175.510 0.170 0.000 1.101 56 N CA 1.234 54.414 53.050 0.217 0.000 0.764 56 N CB -1.385 37.304 38.487 0.336 0.000 1.122 56 N HN 0.856 nan 8.380 nan 0.000 0.561 57 G N -1.238 107.646 108.800 0.141 0.000 2.256 57 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.272 57 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.272 57 G C -0.230 174.611 174.900 -0.098 0.000 1.076 57 G CA 0.412 45.526 45.100 0.023 0.000 0.882 57 G HN 0.403 nan 8.290 nan 0.000 0.497 58 W N -1.379 119.989 121.300 0.113 0.000 2.627 58 W HA 0.679 5.338 4.660 -0.001 0.000 0.339 58 W C 0.138 176.713 176.519 0.094 0.000 1.058 58 W CA -1.017 56.385 57.345 0.095 0.000 1.223 58 W CB 2.068 31.564 29.460 0.059 0.000 1.389 58 W HN 0.197 nan 8.180 nan 0.000 0.541 59 V N 1.379 121.488 119.914 0.324 0.000 2.823 59 V HA 0.355 4.474 4.120 -0.001 0.000 0.312 59 V C -0.870 175.308 176.094 0.141 0.000 1.072 59 V CA -1.313 61.066 62.300 0.133 0.000 0.937 59 V CB 1.925 33.760 31.823 0.021 0.000 1.013 59 V HN 0.510 nan 8.190 nan 0.000 0.430 60 E N 3.221 123.443 120.200 0.037 0.000 2.114 60 E HA 0.541 4.890 4.350 -0.001 0.000 0.266 60 E C -1.353 175.244 176.600 -0.006 0.000 0.896 60 E CA -0.465 55.966 56.400 0.052 0.000 0.750 60 E CB 1.116 30.835 29.700 0.031 0.000 1.121 60 E HN 0.627 nan 8.360 nan 0.000 0.413 61 I N 4.055 124.656 120.570 0.052 0.000 2.321 61 I HA 0.237 4.406 4.170 -0.001 0.000 0.291 61 I C -0.298 175.842 176.117 0.038 0.000 0.998 61 I CA -0.531 60.743 61.300 -0.043 0.000 1.227 61 I CB 1.817 39.843 38.000 0.044 0.000 1.368 61 I HN 0.417 nan 8.210 nan 0.000 0.466 62 T N 5.707 120.217 114.554 -0.074 0.000 2.770 62 T HA 0.623 4.972 4.350 -0.001 0.000 0.283 62 T C -0.206 174.481 174.700 -0.020 0.000 0.988 62 T CA -0.526 61.561 62.100 -0.022 0.000 0.957 62 T CB 1.444 70.291 68.868 -0.037 0.000 0.930 62 T HN 0.674 nan 8.240 nan 0.000 0.443 63 A N 4.463 127.302 122.820 0.032 0.000 2.319 63 A HA 0.678 4.998 4.320 -0.001 0.000 0.310 63 A C -0.092 177.618 177.584 0.211 0.000 1.152 63 A CA -0.901 51.171 52.037 0.058 0.000 0.783 63 A CB 0.689 19.634 19.000 -0.092 0.000 1.184 63 A HN 0.738 nan 8.150 nan 0.000 0.474 64 N N 0.748 119.545 118.700 0.160 0.000 2.489 64 N HA 0.651 5.391 4.740 -0.001 0.000 0.284 64 N C -0.684 174.894 175.510 0.112 0.000 1.158 64 N CA -0.063 53.074 53.050 0.145 0.000 0.965 64 N CB 1.855 40.360 38.487 0.030 0.000 1.195 64 N HN 0.666 nan 8.380 nan 0.000 0.506 65 S N 0.020 115.714 115.700 -0.009 0.000 2.548 65 S HA 0.515 4.984 4.470 -0.001 0.000 0.278 65 S C -1.688 172.816 174.600 -0.159 0.000 1.150 65 S CA -0.604 57.531 58.200 -0.109 0.000 0.907 65 S CB 0.618 63.651 63.200 -0.279 0.000 1.108 65 S HN 0.419 nan 8.310 nan 0.000 0.459 66 S N 3.554 119.181 115.700 -0.123 0.000 2.595 66 S HA 0.849 5.318 4.470 -0.001 0.000 0.281 66 S C -1.203 173.601 174.600 0.340 0.000 1.117 66 S CA -1.089 57.101 58.200 -0.017 0.000 0.873 66 S CB 1.695 64.534 63.200 -0.602 0.000 1.108 66 S HN 0.761 nan 8.310 nan 0.000 0.477 67 R N 0.538 121.363 120.500 0.542 0.000 2.710 67 R HA 0.434 4.773 4.340 -0.001 0.000 0.270 67 R C -1.878 174.533 176.300 0.186 0.000 1.021 67 R CA -0.902 55.432 56.100 0.390 0.000 0.889 67 R CB 1.520 31.933 30.300 0.187 0.000 1.243 67 R HN 0.519 nan 8.270 nan 0.000 0.464 68 L N 1.975 123.086 121.223 -0.187 0.000 2.265 68 L HA 0.405 4.744 4.340 -0.001 0.000 0.288 68 L C -0.921 175.615 176.870 -0.557 0.000 1.058 68 L CA -0.348 54.007 54.840 -0.808 0.000 0.809 68 L CB 1.334 42.724 42.059 -1.115 0.000 1.179 68 L HN 0.323 nan 8.230 nan 0.000 0.429 69 V N 5.205 124.692 119.914 -0.710 0.000 2.483 69 V HA 0.413 4.532 4.120 -0.001 0.000 0.295 69 V C -0.716 174.925 176.094 -0.756 0.000 1.035 69 V CA -0.687 61.182 62.300 -0.719 0.000 0.896 69 V CB 1.501 32.724 31.823 -0.999 0.000 0.986 69 V HN 0.900 nan 8.190 nan 0.000 0.447 70 H N 4.126 122.895 119.070 -0.502 0.000 2.524 70 H HA 0.824 5.379 4.556 -0.001 0.000 0.353 70 H C -1.241 173.985 175.328 -0.170 0.000 1.136 70 H CA -0.690 55.176 56.048 -0.304 0.000 1.193 70 H CB 1.761 31.410 29.762 -0.188 0.000 1.558 70 H HN 0.597 nan 8.280 nan 0.000 0.515 71 L N 4.330 125.159 121.223 -0.656 0.000 2.526 71 L HA 0.461 4.800 4.340 -0.001 0.000 0.263 71 L C -1.864 174.825 176.870 -0.300 0.000 0.943 71 L CA -0.556 54.084 54.840 -0.332 0.000 0.859 71 L CB 2.049 44.084 42.059 -0.040 0.000 1.313 71 L HN 0.704 nan 8.230 nan 0.000 0.406 72 N N 4.065 122.667 118.700 -0.163 0.000 2.482 72 N HA 0.556 5.295 4.740 -0.001 0.000 0.279 72 N C -0.438 175.057 175.510 -0.025 0.000 1.182 72 N CA -0.518 52.499 53.050 -0.055 0.000 0.969 72 N CB 1.569 40.037 38.487 -0.031 0.000 1.201 72 N HN 0.862 nan 8.380 nan 0.000 0.523 73 M N 0.201 119.798 119.600 -0.005 0.000 2.245 73 M HA 0.371 4.851 4.480 -0.001 0.000 0.330 73 M C -2.160 174.112 176.300 -0.048 0.000 1.098 73 M CA -1.082 54.196 55.300 -0.036 0.000 1.172 73 M CB -0.232 32.350 32.600 -0.029 0.000 1.467 73 M HN 0.180 nan 8.290 nan 0.000 0.454 74 P HA 0.002 nan 4.420 nan 0.000 0.270 74 P C -0.130 177.137 177.300 -0.056 0.000 1.227 74 P CA 0.060 63.117 63.100 -0.072 0.000 0.788 74 P CB 0.255 31.883 31.700 -0.120 0.000 0.926 75 E N 0.286 120.458 120.200 -0.046 0.000 2.153 75 E HA -0.074 4.275 4.350 -0.001 0.000 0.194 75 E C 0.257 176.833 176.600 -0.041 0.000 0.988 75 E CA 0.685 57.062 56.400 -0.038 0.000 0.811 75 E CB -0.095 29.584 29.700 -0.036 0.000 0.746 75 E HN 0.445 nan 8.360 nan 0.000 0.466 76 S N -0.700 114.967 115.700 -0.054 0.000 2.556 76 S HA 0.128 4.597 4.470 -0.001 0.000 0.280 76 S C -0.758 173.797 174.600 -0.074 0.000 1.141 76 S CA -1.017 57.154 58.200 -0.049 0.000 0.883 76 S CB 1.494 64.672 63.200 -0.036 0.000 1.103 76 S HN 0.121 nan 8.310 nan 0.000 0.453 77 E N 2.192 122.354 120.200 -0.062 0.000 2.424 77 E HA 0.237 4.586 4.350 -0.001 0.000 0.237 77 E C -0.534 176.026 176.600 -0.068 0.000 1.381 77 E CA 0.086 56.432 56.400 -0.090 0.000 1.587 77 E CB -0.673 28.993 29.700 -0.057 0.000 1.398 77 E HN 0.534 nan 8.360 nan 0.000 0.439 78 N N -0.413 118.245 118.700 -0.071 0.000 2.312 78 N HA 0.309 5.048 4.740 -0.001 0.000 0.296 78 N C -1.267 174.225 175.510 -0.030 0.000 1.193 78 N CA -0.609 52.438 53.050 -0.005 0.000 0.773 78 N CB 1.219 39.726 38.487 0.034 0.000 1.435 78 N HN -0.029 nan 8.380 nan 0.000 0.484 79 Y N 0.547 120.909 120.300 0.103 0.000 2.323 79 Y HA 0.506 5.056 4.550 -0.001 0.000 0.331 79 Y C 0.199 176.100 175.900 0.002 0.000 1.092 79 Y CA -0.266 57.899 58.100 0.109 0.000 1.150 79 Y CB 1.106 39.723 38.460 0.262 0.000 1.200 79 Y HN 0.187 nan 8.280 nan 0.000 0.472 80 R N 1.607 122.158 120.500 0.086 0.000 2.807 80 R HA 0.581 4.921 4.340 -0.001 0.000 0.276 80 R C -1.052 175.143 176.300 -0.175 0.000 0.979 80 R CA -1.206 54.859 56.100 -0.058 0.000 0.928 80 R CB 2.146 32.401 30.300 -0.076 0.000 1.191 80 R HN 0.554 nan 8.270 nan 0.000 0.471 81 R N 2.086 122.432 120.500 -0.257 0.000 2.320 81 R HA 0.398 4.737 4.340 -0.001 0.000 0.319 81 R C -1.366 174.759 176.300 -0.291 0.000 0.969 81 R CA -0.391 55.479 56.100 -0.384 0.000 0.857 81 R CB 0.994 30.962 30.300 -0.553 0.000 1.160 81 R HN 0.395 nan 8.270 nan 0.000 0.491 82 V N 4.510 124.274 119.914 -0.250 0.000 2.667 82 V HA 0.463 4.582 4.120 -0.001 0.000 0.308 82 V C -0.253 175.707 176.094 -0.223 0.000 1.048 82 V CA -0.844 61.330 62.300 -0.211 0.000 0.928 82 V CB 2.030 33.746 31.823 -0.179 0.000 1.004 82 V HN 0.446 nan 8.190 nan 0.000 0.444 83 V N 3.809 123.567 119.914 -0.260 0.000 2.581 83 V HA 0.510 4.629 4.120 -0.001 0.000 0.303 83 V C -0.282 175.568 176.094 -0.408 0.000 1.041 83 V CA -0.534 61.553 62.300 -0.355 0.000 0.907 83 V CB 2.107 33.663 31.823 -0.445 0.000 0.994 83 V HN 0.600 nan 8.190 nan 0.000 0.442 84 V N 4.091 123.677 119.914 -0.547 0.000 2.513 84 V HA 0.543 4.662 4.120 -0.001 0.000 0.299 84 V C -0.270 175.574 176.094 -0.417 0.000 1.035 84 V CA -0.526 61.475 62.300 -0.499 0.000 0.889 84 V CB 1.943 33.340 31.823 -0.710 0.000 0.988 84 V HN 0.880 nan 8.190 nan 0.000 0.440 85 N N 3.815 122.345 118.700 -0.283 0.000 2.648 85 N HA 0.195 4.935 4.740 -0.001 0.000 0.261 85 N C -0.182 175.248 175.510 -0.132 0.000 1.138 85 N CA -0.436 52.486 53.050 -0.212 0.000 0.804 85 N CB 0.940 39.288 38.487 -0.230 0.000 1.237 85 N HN 0.714 nan 8.380 nan 0.000 0.532 86 N N 3.790 122.433 118.700 -0.095 0.000 2.378 86 N HA 0.008 4.748 4.740 -0.001 0.000 0.243 86 N C 1.311 176.797 175.510 -0.041 0.000 1.137 86 N CA -0.316 52.698 53.050 -0.060 0.000 0.862 86 N CB 0.085 38.548 38.487 -0.039 0.000 1.116 86 N HN 0.445 nan 8.380 nan 0.000 0.499 87 M N 1.747 121.320 119.600 -0.046 0.000 2.147 87 M HA -0.337 4.142 4.480 -0.001 0.000 0.253 87 M C 1.400 177.685 176.300 -0.025 0.000 1.075 87 M CA 2.300 57.583 55.300 -0.028 0.000 1.085 87 M CB -0.359 32.221 32.600 -0.035 0.000 1.305 87 M HN 0.376 nan 8.290 nan 0.000 0.409 88 D N -0.525 119.856 120.400 -0.033 0.000 2.133 88 D HA -0.295 4.345 4.640 -0.001 0.000 0.192 88 D C 1.866 178.151 176.300 -0.024 0.000 1.001 88 D CA 2.261 56.243 54.000 -0.029 0.000 0.844 88 D CB -0.806 39.974 40.800 -0.033 0.000 0.944 88 D HN 0.432 nan 8.370 nan 0.000 0.447 89 K N 0.506 120.892 120.400 -0.024 0.000 2.057 89 K HA -0.107 4.212 4.320 -0.001 0.000 0.207 89 K C 2.279 178.867 176.600 -0.018 0.000 1.049 89 K CA 2.361 58.636 56.287 -0.020 0.000 0.931 89 K CB -0.766 31.724 32.500 -0.018 0.000 0.714 89 K HN 0.390 nan 8.250 nan 0.000 0.440 90 T N -2.294 112.251 114.554 -0.014 0.000 3.023 90 T HA 0.093 4.442 4.350 -0.001 0.000 0.266 90 T C 1.933 176.623 174.700 -0.017 0.000 1.093 90 T CA 0.733 62.825 62.100 -0.013 0.000 1.129 90 T CB -0.399 68.469 68.868 0.000 0.000 0.899 90 T HN 0.171 nan 8.240 nan 0.000 0.491 91 A N 1.380 124.190 122.820 -0.017 0.000 2.084 91 A HA -0.005 4.314 4.320 -0.001 0.000 0.221 91 A C 2.514 180.085 177.584 -0.022 0.000 1.161 91 A CA 1.535 53.560 52.037 -0.019 0.000 0.653 91 A CB -1.252 17.736 19.000 -0.020 0.000 0.802 91 A HN 0.452 nan 8.150 nan 0.000 0.457 92 V N -0.490 119.411 119.914 -0.022 0.000 2.282 92 V HA -0.253 3.866 4.120 -0.001 0.000 0.249 92 V C 0.645 176.724 176.094 -0.024 0.000 1.057 92 V CA 1.802 64.089 62.300 -0.022 0.000 1.032 92 V CB -1.468 30.342 31.823 -0.021 0.000 0.645 92 V HN 0.872 nan 8.190 nan 0.000 0.447 93 N N -1.478 117.204 118.700 -0.030 0.000 2.787 93 N HA 0.109 4.848 4.740 -0.001 0.000 0.265 93 N C 0.261 175.757 175.510 -0.024 0.000 1.341 93 N CA 0.740 53.769 53.050 -0.036 0.000 1.009 93 N CB -1.131 37.330 38.487 -0.042 0.000 0.945 93 N HN 0.720 nan 8.380 nan 0.000 0.500 94 G N 0.953 109.734 108.800 -0.031 0.000 2.184 94 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.206 94 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.206 94 G C 0.045 174.914 174.900 -0.053 0.000 0.995 94 G CA 0.004 45.091 45.100 -0.022 0.000 0.651 94 G HN 0.528 nan 8.290 nan 0.000 0.511 95 N N 0.405 119.074 118.700 -0.053 0.000 2.546 95 N HA 0.425 5.164 4.740 -0.001 0.000 0.286 95 N C 1.737 177.203 175.510 -0.073 0.000 1.259 95 N CA -0.036 52.978 53.050 -0.060 0.000 0.939 95 N CB 0.272 38.736 38.487 -0.040 0.000 1.243 95 N HN 0.372 nan 8.380 nan 0.000 0.511 96 M N 0.162 119.696 119.600 -0.110 0.000 2.067 96 M HA -0.022 4.458 4.480 -0.001 0.000 0.260 96 M C 2.154 178.379 176.300 -0.124 0.000 1.069 96 M CA 1.276 56.506 55.300 -0.116 0.000 1.117 96 M CB -0.636 31.865 32.600 -0.165 0.000 1.334 96 M HN 0.243 nan 8.290 nan 0.000 0.407 97 A N -0.072 122.614 122.820 -0.223 0.000 2.139 97 A HA -0.120 4.199 4.320 -0.001 0.000 0.221 97 A C 2.108 179.679 177.584 -0.021 0.000 1.159 97 A CA 1.289 53.225 52.037 -0.169 0.000 0.662 97 A CB -1.120 17.744 19.000 -0.227 0.000 0.796 97 A HN 0.512 nan 8.150 nan 0.000 0.463 98 L N -0.324 120.881 121.223 -0.029 0.000 2.599 98 L HA 0.005 4.344 4.340 -0.001 0.000 0.230 98 L C 0.404 177.293 176.870 0.033 0.000 1.141 98 L CA -0.134 54.709 54.840 0.004 0.000 0.877 98 L CB -0.614 41.438 42.059 -0.012 0.000 1.009 98 L HN 0.301 nan 8.230 nan 0.000 0.447 99 D N 0.893 121.321 120.400 0.047 0.000 2.531 99 D HA -0.104 4.535 4.640 -0.001 0.000 0.239 99 D C 0.247 176.610 176.300 0.106 0.000 1.144 99 D CA 0.692 54.738 54.000 0.076 0.000 0.869 99 D CB 0.703 41.567 40.800 0.106 0.000 1.160 99 D HN -0.027 nan 8.370 nan 0.000 0.484 100 D N 3.204 123.656 120.400 0.086 0.000 2.501 100 D HA 0.183 4.822 4.640 -0.001 0.000 0.224 100 D C 0.324 176.696 176.300 0.119 0.000 1.202 100 D CA -0.352 53.720 54.000 0.121 0.000 0.829 100 D CB 0.039 40.889 40.800 0.083 0.000 1.023 100 D HN 0.448 nan 8.370 nan 0.000 0.499 101 I N 2.102 122.716 120.570 0.073 0.000 2.754 101 I HA 0.079 4.248 4.170 -0.001 0.000 0.285 101 I C 0.503 176.512 176.117 -0.181 0.000 1.166 101 I CA 0.560 61.819 61.300 -0.069 0.000 1.417 101 I CB 0.415 38.425 38.000 0.016 0.000 1.382 101 I HN 0.181 nan 8.210 nan 0.000 0.588 102 H N 3.405 122.101 119.070 -0.624 0.000 2.901 102 H HA 0.541 5.096 4.556 -0.001 0.000 0.267 102 H C -1.977 172.804 175.328 -0.912 0.000 1.434 102 H CA -1.155 54.041 56.048 -1.420 0.000 1.215 102 H CB 0.696 30.024 29.762 -0.723 0.000 1.825 102 H HN 0.588 nan 8.280 nan 0.000 0.470 103 A N 1.053 123.511 122.820 -0.602 0.000 2.322 103 A HA 0.679 4.999 4.320 -0.001 0.000 0.327 103 A C -0.519 177.279 177.584 0.357 0.000 1.134 103 A CA -0.191 51.880 52.037 0.057 0.000 0.831 103 A CB 1.739 20.988 19.000 0.415 0.000 1.288 103 A HN 0.883 nan 8.150 nan 0.000 0.472 104 Q N 0.572 120.467 119.800 0.158 0.000 2.479 104 Q HA 0.511 4.850 4.340 -0.001 0.000 0.276 104 Q C -1.843 174.035 176.000 -0.205 0.000 0.989 104 Q CA -0.839 54.998 55.803 0.056 0.000 0.864 104 Q CB 0.910 29.653 28.738 0.009 0.000 1.444 104 Q HN 0.458 nan 8.270 nan 0.000 0.388 105 I N 2.198 122.504 120.570 -0.441 0.000 2.472 105 I HA 0.389 4.559 4.170 -0.001 0.000 0.290 105 I C -0.282 175.568 176.117 -0.445 0.000 1.016 105 I CA -0.803 60.155 61.300 -0.570 0.000 1.348 105 I CB 1.594 38.955 38.000 -1.066 0.000 1.417 105 I HN 0.557 nan 8.210 nan 0.000 0.521 106 V N 5.351 125.139 119.914 -0.209 0.000 2.409 106 V HA 0.388 4.508 4.120 -0.001 0.000 0.291 106 V C 0.442 176.550 176.094 0.023 0.000 1.020 106 V CA -0.577 61.652 62.300 -0.118 0.000 0.848 106 V CB 1.817 33.582 31.823 -0.096 0.000 0.990 106 V HN 0.941 nan 8.190 nan 0.000 0.430 107 T N 2.756 117.349 114.554 0.065 0.000 2.923 107 T HA 0.556 4.905 4.350 -0.001 0.000 0.281 107 T C -2.140 172.555 174.700 -0.008 0.000 0.995 107 T CA -2.066 60.073 62.100 0.065 0.000 0.985 107 T CB 2.146 71.247 68.868 0.388 0.000 1.114 107 T HN 0.430 nan 8.240 nan 0.000 0.548 108 P HA 0.260 nan 4.420 nan 0.000 0.261 108 P C -0.627 176.616 177.300 -0.096 0.000 1.268 108 P CA -0.158 62.841 63.100 -0.169 0.000 0.833 108 P CB -0.003 31.488 31.700 -0.350 0.000 1.231 109 W N 0.574 121.878 121.300 0.007 0.000 2.332 109 W HA 0.425 5.085 4.660 -0.001 0.000 0.351 109 W C 0.470 177.106 176.519 0.195 0.000 1.195 109 W CA 0.064 57.461 57.345 0.086 0.000 1.334 109 W CB 0.713 30.201 29.460 0.047 0.000 1.206 109 W HN -0.319 nan 8.180 nan 0.000 0.637 110 S N 1.485 117.481 115.700 0.493 0.000 2.566 110 S HA 0.652 5.121 4.470 -0.001 0.000 0.298 110 S C -1.446 173.431 174.600 0.461 0.000 1.083 110 S CA -0.782 57.659 58.200 0.401 0.000 0.978 110 S CB 1.613 64.957 63.200 0.240 0.000 1.073 110 S HN 0.345 nan 8.310 nan 0.000 0.491 111 L N 2.299 123.746 121.223 0.374 0.000 2.329 111 L HA 0.699 5.039 4.340 -0.001 0.000 0.279 111 L C -1.199 175.715 176.870 0.073 0.000 1.014 111 L CA -0.472 54.507 54.840 0.231 0.000 0.814 111 L CB 1.417 43.636 42.059 0.267 0.000 1.257 111 L HN 0.454 nan 8.230 nan 0.000 0.424 112 V N 5.053 124.941 119.914 -0.044 0.000 2.304 112 V HA 0.385 4.504 4.120 -0.001 0.000 0.269 112 V C -0.402 175.635 176.094 -0.095 0.000 1.036 112 V CA -0.518 61.740 62.300 -0.069 0.000 0.840 112 V CB 0.670 32.459 31.823 -0.056 0.000 1.036 112 V HN 0.797 nan 8.190 nan 0.000 0.466 113 D N 4.122 124.465 120.400 -0.095 0.000 2.248 113 D HA 0.658 5.297 4.640 -0.001 0.000 0.246 113 D C 0.185 176.422 176.300 -0.104 0.000 1.027 113 D CA -0.366 53.589 54.000 -0.075 0.000 0.853 113 D CB 2.635 43.387 40.800 -0.081 0.000 1.243 113 D HN 0.479 nan 8.370 nan 0.000 0.462 114 A N 3.493 126.297 122.820 -0.026 0.000 2.628 114 A HA 0.067 4.387 4.320 -0.001 0.000 0.267 114 A C 0.588 178.210 177.584 0.063 0.000 1.159 114 A CA -0.415 51.616 52.037 -0.010 0.000 0.972 114 A CB -0.084 18.995 19.000 0.132 0.000 1.211 114 A HN 0.474 nan 8.150 nan 0.000 0.576 115 N N 2.446 121.036 118.700 -0.183 0.000 2.605 115 N HA 0.413 5.152 4.740 -0.001 0.000 0.282 115 N C -0.539 174.770 175.510 -0.335 0.000 1.206 115 N CA 1.043 53.758 53.050 -0.559 0.000 1.074 115 N CB -0.242 37.649 38.487 -0.994 0.000 1.434 115 N HN 0.559 nan 8.380 nan 0.000 0.506 116 A N 2.622 125.356 122.820 -0.144 0.000 2.560 116 A HA 0.184 4.503 4.320 -0.001 0.000 0.300 116 A C 0.293 177.844 177.584 -0.054 0.000 1.062 116 A CA -0.874 51.078 52.037 -0.143 0.000 0.767 116 A CB -0.320 18.687 19.000 0.012 0.000 1.288 116 A HN 0.491 nan 8.150 nan 0.000 0.396 117 W N 2.021 123.353 121.300 0.054 0.000 2.275 117 W HA -0.239 4.421 4.660 -0.001 0.000 0.321 117 W C 2.215 178.702 176.519 -0.053 0.000 1.269 117 W CA 2.452 59.870 57.345 0.122 0.000 1.274 117 W CB -0.178 29.271 29.460 -0.019 0.000 1.141 117 W HN 0.946 nan 8.180 nan 0.000 0.493 118 G N -0.188 108.297 108.800 -0.524 0.000 2.479 118 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.220 118 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.220 118 G C 1.317 175.695 174.900 -0.871 0.000 1.115 118 G CA 1.321 45.632 45.100 -1.315 0.000 0.757 118 G HN 0.224 nan 8.290 nan 0.000 0.560 119 V N -1.021 118.609 119.914 -0.473 0.000 2.626 119 V HA -0.091 4.029 4.120 -0.001 0.000 0.252 119 V C 2.142 177.938 176.094 -0.496 0.000 1.067 119 V CA 1.398 63.458 62.300 -0.401 0.000 1.081 119 V CB -0.488 30.967 31.823 -0.613 0.000 0.686 119 V HN 0.629 nan 8.190 nan 0.000 0.468 120 W N -2.059 119.198 121.300 -0.071 0.000 2.735 120 W HA 0.393 5.052 4.660 -0.001 0.000 0.264 120 W C 0.614 176.946 176.519 -0.311 0.000 1.233 120 W CA -0.407 56.802 57.345 -0.228 0.000 1.408 120 W CB 0.133 29.346 29.460 -0.412 0.000 1.038 120 W HN 0.031 nan 8.180 nan 0.000 0.603 121 F N 1.473 121.682 119.950 0.431 0.000 2.561 121 F HA 0.301 4.828 4.527 -0.001 0.000 0.321 121 F C 0.498 176.497 175.800 0.332 0.000 1.065 121 F CA -1.455 56.777 58.000 0.387 0.000 0.934 121 F CB 0.775 40.041 39.000 0.443 0.000 1.215 121 F HN -0.291 nan 8.300 nan 0.000 0.471 122 N N 1.054 120.074 118.700 0.533 0.000 2.538 122 N HA 0.498 5.238 4.740 -0.001 0.000 0.292 122 N C -2.543 173.196 175.510 0.382 0.000 1.262 122 N CA -2.003 51.303 53.050 0.427 0.000 0.976 122 N CB -0.080 38.622 38.487 0.359 0.000 1.161 122 N HN 0.085 nan 8.380 nan 0.000 0.598 123 P HA 0.015 nan 4.420 nan 0.000 0.214 123 P C 1.451 178.833 177.300 0.137 0.000 1.162 123 P CA 2.120 65.357 63.100 0.229 0.000 0.879 123 P CB -0.451 31.456 31.700 0.345 0.000 0.786 124 G N 0.349 109.237 108.800 0.147 0.000 2.547 124 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.221 124 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.221 124 G C 1.175 176.132 174.900 0.095 0.000 1.140 124 G CA 1.498 46.649 45.100 0.085 0.000 0.760 124 G HN 0.199 nan 8.290 nan 0.000 0.583 125 D N -0.621 119.904 120.400 0.208 0.000 2.084 125 D HA -0.109 4.530 4.640 -0.001 0.000 0.196 125 D C 1.947 178.262 176.300 0.026 0.000 0.985 125 D CA 0.546 54.697 54.000 0.253 0.000 0.826 125 D CB -0.652 40.455 40.800 0.511 0.000 0.978 125 D HN 0.515 nan 8.370 nan 0.000 0.456 126 W N 1.936 123.058 121.300 -0.297 0.000 2.305 126 W HA -0.302 4.358 4.660 -0.001 0.000 0.308 126 W C 2.265 178.568 176.519 -0.360 0.000 1.226 126 W CA 1.761 58.792 57.345 -0.524 0.000 1.253 126 W CB -0.167 28.774 29.460 -0.865 0.000 1.146 126 W HN 0.129 nan 8.180 nan 0.000 0.507 127 Q N 0.139 119.860 119.800 -0.131 0.000 2.045 127 Q HA -0.301 4.038 4.340 -0.001 0.000 0.206 127 Q C 2.392 178.230 176.000 -0.270 0.000 0.991 127 Q CA 2.409 58.100 55.803 -0.187 0.000 0.851 127 Q CB -0.685 27.975 28.738 -0.129 0.000 0.911 127 Q HN 0.239 nan 8.270 nan 0.000 0.418 128 L N 0.824 121.903 121.223 -0.239 0.000 1.971 128 L HA -0.227 4.113 4.340 -0.001 0.000 0.215 128 L C 2.171 178.855 176.870 -0.311 0.000 1.072 128 L CA 1.825 56.503 54.840 -0.270 0.000 0.758 128 L CB -0.862 40.994 42.059 -0.339 0.000 0.889 128 L HN 0.423 nan 8.230 nan 0.000 0.433 129 I N -1.260 119.091 120.570 -0.365 0.000 2.113 129 I HA -0.385 3.785 4.170 -0.001 0.000 0.242 129 I C 2.323 178.157 176.117 -0.472 0.000 1.064 129 I CA 1.892 62.938 61.300 -0.424 0.000 1.320 129 I CB -0.510 37.062 38.000 -0.714 0.000 1.028 129 I HN 0.151 nan 8.210 nan 0.000 0.406 130 V N 0.853 120.386 119.914 -0.636 0.000 2.626 130 V HA -0.202 3.917 4.120 -0.001 0.000 0.252 130 V C 1.820 177.717 176.094 -0.329 0.000 1.067 130 V CA 1.705 63.673 62.300 -0.553 0.000 1.081 130 V CB -0.776 30.639 31.823 -0.679 0.000 0.686 130 V HN 0.440 nan 8.190 nan 0.000 0.468 131 N N 0.106 118.638 118.700 -0.280 0.000 2.395 131 N HA -0.056 4.684 4.740 -0.001 0.000 0.175 131 N C 1.821 177.226 175.510 -0.176 0.000 1.029 131 N CA 1.468 54.398 53.050 -0.200 0.000 0.897 131 N CB -0.013 38.370 38.487 -0.174 0.000 0.991 131 N HN 0.673 nan 8.380 nan 0.000 0.441 132 T N -3.356 111.087 114.554 -0.185 0.000 3.023 132 T HA 0.391 4.740 4.350 -0.001 0.000 0.253 132 T C 0.697 175.319 174.700 -0.131 0.000 1.038 132 T CA -0.048 61.966 62.100 -0.143 0.000 0.962 132 T CB 0.467 69.260 68.868 -0.125 0.000 1.018 132 T HN -0.143 nan 8.240 nan 0.000 0.521 133 M N 1.275 120.779 119.600 -0.160 0.000 2.811 133 M HA 0.538 5.018 4.480 -0.001 0.000 0.303 133 M C 1.070 177.285 176.300 -0.141 0.000 1.227 133 M CA -0.649 54.566 55.300 -0.141 0.000 0.874 133 M CB 2.273 34.795 32.600 -0.130 0.000 1.681 133 M HN 0.105 nan 8.290 nan 0.000 0.500 134 S N -1.750 113.875 115.700 -0.125 0.000 2.589 134 S HA 0.267 4.737 4.470 -0.001 0.000 0.235 134 S C -0.207 174.338 174.600 -0.090 0.000 1.051 134 S CA -0.322 57.815 58.200 -0.106 0.000 0.978 134 S CB 0.191 63.333 63.200 -0.095 0.000 0.929 134 S HN 0.787 nan 8.310 nan 0.000 0.523 135 E N -0.091 120.060 120.200 -0.083 0.000 2.388 135 E HA 0.632 4.981 4.350 -0.001 0.000 0.280 135 E C -2.052 174.549 176.600 0.001 0.000 1.019 135 E CA -1.122 55.246 56.400 -0.054 0.000 0.806 135 E CB 0.997 30.669 29.700 -0.048 0.000 1.246 135 E HN 0.150 nan 8.360 nan 0.000 0.443 136 L N 1.661 122.898 121.223 0.022 0.000 2.431 136 L HA 0.531 4.870 4.340 -0.001 0.000 0.266 136 L C -1.629 175.387 176.870 0.243 0.000 0.978 136 L CA -0.275 54.676 54.840 0.185 0.000 0.822 136 L CB 2.022 44.200 42.059 0.197 0.000 1.310 136 L HN 0.701 nan 8.230 nan 0.000 0.409 137 H N 4.200 123.508 119.070 0.397 0.000 2.572 137 H HA 0.455 5.010 4.556 -0.001 0.000 0.359 137 H C -1.243 174.143 175.328 0.097 0.000 1.134 137 H CA -0.904 55.310 56.048 0.278 0.000 1.187 137 H CB 2.609 32.501 29.762 0.217 0.000 1.597 137 H HN 0.471 nan 8.280 nan 0.000 0.524 138 L N 2.961 124.037 121.223 -0.245 0.000 2.292 138 L HA 0.148 4.487 4.340 -0.001 0.000 0.284 138 L C -0.038 176.593 176.870 -0.399 0.000 1.065 138 L CA 0.128 54.515 54.840 -0.756 0.000 0.806 138 L CB 0.952 42.117 42.059 -1.490 0.000 1.175 138 L HN 0.496 nan 8.230 nan 0.000 0.431 139 V N 2.438 122.140 119.914 -0.353 0.000 2.870 139 V HA 0.409 4.529 4.120 -0.001 0.000 0.232 139 V C 0.544 176.731 176.094 0.155 0.000 1.161 139 V CA 0.949 63.238 62.300 -0.019 0.000 1.204 139 V CB 0.575 32.384 31.823 -0.024 0.000 1.003 139 V HN 0.900 nan 8.190 nan 0.000 0.499 140 S N -0.718 114.978 115.700 -0.007 0.000 2.688 140 S HA 0.791 5.260 4.470 -0.001 0.000 0.275 140 S C -1.480 173.117 174.600 -0.005 0.000 1.175 140 S CA -0.555 57.561 58.200 -0.140 0.000 0.818 140 S CB 2.803 65.672 63.200 -0.552 0.000 1.157 140 S HN 0.516 nan 8.310 nan 0.000 0.482 141 F N 0.562 120.308 119.950 -0.340 0.000 2.672 141 F HA 0.678 5.204 4.527 -0.001 0.000 0.311 141 F C -1.891 173.770 175.800 -0.230 0.000 1.113 141 F CA -0.393 57.454 58.000 -0.255 0.000 0.996 141 F CB 1.278 40.156 39.000 -0.203 0.000 1.286 141 F HN 1.081 nan 8.300 nan 0.000 0.441 142 E N 4.289 124.094 120.200 -0.658 0.000 2.407 142 E HA 0.621 4.971 4.350 -0.001 0.000 0.279 142 E C -2.203 174.038 176.600 -0.599 0.000 1.012 142 E CA -1.093 54.841 56.400 -0.777 0.000 0.800 142 E CB 2.939 32.387 29.700 -0.420 0.000 1.276 142 E HN 0.733 nan 8.360 nan 0.000 0.452 143 Q N 0.527 120.049 119.800 -0.462 0.000 2.565 143 Q HA 0.637 4.977 4.340 -0.001 0.000 0.294 143 Q C -1.271 174.633 176.000 -0.160 0.000 1.005 143 Q CA -1.132 54.514 55.803 -0.261 0.000 0.771 143 Q CB 2.676 31.409 28.738 -0.009 0.000 1.486 143 Q HN 0.729 nan 8.270 nan 0.000 0.422 144 E N 0.122 120.236 120.200 -0.144 0.000 2.407 144 E HA 0.669 5.019 4.350 -0.001 0.000 0.279 144 E C -1.484 175.261 176.600 0.242 0.000 1.012 144 E CA -0.894 55.540 56.400 0.058 0.000 0.800 144 E CB 1.694 31.377 29.700 -0.028 0.000 1.276 144 E HN 0.542 nan 8.360 nan 0.000 0.452 145 I N 1.836 122.643 120.570 0.395 0.000 2.569 145 I HA 0.652 4.821 4.170 -0.001 0.000 0.296 145 I C -0.942 175.503 176.117 0.548 0.000 1.028 145 I CA -0.851 60.712 61.300 0.438 0.000 1.082 145 I CB 1.142 39.274 38.000 0.219 0.000 1.264 145 I HN 0.662 nan 8.210 nan 0.000 0.429 146 F N 2.403 122.531 119.950 0.296 0.000 3.169 146 F HA 0.493 5.019 4.527 -0.001 0.000 0.325 146 F C -0.267 175.755 175.800 0.370 0.000 1.175 146 F CA -1.414 56.734 58.000 0.248 0.000 0.887 146 F CB 0.209 39.301 39.000 0.154 0.000 1.457 146 F HN 0.335 nan 8.300 nan 0.000 0.496 147 N N 0.228 119.239 118.700 0.518 0.000 2.699 147 N HA -0.131 4.608 4.740 -0.001 0.000 0.256 147 N C -0.813 174.899 175.510 0.336 0.000 0.993 147 N CA 0.573 53.854 53.050 0.384 0.000 0.759 147 N CB -1.132 37.565 38.487 0.350 0.000 0.906 147 N HN 0.602 nan 8.380 nan 0.000 0.541 148 V N 0.120 120.192 119.914 0.262 0.000 2.715 148 V HA 0.302 4.422 4.120 -0.001 0.000 0.299 148 V C 0.938 177.127 176.094 0.157 0.000 1.054 148 V CA -0.119 62.311 62.300 0.217 0.000 1.077 148 V CB 1.591 33.496 31.823 0.138 0.000 0.972 148 V HN 0.085 nan 8.190 nan 0.000 0.484 149 V N 5.459 125.448 119.914 0.125 0.000 2.808 149 V HA 0.562 4.682 4.120 -0.001 0.000 0.308 149 V C -0.903 175.167 176.094 -0.040 0.000 1.099 149 V CA -0.644 61.682 62.300 0.043 0.000 0.920 149 V CB 1.901 33.741 31.823 0.028 0.000 1.014 149 V HN 0.603 nan 8.190 nan 0.000 0.425 150 L N 4.146 125.323 121.223 -0.076 0.000 2.408 150 L HA 0.700 5.039 4.340 -0.001 0.000 0.268 150 L C -0.300 176.460 176.870 -0.184 0.000 0.986 150 L CA -0.237 54.510 54.840 -0.155 0.000 0.820 150 L CB 2.099 44.108 42.059 -0.084 0.000 1.303 150 L HN 0.566 nan 8.230 nan 0.000 0.411 151 K N 0.294 120.486 120.400 -0.347 0.000 2.443 151 K HA 0.877 5.196 4.320 -0.001 0.000 0.251 151 K C -0.963 175.610 176.600 -0.046 0.000 0.972 151 K CA -0.917 55.242 56.287 -0.214 0.000 0.833 151 K CB 2.616 34.967 32.500 -0.249 0.000 1.317 151 K HN 0.671 nan 8.250 nan 0.000 0.441 152 T N -2.116 112.503 114.554 0.109 0.000 2.876 152 T HA 0.487 4.837 4.350 -0.001 0.000 0.289 152 T C -0.480 174.352 174.700 0.220 0.000 1.014 152 T CA -0.799 61.405 62.100 0.174 0.000 0.986 152 T CB 1.307 70.228 68.868 0.089 0.000 1.021 152 T HN 0.142 nan 8.240 nan 0.000 0.458 153 V N 3.376 123.420 119.914 0.216 0.000 2.439 153 V HA 0.699 4.818 4.120 -0.001 0.000 0.282 153 V C 0.166 176.258 176.094 -0.003 0.000 1.039 153 V CA -0.438 61.918 62.300 0.093 0.000 0.913 153 V CB 1.349 33.220 31.823 0.079 0.000 0.983 153 V HN 1.221 nan 8.190 nan 0.000 0.460 154 S N 3.672 119.322 115.700 -0.082 0.000 2.548 154 S HA 0.762 5.232 4.470 -0.001 0.000 0.276 154 S C -0.864 173.669 174.600 -0.112 0.000 1.129 154 S CA -0.984 57.175 58.200 -0.068 0.000 0.931 154 S CB 2.116 65.294 63.200 -0.036 0.000 1.068 154 S HN 0.846 nan 8.310 nan 0.000 0.480 161 P HA 0.177 nan 4.420 nan 0.000 0.244 161 P C -0.240 177.039 177.300 -0.036 0.000 1.723 161 P CA 0.201 63.283 63.100 -0.031 0.000 1.110 161 P CB -0.457 31.227 31.700 -0.027 0.000 1.972 162 T N -0.603 113.924 114.554 -0.046 0.000 2.753 162 T HA 0.372 4.721 4.350 -0.001 0.000 0.297 162 T C 0.008 174.644 174.700 -0.107 0.000 0.981 162 T CA -0.932 61.134 62.100 -0.056 0.000 0.956 162 T CB 1.225 70.069 68.868 -0.040 0.000 0.936 162 T HN 0.026 nan 8.240 nan 0.000 0.463 163 K N 2.401 122.709 120.400 -0.154 0.000 2.172 163 K HA 0.570 4.890 4.320 -0.001 0.000 0.276 163 K C 0.006 176.313 176.600 -0.488 0.000 1.013 163 K CA -0.866 55.227 56.287 -0.324 0.000 0.913 163 K CB 1.622 33.901 32.500 -0.368 0.000 1.055 163 K HN 0.686 nan 8.250 nan 0.000 0.461 164 V N 0.563 120.171 119.914 -0.510 0.000 2.769 164 V HA 0.574 4.693 4.120 -0.001 0.000 0.312 164 V C -1.505 174.323 176.094 -0.442 0.000 1.061 164 V CA -0.870 61.186 62.300 -0.406 0.000 0.931 164 V CB 1.039 32.785 31.823 -0.129 0.000 1.010 164 V HN 0.611 nan 8.190 nan 0.000 0.433 165 Y N 2.383 122.723 120.300 0.066 0.000 2.350 165 Y HA 0.701 5.250 4.550 -0.001 0.000 0.338 165 Y C -0.001 175.938 175.900 0.064 0.000 0.961 165 Y CA -0.603 57.554 58.100 0.094 0.000 1.100 165 Y CB 1.904 40.444 38.460 0.134 0.000 1.179 165 Y HN 0.818 nan 8.280 nan 0.000 0.454 166 N N 1.673 120.486 118.700 0.189 0.000 2.229 166 N HA 0.345 5.085 4.740 -0.001 0.000 0.298 166 N C -1.463 174.090 175.510 0.071 0.000 1.114 166 N CA -1.163 51.953 53.050 0.109 0.000 0.776 166 N CB 1.112 39.640 38.487 0.068 0.000 1.501 166 N HN 0.495 nan 8.380 nan 0.000 0.474 167 N N 0.656 119.383 118.700 0.046 0.000 2.508 167 N HA 0.021 4.761 4.740 -0.001 0.000 0.264 167 N C -1.044 174.475 175.510 0.014 0.000 1.216 167 N CA 0.234 53.293 53.050 0.014 0.000 0.943 167 N CB 0.729 39.226 38.487 0.015 0.000 1.113 167 N HN 0.590 nan 8.380 nan 0.000 0.447 168 D N 2.743 123.142 120.400 -0.002 0.000 2.473 168 D HA 0.160 4.800 4.640 -0.001 0.000 0.226 168 D C 1.236 177.537 176.300 0.002 0.000 1.089 168 D CA -0.436 53.566 54.000 0.003 0.000 0.883 168 D CB 0.317 41.117 40.800 -0.001 0.000 1.029 168 D HN 0.390 nan 8.370 nan 0.000 0.517 169 L N 2.186 123.415 121.223 0.010 0.000 2.079 169 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 169 L C 2.118 178.995 176.870 0.012 0.000 1.081 169 L CA 1.681 56.529 54.840 0.013 0.000 0.752 169 L CB -0.620 41.450 42.059 0.018 0.000 0.896 169 L HN 0.471 nan 8.230 nan 0.000 0.433 170 T N -3.177 111.383 114.554 0.009 0.000 3.122 170 T HA 0.449 4.798 4.350 -0.001 0.000 0.250 170 T C 0.640 175.342 174.700 0.003 0.000 1.067 170 T CA 0.079 62.185 62.100 0.009 0.000 0.966 170 T CB -0.008 68.864 68.868 0.007 0.000 1.002 170 T HN 0.210 nan 8.240 nan 0.000 0.542 171 A N 1.261 124.080 122.820 -0.002 0.000 2.259 171 A HA 0.743 5.062 4.320 -0.001 0.000 0.278 171 A C 0.282 177.862 177.584 -0.007 0.000 1.107 171 A CA -0.647 51.385 52.037 -0.009 0.000 0.828 171 A CB 0.565 19.555 19.000 -0.016 0.000 1.111 171 A HN 0.464 nan 8.150 nan 0.000 0.498 172 S N -1.176 114.515 115.700 -0.014 0.000 2.632 172 S HA 0.619 5.088 4.470 -0.001 0.000 0.289 172 S C -1.112 173.473 174.600 -0.024 0.000 1.115 172 S CA -0.536 57.658 58.200 -0.009 0.000 0.889 172 S CB 1.495 64.694 63.200 -0.001 0.000 1.116 172 S HN 0.883 nan 8.310 nan 0.000 0.486 173 L N 1.946 123.155 121.223 -0.024 0.000 2.317 173 L HA 0.681 5.021 4.340 -0.001 0.000 0.281 173 L C -0.983 175.862 176.870 -0.041 0.000 1.024 173 L CA -0.459 54.351 54.840 -0.049 0.000 0.810 173 L CB 0.856 42.870 42.059 -0.075 0.000 1.240 173 L HN 0.739 nan 8.230 nan 0.000 0.427 174 M N 4.642 124.215 119.600 -0.045 0.000 2.423 174 M HA 0.712 5.191 4.480 -0.001 0.000 0.335 174 M C -1.027 175.346 176.300 0.121 0.000 1.177 174 M CA -0.857 54.471 55.300 0.048 0.000 1.038 174 M CB 2.020 34.659 32.600 0.065 0.000 1.641 174 M HN 0.346 nan 8.290 nan 0.000 0.455 175 V N 1.154 121.152 119.914 0.142 0.000 2.808 175 V HA 0.890 5.009 4.120 -0.001 0.000 0.308 175 V C -1.082 175.037 176.094 0.041 0.000 1.099 175 V CA -0.790 61.520 62.300 0.017 0.000 0.920 175 V CB 1.964 33.569 31.823 -0.364 0.000 1.014 175 V HN 0.978 nan 8.190 nan 0.000 0.425 176 A N 3.863 126.678 122.820 -0.009 0.000 2.455 176 A HA 0.916 5.235 4.320 -0.001 0.000 0.300 176 A C -1.781 175.779 177.584 -0.040 0.000 1.040 176 A CA -0.523 51.493 52.037 -0.035 0.000 0.697 176 A CB 1.780 20.668 19.000 -0.187 0.000 1.265 176 A HN 1.032 nan 8.150 nan 0.000 0.407 177 L N 1.686 122.919 121.223 0.017 0.000 2.343 177 L HA 0.598 4.937 4.340 -0.001 0.000 0.278 177 L C -0.621 176.258 176.870 0.015 0.000 0.996 177 L CA -0.183 54.659 54.840 0.003 0.000 0.831 177 L CB 1.575 43.721 42.059 0.145 0.000 1.232 177 L HN 0.665 nan 8.230 nan 0.000 0.413 178 D N 1.861 122.249 120.400 -0.021 0.000 2.608 178 D HA 0.091 4.730 4.640 -0.001 0.000 0.224 178 D C 1.150 177.447 176.300 -0.006 0.000 1.123 178 D CA 0.636 54.639 54.000 0.005 0.000 1.030 178 D CB 0.476 41.304 40.800 0.046 0.000 1.093 178 D HN 0.642 nan 8.370 nan 0.000 0.497 179 S N 1.715 117.421 115.700 0.010 0.000 2.423 179 S HA -0.146 4.323 4.470 -0.001 0.000 0.231 179 S C 1.546 176.155 174.600 0.016 0.000 1.014 179 S CA 0.374 58.583 58.200 0.016 0.000 0.965 179 S CB -0.111 63.111 63.200 0.037 0.000 0.785 179 S HN 0.411 nan 8.310 nan 0.000 0.495 180 N N 1.930 120.633 118.700 0.005 0.000 2.494 180 N HA 0.015 4.754 4.740 -0.001 0.000 0.182 180 N C -0.321 175.185 175.510 -0.007 0.000 1.076 180 N CA 0.406 53.457 53.050 0.001 0.000 0.908 180 N CB -0.402 38.082 38.487 -0.005 0.000 0.967 180 N HN 0.325 nan 8.380 nan 0.000 0.449 181 N N -0.060 118.632 118.700 -0.014 0.000 2.771 181 N HA -0.121 4.618 4.740 -0.001 0.000 0.249 181 N C 0.285 175.765 175.510 -0.049 0.000 1.069 181 N CA 0.524 53.564 53.050 -0.018 0.000 0.688 181 N CB -1.326 37.151 38.487 -0.018 0.000 0.928 181 N HN 0.171 nan 8.380 nan 0.000 0.551 182 T N -1.047 113.453 114.554 -0.090 0.000 3.010 182 T HA 0.176 4.525 4.350 -0.001 0.000 0.252 182 T C 1.206 175.687 174.700 -0.365 0.000 1.047 182 T CA 0.242 62.237 62.100 -0.174 0.000 1.140 182 T CB 0.176 68.950 68.868 -0.157 0.000 0.885 182 T HN 0.148 nan 8.240 nan 0.000 0.464 183 M N 2.119 121.539 119.600 -0.299 0.000 2.232 183 M HA 0.280 4.760 4.480 -0.001 0.000 0.321 183 M C -2.342 173.878 176.300 -0.132 0.000 1.101 183 M CA -3.432 51.655 55.300 -0.354 0.000 1.181 183 M CB -0.597 31.939 32.600 -0.106 0.000 1.432 183 M HN -0.114 nan 8.290 nan 0.000 0.457 184 P HA 0.140 nan 4.420 nan 0.000 0.271 184 P C -0.855 176.645 177.300 0.332 0.000 1.218 184 P CA -0.204 62.968 63.100 0.121 0.000 0.780 184 P CB 0.272 32.045 31.700 0.122 0.000 0.901 185 F N 2.505 122.544 119.950 0.148 0.000 2.410 185 F HA 0.424 4.951 4.527 -0.001 0.000 0.349 185 F C 0.005 175.936 175.800 0.217 0.000 1.117 185 F CA -0.157 57.952 58.000 0.181 0.000 1.104 185 F CB 0.698 39.778 39.000 0.133 0.000 1.122 185 F HN 0.218 nan 8.300 nan 0.000 0.483 186 T N 4.971 119.350 114.554 -0.291 0.000 3.141 186 T HA 0.407 4.756 4.350 -0.001 0.000 0.377 186 T C -2.968 171.480 174.700 -0.421 0.000 1.258 186 T CA -1.973 59.993 62.100 -0.223 0.000 1.263 186 T CB 0.465 69.430 68.868 0.162 0.000 1.066 186 T HN 0.308 nan 8.240 nan 0.000 0.546 187 P HA 0.309 nan 4.420 nan 0.000 0.267 187 P C 0.654 177.823 177.300 -0.218 0.000 1.205 187 P CA -0.280 62.531 63.100 -0.481 0.000 0.765 187 P CB 0.772 32.262 31.700 -0.351 0.000 0.828 188 A N 3.385 126.107 122.820 -0.163 0.000 2.238 188 A HA 0.263 4.582 4.320 -0.001 0.000 0.210 188 A C 1.926 179.450 177.584 -0.101 0.000 1.179 188 A CA 0.867 52.848 52.037 -0.094 0.000 0.827 188 A CB -0.674 18.291 19.000 -0.058 0.000 0.856 188 A HN 0.514 nan 8.150 nan 0.000 0.488 189 A N -0.170 122.580 122.820 -0.116 0.000 2.119 189 A HA -0.001 4.319 4.320 -0.001 0.000 0.217 189 A C 1.959 179.518 177.584 -0.041 0.000 1.153 189 A CA 1.236 53.215 52.037 -0.095 0.000 0.692 189 A CB -0.565 18.383 19.000 -0.086 0.000 0.799 189 A HN 0.641 nan 8.150 nan 0.000 0.458 190 M N -0.909 118.669 119.600 -0.037 0.000 2.632 190 M HA 0.003 4.482 4.480 -0.001 0.000 0.256 190 M C 0.703 176.989 176.300 -0.024 0.000 1.080 190 M CA 1.299 56.590 55.300 -0.015 0.000 1.084 190 M CB -0.093 32.503 32.600 -0.006 0.000 1.439 190 M HN 0.304 nan 8.290 nan 0.000 0.509 191 R N -0.420 120.057 120.500 -0.037 0.000 2.590 191 R HA 0.145 4.484 4.340 -0.001 0.000 0.410 191 R C 0.362 176.633 176.300 -0.049 0.000 1.010 191 R CA 0.217 56.299 56.100 -0.030 0.000 1.155 191 R CB 0.584 30.868 30.300 -0.026 0.000 1.455 191 R HN 0.403 nan 8.270 nan 0.000 0.567 192 S N 1.751 117.388 115.700 -0.104 0.000 3.697 192 S HA -0.163 4.307 4.470 -0.001 0.000 0.388 192 S C -0.038 174.387 174.600 -0.291 0.000 0.941 192 S CA 0.879 58.914 58.200 -0.275 0.000 1.247 192 S CB -0.860 62.271 63.200 -0.115 0.000 0.904 192 S HN 0.584 nan 8.310 nan 0.000 0.518 193 E N 0.957 121.030 120.200 -0.212 0.000 3.306 193 E HA 0.139 4.488 4.350 -0.001 0.000 0.197 193 E C 0.703 177.270 176.600 -0.055 0.000 0.980 193 E CA 0.218 56.580 56.400 -0.063 0.000 1.259 193 E CB 0.785 30.479 29.700 -0.011 0.000 1.112 193 E HN 0.753 nan 8.360 nan 0.000 0.458 194 T N -2.377 112.105 114.554 -0.120 0.000 2.924 194 T HA 0.464 4.813 4.350 -0.001 0.000 0.301 194 T C 0.764 175.488 174.700 0.039 0.000 1.120 194 T CA -0.704 61.366 62.100 -0.050 0.000 0.940 194 T CB 0.595 69.436 68.868 -0.045 0.000 1.591 194 T HN -0.036 nan 8.240 nan 0.000 0.578 195 L N 0.122 121.322 121.223 -0.040 0.000 2.490 195 L HA 0.566 4.905 4.340 -0.001 0.000 0.245 195 L C 1.594 178.432 176.870 -0.054 0.000 1.185 195 L CA -1.018 53.764 54.840 -0.096 0.000 0.813 195 L CB -0.222 41.674 42.059 -0.272 0.000 1.233 195 L HN 0.939 nan 8.230 nan 0.000 0.489 196 G N -1.068 107.631 108.800 -0.168 0.000 2.684 196 G HA2 0.196 4.155 3.960 -0.001 0.000 0.255 196 G HA3 0.196 4.155 3.960 -0.001 0.000 0.255 196 G C -0.204 174.701 174.900 0.008 0.000 1.219 196 G CA -0.271 44.666 45.100 -0.272 0.000 0.901 196 G HN 0.402 nan 8.290 nan 0.000 0.548 197 F N -0.944 118.827 119.950 -0.298 0.000 2.661 197 F HA 0.356 4.883 4.527 -0.001 0.000 0.306 197 F C -0.379 175.035 175.800 -0.642 0.000 1.094 197 F CA -1.196 56.531 58.000 -0.454 0.000 1.254 197 F CB -0.379 38.264 39.000 -0.596 0.000 1.040 197 F HN 0.178 nan 8.300 nan 0.000 0.562 198 Y N 0.799 121.013 120.300 -0.144 0.000 2.350 198 Y HA 0.394 4.943 4.550 -0.001 0.000 0.338 198 Y C -1.687 174.013 175.900 -0.334 0.000 0.961 198 Y CA -2.734 55.089 58.100 -0.460 0.000 1.100 198 Y CB 1.110 39.006 38.460 -0.940 0.000 1.179 198 Y HN -0.236 nan 8.280 nan 0.000 0.454 199 P HA -0.118 nan 4.420 nan 0.000 0.219 199 P C 0.663 178.186 177.300 0.373 0.000 1.150 199 P CA 1.328 64.605 63.100 0.296 0.000 0.814 199 P CB -0.007 32.012 31.700 0.531 0.000 0.787 200 W N 1.586 123.057 121.300 0.285 0.000 3.388 200 W HA 0.310 4.969 4.660 -0.001 0.000 0.324 200 W C 0.170 176.759 176.519 0.117 0.000 1.250 200 W CA -0.633 56.822 57.345 0.183 0.000 1.809 200 W CB -0.698 28.840 29.460 0.130 0.000 1.083 200 W HN -0.081 nan 8.180 nan 0.000 0.685 201 K N 0.277 120.671 120.400 -0.009 0.000 2.422 201 K HA 0.603 4.922 4.320 -0.001 0.000 0.251 201 K C -2.922 173.650 176.600 -0.045 0.000 0.933 201 K CA -2.026 54.256 56.287 -0.008 0.000 0.798 201 K CB 2.319 34.747 32.500 -0.120 0.000 1.238 201 K HN -0.342 nan 8.250 nan 0.000 0.428 202 P HA 0.165 nan 4.420 nan 0.000 0.274 202 P C -0.624 176.587 177.300 -0.148 0.000 1.260 202 P CA -0.273 62.742 63.100 -0.143 0.000 0.793 202 P CB 0.889 32.480 31.700 -0.182 0.000 1.048 203 T N -1.785 112.664 114.554 -0.174 0.000 2.653 203 T HA 0.686 5.035 4.350 -0.001 0.000 0.306 203 T C -1.699 172.907 174.700 -0.157 0.000 1.426 203 T CA -0.611 61.392 62.100 -0.163 0.000 1.008 203 T CB 0.272 69.039 68.868 -0.169 0.000 1.692 203 T HN 0.391 nan 8.240 nan 0.000 0.483 204 I N -1.101 119.391 120.570 -0.130 0.000 3.093 204 I HA 0.787 4.956 4.170 -0.001 0.000 0.308 204 I C -3.057 173.017 176.117 -0.071 0.000 1.303 204 I CA -2.712 58.531 61.300 -0.096 0.000 0.975 204 I CB 2.247 40.228 38.000 -0.031 0.000 1.286 204 I HN 0.446 nan 8.210 nan 0.000 0.459 205 P HA 0.377 nan 4.420 nan 0.000 0.280 205 P C -0.741 176.589 177.300 0.049 0.000 1.272 205 P CA -0.134 62.974 63.100 0.014 0.000 0.819 205 P CB 1.323 33.070 31.700 0.079 0.000 1.122 206 T N -3.516 111.091 114.554 0.088 0.000 2.940 206 T HA 0.637 4.987 4.350 -0.001 0.000 0.288 206 T C -2.783 172.026 174.700 0.183 0.000 1.045 206 T CA -2.671 59.494 62.100 0.109 0.000 1.018 206 T CB 0.975 69.904 68.868 0.103 0.000 1.151 206 T HN 0.140 nan 8.240 nan 0.000 0.529 207 P HA 0.260 nan 4.420 nan 0.000 0.286 207 P C -1.356 176.109 177.300 0.275 0.000 1.269 207 P CA -0.432 62.783 63.100 0.192 0.000 0.787 207 P CB 0.353 32.113 31.700 0.099 0.000 0.920 208 W N 6.186 127.572 121.300 0.144 0.000 2.316 208 W HA 0.392 5.051 4.660 -0.001 0.000 0.321 208 W C 0.302 176.900 176.519 0.132 0.000 1.203 208 W CA 0.205 57.647 57.345 0.161 0.000 1.214 208 W CB 0.827 30.421 29.460 0.224 0.000 1.169 208 W HN 0.392 nan 8.180 nan 0.000 0.561 209 R N 4.608 124.701 120.500 -0.678 0.000 2.734 209 R HA 0.613 4.952 4.340 -0.001 0.000 0.271 209 R C -1.965 173.876 176.300 -0.765 0.000 1.021 209 R CA -0.930 54.785 56.100 -0.642 0.000 0.893 209 R CB 1.913 32.003 30.300 -0.350 0.000 1.244 209 R HN 0.648 nan 8.270 nan 0.000 0.464 210 Y N -2.020 117.926 120.300 -0.589 0.000 2.625 210 Y HA 0.549 5.099 4.550 -0.001 0.000 0.338 210 Y C -1.368 174.440 175.900 -0.154 0.000 1.123 210 Y CA -1.681 56.162 58.100 -0.428 0.000 1.046 210 Y CB 0.666 38.929 38.460 -0.328 0.000 1.299 210 Y HN 0.455 nan 8.280 nan 0.000 0.464 211 Y N 1.824 122.305 120.300 0.301 0.000 2.480 211 Y HA 0.289 4.839 4.550 -0.001 0.000 0.338 211 Y C -0.325 175.856 175.900 0.469 0.000 1.220 211 Y CA -0.052 58.239 58.100 0.319 0.000 1.430 211 Y CB 0.377 39.022 38.460 0.308 0.000 1.311 211 Y HN 0.636 nan 8.280 nan 0.000 0.575 212 F N 2.838 123.081 119.950 0.489 0.000 2.551 212 F HA 0.320 4.846 4.527 -0.001 0.000 0.316 212 F C -0.238 175.850 175.800 0.481 0.000 1.089 212 F CA -1.100 57.121 58.000 0.369 0.000 0.915 212 F CB 1.224 40.334 39.000 0.183 0.000 1.186 212 F HN 0.371 nan 8.300 nan 0.000 0.456 213 Q N 4.426 123.997 119.800 -0.382 0.000 2.395 213 Q HA 0.185 4.524 4.340 -0.001 0.000 0.271 213 Q C -1.532 174.611 176.000 0.239 0.000 1.026 213 Q CA 0.274 55.999 55.803 -0.130 0.000 0.900 213 Q CB 1.079 29.611 28.738 -0.343 0.000 1.266 213 Q HN 0.774 nan 8.270 nan 0.000 0.430 214 W N 2.514 123.811 121.300 -0.004 0.000 3.571 214 W HA 0.403 5.062 4.660 -0.001 0.000 0.294 214 W C -1.824 174.651 176.519 -0.073 0.000 1.257 214 W CA -0.851 56.499 57.345 0.008 0.000 1.206 214 W CB 0.529 30.097 29.460 0.181 0.000 1.325 214 W HN 0.339 nan 8.180 nan 0.000 0.546 215 D N 2.601 122.893 120.400 -0.179 0.000 2.210 215 D HA 0.557 5.197 4.640 -0.001 0.000 0.249 215 D C -0.554 175.773 176.300 0.046 0.000 1.062 215 D CA -0.295 53.590 54.000 -0.192 0.000 0.891 215 D CB 1.808 42.492 40.800 -0.192 0.000 1.186 215 D HN 0.570 nan 8.370 nan 0.000 0.432 216 R N -0.170 120.410 120.500 0.134 0.000 2.579 216 R HA 0.431 4.771 4.340 -0.001 0.000 0.260 216 R C -1.855 174.617 176.300 0.287 0.000 1.103 216 R CA -0.494 55.814 56.100 0.346 0.000 0.942 216 R CB 0.962 31.553 30.300 0.484 0.000 1.251 216 R HN 0.256 nan 8.270 nan 0.000 0.450 217 T N 4.055 118.796 114.554 0.312 0.000 2.893 217 T HA 0.734 5.083 4.350 -0.001 0.000 0.291 217 T C -1.590 173.197 174.700 0.144 0.000 1.028 217 T CA -0.581 61.658 62.100 0.231 0.000 0.995 217 T CB 1.396 70.463 68.868 0.332 0.000 1.051 217 T HN 0.571 nan 8.240 nan 0.000 0.470 218 L N 3.540 124.828 121.223 0.109 0.000 2.849 218 L HA 0.456 4.796 4.340 -0.001 0.000 0.256 218 L C -1.840 175.057 176.870 0.045 0.000 0.951 218 L CA -0.605 54.279 54.840 0.073 0.000 1.003 218 L CB 0.889 42.999 42.059 0.085 0.000 1.408 218 L HN 0.489 nan 8.230 nan 0.000 0.463 219 I N 6.384 126.969 120.570 0.024 0.000 2.416 219 I HA 0.361 4.531 4.170 -0.001 0.000 0.288 219 I C -1.745 174.363 176.117 -0.015 0.000 1.051 219 I CA -1.716 59.587 61.300 0.005 0.000 1.375 219 I CB 0.564 38.562 38.000 -0.002 0.000 1.407 219 I HN 0.490 nan 8.210 nan 0.000 0.516 220 P HA 0.244 nan 4.420 nan 0.000 0.272 220 P C -0.508 176.760 177.300 -0.053 0.000 1.230 220 P CA -0.090 62.984 63.100 -0.043 0.000 0.788 220 P CB 0.921 32.596 31.700 -0.043 0.000 0.949 221 S N -0.164 115.497 115.700 -0.064 0.000 2.688 221 S HA 0.727 5.196 4.470 -0.001 0.000 0.275 221 S C -0.949 173.618 174.600 -0.055 0.000 1.175 221 S CA -0.740 57.397 58.200 -0.103 0.000 0.818 221 S CB 1.324 64.459 63.200 -0.108 0.000 1.157 221 S HN 0.841 nan 8.310 nan 0.000 0.482 222 H N -2.481 116.567 119.070 -0.038 0.000 2.908 222 H HA 0.689 5.245 4.556 -0.001 0.000 0.350 222 H C 0.974 176.282 175.328 -0.032 0.000 1.217 222 H CA -0.242 55.782 56.048 -0.039 0.000 1.168 222 H CB 0.052 29.792 29.762 -0.036 0.000 1.891 222 H HN 0.390 nan 8.280 nan 0.000 0.566 223 T N 0.227 114.943 114.554 0.270 0.000 2.624 223 T HA -0.188 4.162 4.350 -0.001 0.000 0.268 223 T C 2.118 176.936 174.700 0.197 0.000 1.041 223 T CA 2.452 64.649 62.100 0.162 0.000 1.159 223 T CB -0.979 67.948 68.868 0.098 0.000 0.863 223 T HN 0.852 nan 8.240 nan 0.000 0.434 224 G N 0.984 110.079 108.800 0.491 0.000 2.535 224 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.218 224 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.218 224 G C 0.664 175.607 174.900 0.073 0.000 1.122 224 G CA 0.490 45.801 45.100 0.351 0.000 0.769 224 G HN 0.445 nan 8.290 nan 0.000 0.549 225 T N 1.781 116.157 114.554 -0.296 0.000 2.829 225 T HA 0.318 4.668 4.350 -0.001 0.000 0.293 225 T C 0.789 175.407 174.700 -0.138 0.000 0.970 225 T CA 0.209 62.098 62.100 -0.352 0.000 1.168 225 T CB 0.727 69.313 68.868 -0.469 0.000 0.911 225 T HN 0.332 nan 8.240 nan 0.000 0.535 226 S N 3.314 118.952 115.700 -0.103 0.000 2.505 226 S HA 0.607 5.076 4.470 -0.001 0.000 0.276 226 S C 1.021 175.590 174.600 -0.053 0.000 1.274 226 S CA -0.175 57.991 58.200 -0.056 0.000 1.053 226 S CB 0.632 63.810 63.200 -0.036 0.000 0.919 226 S HN 1.302 nan 8.310 nan 0.000 0.490 227 G N 2.664 111.441 108.800 -0.039 0.000 2.498 227 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.245 227 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.245 227 G C -0.329 174.550 174.900 -0.035 0.000 1.204 227 G CA -0.221 44.859 45.100 -0.032 0.000 0.933 227 G HN 1.396 nan 8.290 nan 0.000 0.574 228 T N 3.324 117.860 114.554 -0.031 0.000 3.009 228 T HA 0.594 4.943 4.350 -0.001 0.000 0.346 228 T C -2.421 172.263 174.700 -0.027 0.000 1.092 228 T CA -0.296 61.787 62.100 -0.028 0.000 1.080 228 T CB 1.703 70.558 68.868 -0.022 0.000 1.037 228 T HN 0.686 nan 8.240 nan 0.000 0.487 229 P HA 0.159 nan 4.420 nan 0.000 0.268 229 P C 0.395 177.687 177.300 -0.014 0.000 1.204 229 P CA -0.282 62.802 63.100 -0.026 0.000 0.768 229 P CB 0.028 31.707 31.700 -0.035 0.000 0.842 230 T N -0.040 114.511 114.554 -0.005 0.000 2.923 230 T HA 0.029 4.378 4.350 -0.001 0.000 0.304 230 T C 0.277 174.981 174.700 0.007 0.000 1.044 230 T CA -0.328 61.773 62.100 0.001 0.000 1.141 230 T CB -0.199 68.676 68.868 0.013 0.000 1.023 230 T HN 0.558 nan 8.240 nan 0.000 0.533 231 N N 2.880 121.580 118.700 0.000 0.000 2.793 231 N HA 0.338 5.077 4.740 -0.001 0.000 0.251 231 N C -0.980 174.531 175.510 0.003 0.000 1.308 231 N CA -0.867 52.191 53.050 0.013 0.000 0.781 231 N CB 0.398 38.889 38.487 0.006 0.000 1.439 231 N HN 0.969 nan 8.380 nan 0.000 0.562 232 I N -1.237 119.329 120.570 -0.007 0.000 3.102 232 I HA 0.595 4.764 4.170 -0.001 0.000 0.310 232 I C -1.741 174.373 176.117 -0.006 0.000 1.246 232 I CA -1.102 60.168 61.300 -0.051 0.000 0.979 232 I CB 2.346 40.215 38.000 -0.218 0.000 1.267 232 I HN 0.226 nan 8.210 nan 0.000 0.451 233 Y N 3.447 123.689 120.300 -0.097 0.000 2.417 233 Y HA 0.454 5.004 4.550 -0.001 0.000 0.336 233 Y C 0.798 176.700 175.900 0.003 0.000 0.961 233 Y CA -0.187 57.932 58.100 0.030 0.000 1.215 233 Y CB 0.497 38.972 38.460 0.024 0.000 1.120 233 Y HN 0.537 nan 8.280 nan 0.000 0.499 234 H N 3.584 122.495 119.070 -0.264 0.000 2.363 234 H HA 0.171 4.726 4.556 -0.001 0.000 0.301 234 H C 1.247 176.432 175.328 -0.239 0.000 1.074 234 H CA 1.265 57.208 56.048 -0.175 0.000 1.354 234 H CB 0.360 30.050 29.762 -0.121 0.000 1.397 234 H HN 0.871 nan 8.280 nan 0.000 0.516 235 G N -0.314 108.239 108.800 -0.412 0.000 2.295 235 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.155 235 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.155 235 G C -1.145 173.719 174.900 -0.059 0.000 1.307 235 G CA -0.193 44.807 45.100 -0.167 0.000 1.140 235 G HN 0.203 nan 8.290 nan 0.000 0.470 236 T N 1.165 115.751 114.554 0.054 0.000 2.937 236 T HA 0.498 4.847 4.350 -0.001 0.000 0.297 236 T C -1.474 173.229 174.700 0.006 0.000 0.991 236 T CA -0.349 61.792 62.100 0.068 0.000 0.990 236 T CB 1.872 70.862 68.868 0.204 0.000 0.991 236 T HN 0.621 nan 8.240 nan 0.000 0.440 237 D N 4.836 125.204 120.400 -0.054 0.000 2.346 237 D HA 0.135 4.775 4.640 -0.001 0.000 0.267 237 D C -1.039 175.231 176.300 -0.050 0.000 1.320 237 D CA -2.009 51.953 54.000 -0.064 0.000 0.951 237 D CB 1.144 41.883 40.800 -0.101 0.000 1.079 237 D HN 0.117 nan 8.370 nan 0.000 0.509 238 P HA -0.169 nan 4.420 nan 0.000 0.219 238 P C 0.653 177.937 177.300 -0.028 0.000 1.144 238 P CA 0.949 64.045 63.100 -0.006 0.000 0.806 238 P CB 0.378 32.083 31.700 0.008 0.000 0.771 239 D N 0.175 120.551 120.400 -0.040 0.000 2.117 239 D HA -0.115 4.524 4.640 -0.001 0.000 0.198 239 D C 0.964 177.226 176.300 -0.064 0.000 0.982 239 D CA 1.105 55.079 54.000 -0.044 0.000 0.828 239 D CB -0.684 40.088 40.800 -0.046 0.000 0.967 239 D HN 0.228 nan 8.370 nan 0.000 0.464 240 D N 0.700 121.044 120.400 -0.093 0.000 2.332 240 D HA 0.013 4.652 4.640 -0.001 0.000 0.244 240 D C 0.093 176.290 176.300 -0.171 0.000 1.136 240 D CA 0.034 53.958 54.000 -0.126 0.000 0.884 240 D CB 0.304 41.013 40.800 -0.153 0.000 0.906 240 D HN 0.014 nan 8.370 nan 0.000 0.520 241 V N 1.073 120.904 119.914 -0.138 0.000 2.530 241 V HA 0.147 4.266 4.120 -0.001 0.000 0.282 241 V C 0.208 176.224 176.094 -0.131 0.000 1.048 241 V CA -0.044 62.148 62.300 -0.181 0.000 0.997 241 V CB 1.224 33.020 31.823 -0.045 0.000 0.987 241 V HN 0.014 nan 8.190 nan 0.000 0.477 242 Q N 4.320 124.023 119.800 -0.162 0.000 2.263 242 Q HA 0.446 4.785 4.340 -0.001 0.000 0.266 242 Q C -1.573 174.425 176.000 -0.003 0.000 1.002 242 Q CA -0.514 55.195 55.803 -0.158 0.000 0.790 242 Q CB 2.755 31.316 28.738 -0.296 0.000 1.272 242 Q HN 0.666 nan 8.270 nan 0.000 0.435 243 F N 3.581 123.385 119.950 -0.243 0.000 2.496 243 F HA 0.518 5.045 4.527 -0.001 0.000 0.341 243 F C -1.916 173.792 175.800 -0.153 0.000 1.134 243 F CA -0.983 57.001 58.000 -0.026 0.000 0.968 243 F CB 0.591 39.639 39.000 0.080 0.000 1.205 243 F HN 0.427 nan 8.300 nan 0.000 0.436 244 Y N 2.052 122.376 120.300 0.040 0.000 2.568 244 Y HA 0.715 5.264 4.550 -0.001 0.000 0.327 244 Y C 0.503 176.103 175.900 -0.501 0.000 1.163 244 Y CA -0.674 57.245 58.100 -0.303 0.000 1.219 244 Y CB 1.955 40.307 38.460 -0.181 0.000 1.308 244 Y HN 0.611 nan 8.280 nan 0.000 0.503 245 T N -2.026 112.382 114.554 -0.243 0.000 2.916 245 T HA 0.386 4.736 4.350 -0.001 0.000 0.305 245 T C 0.266 174.920 174.700 -0.077 0.000 1.119 245 T CA -0.731 61.201 62.100 -0.280 0.000 1.008 245 T CB 1.119 69.710 68.868 -0.461 0.000 1.129 245 T HN 0.378 nan 8.240 nan 0.000 0.480 246 I N 1.310 121.885 120.570 0.007 0.000 2.142 246 I HA -0.087 4.082 4.170 -0.001 0.000 0.240 246 I C 2.429 178.494 176.117 -0.088 0.000 1.078 246 I CA 1.543 62.699 61.300 -0.240 0.000 1.343 246 I CB -1.376 36.223 38.000 -0.668 0.000 1.046 246 I HN 0.798 nan 8.210 nan 0.000 0.405 247 E N 0.770 121.028 120.200 0.098 0.000 2.233 247 E HA -0.234 4.115 4.350 -0.001 0.000 0.199 247 E C 1.624 178.243 176.600 0.031 0.000 1.004 247 E CA 1.382 57.851 56.400 0.114 0.000 0.819 247 E CB -0.466 29.364 29.700 0.217 0.000 0.738 247 E HN 0.538 nan 8.360 nan 0.000 0.478 248 N N -1.423 117.269 118.700 -0.013 0.000 2.280 248 N HA 0.109 4.849 4.740 -0.001 0.000 0.192 248 N C 0.239 175.729 175.510 -0.033 0.000 1.109 248 N CA 0.266 53.300 53.050 -0.026 0.000 0.855 248 N CB 0.730 39.182 38.487 -0.058 0.000 0.974 248 N HN -0.078 nan 8.380 nan 0.000 0.482 249 S N -1.042 114.626 115.700 -0.053 0.000 2.649 249 S HA 0.267 4.736 4.470 -0.001 0.000 0.246 249 S C 0.048 174.610 174.600 -0.064 0.000 1.057 249 S CA -0.323 57.844 58.200 -0.055 0.000 1.051 249 S CB 1.358 64.518 63.200 -0.066 0.000 1.018 249 S HN -0.110 nan 8.310 nan 0.000 0.569 250 V N 2.511 122.378 119.914 -0.078 0.000 3.102 250 V HA 0.562 4.681 4.120 -0.001 0.000 0.312 250 V C -2.845 173.211 176.094 -0.064 0.000 1.135 250 V CA -2.048 60.209 62.300 -0.071 0.000 1.022 250 V CB 2.019 33.779 31.823 -0.106 0.000 1.056 250 V HN -0.056 nan 8.190 nan 0.000 0.436 251 P HA 0.528 nan 4.420 nan 0.000 0.298 251 P C -1.296 175.912 177.300 -0.154 0.000 1.314 251 P CA -0.398 62.638 63.100 -0.107 0.000 0.854 251 P CB 1.539 33.163 31.700 -0.127 0.000 1.019 252 V N 3.797 123.631 119.914 -0.134 0.000 2.435 252 V HA 0.277 4.396 4.120 -0.001 0.000 0.290 252 V C 0.064 176.056 176.094 -0.170 0.000 1.030 252 V CA -0.465 61.798 62.300 -0.060 0.000 0.881 252 V CB 0.741 32.629 31.823 0.108 0.000 0.983 252 V HN 0.563 nan 8.190 nan 0.000 0.445 253 H N 3.833 122.938 119.070 0.059 0.000 2.479 253 H HA 0.644 5.200 4.556 -0.001 0.000 0.335 253 H C -0.548 174.805 175.328 0.041 0.000 1.142 253 H CA -0.548 55.535 56.048 0.059 0.000 1.234 253 H CB 1.352 31.153 29.762 0.066 0.000 1.503 253 H HN 0.449 nan 8.280 nan 0.000 0.510 254 L N 4.255 125.583 121.223 0.174 0.000 2.298 254 L HA 0.367 4.707 4.340 -0.001 0.000 0.284 254 L C -0.829 176.096 176.870 0.092 0.000 1.013 254 L CA -0.424 54.475 54.840 0.098 0.000 0.824 254 L CB 0.860 42.957 42.059 0.064 0.000 1.221 254 L HN 0.344 nan 8.230 nan 0.000 0.418 255 L N 3.408 124.664 121.223 0.055 0.000 2.325 255 L HA 0.610 4.949 4.340 -0.001 0.000 0.278 255 L C 0.193 177.086 176.870 0.039 0.000 1.023 255 L CA -0.718 54.155 54.840 0.054 0.000 0.811 255 L CB 1.948 44.027 42.059 0.033 0.000 1.249 255 L HN 0.648 nan 8.230 nan 0.000 0.431 256 R N 0.131 120.659 120.500 0.048 0.000 2.843 256 R HA 0.403 4.743 4.340 -0.001 0.000 0.232 256 R C 0.997 177.329 176.300 0.054 0.000 1.305 256 R CA -0.701 55.423 56.100 0.040 0.000 1.096 256 R CB 0.898 31.220 30.300 0.036 0.000 1.455 256 R HN 0.575 nan 8.270 nan 0.000 0.520 257 T N 0.186 114.772 114.554 0.053 0.000 2.720 257 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 257 T C 1.800 176.551 174.700 0.086 0.000 1.037 257 T CA 1.749 63.893 62.100 0.073 0.000 1.144 257 T CB -0.510 68.397 68.868 0.065 0.000 0.864 257 T HN 0.843 nan 8.240 nan 0.000 0.444 258 G N 1.717 110.558 108.800 0.068 0.000 2.471 258 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.219 258 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.219 258 G C 0.468 175.413 174.900 0.074 0.000 1.125 258 G CA 0.252 45.392 45.100 0.067 0.000 0.775 258 G HN 0.389 nan 8.290 nan 0.000 0.548 259 D N 0.379 120.826 120.400 0.079 0.000 2.377 259 D HA 0.469 5.109 4.640 -0.001 0.000 0.245 259 D C 0.342 176.710 176.300 0.113 0.000 1.196 259 D CA 0.216 54.267 54.000 0.085 0.000 0.962 259 D CB 1.334 42.183 40.800 0.082 0.000 1.127 259 D HN 0.506 nan 8.370 nan 0.000 0.471 260 E N -0.754 119.516 120.200 0.118 0.000 2.388 260 E HA 0.539 4.888 4.350 -0.001 0.000 0.280 260 E C -1.912 174.790 176.600 0.171 0.000 1.019 260 E CA -0.948 55.549 56.400 0.162 0.000 0.806 260 E CB 1.163 30.949 29.700 0.143 0.000 1.246 260 E HN 0.273 nan 8.360 nan 0.000 0.443 261 F N 1.522 121.467 119.950 -0.007 0.000 2.603 261 F HA 0.915 5.442 4.527 -0.001 0.000 0.317 261 F C -1.698 174.059 175.800 -0.073 0.000 1.066 261 F CA -0.322 57.625 58.000 -0.088 0.000 0.941 261 F CB 2.223 41.148 39.000 -0.126 0.000 1.291 261 F HN 0.918 nan 8.300 nan 0.000 0.472 262 A N 2.127 124.241 122.820 -1.176 0.000 2.540 262 A HA 0.605 4.924 4.320 -0.001 0.000 0.297 262 A C -0.847 176.183 177.584 -0.924 0.000 1.056 262 A CA -0.238 51.346 52.037 -0.755 0.000 0.700 262 A CB 0.901 19.671 19.000 -0.383 0.000 1.280 262 A HN 0.994 nan 8.150 nan 0.000 0.398 263 T N 0.136 114.390 114.554 -0.500 0.000 2.902 263 T HA 0.692 5.042 4.350 -0.001 0.000 0.280 263 T C 1.025 175.541 174.700 -0.306 0.000 0.992 263 T CA 0.096 61.979 62.100 -0.362 0.000 1.015 263 T CB 1.295 70.040 68.868 -0.204 0.000 1.044 263 T HN 1.467 nan 8.240 nan 0.000 0.520 264 G N 0.241 108.901 108.800 -0.232 0.000 2.529 264 G HA2 0.456 4.415 3.960 -0.001 0.000 0.234 264 G HA3 0.456 4.415 3.960 -0.001 0.000 0.234 264 G C -0.404 174.355 174.900 -0.234 0.000 1.527 264 G CA -0.434 44.547 45.100 -0.199 0.000 1.062 264 G HN 0.850 nan 8.290 nan 0.000 0.558 265 T N -0.132 114.291 114.554 -0.218 0.000 2.856 265 T HA 0.492 4.841 4.350 -0.001 0.000 0.283 265 T C -1.422 173.058 174.700 -0.367 0.000 1.008 265 T CA -0.082 61.814 62.100 -0.341 0.000 0.997 265 T CB 1.525 70.161 68.868 -0.387 0.000 0.992 265 T HN 0.305 nan 8.240 nan 0.000 0.454 266 F N 2.740 122.283 119.950 -0.677 0.000 2.508 266 F HA 0.734 5.260 4.527 -0.001 0.000 0.325 266 F C -1.623 173.633 175.800 -0.906 0.000 1.090 266 F CA -1.445 56.171 58.000 -0.639 0.000 0.945 266 F CB 0.962 39.617 39.000 -0.575 0.000 1.156 266 F HN 0.466 nan 8.300 nan 0.000 0.463 267 F N 5.094 124.512 119.950 -0.887 0.000 2.469 267 F HA 0.484 5.010 4.527 -0.001 0.000 0.332 267 F C -0.809 174.573 175.800 -0.696 0.000 1.103 267 F CA -0.730 56.909 58.000 -0.602 0.000 0.979 267 F CB 1.173 39.917 39.000 -0.425 0.000 1.137 267 F HN 0.208 nan 8.300 nan 0.000 0.463 268 F N 1.269 121.217 119.950 -0.004 0.000 2.384 268 F HA 0.273 4.799 4.527 -0.001 0.000 0.338 268 F C 0.267 176.054 175.800 -0.021 0.000 1.103 268 F CA -0.527 57.469 58.000 -0.006 0.000 1.157 268 F CB 0.760 39.693 39.000 -0.112 0.000 1.167 268 F HN 0.303 nan 8.300 nan 0.000 0.529 269 D N 3.030 123.550 120.400 0.201 0.000 2.464 269 D HA 0.483 5.122 4.640 -0.001 0.000 0.243 269 D C -1.381 175.018 176.300 0.165 0.000 1.104 269 D CA -0.190 53.887 54.000 0.129 0.000 0.883 269 D CB 0.573 41.406 40.800 0.054 0.000 1.050 269 D HN 0.620 nan 8.370 nan 0.000 0.524 270 C N 1.605 121.008 119.300 0.172 0.000 3.284 270 C HA 0.555 5.015 4.460 -0.001 0.000 0.338 270 C C 0.024 175.154 174.990 0.233 0.000 1.237 270 C CA -1.373 57.762 59.018 0.196 0.000 1.276 270 C CB 0.537 28.416 27.740 0.231 0.000 1.601 270 C HN 0.447 nan 8.230 nan 0.000 0.494 271 K N 1.213 121.751 120.400 0.231 0.000 2.285 271 K HA 0.372 4.691 4.320 -0.001 0.000 0.255 271 K C -2.221 174.567 176.600 0.313 0.000 1.000 271 K CA -0.222 56.201 56.287 0.227 0.000 0.887 271 K CB 0.024 32.620 32.500 0.159 0.000 0.997 271 K HN 0.558 nan 8.250 nan 0.000 0.510 272 P HA 0.159 nan 4.420 nan 0.000 0.279 272 P C -0.904 176.449 177.300 0.088 0.000 1.276 272 P CA -0.733 62.404 63.100 0.063 0.000 0.801 272 P CB 0.777 32.293 31.700 -0.306 0.000 1.127 273 C N 0.939 120.269 119.300 0.051 0.000 2.498 273 C HA 0.611 5.070 4.460 -0.001 0.000 0.316 273 C C -0.115 174.846 174.990 -0.048 0.000 1.209 273 C CA -0.495 58.481 59.018 -0.071 0.000 1.518 273 C CB 0.411 28.013 27.740 -0.229 0.000 2.147 273 C HN 0.533 nan 8.230 nan 0.000 0.483 274 R N 3.751 124.223 120.500 -0.047 0.000 2.674 274 R HA 0.594 4.934 4.340 -0.001 0.000 0.266 274 R C -0.232 176.038 176.300 -0.049 0.000 1.016 274 R CA -0.643 55.433 56.100 -0.041 0.000 1.062 274 R CB 0.822 31.109 30.300 -0.022 0.000 1.142 274 R HN 0.711 nan 8.270 nan 0.000 0.517 275 L N 0.992 122.176 121.223 -0.066 0.000 3.110 275 L HA 0.234 4.573 4.340 -0.001 0.000 0.266 275 L C -0.262 176.573 176.870 -0.059 0.000 1.257 275 L CA -0.243 54.547 54.840 -0.084 0.000 1.038 275 L CB 0.311 42.278 42.059 -0.153 0.000 1.395 275 L HN 0.787 nan 8.230 nan 0.000 0.566 276 T N -3.760 110.773 114.554 -0.035 0.000 2.916 276 T HA 0.507 4.856 4.350 -0.001 0.000 0.292 276 T C -0.573 174.129 174.700 0.004 0.000 1.055 276 T CA -0.702 61.360 62.100 -0.064 0.000 1.009 276 T CB 2.322 71.125 68.868 -0.108 0.000 1.118 276 T HN 0.221 nan 8.240 nan 0.000 0.497 277 H N -0.458 118.637 119.070 0.042 0.000 2.731 277 H HA 0.722 5.278 4.556 -0.001 0.000 0.368 277 H C -0.564 174.829 175.328 0.107 0.000 1.168 277 H CA -0.871 55.229 56.048 0.087 0.000 1.181 277 H CB 1.544 31.385 29.762 0.132 0.000 1.743 277 H HN 0.865 nan 8.280 nan 0.000 0.547 278 T N -1.090 113.618 114.554 0.256 0.000 2.936 278 T HA 0.257 4.607 4.350 -0.001 0.000 0.282 278 T C 0.692 175.622 174.700 0.384 0.000 1.003 278 T CA -0.705 61.487 62.100 0.152 0.000 1.005 278 T CB 1.486 70.374 68.868 0.035 0.000 1.097 278 T HN 0.972 nan 8.240 nan 0.000 0.532 279 W N -1.010 120.392 121.300 0.170 0.000 2.120 279 W HA 0.234 4.893 4.660 -0.001 0.000 0.227 279 W C -0.366 176.214 176.519 0.100 0.000 0.910 279 W CA -0.677 56.765 57.345 0.160 0.000 1.111 279 W CB -0.025 29.543 29.460 0.179 0.000 0.887 279 W HN 0.559 nan 8.180 nan 0.000 0.598 280 Q N 3.011 122.510 119.800 -0.502 0.000 2.373 280 Q HA 0.338 4.677 4.340 -0.001 0.000 0.255 280 Q C 0.619 176.582 176.000 -0.061 0.000 0.980 280 Q CA 0.939 56.505 55.803 -0.396 0.000 0.882 280 Q CB 1.357 29.666 28.738 -0.715 0.000 1.249 280 Q HN 0.072 nan 8.270 nan 0.000 0.438 281 T N -2.005 112.574 114.554 0.042 0.000 2.841 281 T HA 0.244 4.594 4.350 -0.001 0.000 0.276 281 T C 0.637 175.338 174.700 0.000 0.000 1.003 281 T CA -0.874 61.249 62.100 0.038 0.000 0.995 281 T CB 0.674 69.592 68.868 0.083 0.000 1.260 281 T HN 0.454 nan 8.240 nan 0.000 0.581 282 N N -0.044 118.654 118.700 -0.004 0.000 2.334 282 N HA -0.074 4.665 4.740 -0.001 0.000 0.187 282 N C 1.762 177.266 175.510 -0.011 0.000 1.016 282 N CA 0.669 53.700 53.050 -0.030 0.000 0.879 282 N CB -0.255 38.216 38.487 -0.028 0.000 0.965 282 N HN 0.348 nan 8.380 nan 0.000 0.438 283 R N -0.132 120.386 120.500 0.030 0.000 2.193 283 R HA 0.166 4.506 4.340 -0.001 0.000 0.213 283 R C 0.516 176.859 176.300 0.071 0.000 1.055 283 R CA 0.474 56.606 56.100 0.054 0.000 0.995 283 R CB -0.066 30.281 30.300 0.078 0.000 0.893 283 R HN 0.139 nan 8.270 nan 0.000 0.459 284 A N 0.839 123.698 122.820 0.066 0.000 2.713 284 A HA 0.344 4.663 4.320 -0.001 0.000 0.296 284 A C 0.090 177.687 177.584 0.021 0.000 1.255 284 A CA -0.342 51.750 52.037 0.092 0.000 0.955 284 A CB 0.050 19.169 19.000 0.198 0.000 1.149 284 A HN 0.020 nan 8.150 nan 0.000 0.538 285 L N 0.245 121.463 121.223 -0.009 0.000 2.307 285 L HA 0.695 5.034 4.340 -0.001 0.000 0.284 285 L C 0.899 177.815 176.870 0.077 0.000 1.023 285 L CA -0.018 54.803 54.840 -0.031 0.000 0.810 285 L CB 1.246 43.145 42.059 -0.267 0.000 1.231 285 L HN 0.596 nan 8.230 nan 0.000 0.423 286 G N 2.239 111.198 108.800 0.266 0.000 2.627 286 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.214 286 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.214 286 G C -1.117 173.873 174.900 0.151 0.000 1.331 286 G CA -0.757 44.500 45.100 0.262 0.000 0.891 286 G HN 0.566 nan 8.290 nan 0.000 0.539 287 L N 2.654 123.950 121.223 0.120 0.000 2.369 287 L HA 0.563 4.902 4.340 -0.001 0.000 0.279 287 L C -1.061 175.867 176.870 0.097 0.000 1.108 287 L CA -1.056 53.841 54.840 0.096 0.000 0.852 287 L CB 0.064 42.170 42.059 0.078 0.000 1.169 287 L HN 0.585 nan 8.230 nan 0.000 0.452 288 P HA 0.288 nan 4.420 nan 0.000 0.272 288 P C -2.674 174.692 177.300 0.110 0.000 1.240 288 P CA -1.103 62.057 63.100 0.100 0.000 0.791 288 P CB -0.546 31.214 31.700 0.100 0.000 0.978 289 P HA 0.166 nan 4.420 nan 0.000 0.275 289 P C -0.677 176.718 177.300 0.159 0.000 1.227 289 P CA -0.285 62.888 63.100 0.122 0.000 0.781 289 P CB 0.208 31.958 31.700 0.084 0.000 0.906 290 F N 3.575 123.546 119.950 0.036 0.000 2.456 290 F HA 0.230 4.757 4.527 -0.001 0.000 0.358 290 F C -0.392 175.428 175.800 0.034 0.000 1.095 290 F CA -0.532 57.487 58.000 0.032 0.000 1.216 290 F CB 0.112 39.129 39.000 0.028 0.000 1.125 290 F HN 0.087 nan 8.300 nan 0.000 0.549 291 L N 7.262 128.015 121.223 -0.783 0.000 2.265 291 L HA 0.241 4.580 4.340 -0.001 0.000 0.288 291 L C 0.959 177.181 176.870 -1.081 0.000 1.058 291 L CA -0.510 53.924 54.840 -0.677 0.000 0.809 291 L CB 0.675 42.522 42.059 -0.353 0.000 1.179 291 L HN 0.647 nan 8.230 nan 0.000 0.429 292 N N 0.867 119.190 118.700 -0.629 0.000 2.515 292 N HA -0.051 4.688 4.740 -0.001 0.000 0.185 292 N C 0.206 175.588 175.510 -0.212 0.000 1.109 292 N CA 0.387 53.202 53.050 -0.391 0.000 0.903 292 N CB 0.588 39.009 38.487 -0.109 0.000 0.969 292 N HN 0.502 nan 8.380 nan 0.000 0.450 293 S N 0.370 115.948 115.700 -0.204 0.000 2.736 293 S HA 0.510 4.979 4.470 -0.001 0.000 0.285 293 S C -0.895 173.654 174.600 -0.085 0.000 1.163 293 S CA -0.690 57.448 58.200 -0.104 0.000 1.025 293 S CB 0.397 63.563 63.200 -0.056 0.000 1.030 293 S HN 0.001 nan 8.310 nan 0.000 0.486 294 L N 4.905 126.091 121.223 -0.060 0.000 2.344 294 L HA 0.631 4.970 4.340 -0.001 0.000 0.272 294 L C -1.853 175.003 176.870 -0.024 0.000 1.035 294 L CA -2.270 52.547 54.840 -0.039 0.000 0.807 294 L CB 0.953 42.994 42.059 -0.030 0.000 1.237 294 L HN 0.478 nan 8.230 nan 0.000 0.442 295 P HA 0.129 nan 4.420 nan 0.000 0.272 295 P C -0.737 176.545 177.300 -0.030 0.000 1.240 295 P CA -0.288 62.793 63.100 -0.031 0.000 0.791 295 P CB 0.765 32.440 31.700 -0.042 0.000 0.978 296 Q N -0.865 118.913 119.800 -0.035 0.000 2.140 296 Q HA 0.201 4.540 4.340 -0.001 0.000 0.227 296 Q C -0.270 175.711 176.000 -0.032 0.000 0.798 296 Q CA -0.071 55.715 55.803 -0.028 0.000 0.987 296 Q CB 0.584 29.309 28.738 -0.023 0.000 1.161 296 Q HN 0.624 nan 8.270 nan 0.000 0.480 297 S N -1.365 114.310 115.700 -0.043 0.000 2.570 297 S HA 0.406 4.875 4.470 -0.001 0.000 0.270 297 S C -0.605 173.963 174.600 -0.055 0.000 1.149 297 S CA -1.074 57.100 58.200 -0.044 0.000 0.837 297 S CB 1.916 65.089 63.200 -0.045 0.000 1.124 297 S HN 0.082 nan 8.310 nan 0.000 0.465 298 E N 0.147 120.318 120.200 -0.048 0.000 2.585 298 E HA 0.524 4.873 4.350 -0.001 0.000 0.256 298 E C 0.385 176.942 176.600 -0.071 0.000 1.383 298 E CA 0.190 56.559 56.400 -0.052 0.000 1.029 298 E CB 0.012 29.690 29.700 -0.037 0.000 1.044 298 E HN 1.317 nan 8.360 nan 0.000 0.595 299 G N -1.123 107.634 108.800 -0.072 0.000 2.885 299 G HA2 0.092 4.051 3.960 -0.001 0.000 0.685 299 G HA3 0.092 4.051 3.960 -0.001 0.000 0.685 299 G C -0.299 174.522 174.900 -0.131 0.000 1.216 299 G CA -0.417 44.628 45.100 -0.092 0.000 0.790 299 G HN 0.544 nan 8.290 nan 0.000 0.631 300 A N 1.281 124.037 122.820 -0.106 0.000 2.543 300 A HA 0.567 4.887 4.320 -0.001 0.000 0.258 300 A C 1.675 179.117 177.584 -0.237 0.000 1.391 300 A CA 1.647 53.626 52.037 -0.098 0.000 1.066 300 A CB -0.634 18.364 19.000 -0.004 0.000 0.972 300 A HN 2.188 nan 8.150 nan 0.000 0.560 301 T N -4.988 109.282 114.554 -0.472 0.000 3.130 301 T HA 0.110 4.459 4.350 -0.001 0.000 0.288 301 T C -0.150 173.855 174.700 -1.159 0.000 0.936 301 T CA -0.297 61.311 62.100 -0.820 0.000 0.897 301 T CB -0.415 68.252 68.868 -0.334 0.000 1.178 301 T HN 0.281 nan 8.240 nan 0.000 0.543 302 N N 2.336 120.577 118.700 -0.764 0.000 2.719 302 N HA 0.507 5.246 4.740 -0.001 0.000 0.243 302 N C -1.053 174.192 175.510 -0.442 0.000 1.104 302 N CA -0.466 52.285 53.050 -0.499 0.000 0.981 302 N CB -0.178 38.166 38.487 -0.239 0.000 1.290 302 N HN 0.255 nan 8.380 nan 0.000 0.513 303 F N -0.014 119.926 119.950 -0.015 0.000 2.375 303 F HA 0.598 5.125 4.527 -0.001 0.000 0.313 303 F C 1.672 177.457 175.800 -0.025 0.000 1.176 303 F CA -0.952 57.037 58.000 -0.018 0.000 1.142 303 F CB 0.290 39.282 39.000 -0.014 0.000 1.275 303 F HN 0.236 nan 8.300 nan 0.000 0.544 304 G N -0.665 108.253 108.800 0.197 0.000 2.488 304 G HA2 0.461 4.421 3.960 -0.001 0.000 0.318 304 G HA3 0.461 4.421 3.960 -0.001 0.000 0.318 304 G C -1.925 173.008 174.900 0.056 0.000 1.188 304 G CA -0.331 44.812 45.100 0.071 0.000 0.944 304 G HN 0.531 nan 8.290 nan 0.000 0.495 305 D N -0.388 120.009 120.400 -0.004 0.000 2.787 305 D HA 0.331 4.970 4.640 -0.001 0.000 0.246 305 D C 1.336 177.596 176.300 -0.066 0.000 1.150 305 D CA -0.699 53.293 54.000 -0.014 0.000 0.864 305 D CB 1.877 42.681 40.800 0.006 0.000 1.481 305 D HN 0.100 nan 8.370 nan 0.000 0.509 306 I N 2.467 123.008 120.570 -0.049 0.000 2.118 306 I HA -0.051 4.118 4.170 -0.001 0.000 0.241 306 I C 1.737 177.816 176.117 -0.063 0.000 1.070 306 I CA 1.500 62.760 61.300 -0.067 0.000 1.327 306 I CB -0.312 37.681 38.000 -0.011 0.000 1.034 306 I HN 0.785 nan 8.210 nan 0.000 0.405 307 G N 0.667 109.455 108.800 -0.021 0.000 2.203 307 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.231 307 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.231 307 G C -0.275 174.635 174.900 0.018 0.000 1.058 307 G CA -0.033 45.063 45.100 -0.006 0.000 0.781 307 G HN 0.240 nan 8.290 nan 0.000 0.496 308 V N -0.377 119.556 119.914 0.031 0.000 2.851 308 V HA 0.376 4.495 4.120 -0.001 0.000 0.307 308 V C 0.380 176.507 176.094 0.055 0.000 1.129 308 V CA -1.138 61.189 62.300 0.045 0.000 0.932 308 V CB 1.974 33.830 31.823 0.056 0.000 1.024 308 V HN 0.423 nan 8.190 nan 0.000 0.426 309 Q N 2.292 122.125 119.800 0.055 0.000 2.263 309 Q HA 0.071 4.411 4.340 -0.001 0.000 0.289 309 Q C 0.988 177.044 176.000 0.094 0.000 1.061 309 Q CA 0.160 56.005 55.803 0.070 0.000 0.927 309 Q CB 0.797 29.570 28.738 0.057 0.000 1.154 309 Q HN 0.650 nan 8.270 nan 0.000 0.378 310 Q N 1.537 121.421 119.800 0.141 0.000 2.248 310 Q HA -0.206 4.134 4.340 -0.001 0.000 0.208 310 Q C 0.608 176.731 176.000 0.205 0.000 0.984 310 Q CA 1.465 57.393 55.803 0.210 0.000 0.875 310 Q CB 0.098 29.014 28.738 0.297 0.000 0.910 310 Q HN 0.681 nan 8.270 nan 0.000 0.433 311 D N -1.055 119.404 120.400 0.099 0.000 2.427 311 D HA 0.012 4.651 4.640 -0.001 0.000 0.224 311 D C 0.688 176.957 176.300 -0.052 0.000 1.157 311 D CA 0.054 53.990 54.000 -0.106 0.000 0.828 311 D CB 0.371 40.951 40.800 -0.366 0.000 0.974 311 D HN -0.013 nan 8.370 nan 0.000 0.498 312 K N 0.394 120.801 120.400 0.011 0.000 2.517 312 K HA 0.187 4.506 4.320 -0.001 0.000 0.210 312 K C 0.458 177.075 176.600 0.029 0.000 1.166 312 K CA -0.291 56.003 56.287 0.011 0.000 1.030 312 K CB 1.634 34.146 32.500 0.020 0.000 0.974 312 K HN 0.121 nan 8.250 nan 0.000 0.585 313 R N 1.198 121.724 120.500 0.044 0.000 2.615 313 R HA 0.285 4.624 4.340 -0.001 0.000 0.270 313 R C 0.163 176.489 176.300 0.045 0.000 1.081 313 R CA -0.259 55.874 56.100 0.054 0.000 1.154 313 R CB 0.693 31.036 30.300 0.072 0.000 1.063 313 R HN -0.086 nan 8.270 nan 0.000 0.519 314 R N 0.003 120.532 120.500 0.048 0.000 2.500 314 R HA 0.633 4.972 4.340 -0.001 0.000 0.277 314 R C 0.162 176.487 176.300 0.042 0.000 1.026 314 R CA -0.125 55.998 56.100 0.039 0.000 1.058 314 R CB 1.576 31.897 30.300 0.035 0.000 1.078 314 R HN 0.864 nan 8.270 nan 0.000 0.509 315 G N -0.283 108.537 108.800 0.033 0.000 2.340 315 G HA2 0.179 4.139 3.960 -0.001 0.000 0.282 315 G HA3 0.179 4.139 3.960 -0.001 0.000 0.282 315 G C -1.791 173.125 174.900 0.026 0.000 1.312 315 G CA -0.882 44.238 45.100 0.034 0.000 0.942 315 G HN 0.431 nan 8.290 nan 0.000 0.495 316 V N 0.581 120.509 119.914 0.025 0.000 2.709 316 V HA 0.883 5.003 4.120 -0.001 0.000 0.308 316 V C 0.359 176.459 176.094 0.010 0.000 1.062 316 V CA 0.122 62.431 62.300 0.015 0.000 0.901 316 V CB 1.445 33.275 31.823 0.011 0.000 1.003 316 V HN 1.678 nan 8.190 nan 0.000 0.425 317 T N 0.220 114.775 114.554 0.001 0.000 2.865 317 T HA 0.442 4.791 4.350 -0.001 0.000 0.294 317 T C 0.018 174.704 174.700 -0.024 0.000 1.119 317 T CA -0.582 61.511 62.100 -0.011 0.000 1.007 317 T CB 2.349 71.209 68.868 -0.014 0.000 1.225 317 T HN 0.515 nan 8.240 nan 0.000 0.515 318 Q N -0.292 119.485 119.800 -0.038 0.000 2.280 318 Q HA 0.317 4.656 4.340 -0.001 0.000 0.201 318 Q C -0.241 175.723 176.000 -0.060 0.000 0.890 318 Q CA -0.073 55.703 55.803 -0.044 0.000 0.947 318 Q CB 0.041 28.752 28.738 -0.045 0.000 1.081 318 Q HN 0.598 nan 8.270 nan 0.000 0.502 319 M N -0.238 119.318 119.600 -0.074 0.000 2.047 319 M HA 0.270 4.749 4.480 -0.001 0.000 0.342 319 M C 0.949 177.209 176.300 -0.067 0.000 1.058 319 M CA -0.308 54.929 55.300 -0.105 0.000 0.991 319 M CB 1.417 33.905 32.600 -0.186 0.000 1.474 319 M HN 0.113 nan 8.290 nan 0.000 0.419 320 G N 2.679 111.450 108.800 -0.048 0.000 2.443 320 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.219 320 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.219 320 G C 1.135 176.029 174.900 -0.011 0.000 1.131 320 G CA 0.529 45.615 45.100 -0.024 0.000 0.775 320 G HN 0.654 nan 8.290 nan 0.000 0.547 321 N N 0.425 119.120 118.700 -0.008 0.000 2.148 321 N HA -0.046 4.694 4.740 -0.001 0.000 0.186 321 N C 1.649 177.188 175.510 0.049 0.000 1.031 321 N CA 1.465 54.533 53.050 0.030 0.000 0.848 321 N CB -0.387 38.142 38.487 0.070 0.000 1.005 321 N HN 0.454 nan 8.380 nan 0.000 0.427 322 T N -1.101 113.486 114.554 0.055 0.000 2.867 322 T HA 0.293 4.642 4.350 -0.001 0.000 0.286 322 T C 0.556 175.261 174.700 0.008 0.000 1.022 322 T CA -0.490 61.667 62.100 0.094 0.000 0.933 322 T CB 0.902 69.931 68.868 0.268 0.000 1.280 322 T HN 0.038 nan 8.240 nan 0.000 0.566 323 N N -1.737 116.915 118.700 -0.079 0.000 2.170 323 N HA 0.227 4.967 4.740 -0.001 0.000 0.222 323 N C -1.096 174.340 175.510 -0.124 0.000 1.218 323 N CA -0.254 52.725 53.050 -0.119 0.000 0.889 323 N CB 0.312 38.697 38.487 -0.170 0.000 1.083 323 N HN 0.423 nan 8.380 nan 0.000 0.520 324 Y N 1.156 121.521 120.300 0.108 0.000 2.346 324 Y HA 0.310 4.859 4.550 -0.001 0.000 0.330 324 Y C 0.342 176.294 175.900 0.088 0.000 1.178 324 Y CA -0.124 58.049 58.100 0.122 0.000 1.331 324 Y CB 0.681 39.270 38.460 0.215 0.000 1.253 324 Y HN -0.067 nan 8.280 nan 0.000 0.529 325 I N 3.673 124.408 120.570 0.274 0.000 2.493 325 I HA 0.231 4.400 4.170 -0.001 0.000 0.279 325 I C -0.620 175.591 176.117 0.157 0.000 1.045 325 I CA -0.367 61.033 61.300 0.167 0.000 1.106 325 I CB 1.266 39.332 38.000 0.111 0.000 1.216 325 I HN 0.667 nan 8.210 nan 0.000 0.459 326 T N 0.492 115.131 114.554 0.142 0.000 2.906 326 T HA 0.337 4.687 4.350 -0.001 0.000 0.295 326 T C 0.869 175.624 174.700 0.091 0.000 1.075 326 T CA -0.680 61.489 62.100 0.114 0.000 1.005 326 T CB 2.358 71.296 68.868 0.117 0.000 1.136 326 T HN 0.352 nan 8.240 nan 0.000 0.498 327 E N 0.685 120.931 120.200 0.077 0.000 2.301 327 E HA -0.192 4.157 4.350 -0.001 0.000 0.202 327 E C 1.891 178.532 176.600 0.068 0.000 1.017 327 E CA 1.703 58.144 56.400 0.067 0.000 0.831 327 E CB -0.506 29.230 29.700 0.059 0.000 0.742 327 E HN 0.802 nan 8.360 nan 0.000 0.491 328 A N -0.338 122.534 122.820 0.087 0.000 2.169 328 A HA 0.067 4.386 4.320 -0.001 0.000 0.210 328 A C 2.145 179.768 177.584 0.065 0.000 1.168 328 A CA 0.715 52.803 52.037 0.085 0.000 0.813 328 A CB 0.189 19.270 19.000 0.135 0.000 0.861 328 A HN 0.143 nan 8.150 nan 0.000 0.481 329 T N -0.117 114.483 114.554 0.077 0.000 2.953 329 T HA 0.123 4.473 4.350 -0.001 0.000 0.247 329 T C 0.826 175.539 174.700 0.022 0.000 1.029 329 T CA 0.078 62.207 62.100 0.049 0.000 1.144 329 T CB -0.350 68.573 68.868 0.091 0.000 0.870 329 T HN 0.312 nan 8.240 nan 0.000 0.446 330 I N 2.393 122.987 120.570 0.040 0.000 3.115 330 I HA -0.090 4.079 4.170 -0.001 0.000 0.315 330 I C 0.401 176.522 176.117 0.006 0.000 1.211 330 I CA 0.015 61.333 61.300 0.029 0.000 1.453 330 I CB 0.153 38.177 38.000 0.040 0.000 1.307 330 I HN 0.258 nan 8.210 nan 0.000 0.568 331 M N 7.515 127.115 119.600 -0.000 0.000 2.233 331 M HA 0.311 4.791 4.480 -0.001 0.000 0.350 331 M C -0.596 175.688 176.300 -0.026 0.000 1.176 331 M CA -0.070 55.220 55.300 -0.017 0.000 1.150 331 M CB 0.183 32.773 32.600 -0.016 0.000 1.530 331 M HN 0.497 nan 8.290 nan 0.000 0.459 332 R N 4.351 124.822 120.500 -0.049 0.000 2.832 332 R HA 0.457 4.797 4.340 -0.001 0.000 0.271 332 R C -1.952 174.288 176.300 -0.101 0.000 0.996 332 R CA -1.772 54.278 56.100 -0.084 0.000 0.977 332 R CB 0.130 30.369 30.300 -0.103 0.000 1.168 332 R HN 0.519 nan 8.270 nan 0.000 0.482 333 P HA -0.014 nan 4.420 nan 0.000 0.218 333 P C -0.036 177.197 177.300 -0.113 0.000 1.149 333 P CA 1.207 64.232 63.100 -0.125 0.000 0.817 333 P CB 0.454 32.051 31.700 -0.172 0.000 0.785 334 A N -1.434 121.304 122.820 -0.137 0.000 4.928 334 A HA 0.556 4.875 4.320 -0.001 0.000 0.242 334 A C -1.549 175.977 177.584 -0.095 0.000 0.976 334 A CA -0.497 51.478 52.037 -0.103 0.000 0.612 334 A CB 0.359 19.302 19.000 -0.094 0.000 1.867 334 A HN 0.002 nan 8.150 nan 0.000 0.907 335 E N 0.113 120.267 120.200 -0.076 0.000 2.274 335 E HA 0.557 4.907 4.350 -0.001 0.000 0.269 335 E C -1.709 174.877 176.600 -0.023 0.000 0.891 335 E CA -0.586 55.783 56.400 -0.051 0.000 0.784 335 E CB 1.961 31.641 29.700 -0.032 0.000 1.225 335 E HN 0.516 nan 8.360 nan 0.000 0.412 336 V N 3.799 123.702 119.914 -0.019 0.000 2.583 336 V HA 0.581 4.700 4.120 -0.001 0.000 0.287 336 V C 0.942 177.075 176.094 0.064 0.000 1.051 336 V CA 0.868 63.177 62.300 0.015 0.000 1.010 336 V CB 0.578 32.402 31.823 0.002 0.000 0.988 336 V HN 1.011 nan 8.190 nan 0.000 0.478 337 G N 3.591 112.464 108.800 0.120 0.000 2.829 337 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.628 337 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.628 337 G C -1.130 173.944 174.900 0.290 0.000 1.412 337 G CA 0.187 45.401 45.100 0.189 0.000 0.864 337 G HN 2.061 nan 8.290 nan 0.000 0.544 338 Y N -2.811 117.508 120.300 0.033 0.000 2.725 338 Y HA 0.838 5.388 4.550 -0.001 0.000 0.333 338 Y C -0.225 175.672 175.900 -0.005 0.000 1.242 338 Y CA -1.012 57.105 58.100 0.028 0.000 1.059 338 Y CB 0.578 39.102 38.460 0.106 0.000 1.306 338 Y HN 1.137 nan 8.280 nan 0.000 0.454 339 S N 0.604 116.211 115.700 -0.154 0.000 2.513 339 S HA 0.989 5.458 4.470 -0.001 0.000 0.299 339 S C -0.880 173.599 174.600 -0.202 0.000 1.087 339 S CA -0.235 57.814 58.200 -0.251 0.000 1.012 339 S CB 1.551 64.718 63.200 -0.056 0.000 1.044 339 S HN 1.154 nan 8.310 nan 0.000 0.485 340 A N 2.631 125.328 122.820 -0.204 0.000 2.566 340 A HA 0.941 5.260 4.320 -0.001 0.000 0.292 340 A C -3.184 174.447 177.584 0.078 0.000 1.112 340 A CA -1.998 50.009 52.037 -0.051 0.000 0.707 340 A CB 0.655 19.609 19.000 -0.077 0.000 1.302 340 A HN 0.516 nan 8.150 nan 0.000 0.409 341 P HA 0.451 nan 4.420 nan 0.000 0.269 341 P C -1.301 176.146 177.300 0.244 0.000 1.215 341 P CA 0.651 63.860 63.100 0.181 0.000 0.780 341 P CB 0.012 31.765 31.700 0.090 0.000 0.898 342 Y N -1.445 118.822 120.300 -0.055 0.000 2.583 342 Y HA 0.437 4.986 4.550 -0.001 0.000 0.330 342 Y C -2.022 173.886 175.900 0.013 0.000 1.185 342 Y CA -1.552 56.488 58.100 -0.100 0.000 1.107 342 Y CB -0.070 38.217 38.460 -0.289 0.000 1.344 342 Y HN 0.165 nan 8.280 nan 0.000 0.463 343 Y N 2.261 122.565 120.300 0.006 0.000 2.436 343 Y HA 0.459 5.008 4.550 -0.001 0.000 0.343 343 Y C 0.755 176.763 175.900 0.179 0.000 1.008 343 Y CA 0.609 58.823 58.100 0.189 0.000 1.241 343 Y CB 1.243 39.874 38.460 0.285 0.000 1.153 343 Y HN 0.737 nan 8.280 nan 0.000 0.521 344 S N 4.736 120.542 115.700 0.176 0.000 2.508 344 S HA 0.626 5.096 4.470 -0.001 0.000 0.284 344 S C -1.126 173.413 174.600 -0.102 0.000 1.192 344 S CA -0.484 57.789 58.200 0.122 0.000 1.070 344 S CB 0.108 63.330 63.200 0.037 0.000 1.004 344 S HN 0.381 nan 8.310 nan 0.000 0.493 345 F N 2.711 122.633 119.950 -0.046 0.000 2.482 345 F HA 0.505 5.031 4.527 -0.001 0.000 0.331 345 F C 0.630 176.275 175.800 -0.258 0.000 1.115 345 F CA -0.779 57.132 58.000 -0.149 0.000 0.955 345 F CB 1.797 40.737 39.000 -0.100 0.000 1.136 345 F HN 0.581 nan 8.300 nan 0.000 0.452 346 E N 1.309 121.252 120.200 -0.428 0.000 2.264 346 E HA 0.897 5.247 4.350 -0.001 0.000 0.260 346 E C -1.179 175.055 176.600 -0.610 0.000 0.961 346 E CA -1.459 54.652 56.400 -0.481 0.000 0.834 346 E CB 2.368 31.776 29.700 -0.487 0.000 1.230 346 E HN 0.592 nan 8.360 nan 0.000 0.412 347 A N 0.760 123.425 122.820 -0.260 0.000 2.488 347 A HA 0.622 4.942 4.320 -0.001 0.000 0.298 347 A C -0.889 176.755 177.584 0.101 0.000 1.044 347 A CA -0.468 51.547 52.037 -0.037 0.000 0.693 347 A CB 2.065 21.078 19.000 0.021 0.000 1.272 347 A HN 0.385 nan 8.150 nan 0.000 0.402 348 S N -0.241 115.589 115.700 0.216 0.000 2.971 348 S HA 0.550 5.020 4.470 -0.001 0.000 0.320 348 S C 1.399 176.025 174.600 0.043 0.000 1.111 348 S CA 0.554 58.829 58.200 0.124 0.000 0.870 348 S CB 0.891 64.175 63.200 0.140 0.000 1.331 348 S HN 0.815 nan 8.310 nan 0.000 0.635 349 T N 1.803 116.334 114.554 -0.038 0.000 2.755 349 T HA -0.179 4.170 4.350 -0.001 0.000 0.266 349 T C 0.929 175.530 174.700 -0.164 0.000 1.041 349 T CA 1.945 63.972 62.100 -0.121 0.000 1.147 349 T CB -0.329 68.428 68.868 -0.186 0.000 0.847 349 T HN 0.526 nan 8.240 nan 0.000 0.478 350 Q N -0.335 119.370 119.800 -0.158 0.000 2.159 350 Q HA 0.482 4.822 4.340 -0.001 0.000 0.217 350 Q C 0.632 176.710 176.000 0.130 0.000 0.818 350 Q CA -0.184 55.481 55.803 -0.229 0.000 1.008 350 Q CB 1.473 29.779 28.738 -0.721 0.000 1.148 350 Q HN 0.467 nan 8.270 nan 0.000 0.491 351 G N 1.722 110.625 108.800 0.173 0.000 2.423 351 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.684 351 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.684 351 G C -3.219 171.867 174.900 0.310 0.000 1.309 351 G CA -1.209 44.044 45.100 0.254 0.000 0.950 351 G HN -0.057 nan 8.290 nan 0.000 0.587 352 P HA 0.813 nan 4.420 nan 0.000 0.278 352 P C -0.692 176.868 177.300 0.433 0.000 1.266 352 P CA -0.564 62.676 63.100 0.234 0.000 0.807 352 P CB 0.646 32.451 31.700 0.174 0.000 1.094 353 F N -3.503 116.591 119.950 0.241 0.000 2.725 353 F HA 0.464 4.991 4.527 -0.001 0.000 0.311 353 F C -0.863 174.879 175.800 -0.097 0.000 1.121 353 F CA -1.392 56.692 58.000 0.141 0.000 0.978 353 F CB 0.713 39.751 39.000 0.062 0.000 1.274 353 F HN 0.021 nan 8.300 nan 0.000 0.440 354 K N 2.042 122.320 120.400 -0.204 0.000 2.448 354 K HA 0.199 4.519 4.320 -0.001 0.000 0.278 354 K C -0.501 175.982 176.600 -0.194 0.000 1.009 354 K CA 0.298 56.170 56.287 -0.692 0.000 0.995 354 K CB 1.073 33.238 32.500 -0.558 0.000 0.917 354 K HN 0.898 nan 8.250 nan 0.000 0.481 355 T N 7.253 121.649 114.554 -0.264 0.000 2.794 355 T HA 0.246 4.595 4.350 -0.001 0.000 0.296 355 T C -2.227 172.458 174.700 -0.025 0.000 0.949 355 T CA -1.109 60.956 62.100 -0.058 0.000 1.101 355 T CB 1.055 69.873 68.868 -0.085 0.000 0.905 355 T HN 0.445 nan 8.240 nan 0.000 0.516 356 P HA 0.475 nan 4.420 nan 0.000 0.279 356 P C -0.753 176.555 177.300 0.013 0.000 1.252 356 P CA -0.683 62.425 63.100 0.014 0.000 0.811 356 P CB 0.802 32.517 31.700 0.026 0.000 1.035 357 I N 0.038 120.612 120.570 0.006 0.000 3.023 357 I HA 0.442 4.611 4.170 -0.001 0.000 0.312 357 I C 1.215 177.366 176.117 0.057 0.000 1.056 357 I CA -1.184 60.126 61.300 0.016 0.000 1.033 357 I CB 1.066 39.024 38.000 -0.071 0.000 1.233 357 I HN 0.439 nan 8.210 nan 0.000 0.462 358 A N 2.298 125.193 122.820 0.124 0.000 1.920 358 A HA 0.335 4.654 4.320 -0.001 0.000 0.209 358 A C 2.071 179.713 177.584 0.097 0.000 1.229 358 A CA 1.021 53.135 52.037 0.128 0.000 0.671 358 A CB -0.680 18.443 19.000 0.204 0.000 0.886 358 A HN 0.737 nan 8.150 nan 0.000 0.461 359 A N -0.741 122.123 122.820 0.074 0.000 1.845 359 A HA 0.364 4.684 4.320 -0.001 0.000 0.215 359 A C 2.022 179.619 177.584 0.021 0.000 1.195 359 A CA 2.269 54.331 52.037 0.040 0.000 0.616 359 A CB -1.304 17.686 19.000 -0.017 0.000 0.832 359 A HN 2.192 nan 8.150 nan 0.000 0.443 360 G N -1.888 106.893 108.800 -0.031 0.000 2.499 360 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.232 360 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.232 360 G C 0.408 175.281 174.900 -0.045 0.000 1.251 360 G CA 1.045 46.134 45.100 -0.019 0.000 0.917 360 G HN 0.936 nan 8.290 nan 0.000 0.580 361 R N -1.633 118.858 120.500 -0.015 0.000 4.948 361 R HA 0.547 4.886 4.340 -0.001 0.000 0.106 361 R C 1.309 177.613 176.300 0.007 0.000 1.250 361 R CA 1.636 57.727 56.100 -0.016 0.000 0.850 361 R CB -0.276 30.007 30.300 -0.028 0.000 1.132 361 R HN 2.905 nan 8.270 nan 0.000 0.391 362 G N -0.125 108.676 108.800 0.002 0.000 2.725 362 G HA2 0.272 4.232 3.960 -0.001 0.000 0.220 362 G HA3 0.272 4.232 3.960 -0.001 0.000 0.220 362 G C 0.371 175.264 174.900 -0.012 0.000 1.357 362 G CA -0.186 44.905 45.100 -0.015 0.000 0.866 362 G HN 1.484 nan 8.290 nan 0.000 0.548 363 G N -2.183 106.596 108.800 -0.034 0.000 2.545 363 G HA2 0.378 4.338 3.960 -0.001 0.000 0.216 363 G HA3 0.378 4.338 3.960 -0.001 0.000 0.216 363 G C 1.299 176.174 174.900 -0.041 0.000 1.314 363 G CA 1.817 46.896 45.100 -0.035 0.000 0.906 363 G HN 2.476 nan 8.290 nan 0.000 0.563 364 A N -0.750 122.040 122.820 -0.051 0.000 1.929 364 A HA 0.156 4.476 4.320 -0.001 0.000 0.216 364 A C 2.083 179.633 177.584 -0.057 0.000 1.176 364 A CA 2.260 54.265 52.037 -0.053 0.000 0.628 364 A CB -0.395 18.568 19.000 -0.062 0.000 0.816 364 A HN 1.338 nan 8.150 nan 0.000 0.444 365 Q N 0.764 120.510 119.800 -0.091 0.000 2.239 365 Q HA 0.041 4.380 4.340 -0.001 0.000 0.219 365 Q C 0.672 176.683 176.000 0.018 0.000 0.901 365 Q CA 1.010 56.760 55.803 -0.089 0.000 0.949 365 Q CB -0.626 27.920 28.738 -0.320 0.000 1.038 365 Q HN 0.670 nan 8.270 nan 0.000 0.458 366 T N -3.240 111.324 114.554 0.016 0.000 3.409 366 T HA 0.148 4.498 4.350 -0.001 0.000 0.188 366 T C -0.339 174.379 174.700 0.031 0.000 0.929 366 T CA 0.494 62.617 62.100 0.038 0.000 1.184 366 T CB 0.090 68.975 68.868 0.029 0.000 1.570 366 T HN 0.133 nan 8.240 nan 0.000 0.367 367 D N 1.553 121.963 120.400 0.017 0.000 2.809 367 D HA -0.124 4.515 4.640 -0.001 0.000 0.234 367 D C 0.527 176.848 176.300 0.035 0.000 1.111 367 D CA 1.248 55.260 54.000 0.020 0.000 0.726 367 D CB -1.747 39.064 40.800 0.018 0.000 1.089 367 D HN 0.931 nan 8.370 nan 0.000 0.436 368 E N -1.366 118.856 120.200 0.038 0.000 3.912 368 E HA -0.384 3.965 4.350 -0.001 0.000 0.335 368 E C 0.865 177.498 176.600 0.056 0.000 0.654 368 E CA 1.762 58.194 56.400 0.053 0.000 1.177 368 E CB -0.563 29.178 29.700 0.069 0.000 1.650 368 E HN 0.465 nan 8.360 nan 0.000 0.430 369 N N -0.514 118.218 118.700 0.052 0.000 2.432 369 N HA -0.022 4.717 4.740 -0.001 0.000 0.174 369 N C 1.250 176.796 175.510 0.060 0.000 1.037 369 N CA 0.749 53.832 53.050 0.055 0.000 0.892 369 N CB 0.039 38.555 38.487 0.049 0.000 1.049 369 N HN 0.227 nan 8.380 nan 0.000 0.442 370 Q N 1.117 120.954 119.800 0.061 0.000 2.378 370 Q HA 0.174 4.513 4.340 -0.001 0.000 0.205 370 Q C 0.388 176.424 176.000 0.060 0.000 0.954 370 Q CA -0.082 55.764 55.803 0.071 0.000 0.901 370 Q CB -0.405 28.389 28.738 0.093 0.000 0.981 370 Q HN 0.206 nan 8.270 nan 0.000 0.483 371 A N 1.420 124.273 122.820 0.055 0.000 2.589 371 A HA 0.163 4.482 4.320 -0.001 0.000 0.265 371 A C 0.515 178.134 177.584 0.058 0.000 0.973 371 A CA 1.007 53.075 52.037 0.053 0.000 0.902 371 A CB -0.226 18.811 19.000 0.062 0.000 0.846 371 A HN 0.380 nan 8.150 nan 0.000 0.489 372 A N 2.351 125.182 122.820 0.018 0.000 3.822 372 A HA 0.712 5.031 4.320 -0.001 0.000 0.181 372 A C -0.155 177.387 177.584 -0.071 0.000 0.902 372 A CA -0.003 52.015 52.037 -0.030 0.000 0.825 372 A CB 0.107 19.028 19.000 -0.132 0.000 1.447 372 A HN 0.743 nan 8.150 nan 0.000 0.732 373 D N -1.122 119.125 120.400 -0.254 0.000 2.350 373 D HA 0.442 5.081 4.640 -0.001 0.000 0.249 373 D C 1.036 177.230 176.300 -0.176 0.000 1.119 373 D CA 1.902 55.726 54.000 -0.293 0.000 0.886 373 D CB 0.823 41.316 40.800 -0.512 0.000 1.195 373 D HN 1.320 nan 8.370 nan 0.000 0.437 374 G N 3.486 112.233 108.800 -0.089 0.000 2.397 374 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.211 374 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.211 374 G C 0.235 175.147 174.900 0.020 0.000 1.077 374 G CA -0.128 44.946 45.100 -0.043 0.000 0.649 374 G HN 0.606 nan 8.290 nan 0.000 0.511 375 N N 3.402 122.119 118.700 0.028 0.000 2.513 375 N HA 0.522 5.262 4.740 -0.001 0.000 0.268 375 N C -2.437 173.120 175.510 0.079 0.000 1.180 375 N CA -0.420 52.679 53.050 0.082 0.000 0.948 375 N CB 1.360 39.894 38.487 0.078 0.000 1.083 375 N HN 0.324 nan 8.380 nan 0.000 0.455 376 P HA 0.379 nan 4.420 nan 0.000 0.287 376 P C -1.225 176.072 177.300 -0.005 0.000 1.279 376 P CA -0.653 62.463 63.100 0.027 0.000 0.867 376 P CB 1.300 33.045 31.700 0.075 0.000 1.127 377 R N 1.387 121.768 120.500 -0.198 0.000 2.538 377 R HA 0.479 4.818 4.340 -0.001 0.000 0.292 377 R C -1.318 174.715 176.300 -0.446 0.000 1.008 377 R CA -0.539 55.420 56.100 -0.235 0.000 0.896 377 R CB 0.910 31.135 30.300 -0.125 0.000 1.187 377 R HN 0.378 nan 8.270 nan 0.000 0.440 378 Y N 1.531 121.555 120.300 -0.459 0.000 2.387 378 Y HA 0.698 5.247 4.550 -0.001 0.000 0.336 378 Y C 0.134 175.962 175.900 -0.120 0.000 1.067 378 Y CA -0.509 57.400 58.100 -0.319 0.000 1.114 378 Y CB 2.429 40.596 38.460 -0.489 0.000 1.208 378 Y HN 0.669 nan 8.280 nan 0.000 0.458 379 A N 3.878 126.831 122.820 0.221 0.000 2.422 379 A HA 0.910 5.229 4.320 -0.001 0.000 0.302 379 A C -1.526 176.232 177.584 0.289 0.000 1.041 379 A CA -0.545 51.556 52.037 0.106 0.000 0.708 379 A CB 0.799 19.785 19.000 -0.024 0.000 1.257 379 A HN 0.682 nan 8.150 nan 0.000 0.414 380 F N -0.278 119.705 119.950 0.055 0.000 2.817 380 F HA 0.800 5.326 4.527 -0.001 0.000 0.317 380 F C 0.303 176.151 175.800 0.080 0.000 1.168 380 F CA -0.623 57.420 58.000 0.072 0.000 0.911 380 F CB 0.419 39.484 39.000 0.108 0.000 1.337 380 F HN 0.854 nan 8.300 nan 0.000 0.464 381 G N 0.026 109.029 108.800 0.338 0.000 2.532 381 G HA2 0.485 4.444 3.960 -0.001 0.000 0.291 381 G HA3 0.485 4.444 3.960 -0.001 0.000 0.291 381 G C 0.113 175.118 174.900 0.174 0.000 1.349 381 G CA -1.054 44.148 45.100 0.171 0.000 1.038 381 G HN 0.755 nan 8.290 nan 0.000 0.518 382 R N -0.880 119.647 120.500 0.045 0.000 2.096 382 R HA -0.065 4.274 4.340 -0.001 0.000 0.235 382 R C 2.493 178.764 176.300 -0.049 0.000 1.127 382 R CA 1.125 57.238 56.100 0.022 0.000 0.968 382 R CB -0.177 30.106 30.300 -0.028 0.000 0.861 382 R HN 0.521 nan 8.270 nan 0.000 0.440 383 Q N 0.022 119.667 119.800 -0.259 0.000 2.364 383 Q HA -0.139 4.200 4.340 -0.001 0.000 0.209 383 Q C 0.217 175.615 176.000 -1.003 0.000 0.977 383 Q CA 1.236 56.681 55.803 -0.595 0.000 0.885 383 Q CB 0.165 28.394 28.738 -0.848 0.000 0.941 383 Q HN 0.626 nan 8.270 nan 0.000 0.464 384 H N -2.803 116.084 119.070 -0.305 0.000 2.575 384 H HA 0.312 4.867 4.556 -0.001 0.000 0.256 384 H C 0.628 175.832 175.328 -0.206 0.000 1.162 384 H CA 0.260 55.883 56.048 -0.707 0.000 0.969 384 H CB 1.313 30.663 29.762 -0.686 0.000 1.796 384 H HN 0.271 nan 8.280 nan 0.000 0.607 385 G N 0.235 109.144 108.800 0.181 0.000 3.006 385 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.195 385 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.195 385 G C 0.246 175.421 174.900 0.459 0.000 1.034 385 G CA -0.329 44.964 45.100 0.322 0.000 0.807 385 G HN 0.398 nan 8.290 nan 0.000 0.469 386 Q N 1.596 121.699 119.800 0.505 0.000 2.386 386 Q HA 0.358 4.697 4.340 -0.001 0.000 0.282 386 Q C 0.537 176.647 176.000 0.185 0.000 1.050 386 Q CA 0.047 56.015 55.803 0.275 0.000 0.918 386 Q CB 0.422 29.232 28.738 0.119 0.000 1.266 386 Q HN 0.376 nan 8.270 nan 0.000 0.423 387 K N 1.760 122.236 120.400 0.127 0.000 2.472 387 K HA -0.055 4.265 4.320 -0.001 0.000 0.280 387 K C 0.847 177.473 176.600 0.044 0.000 1.028 387 K CA 0.718 57.059 56.287 0.090 0.000 1.045 387 K CB 0.521 33.061 32.500 0.067 0.000 0.902 387 K HN 0.833 nan 8.250 nan 0.000 0.478 388 T N -0.178 114.384 114.554 0.014 0.000 2.788 388 T HA -0.196 4.153 4.350 -0.001 0.000 0.268 388 T C 1.750 176.435 174.700 -0.025 0.000 1.044 388 T CA 1.814 63.892 62.100 -0.036 0.000 1.139 388 T CB -0.553 68.250 68.868 -0.108 0.000 0.867 388 T HN 0.773 nan 8.240 nan 0.000 0.454 389 T N -0.941 113.609 114.554 -0.008 0.000 3.043 389 T HA 0.090 4.439 4.350 -0.001 0.000 0.263 389 T C 1.095 175.792 174.700 -0.005 0.000 1.094 389 T CA 0.223 62.319 62.100 -0.007 0.000 1.127 389 T CB -0.884 67.985 68.868 0.002 0.000 0.905 389 T HN 0.293 nan 8.240 nan 0.000 0.490 390 T N 3.848 118.403 114.554 0.002 0.000 2.908 390 T HA 0.303 4.652 4.350 -0.001 0.000 0.301 390 T C 0.632 175.327 174.700 -0.008 0.000 1.019 390 T CA 0.318 62.418 62.100 -0.000 0.000 1.152 390 T CB 0.529 69.401 68.868 0.006 0.000 0.966 390 T HN 0.695 nan 8.240 nan 0.000 0.540 391 T N 0.701 115.248 114.554 -0.011 0.000 2.881 391 T HA 0.693 5.042 4.350 -0.001 0.000 0.278 391 T C 0.454 175.144 174.700 -0.016 0.000 0.982 391 T CA -0.240 61.851 62.100 -0.015 0.000 0.989 391 T CB 1.263 70.122 68.868 -0.014 0.000 1.058 391 T HN 1.128 nan 8.240 nan 0.000 0.529 392 G N 0.745 109.534 108.800 -0.019 0.000 3.307 392 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.686 392 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.686 392 G C -0.318 174.568 174.900 -0.023 0.000 0.983 392 G CA -0.685 44.403 45.100 -0.020 0.000 0.804 392 G HN 0.835 nan 8.290 nan 0.000 0.531 393 E N 1.162 121.348 120.200 -0.024 0.000 2.424 393 E HA 0.164 4.514 4.350 -0.001 0.000 0.237 393 E C 0.640 177.221 176.600 -0.031 0.000 1.381 393 E CA 0.249 56.633 56.400 -0.026 0.000 1.587 393 E CB 0.095 29.781 29.700 -0.023 0.000 1.398 393 E HN 0.450 nan 8.360 nan 0.000 0.439 394 T N 2.506 117.038 114.554 -0.036 0.000 2.829 394 T HA 0.295 4.644 4.350 -0.001 0.000 0.282 394 T C -2.231 172.427 174.700 -0.071 0.000 0.990 394 T CA -1.695 60.378 62.100 -0.046 0.000 1.028 394 T CB 1.338 70.182 68.868 -0.040 0.000 0.951 394 T HN 0.048 nan 8.240 nan 0.000 0.460 395 P HA 0.374 nan 4.420 nan 0.000 0.277 395 P C -0.396 176.759 177.300 -0.241 0.000 1.240 395 P CA -0.535 62.469 63.100 -0.160 0.000 0.798 395 P CB 0.654 32.269 31.700 -0.142 0.000 0.979 396 E N 2.058 121.986 120.200 -0.453 0.000 2.319 396 E HA 0.414 4.763 4.350 -0.001 0.000 0.268 396 E C -0.340 175.848 176.600 -0.687 0.000 1.050 396 E CA -0.284 55.808 56.400 -0.514 0.000 0.878 396 E CB 0.732 30.091 29.700 -0.568 0.000 1.066 396 E HN 0.286 nan 8.360 nan 0.000 0.406 397 R N 1.613 121.963 120.500 -0.249 0.000 2.781 397 R HA 0.649 4.988 4.340 -0.001 0.000 0.268 397 R C -1.227 175.217 176.300 0.241 0.000 1.047 397 R CA -0.832 55.222 56.100 -0.077 0.000 0.925 397 R CB 1.206 31.456 30.300 -0.083 0.000 1.246 397 R HN 0.600 nan 8.270 nan 0.000 0.456 398 F N -2.655 117.360 119.950 0.107 0.000 2.799 398 F HA 0.464 4.990 4.527 -0.001 0.000 0.316 398 F C -1.761 174.044 175.800 0.009 0.000 1.155 398 F CA -0.805 57.199 58.000 0.005 0.000 0.916 398 F CB 1.625 40.507 39.000 -0.197 0.000 1.294 398 F HN 0.236 nan 8.300 nan 0.000 0.447 399 T N 2.179 116.844 114.554 0.186 0.000 2.815 399 T HA 0.292 4.641 4.350 -0.001 0.000 0.289 399 T C -1.564 173.295 174.700 0.265 0.000 1.000 399 T CA -0.337 61.846 62.100 0.138 0.000 0.958 399 T CB 0.487 69.410 68.868 0.093 0.000 0.944 399 T HN 0.661 nan 8.240 nan 0.000 0.442 400 Y N 4.265 124.709 120.300 0.240 0.000 2.377 400 Y HA 0.470 5.019 4.550 -0.001 0.000 0.330 400 Y C -0.257 175.748 175.900 0.175 0.000 1.108 400 Y CA -0.470 57.792 58.100 0.269 0.000 1.308 400 Y CB 0.281 38.965 38.460 0.374 0.000 1.216 400 Y HN 0.550 nan 8.280 nan 0.000 0.518 401 I N 7.099 127.512 120.570 -0.262 0.000 2.437 401 I HA 0.378 4.548 4.170 -0.001 0.000 0.279 401 I C 0.059 175.947 176.117 -0.382 0.000 1.028 401 I CA -0.745 60.440 61.300 -0.192 0.000 1.142 401 I CB 0.838 38.752 38.000 -0.143 0.000 1.266 401 I HN 0.768 nan 8.210 nan 0.000 0.461 402 A N 3.954 126.725 122.820 -0.081 0.000 2.507 402 A HA 0.061 4.381 4.320 -0.001 0.000 0.235 402 A C 0.695 178.227 177.584 -0.086 0.000 1.070 402 A CA 0.453 52.520 52.037 0.050 0.000 0.768 402 A CB 0.014 19.169 19.000 0.258 0.000 1.011 402 A HN 0.801 nan 8.150 nan 0.000 0.502 403 H N -0.286 118.755 119.070 -0.049 0.000 2.482 403 H HA 0.027 4.582 4.556 -0.001 0.000 0.286 403 H C 0.918 176.117 175.328 -0.214 0.000 1.017 403 H CA 1.261 57.175 56.048 -0.224 0.000 1.322 403 H CB 0.095 29.578 29.762 -0.464 0.000 1.426 403 H HN 0.791 nan 8.280 nan 0.000 0.546 404 Q N 1.722 121.587 119.800 0.109 0.000 2.262 404 Q HA 0.002 4.342 4.340 -0.001 0.000 0.272 404 Q C -0.899 175.180 176.000 0.132 0.000 1.076 404 Q CA -0.178 55.729 55.803 0.173 0.000 0.905 404 Q CB 0.607 29.474 28.738 0.215 0.000 1.182 404 Q HN 0.172 nan 8.270 nan 0.000 0.390 405 D N 4.464 124.962 120.400 0.163 0.000 2.600 405 D HA 0.004 4.643 4.640 -0.001 0.000 0.226 405 D C 0.507 176.880 176.300 0.122 0.000 1.119 405 D CA 0.310 54.392 54.000 0.137 0.000 1.051 405 D CB 0.385 41.295 40.800 0.184 0.000 1.106 405 D HN 0.786 nan 8.370 nan 0.000 0.491 406 T N -3.017 111.595 114.554 0.097 0.000 3.043 406 T HA 0.292 4.641 4.350 -0.001 0.000 0.272 406 T C 0.994 175.727 174.700 0.056 0.000 0.990 406 T CA -0.473 61.678 62.100 0.085 0.000 0.897 406 T CB 0.714 69.642 68.868 0.099 0.000 1.111 406 T HN 0.139 nan 8.240 nan 0.000 0.529 407 G N 1.271 110.092 108.800 0.034 0.000 2.543 407 G HA2 0.640 4.600 3.960 -0.001 0.000 0.290 407 G HA3 0.640 4.600 3.960 -0.001 0.000 0.290 407 G C -0.649 174.243 174.900 -0.012 0.000 1.310 407 G CA -0.819 44.272 45.100 -0.016 0.000 1.025 407 G HN 0.223 nan 8.290 nan 0.000 0.502 408 R N -1.703 118.765 120.500 -0.053 0.000 2.832 408 R HA 0.353 4.692 4.340 -0.001 0.000 0.271 408 R C -1.693 174.629 176.300 0.036 0.000 0.996 408 R CA -1.157 54.933 56.100 -0.016 0.000 0.977 408 R CB 1.325 31.578 30.300 -0.077 0.000 1.168 408 R HN 0.535 nan 8.270 nan 0.000 0.482 409 Y N 3.852 124.121 120.300 -0.050 0.000 2.842 409 Y HA 0.297 4.846 4.550 -0.001 0.000 0.334 409 Y C -1.665 174.225 175.900 -0.017 0.000 1.019 409 Y CA -2.625 55.454 58.100 -0.036 0.000 1.258 409 Y CB 0.953 39.414 38.460 0.001 0.000 1.106 409 Y HN 0.420 nan 8.280 nan 0.000 0.545 410 P HA -0.244 nan 4.420 nan 0.000 0.216 410 P C 1.007 178.156 177.300 -0.252 0.000 1.154 410 P CA 1.703 64.667 63.100 -0.227 0.000 0.865 410 P CB 0.583 32.157 31.700 -0.209 0.000 0.789 411 E N -0.521 119.344 120.200 -0.559 0.000 2.219 411 E HA -0.120 4.229 4.350 -0.001 0.000 0.198 411 E C 2.231 178.809 176.600 -0.035 0.000 0.998 411 E CA 1.637 57.821 56.400 -0.360 0.000 0.818 411 E CB -1.344 28.013 29.700 -0.571 0.000 0.741 411 E HN 0.376 nan 8.360 nan 0.000 0.477 412 G N 0.172 109.030 108.800 0.095 0.000 2.712 412 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.212 412 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.212 412 G C 0.255 175.364 174.900 0.349 0.000 1.142 412 G CA -0.084 45.226 45.100 0.351 0.000 0.789 412 G HN 0.112 nan 8.290 nan 0.000 0.535 413 D N -0.232 120.301 120.400 0.222 0.000 2.371 413 D HA 0.444 5.084 4.640 -0.001 0.000 0.242 413 D C 0.007 176.586 176.300 0.466 0.000 1.218 413 D CA 0.200 54.337 54.000 0.229 0.000 0.945 413 D CB 0.999 41.851 40.800 0.086 0.000 1.137 413 D HN 0.484 nan 8.370 nan 0.000 0.464 414 W N -0.976 120.442 121.300 0.196 0.000 2.986 414 W HA 0.554 5.213 4.660 -0.001 0.000 0.345 414 W C -2.412 174.131 176.519 0.039 0.000 1.191 414 W CA -0.749 56.681 57.345 0.142 0.000 1.170 414 W CB 0.422 29.927 29.460 0.074 0.000 1.438 414 W HN 0.148 nan 8.180 nan 0.000 0.567 415 I N 2.638 123.328 120.570 0.200 0.000 2.686 415 I HA 0.400 4.569 4.170 -0.001 0.000 0.295 415 I C -0.641 175.592 176.117 0.195 0.000 1.114 415 I CA -1.201 60.093 61.300 -0.011 0.000 1.038 415 I CB 2.325 40.149 38.000 -0.293 0.000 1.238 415 I HN 0.721 nan 8.210 nan 0.000 0.420 416 Q N 3.728 123.645 119.800 0.194 0.000 2.544 416 Q HA 0.433 4.772 4.340 -0.001 0.000 0.291 416 Q C -0.939 175.155 176.000 0.158 0.000 1.068 416 Q CA -0.996 54.937 55.803 0.216 0.000 0.785 416 Q CB 1.951 30.885 28.738 0.327 0.000 1.481 416 Q HN 0.535 nan 8.270 nan 0.000 0.430 417 N N 0.548 119.327 118.700 0.131 0.000 2.454 417 N HA -0.050 4.690 4.740 -0.001 0.000 0.254 417 N C 0.518 176.125 175.510 0.161 0.000 1.228 417 N CA 0.031 53.146 53.050 0.108 0.000 0.900 417 N CB 0.902 39.434 38.487 0.075 0.000 1.089 417 N HN 0.825 nan 8.380 nan 0.000 0.449 418 I N 3.588 124.228 120.570 0.117 0.000 2.315 418 I HA -0.279 3.891 4.170 -0.001 0.000 0.251 418 I C 1.653 177.868 176.117 0.163 0.000 1.125 418 I CA 1.341 62.711 61.300 0.117 0.000 1.392 418 I CB -0.337 37.704 38.000 0.068 0.000 1.065 418 I HN 0.556 nan 8.210 nan 0.000 0.424 419 N N 0.528 119.318 118.700 0.149 0.000 2.364 419 N HA -0.225 4.514 4.740 -0.001 0.000 0.183 419 N C 0.758 176.425 175.510 0.262 0.000 1.022 419 N CA 0.913 54.057 53.050 0.156 0.000 0.883 419 N CB -0.340 38.206 38.487 0.098 0.000 0.965 419 N HN 0.411 nan 8.380 nan 0.000 0.438 420 F N 1.158 121.147 119.950 0.064 0.000 2.943 420 F HA -0.270 4.256 4.527 -0.001 0.000 0.258 420 F C -0.608 175.245 175.800 0.089 0.000 0.995 420 F CA -0.062 57.989 58.000 0.085 0.000 0.896 420 F CB -1.568 37.494 39.000 0.103 0.000 0.821 420 F HN -0.023 nan 8.300 nan 0.000 0.828 421 N N 3.065 121.748 118.700 -0.029 0.000 2.425 421 N HA 0.710 5.449 4.740 -0.001 0.000 0.268 421 N C -0.123 175.284 175.510 -0.171 0.000 0.991 421 N CA -0.057 52.958 53.050 -0.058 0.000 0.931 421 N CB 1.506 39.992 38.487 -0.002 0.000 1.130 421 N HN 0.564 nan 8.380 nan 0.000 0.493 422 L N -0.260 120.839 121.223 -0.206 0.000 2.397 422 L HA 0.789 5.129 4.340 -0.001 0.000 0.251 422 L C -2.170 174.605 176.870 -0.159 0.000 1.064 422 L CA -1.719 52.973 54.840 -0.246 0.000 0.859 422 L CB 0.206 41.999 42.059 -0.444 0.000 1.468 422 L HN 0.203 nan 8.230 nan 0.000 0.411 423 P HA 0.079 nan 4.420 nan 0.000 0.266 423 P C -0.393 176.806 177.300 -0.169 0.000 1.186 423 P CA -0.134 62.855 63.100 -0.185 0.000 0.767 423 P CB 0.865 32.481 31.700 -0.139 0.000 0.820 424 V N 2.053 121.852 119.914 -0.192 0.000 2.732 424 V HA 0.189 4.309 4.120 -0.001 0.000 0.297 424 V C 0.280 176.307 176.094 -0.112 0.000 1.060 424 V CA -0.125 62.083 62.300 -0.154 0.000 1.038 424 V CB 1.206 32.932 31.823 -0.162 0.000 1.003 424 V HN 0.781 nan 8.190 nan 0.000 0.481 425 T N 5.166 119.672 114.554 -0.079 0.000 2.904 425 T HA 0.116 4.465 4.350 -0.001 0.000 0.290 425 T C 1.174 175.842 174.700 -0.054 0.000 1.018 425 T CA 0.251 62.316 62.100 -0.058 0.000 1.075 425 T CB 0.887 69.732 68.868 -0.039 0.000 0.986 425 T HN 0.898 nan 8.240 nan 0.000 0.523 426 N N 1.841 120.513 118.700 -0.048 0.000 2.149 426 N HA -0.147 4.592 4.740 -0.001 0.000 0.188 426 N C 1.102 176.594 175.510 -0.030 0.000 1.019 426 N CA 1.645 54.670 53.050 -0.042 0.000 0.857 426 N CB -0.208 38.258 38.487 -0.035 0.000 0.997 426 N HN 0.490 nan 8.380 nan 0.000 0.426 427 D N -0.460 119.925 120.400 -0.024 0.000 2.263 427 D HA -0.084 4.556 4.640 -0.001 0.000 0.208 427 D C 0.438 176.731 176.300 -0.012 0.000 0.971 427 D CA 0.918 54.909 54.000 -0.016 0.000 0.867 427 D CB -0.511 40.282 40.800 -0.012 0.000 0.929 427 D HN 0.545 nan 8.370 nan 0.000 0.492 428 N N -0.362 118.332 118.700 -0.011 0.000 2.279 428 N HA 0.170 4.909 4.740 -0.001 0.000 0.226 428 N C -0.651 174.866 175.510 0.012 0.000 1.126 428 N CA -0.156 52.896 53.050 0.004 0.000 0.846 428 N CB 1.632 40.125 38.487 0.010 0.000 1.050 428 N HN -0.114 nan 8.380 nan 0.000 0.502 429 V N 0.779 120.689 119.914 -0.006 0.000 2.969 429 V HA 0.436 4.555 4.120 -0.001 0.000 0.304 429 V C -1.939 174.140 176.094 -0.024 0.000 1.192 429 V CA -0.962 61.343 62.300 0.008 0.000 0.962 429 V CB 2.166 33.987 31.823 -0.003 0.000 1.045 429 V HN -0.089 nan 8.190 nan 0.000 0.428 430 L N 6.673 127.865 121.223 -0.052 0.000 2.307 430 L HA 0.715 5.055 4.340 -0.001 0.000 0.284 430 L C -0.743 176.093 176.870 -0.057 0.000 1.023 430 L CA 0.009 54.773 54.840 -0.127 0.000 0.810 430 L CB 1.322 43.178 42.059 -0.339 0.000 1.231 430 L HN 0.666 nan 8.230 nan 0.000 0.423 431 L N 5.555 126.799 121.223 0.035 0.000 2.286 431 L HA 0.587 4.926 4.340 -0.001 0.000 0.265 431 L C -1.629 175.386 176.870 0.242 0.000 1.012 431 L CA -1.823 53.107 54.840 0.151 0.000 0.818 431 L CB 1.349 43.453 42.059 0.076 0.000 1.337 431 L HN 0.366 nan 8.230 nan 0.000 0.438 432 P HA 0.001 nan 4.420 nan 0.000 0.237 432 P C 1.072 178.416 177.300 0.073 0.000 1.178 432 P CA 0.732 63.911 63.100 0.133 0.000 0.766 432 P CB 0.270 32.002 31.700 0.053 0.000 0.876 433 T N -1.218 113.380 114.554 0.073 0.000 3.010 433 T HA 0.033 4.383 4.350 -0.001 0.000 0.252 433 T C 0.542 175.262 174.700 0.034 0.000 1.047 433 T CA 0.459 62.582 62.100 0.039 0.000 1.140 433 T CB -0.341 68.542 68.868 0.026 0.000 0.885 433 T HN 0.103 nan 8.240 nan 0.000 0.464 434 D N 2.918 123.345 120.400 0.045 0.000 2.345 434 D HA 0.241 4.881 4.640 -0.001 0.000 0.247 434 D C -2.553 173.769 176.300 0.037 0.000 1.108 434 D CA -1.575 52.442 54.000 0.029 0.000 0.894 434 D CB 0.918 41.728 40.800 0.017 0.000 1.203 434 D HN 0.157 nan 8.370 nan 0.000 0.430 435 P HA 0.309 nan 4.420 nan 0.000 0.294 435 P C -0.409 176.901 177.300 0.017 0.000 1.294 435 P CA -0.677 62.432 63.100 0.015 0.000 0.827 435 P CB 1.119 32.821 31.700 0.003 0.000 0.992 436 I N 1.574 122.156 120.570 0.020 0.000 2.577 436 I HA 0.335 4.504 4.170 -0.001 0.000 0.305 436 I C 1.668 177.794 176.117 0.014 0.000 0.986 436 I CA -0.430 60.884 61.300 0.024 0.000 1.189 436 I CB -0.006 38.017 38.000 0.038 0.000 1.355 436 I HN 0.731 nan 8.210 nan 0.000 0.476 437 G N 4.050 112.860 108.800 0.016 0.000 2.269 437 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.277 437 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.277 437 G C 1.118 176.022 174.900 0.008 0.000 1.008 437 G CA 1.067 46.176 45.100 0.014 0.000 0.774 437 G HN 1.696 nan 8.290 nan 0.000 0.511 438 G N -1.631 107.172 108.800 0.005 0.000 2.175 438 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.265 438 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.265 438 G C 0.473 175.368 174.900 -0.008 0.000 0.979 438 G CA 1.131 46.231 45.100 -0.000 0.000 0.663 438 G HN 0.891 nan 8.290 nan 0.000 0.533 439 K N 0.581 120.975 120.400 -0.009 0.000 2.201 439 K HA 0.439 4.759 4.320 -0.001 0.000 0.278 439 K C 1.477 178.063 176.600 -0.022 0.000 1.027 439 K CA 0.064 56.337 56.287 -0.023 0.000 0.909 439 K CB 1.231 33.715 32.500 -0.027 0.000 1.062 439 K HN 0.095 nan 8.250 nan 0.000 0.465 440 T N 1.608 116.145 114.554 -0.028 0.000 2.652 440 T HA -0.137 4.213 4.350 -0.001 0.000 0.267 440 T C 1.412 176.100 174.700 -0.020 0.000 1.039 440 T CA 1.965 64.052 62.100 -0.021 0.000 1.153 440 T CB -0.134 68.719 68.868 -0.025 0.000 0.863 440 T HN 0.822 nan 8.240 nan 0.000 0.428 441 G N 1.367 110.151 108.800 -0.028 0.000 3.414 441 G HA2 0.398 4.357 3.960 -0.001 0.000 0.258 441 G HA3 0.398 4.357 3.960 -0.001 0.000 0.258 441 G C -0.085 174.794 174.900 -0.035 0.000 1.348 441 G CA -0.127 44.958 45.100 -0.026 0.000 1.319 441 G HN 0.316 nan 8.290 nan 0.000 0.555 442 I N 0.228 120.777 120.570 -0.034 0.000 2.994 442 I HA 0.483 4.653 4.170 -0.001 0.000 0.306 442 I C -1.145 174.956 176.117 -0.027 0.000 1.195 442 I CA -1.049 60.221 61.300 -0.050 0.000 1.001 442 I CB 2.234 40.211 38.000 -0.039 0.000 1.244 442 I HN 0.270 nan 8.210 nan 0.000 0.437 443 N N 1.327 120.003 118.700 -0.040 0.000 3.020 443 N HA 0.149 4.888 4.740 -0.001 0.000 0.248 443 N C 0.222 175.747 175.510 0.024 0.000 1.480 443 N CA -0.792 52.274 53.050 0.027 0.000 0.874 443 N CB 0.457 38.972 38.487 0.046 0.000 1.433 443 N HN 0.538 nan 8.380 nan 0.000 0.530 444 Y N -0.788 119.469 120.300 -0.073 0.000 2.207 444 Y HA -0.143 4.406 4.550 -0.001 0.000 0.287 444 Y C 2.124 177.990 175.900 -0.057 0.000 1.156 444 Y CA 2.187 60.234 58.100 -0.088 0.000 1.182 444 Y CB -1.668 36.690 38.460 -0.169 0.000 0.979 444 Y HN 0.685 nan 8.280 nan 0.000 0.521 445 T N -1.288 112.733 114.554 -0.889 0.000 2.946 445 T HA -0.205 4.144 4.350 -0.001 0.000 0.271 445 T C 1.417 176.066 174.700 -0.085 0.000 1.104 445 T CA 1.561 63.349 62.100 -0.519 0.000 1.114 445 T CB -0.697 67.946 68.868 -0.375 0.000 0.867 445 T HN 0.551 nan 8.240 nan 0.000 0.513 446 N N 1.473 120.029 118.700 -0.239 0.000 2.457 446 N HA 0.117 4.856 4.740 -0.001 0.000 0.180 446 N C 1.598 177.034 175.510 -0.123 0.000 1.050 446 N CA 1.240 54.029 53.050 -0.435 0.000 0.906 446 N CB 0.021 38.211 38.487 -0.495 0.000 0.968 446 N HN 0.798 nan 8.380 nan 0.000 0.445 447 I N -4.263 116.327 120.570 0.033 0.000 4.050 447 I HA 0.309 4.478 4.170 -0.001 0.000 0.327 447 I C -0.035 176.225 176.117 0.238 0.000 1.473 447 I CA -0.547 60.817 61.300 0.108 0.000 1.124 447 I CB -0.089 37.971 38.000 0.100 0.000 1.129 447 I HN -0.323 nan 8.210 nan 0.000 0.428 448 F N 3.583 123.555 119.950 0.036 0.000 2.490 448 F HA 0.460 4.986 4.527 -0.001 0.000 0.336 448 F C 0.205 176.053 175.800 0.081 0.000 1.178 448 F CA -0.413 57.631 58.000 0.073 0.000 1.301 448 F CB 0.615 39.610 39.000 -0.008 0.000 1.175 448 F HN 0.204 nan 8.300 nan 0.000 0.593 449 N N 0.746 119.139 118.700 -0.511 0.000 2.493 449 N HA 0.181 4.920 4.740 -0.001 0.000 0.279 449 N C -0.730 174.472 175.510 -0.514 0.000 1.082 449 N CA -0.074 52.764 53.050 -0.353 0.000 0.963 449 N CB 1.401 39.850 38.487 -0.063 0.000 1.627 449 N HN 0.571 nan 8.380 nan 0.000 0.499 450 T N -0.477 113.902 114.554 -0.293 0.000 3.145 450 T HA 0.139 4.489 4.350 -0.001 0.000 0.281 450 T C 0.446 175.176 174.700 0.051 0.000 1.003 450 T CA -0.192 61.791 62.100 -0.196 0.000 0.901 450 T CB -0.533 68.222 68.868 -0.187 0.000 1.112 450 T HN 0.420 nan 8.240 nan 0.000 0.535 451 Y N 2.522 122.825 120.300 0.006 0.000 2.578 451 Y HA 0.460 5.010 4.550 -0.001 0.000 0.339 451 Y C 0.672 176.518 175.900 -0.089 0.000 1.231 451 Y CA 0.897 58.954 58.100 -0.072 0.000 1.461 451 Y CB 0.087 38.438 38.460 -0.181 0.000 1.323 451 Y HN 0.474 nan 8.280 nan 0.000 0.590 452 G N 4.157 112.547 108.800 -0.684 0.000 2.356 452 G HA2 0.220 4.180 3.960 -0.001 0.000 0.294 452 G HA3 0.220 4.180 3.960 -0.001 0.000 0.294 452 G C -2.680 171.896 174.900 -0.539 0.000 1.423 452 G CA -0.757 44.042 45.100 -0.502 0.000 0.806 452 G HN 0.287 nan 8.290 nan 0.000 0.527 453 P HA -0.013 nan 4.420 nan 0.000 0.224 453 P C 1.403 178.580 177.300 -0.206 0.000 1.142 453 P CA 0.810 63.757 63.100 -0.255 0.000 0.778 453 P CB 0.190 31.797 31.700 -0.156 0.000 0.764 454 L N -2.302 118.803 121.223 -0.197 0.000 2.640 454 L HA 0.127 4.467 4.340 -0.001 0.000 0.230 454 L C 0.766 177.558 176.870 -0.131 0.000 1.123 454 L CA 0.124 54.882 54.840 -0.137 0.000 0.900 454 L CB -0.666 41.332 42.059 -0.103 0.000 1.146 454 L HN -0.133 nan 8.230 nan 0.000 0.484 455 T N 1.415 115.854 114.554 -0.192 0.000 2.932 455 T HA 0.419 4.769 4.350 -0.001 0.000 0.312 455 T C 0.176 174.839 174.700 -0.062 0.000 1.071 455 T CA -0.000 62.031 62.100 -0.115 0.000 1.128 455 T CB 1.386 70.143 68.868 -0.184 0.000 0.984 455 T HN 0.332 nan 8.240 nan 0.000 0.549 456 A N 2.579 125.399 122.820 0.001 0.000 2.515 456 A HA 0.889 5.208 4.320 -0.001 0.000 0.298 456 A C -0.866 176.752 177.584 0.056 0.000 1.059 456 A CA -0.909 51.136 52.037 0.015 0.000 0.698 456 A CB 1.119 20.115 19.000 -0.007 0.000 1.289 456 A HN 0.999 nan 8.150 nan 0.000 0.404 457 L N -1.274 119.986 121.223 0.062 0.000 3.133 457 L HA 0.714 5.053 4.340 -0.001 0.000 0.289 457 L C -1.690 175.224 176.870 0.074 0.000 1.012 457 L CA -1.247 53.644 54.840 0.086 0.000 1.001 457 L CB 1.242 43.381 42.059 0.134 0.000 1.580 457 L HN 0.517 nan 8.230 nan 0.000 0.373 458 N N 0.502 119.254 118.700 0.086 0.000 2.453 458 N HA 0.447 5.187 4.740 -0.001 0.000 0.290 458 N C -1.256 174.301 175.510 0.078 0.000 1.250 458 N CA -0.657 52.438 53.050 0.075 0.000 0.815 458 N CB 0.928 39.463 38.487 0.080 0.000 1.381 458 N HN 0.668 nan 8.380 nan 0.000 0.510 459 N N 0.037 118.774 118.700 0.062 0.000 2.483 459 N HA 0.172 4.911 4.740 -0.001 0.000 0.269 459 N C -0.155 175.397 175.510 0.070 0.000 1.209 459 N CA -0.406 52.679 53.050 0.058 0.000 0.969 459 N CB 0.728 39.231 38.487 0.026 0.000 1.173 459 N HN 0.350 nan 8.380 nan 0.000 0.475 460 V N 0.054 120.014 119.914 0.077 0.000 3.432 460 V HA 0.498 4.617 4.120 -0.001 0.000 0.304 460 V C -2.241 173.894 176.094 0.068 0.000 1.107 460 V CA -0.908 61.448 62.300 0.094 0.000 1.153 460 V CB 0.162 32.046 31.823 0.102 0.000 1.072 460 V HN 0.670 nan 8.190 nan 0.000 0.485 461 P HA 0.585 nan 4.420 nan 0.000 0.289 461 P C -3.003 174.288 177.300 -0.016 0.000 1.302 461 P CA -2.485 60.644 63.100 0.048 0.000 0.923 461 P CB 1.076 32.859 31.700 0.137 0.000 1.238 462 P HA 0.169 nan 4.420 nan 0.000 0.272 462 P C -0.761 176.370 177.300 -0.283 0.000 1.230 462 P CA -0.006 63.046 63.100 -0.079 0.000 0.788 462 P CB 0.397 31.937 31.700 -0.266 0.000 0.949 463 V N 2.371 122.091 119.914 -0.322 0.000 2.419 463 V HA 0.200 4.320 4.120 -0.001 0.000 0.287 463 V C -0.817 175.040 176.094 -0.394 0.000 1.017 463 V CA -0.597 61.432 62.300 -0.452 0.000 0.844 463 V CB 0.698 32.238 31.823 -0.471 0.000 1.011 463 V HN 0.439 nan 8.190 nan 0.000 0.429 464 Y N 9.050 128.952 120.300 -0.664 0.000 2.308 464 Y HA 0.598 5.148 4.550 -0.001 0.000 0.329 464 Y C -1.849 173.787 175.900 -0.440 0.000 1.111 464 Y CA -1.978 55.625 58.100 -0.830 0.000 1.179 464 Y CB 2.478 39.954 38.460 -1.640 0.000 1.201 464 Y HN 0.430 nan 8.280 nan 0.000 0.483 465 P HA 0.157 nan 4.420 nan 0.000 0.282 465 P C -0.491 176.512 177.300 -0.495 0.000 1.373 465 P CA 0.417 62.765 63.100 -1.254 0.000 1.001 465 P CB 0.602 31.315 31.700 -1.646 0.000 1.489 466 N N 0.185 118.676 118.700 -0.348 0.000 2.336 466 N HA 0.048 4.787 4.740 -0.001 0.000 0.189 466 N C 1.084 176.496 175.510 -0.164 0.000 1.113 466 N CA 0.113 53.028 53.050 -0.225 0.000 0.858 466 N CB 0.632 38.920 38.487 -0.331 0.000 0.970 466 N HN 0.126 nan 8.380 nan 0.000 0.471 467 G N 0.740 109.516 108.800 -0.040 0.000 2.503 467 G HA2 0.069 4.028 3.960 -0.001 0.000 0.257 467 G HA3 0.069 4.028 3.960 -0.001 0.000 0.257 467 G C -0.128 174.874 174.900 0.170 0.000 1.214 467 G CA -0.240 44.972 45.100 0.187 0.000 0.839 467 G HN 0.119 nan 8.290 nan 0.000 0.559 468 Q N 0.212 120.081 119.800 0.114 0.000 2.368 468 Q HA 0.305 4.644 4.340 -0.001 0.000 0.237 468 Q C 0.640 176.542 176.000 -0.164 0.000 0.987 468 Q CA -0.403 55.350 55.803 -0.084 0.000 0.896 468 Q CB 0.829 29.554 28.738 -0.020 0.000 1.241 468 Q HN 0.546 nan 8.270 nan 0.000 0.485 469 I N 0.481 120.811 120.570 -0.400 0.000 2.900 469 I HA 0.120 4.290 4.170 -0.001 0.000 0.251 469 I C 0.087 176.301 176.117 0.162 0.000 1.102 469 I CA 0.053 61.159 61.300 -0.324 0.000 1.457 469 I CB 0.176 37.810 38.000 -0.610 0.000 1.285 469 I HN 0.646 nan 8.210 nan 0.000 0.459 470 W N 0.305 121.604 121.300 -0.002 0.000 2.902 470 W HA 0.743 5.402 4.660 -0.001 0.000 0.346 470 W C -1.423 175.191 176.519 0.157 0.000 1.139 470 W CA -0.799 56.600 57.345 0.091 0.000 1.139 470 W CB 0.602 30.030 29.460 -0.053 0.000 1.439 470 W HN -0.239 nan 8.180 nan 0.000 0.558 471 D N 0.505 121.163 120.400 0.431 0.000 2.602 471 D HA 0.276 4.915 4.640 -0.001 0.000 0.236 471 D C -1.428 175.038 176.300 0.276 0.000 1.209 471 D CA -0.866 53.358 54.000 0.374 0.000 0.831 471 D CB 2.309 43.302 40.800 0.322 0.000 1.478 471 D HN 0.507 nan 8.370 nan 0.000 0.438 472 K N 1.041 121.543 120.400 0.170 0.000 2.154 472 K HA 0.352 4.671 4.320 -0.001 0.000 0.264 472 K C -0.347 176.399 176.600 0.244 0.000 1.008 472 K CA -0.434 55.845 56.287 -0.013 0.000 0.937 472 K CB 0.976 33.211 32.500 -0.442 0.000 1.002 472 K HN 0.334 nan 8.250 nan 0.000 0.469 473 E N 1.979 122.309 120.200 0.218 0.000 2.250 473 E HA 0.220 4.569 4.350 -0.001 0.000 0.269 473 E C -1.148 175.749 176.600 0.496 0.000 1.018 473 E CA -0.532 56.095 56.400 0.379 0.000 0.873 473 E CB 0.456 30.287 29.700 0.219 0.000 1.134 473 E HN 0.325 nan 8.360 nan 0.000 0.403 474 F N 1.541 121.606 119.950 0.192 0.000 2.459 474 F HA 0.127 4.654 4.527 -0.001 0.000 0.346 474 F C 1.087 176.938 175.800 0.084 0.000 1.128 474 F CA -0.369 57.703 58.000 0.120 0.000 1.268 474 F CB 0.546 39.596 39.000 0.083 0.000 1.161 474 F HN 0.429 nan 8.300 nan 0.000 0.583 475 D N 1.390 121.909 120.400 0.198 0.000 3.134 475 D HA 0.082 4.721 4.640 -0.001 0.000 0.248 475 D C -0.048 176.327 176.300 0.125 0.000 1.273 475 D CA 0.002 54.083 54.000 0.134 0.000 0.904 475 D CB -0.324 40.521 40.800 0.075 0.000 1.089 475 D HN 0.525 nan 8.370 nan 0.000 0.478 476 T N -2.899 111.758 114.554 0.171 0.000 2.936 476 T HA 0.284 4.634 4.350 -0.001 0.000 0.282 476 T C 1.033 175.790 174.700 0.095 0.000 1.003 476 T CA -0.800 61.376 62.100 0.127 0.000 1.005 476 T CB 1.552 70.513 68.868 0.155 0.000 1.097 476 T HN -0.212 nan 8.240 nan 0.000 0.532 477 D N -0.001 120.441 120.400 0.070 0.000 2.123 477 D HA 0.105 4.745 4.640 -0.001 0.000 0.200 477 D C 0.723 177.056 176.300 0.055 0.000 0.976 477 D CA 1.005 55.038 54.000 0.055 0.000 0.831 477 D CB -0.047 40.777 40.800 0.041 0.000 0.974 477 D HN 0.427 nan 8.370 nan 0.000 0.469 478 L N -0.003 121.253 121.223 0.055 0.000 2.334 478 L HA 0.466 4.806 4.340 -0.001 0.000 0.270 478 L C 0.161 177.058 176.870 0.045 0.000 1.018 478 L CA -0.739 54.127 54.840 0.044 0.000 0.811 478 L CB 1.754 43.833 42.059 0.033 0.000 1.271 478 L HN -0.326 nan 8.230 nan 0.000 0.443 479 K N 0.710 121.126 120.400 0.027 0.000 2.482 479 K HA 0.555 4.874 4.320 -0.001 0.000 0.257 479 K C -2.570 174.007 176.600 -0.038 0.000 0.969 479 K CA -1.774 54.514 56.287 0.002 0.000 0.842 479 K CB 1.478 34.001 32.500 0.039 0.000 1.359 479 K HN 0.304 nan 8.250 nan 0.000 0.441 480 P HA 0.112 nan 4.420 nan 0.000 0.269 480 P C -0.305 176.976 177.300 -0.031 0.000 1.217 480 P CA -0.206 62.815 63.100 -0.132 0.000 0.783 480 P CB 0.553 32.103 31.700 -0.249 0.000 0.898 481 R N 0.538 121.023 120.500 -0.024 0.000 2.317 481 R HA 0.315 4.654 4.340 -0.001 0.000 0.208 481 R C 0.623 176.951 176.300 0.047 0.000 0.914 481 R CA 0.149 56.259 56.100 0.017 0.000 1.060 481 R CB -0.395 29.914 30.300 0.016 0.000 1.015 481 R HN 0.501 nan 8.270 nan 0.000 0.498 482 L N -4.609 116.657 121.223 0.072 0.000 3.133 482 L HA 0.437 4.776 4.340 -0.001 0.000 0.280 482 L C -1.569 175.457 176.870 0.260 0.000 1.009 482 L CA -1.196 53.733 54.840 0.147 0.000 0.982 482 L CB 1.573 43.686 42.059 0.090 0.000 1.530 482 L HN -0.126 nan 8.230 nan 0.000 0.394 483 H N -0.591 118.477 119.070 -0.002 0.000 2.710 483 H HA 0.583 5.138 4.556 -0.001 0.000 0.361 483 H C 0.118 175.472 175.328 0.043 0.000 1.175 483 H CA -0.458 55.595 56.048 0.008 0.000 1.206 483 H CB 2.733 32.535 29.762 0.067 0.000 1.750 483 H HN 0.616 nan 8.280 nan 0.000 0.553 484 V N -1.155 118.860 119.914 0.168 0.000 3.660 484 V HA -0.020 4.099 4.120 -0.001 0.000 0.276 484 V C 1.102 177.288 176.094 0.153 0.000 1.317 484 V CA 0.341 62.720 62.300 0.131 0.000 1.097 484 V CB -0.253 31.619 31.823 0.081 0.000 0.863 484 V HN 0.684 nan 8.190 nan 0.000 0.438 485 N N 1.898 120.714 118.700 0.193 0.000 2.405 485 N HA 0.369 5.108 4.740 -0.001 0.000 0.175 485 N C 0.472 176.106 175.510 0.206 0.000 1.051 485 N CA 1.013 54.175 53.050 0.187 0.000 0.899 485 N CB 0.863 39.461 38.487 0.184 0.000 1.000 485 N HN 0.674 nan 8.380 nan 0.000 0.451 486 A N 0.249 123.192 122.820 0.206 0.000 2.606 486 A HA 0.616 4.935 4.320 -0.001 0.000 0.293 486 A C -2.442 175.221 177.584 0.131 0.000 1.082 486 A CA -0.984 51.168 52.037 0.191 0.000 0.685 486 A CB 1.556 20.665 19.000 0.181 0.000 1.284 486 A HN -0.092 nan 8.150 nan 0.000 0.408 487 P HA 0.219 nan 4.420 nan 0.000 0.238 487 P C -0.265 176.898 177.300 -0.228 0.000 1.183 487 P CA 0.648 63.661 63.100 -0.144 0.000 0.813 487 P CB 0.137 31.634 31.700 -0.339 0.000 0.944 488 F N 0.205 120.261 119.950 0.178 0.000 2.388 488 F HA 0.284 4.811 4.527 -0.001 0.000 0.358 488 F C 0.240 176.100 175.800 0.098 0.000 1.122 488 F CA -1.101 56.976 58.000 0.128 0.000 1.056 488 F CB 1.140 40.208 39.000 0.114 0.000 1.155 488 F HN -0.408 nan 8.300 nan 0.000 0.461 489 V N 3.178 123.213 119.914 0.202 0.000 2.357 489 V HA 0.235 4.354 4.120 -0.001 0.000 0.284 489 V C -0.253 175.923 176.094 0.136 0.000 1.018 489 V CA -1.166 61.170 62.300 0.059 0.000 0.841 489 V CB 0.967 32.681 31.823 -0.181 0.000 0.991 489 V HN 0.896 nan 8.190 nan 0.000 0.437 490 c N 4.012 122.723 118.600 0.185 0.000 2.629 490 c HA 0.243 4.812 4.570 -0.001 0.000 0.410 490 c C 1.746 175.916 174.090 0.134 0.000 1.339 490 c CA -0.595 55.852 56.329 0.196 0.000 1.810 490 c CB -0.631 42.041 42.510 0.270 0.000 2.549 490 c HN 0.974 nan 8.230 nan 0.000 0.589 491 Q N 2.375 122.250 119.800 0.124 0.000 2.020 491 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 491 Q C 1.224 177.273 176.000 0.083 0.000 0.982 491 Q CA 1.660 57.519 55.803 0.094 0.000 0.838 491 Q CB 0.038 28.826 28.738 0.082 0.000 0.899 491 Q HN 0.837 nan 8.270 nan 0.000 0.423 492 N N 0.336 119.084 118.700 0.080 0.000 2.483 492 N HA 0.009 4.748 4.740 -0.001 0.000 0.278 492 N C 0.034 175.592 175.510 0.080 0.000 1.355 492 N CA -0.714 52.373 53.050 0.062 0.000 0.896 492 N CB 0.104 38.608 38.487 0.029 0.000 1.100 492 N HN -0.042 nan 8.380 nan 0.000 0.460 493 N N -0.013 118.740 118.700 0.088 0.000 2.503 493 N HA 0.207 4.946 4.740 -0.001 0.000 0.267 493 N C -1.248 174.373 175.510 0.184 0.000 1.214 493 N CA -0.231 52.885 53.050 0.110 0.000 0.959 493 N CB 0.410 38.971 38.487 0.124 0.000 1.142 493 N HN 0.350 nan 8.380 nan 0.000 0.455 494 c N 2.133 120.754 118.600 0.033 0.000 2.401 494 c HA 0.577 5.146 4.570 -0.001 0.000 0.356 494 c C -2.106 171.758 174.090 -0.377 0.000 1.192 494 c CA -1.254 55.023 56.329 -0.087 0.000 2.028 494 c CB 1.235 43.707 42.510 -0.064 0.000 2.344 494 c HN 0.659 nan 8.230 nan 0.000 0.525 495 P HA 0.169 nan 4.420 nan 0.000 0.264 495 P C 0.122 177.269 177.300 -0.256 0.000 1.193 495 P CA 0.717 63.232 63.100 -0.975 0.000 0.763 495 P CB 0.014 31.188 31.700 -0.876 0.000 0.810 496 G N 3.200 111.894 108.800 -0.178 0.000 2.554 496 G HA2 0.040 4.000 3.960 -0.001 0.000 0.238 496 G HA3 0.040 4.000 3.960 -0.001 0.000 0.238 496 G C -0.218 174.651 174.900 -0.053 0.000 1.259 496 G CA -0.408 44.657 45.100 -0.058 0.000 0.843 496 G HN 0.488 nan 8.290 nan 0.000 0.582 497 Q N -1.078 118.657 119.800 -0.107 0.000 2.417 497 Q HA 0.360 4.700 4.340 -0.001 0.000 0.241 497 Q C -0.480 175.067 176.000 -0.755 0.000 1.008 497 Q CA -0.431 55.146 55.803 -0.377 0.000 0.901 497 Q CB 1.423 29.894 28.738 -0.445 0.000 1.259 497 Q HN 0.365 nan 8.270 nan 0.000 0.489 498 L N 2.512 123.232 121.223 -0.838 0.000 2.319 498 L HA 0.504 4.843 4.340 -0.001 0.000 0.281 498 L C -1.778 174.543 176.870 -0.914 0.000 1.005 498 L CA -0.006 54.421 54.840 -0.688 0.000 0.828 498 L CB 0.521 42.458 42.059 -0.203 0.000 1.227 498 L HN 0.415 nan 8.230 nan 0.000 0.415 499 F N 4.686 124.538 119.950 -0.162 0.000 2.538 499 F HA 0.840 5.367 4.527 -0.001 0.000 0.325 499 F C 0.305 176.174 175.800 0.116 0.000 1.066 499 F CA -0.698 57.260 58.000 -0.070 0.000 0.946 499 F CB 1.949 40.805 39.000 -0.239 0.000 1.199 499 F HN 0.421 nan 8.300 nan 0.000 0.473 500 V N -0.454 119.784 119.914 0.541 0.000 3.182 500 V HA 0.912 5.031 4.120 -0.001 0.000 0.308 500 V C -1.237 175.060 176.094 0.338 0.000 1.240 500 V CA -1.097 61.456 62.300 0.423 0.000 1.063 500 V CB 2.109 34.014 31.823 0.137 0.000 1.076 500 V HN 0.962 nan 8.190 nan 0.000 0.446 501 K N 0.497 120.903 120.400 0.010 0.000 2.740 501 K HA 0.535 4.855 4.320 -0.001 0.000 0.279 501 K C -2.076 174.371 176.600 -0.254 0.000 1.038 501 K CA -0.655 55.469 56.287 -0.270 0.000 0.887 501 K CB 2.082 34.004 32.500 -0.963 0.000 1.411 501 K HN 0.799 nan 8.250 nan 0.000 0.381 502 V N 2.508 122.303 119.914 -0.197 0.000 2.614 502 V HA 0.417 4.537 4.120 -0.001 0.000 0.291 502 V C 0.591 176.575 176.094 -0.182 0.000 1.049 502 V CA 0.089 62.304 62.300 -0.141 0.000 1.038 502 V CB 0.963 32.735 31.823 -0.085 0.000 0.980 502 V HN 0.836 nan 8.190 nan 0.000 0.481 503 A N 7.693 130.435 122.820 -0.130 0.000 2.401 503 A HA 0.593 4.912 4.320 -0.001 0.000 0.259 503 A C -2.213 175.310 177.584 -0.102 0.000 1.103 503 A CA -1.354 50.609 52.037 -0.123 0.000 0.789 503 A CB -0.168 18.786 19.000 -0.077 0.000 1.035 503 A HN 0.698 nan 8.150 nan 0.000 0.491 504 P HA 0.048 nan 4.420 nan 0.000 0.264 504 P C -0.735 176.517 177.300 -0.079 0.000 1.193 504 P CA 0.122 63.166 63.100 -0.094 0.000 0.763 504 P CB 0.302 31.939 31.700 -0.105 0.000 0.810 505 N N 3.709 122.373 118.700 -0.060 0.000 2.518 505 N HA 0.265 5.004 4.740 -0.001 0.000 0.254 505 N C -0.772 174.711 175.510 -0.046 0.000 0.979 505 N CA -0.374 52.647 53.050 -0.047 0.000 0.930 505 N CB 0.232 38.704 38.487 -0.025 0.000 1.152 505 N HN 0.220 nan 8.380 nan 0.000 0.505 506 L N 0.875 122.059 121.223 -0.066 0.000 2.416 506 L HA 0.523 4.862 4.340 -0.001 0.000 0.262 506 L C 1.562 178.419 176.870 -0.022 0.000 1.093 506 L CA -0.865 53.940 54.840 -0.059 0.000 0.801 506 L CB 0.935 42.916 42.059 -0.129 0.000 1.191 506 L HN 0.488 nan 8.230 nan 0.000 0.459 507 T N -2.566 111.992 114.554 0.006 0.000 2.833 507 T HA 0.087 4.437 4.350 -0.001 0.000 0.292 507 T C 0.944 175.660 174.700 0.027 0.000 1.031 507 T CA -0.389 61.722 62.100 0.020 0.000 0.937 507 T CB 0.508 69.397 68.868 0.035 0.000 1.256 507 T HN 0.735 nan 8.240 nan 0.000 0.551 508 N N -0.696 118.023 118.700 0.031 0.000 2.422 508 N HA 0.001 4.740 4.740 -0.001 0.000 0.181 508 N C 0.029 175.576 175.510 0.061 0.000 1.080 508 N CA 0.115 53.187 53.050 0.036 0.000 0.893 508 N CB -0.130 38.373 38.487 0.026 0.000 0.973 508 N HN 0.730 nan 8.380 nan 0.000 0.456 509 E N -0.065 120.178 120.200 0.072 0.000 2.156 509 E HA 0.277 4.626 4.350 -0.001 0.000 0.279 509 E C -1.724 174.982 176.600 0.176 0.000 0.965 509 E CA -0.524 55.930 56.400 0.090 0.000 0.789 509 E CB 1.332 31.066 29.700 0.055 0.000 1.098 509 E HN 0.238 nan 8.360 nan 0.000 0.397 510 Y N 2.299 122.600 120.300 0.001 0.000 2.390 510 Y HA 0.221 4.771 4.550 -0.001 0.000 0.324 510 Y C -1.958 173.944 175.900 0.003 0.000 1.151 510 Y CA -0.904 57.197 58.100 0.002 0.000 1.053 510 Y CB 1.635 40.096 38.460 0.002 0.000 1.277 510 Y HN 0.402 nan 8.280 nan 0.000 0.432 511 D N 8.409 128.446 120.400 -0.604 0.000 2.358 511 D HA 0.402 5.041 4.640 -0.001 0.000 0.253 511 D C -2.294 173.574 176.300 -0.720 0.000 1.288 511 D CA -2.361 51.353 54.000 -0.476 0.000 0.950 511 D CB 2.149 42.820 40.800 -0.215 0.000 1.197 511 D HN 0.301 nan 8.370 nan 0.000 0.550 512 P HA -0.026 nan 4.420 nan 0.000 0.223 512 P C 0.598 177.764 177.300 -0.223 0.000 1.151 512 P CA 0.616 63.411 63.100 -0.508 0.000 0.787 512 P CB 0.512 32.170 31.700 -0.071 0.000 0.788 513 D N -0.270 120.026 120.400 -0.173 0.000 2.312 513 D HA 0.043 4.682 4.640 -0.001 0.000 0.211 513 D C 1.084 177.327 176.300 -0.096 0.000 0.964 513 D CA 0.460 54.404 54.000 -0.094 0.000 0.877 513 D CB -0.069 40.695 40.800 -0.060 0.000 0.924 513 D HN 0.158 nan 8.370 nan 0.000 0.515 514 A N 0.571 123.306 122.820 -0.141 0.000 2.304 514 A HA 0.291 4.610 4.320 -0.001 0.000 0.271 514 A C 1.465 178.994 177.584 -0.092 0.000 1.091 514 A CA 0.009 51.980 52.037 -0.111 0.000 0.812 514 A CB 0.721 19.646 19.000 -0.126 0.000 1.056 514 A HN 0.106 nan 8.150 nan 0.000 0.489 515 S N 0.859 116.521 115.700 -0.063 0.000 2.446 515 S HA 0.278 4.747 4.470 -0.001 0.000 0.225 515 S C 1.119 175.694 174.600 -0.042 0.000 1.016 515 S CA 0.558 58.731 58.200 -0.045 0.000 0.943 515 S CB -0.662 62.519 63.200 -0.033 0.000 0.786 515 S HN 1.499 nan 8.310 nan 0.000 0.508 516 A N 2.008 124.799 122.820 -0.048 0.000 2.429 516 A HA 0.313 4.632 4.320 -0.001 0.000 0.242 516 A C 0.252 177.817 177.584 -0.032 0.000 1.088 516 A CA -0.339 51.675 52.037 -0.037 0.000 0.784 516 A CB -0.377 18.600 19.000 -0.037 0.000 1.038 516 A HN 0.630 nan 8.150 nan 0.000 0.501 517 N N 0.150 118.841 118.700 -0.015 0.000 2.525 517 N HA 0.393 5.133 4.740 -0.001 0.000 0.271 517 N C 0.257 175.780 175.510 0.022 0.000 1.194 517 N CA -0.110 52.942 53.050 0.004 0.000 0.964 517 N CB 0.580 39.068 38.487 0.003 0.000 1.126 517 N HN 0.755 nan 8.380 nan 0.000 0.452 518 M N 0.160 119.799 119.600 0.065 0.000 2.242 518 M HA 0.320 4.799 4.480 -0.001 0.000 0.344 518 M C -0.392 175.961 176.300 0.089 0.000 1.140 518 M CA -0.410 54.964 55.300 0.123 0.000 1.160 518 M CB 0.829 33.617 32.600 0.312 0.000 1.491 518 M HN 0.323 nan 8.290 nan 0.000 0.459 519 S N 2.488 118.243 115.700 0.093 0.000 2.541 519 S HA 0.724 5.194 4.470 -0.001 0.000 0.283 519 S C -0.538 174.094 174.600 0.053 0.000 1.196 519 S CA -1.029 57.204 58.200 0.055 0.000 1.062 519 S CB 1.451 64.676 63.200 0.042 0.000 1.009 519 S HN 0.863 nan 8.310 nan 0.000 0.502 520 R N 0.778 121.294 120.500 0.027 0.000 2.888 520 R HA 0.565 4.905 4.340 -0.001 0.000 0.266 520 R C -0.611 175.696 176.300 0.012 0.000 1.020 520 R CA -0.932 55.175 56.100 0.012 0.000 0.963 520 R CB 1.237 31.536 30.300 -0.001 0.000 1.197 520 R HN 0.582 nan 8.270 nan 0.000 0.481 521 I N 1.450 122.025 120.570 0.008 0.000 2.696 521 I HA 0.038 4.207 4.170 -0.001 0.000 0.284 521 I C 0.255 176.389 176.117 0.027 0.000 1.129 521 I CA -0.418 60.892 61.300 0.017 0.000 1.410 521 I CB 1.078 39.087 38.000 0.015 0.000 1.399 521 I HN 0.202 nan 8.210 nan 0.000 0.579 522 V N 5.824 125.760 119.914 0.038 0.000 2.479 522 V HA 0.115 4.234 4.120 -0.001 0.000 0.281 522 V C 0.284 176.441 176.094 0.106 0.000 1.031 522 V CA 0.459 62.794 62.300 0.058 0.000 1.038 522 V CB 0.464 32.319 31.823 0.053 0.000 0.981 522 V HN 0.814 nan 8.190 nan 0.000 0.478 523 T N 5.323 119.945 114.554 0.114 0.000 2.903 523 T HA 0.761 5.111 4.350 -0.001 0.000 0.299 523 T C -1.038 173.805 174.700 0.238 0.000 1.093 523 T CA -0.475 61.718 62.100 0.155 0.000 1.002 523 T CB 1.880 70.783 68.868 0.058 0.000 1.127 523 T HN 0.683 nan 8.240 nan 0.000 0.488 524 Y N -1.087 119.209 120.300 -0.007 0.000 2.670 524 Y HA 0.858 5.407 4.550 -0.001 0.000 0.334 524 Y C -0.845 175.023 175.900 -0.054 0.000 1.185 524 Y CA -1.270 56.797 58.100 -0.056 0.000 1.053 524 Y CB 1.200 39.618 38.460 -0.069 0.000 1.298 524 Y HN 0.700 nan 8.280 nan 0.000 0.459 525 S N 0.667 116.316 115.700 -0.085 0.000 2.588 525 S HA 0.719 5.188 4.470 -0.001 0.000 0.275 525 S C -2.242 172.289 174.600 -0.115 0.000 1.130 525 S CA -0.592 57.520 58.200 -0.148 0.000 0.855 525 S CB 1.782 64.994 63.200 0.020 0.000 1.116 525 S HN 0.728 nan 8.310 nan 0.000 0.472 526 D N 1.597 121.957 120.400 -0.067 0.000 2.738 526 D HA 0.723 5.362 4.640 -0.001 0.000 0.237 526 D C -1.073 175.215 176.300 -0.020 0.000 1.123 526 D CA 0.015 53.927 54.000 -0.147 0.000 0.856 526 D CB 1.599 42.328 40.800 -0.117 0.000 1.552 526 D HN 0.492 nan 8.370 nan 0.000 0.480 527 F N -1.541 118.295 119.950 -0.190 0.000 2.693 527 F HA 0.693 5.219 4.527 -0.001 0.000 0.309 527 F C -1.725 173.883 175.800 -0.320 0.000 1.129 527 F CA -1.448 56.459 58.000 -0.157 0.000 0.948 527 F CB 0.704 39.686 39.000 -0.030 0.000 1.315 527 F HN 0.109 nan 8.300 nan 0.000 0.447 528 W N 1.433 122.673 121.300 -0.099 0.000 2.381 528 W HA 0.557 5.217 4.660 -0.001 0.000 0.329 528 W C -1.200 175.281 176.519 -0.064 0.000 1.157 528 W CA -0.493 56.679 57.345 -0.289 0.000 1.240 528 W CB 1.223 30.142 29.460 -0.901 0.000 1.199 528 W HN 0.781 nan 8.180 nan 0.000 0.579 529 W N 4.403 125.812 121.300 0.182 0.000 2.785 529 W HA 0.563 5.222 4.660 -0.001 0.000 0.333 529 W C -1.276 175.417 176.519 0.290 0.000 1.062 529 W CA -1.449 56.062 57.345 0.278 0.000 1.233 529 W CB 1.223 30.828 29.460 0.242 0.000 1.413 529 W HN 0.289 nan 8.180 nan 0.000 0.489 530 K N 4.782 124.832 120.400 -0.583 0.000 2.468 530 K HA 0.803 5.123 4.320 -0.001 0.000 0.252 530 K C -0.790 175.089 176.600 -1.203 0.000 0.932 530 K CA -0.727 55.100 56.287 -0.767 0.000 0.794 530 K CB 1.780 34.212 32.500 -0.113 0.000 1.241 530 K HN 0.722 nan 8.250 nan 0.000 0.428 531 G N 2.186 110.320 108.800 -1.110 0.000 2.658 531 G HA2 0.482 4.441 3.960 -0.001 0.000 0.292 531 G HA3 0.482 4.441 3.960 -0.001 0.000 0.292 531 G C -1.694 173.320 174.900 0.190 0.000 1.320 531 G CA -0.615 44.274 45.100 -0.350 0.000 0.933 531 G HN 0.455 nan 8.290 nan 0.000 0.476 532 K N 0.137 120.739 120.400 0.335 0.000 2.535 532 K HA 0.542 4.861 4.320 -0.001 0.000 0.250 532 K C -2.056 174.621 176.600 0.129 0.000 0.948 532 K CA -0.712 55.712 56.287 0.230 0.000 0.796 532 K CB 2.251 34.765 32.500 0.024 0.000 1.216 532 K HN 0.329 nan 8.250 nan 0.000 0.432 533 L N 4.459 125.596 121.223 -0.143 0.000 2.385 533 L HA 0.526 4.866 4.340 -0.001 0.000 0.273 533 L C -1.615 175.065 176.870 -0.317 0.000 0.990 533 L CA -0.662 53.911 54.840 -0.445 0.000 0.821 533 L CB 2.037 43.304 42.059 -1.320 0.000 1.279 533 L HN 0.355 nan 8.230 nan 0.000 0.412 534 V N 5.341 125.039 119.914 -0.360 0.000 2.495 534 V HA 0.573 4.693 4.120 -0.001 0.000 0.298 534 V C -0.599 175.273 176.094 -0.370 0.000 1.031 534 V CA -0.324 61.845 62.300 -0.219 0.000 0.871 534 V CB 1.565 33.306 31.823 -0.137 0.000 0.988 534 V HN 0.598 nan 8.190 nan 0.000 0.432 535 F N 2.762 122.710 119.950 -0.004 0.000 2.639 535 F HA 0.713 5.240 4.527 -0.001 0.000 0.339 535 F C 0.067 175.921 175.800 0.090 0.000 1.071 535 F CA -0.964 57.062 58.000 0.044 0.000 0.994 535 F CB 1.885 40.962 39.000 0.128 0.000 1.341 535 F HN 0.249 nan 8.300 nan 0.000 0.498 536 K N 0.830 121.469 120.400 0.398 0.000 2.482 536 K HA 0.846 5.165 4.320 -0.001 0.000 0.251 536 K C -1.631 175.261 176.600 0.486 0.000 0.936 536 K CA -0.423 56.071 56.287 0.346 0.000 0.791 536 K CB 1.878 34.507 32.500 0.215 0.000 1.213 536 K HN 0.803 nan 8.250 nan 0.000 0.428 537 A N 3.195 126.264 122.820 0.415 0.000 2.504 537 A HA 0.730 5.049 4.320 -0.001 0.000 0.285 537 A C -1.598 176.086 177.584 0.167 0.000 1.261 537 A CA -0.777 51.463 52.037 0.338 0.000 0.741 537 A CB 1.588 20.687 19.000 0.165 0.000 1.327 537 A HN 0.626 nan 8.150 nan 0.000 0.441 538 K N 0.512 120.849 120.400 -0.105 0.000 2.507 538 K HA 0.611 4.931 4.320 -0.001 0.000 0.251 538 K C -1.298 175.145 176.600 -0.261 0.000 0.943 538 K CA -0.495 55.525 56.287 -0.445 0.000 0.794 538 K CB 1.157 33.133 32.500 -0.873 0.000 1.188 538 K HN 0.649 nan 8.250 nan 0.000 0.428 539 L N 4.585 125.683 121.223 -0.208 0.000 2.483 539 L HA 0.238 4.577 4.340 -0.001 0.000 0.276 539 L C 0.868 177.654 176.870 -0.141 0.000 1.213 539 L CA -0.067 54.702 54.840 -0.118 0.000 0.843 539 L CB 0.265 42.285 42.059 -0.065 0.000 1.107 539 L HN 0.718 nan 8.230 nan 0.000 0.487 540 R N 2.175 122.608 120.500 -0.111 0.000 2.608 540 R HA 0.893 5.232 4.340 -0.001 0.000 0.255 540 R C -0.949 175.290 176.300 -0.101 0.000 1.086 540 R CA -0.772 55.273 56.100 -0.093 0.000 1.125 540 R CB 1.351 31.598 30.300 -0.088 0.000 1.193 540 R HN 0.602 nan 8.270 nan 0.000 0.553 541 A N 0.498 123.257 122.820 -0.103 0.000 2.515 541 A HA 0.410 4.730 4.320 -0.001 0.000 0.298 541 A C -0.785 176.527 177.584 -0.453 0.000 1.059 541 A CA -0.756 51.143 52.037 -0.231 0.000 0.698 541 A CB 1.826 20.699 19.000 -0.211 0.000 1.289 541 A HN 0.765 nan 8.150 nan 0.000 0.404 542 S N 0.222 115.675 115.700 -0.413 0.000 2.549 542 S HA 0.261 4.730 4.470 -0.001 0.000 0.286 542 S C 0.322 174.551 174.600 -0.620 0.000 1.314 542 S CA 0.215 58.188 58.200 -0.379 0.000 1.062 542 S CB -0.026 63.037 63.200 -0.229 0.000 0.865 542 S HN 0.716 nan 8.310 nan 0.000 0.498 543 H N 2.114 121.175 119.070 -0.015 0.000 3.266 543 H HA 0.183 4.738 4.556 -0.001 0.000 0.246 543 H C 0.840 176.193 175.328 0.042 0.000 0.998 543 H CA 0.734 56.787 56.048 0.008 0.000 1.152 543 H CB 0.221 29.986 29.762 0.006 0.000 1.466 543 H HN 0.746 nan 8.280 nan 0.000 0.481 544 T N -2.608 112.035 114.554 0.149 0.000 2.923 544 T HA 0.045 4.394 4.350 -0.001 0.000 0.281 544 T C 0.966 175.771 174.700 0.175 0.000 0.995 544 T CA -0.886 61.315 62.100 0.168 0.000 0.985 544 T CB 2.005 70.962 68.868 0.149 0.000 1.114 544 T HN 0.292 nan 8.240 nan 0.000 0.548 545 W N 2.055 123.364 121.300 0.016 0.000 2.494 545 W HA 0.027 4.686 4.660 -0.001 0.000 0.286 545 W C 0.138 176.652 176.519 -0.008 0.000 1.218 545 W CA 0.421 57.767 57.345 0.002 0.000 1.313 545 W CB -0.190 29.273 29.460 0.006 0.000 1.105 545 W HN 0.796 nan 8.180 nan 0.000 0.561 546 N N 2.343 121.220 118.700 0.296 0.000 2.513 546 N HA 0.178 4.917 4.740 -0.001 0.000 0.274 546 N C -2.570 172.954 175.510 0.024 0.000 1.189 546 N CA -1.211 51.932 53.050 0.156 0.000 0.975 546 N CB 0.104 38.688 38.487 0.161 0.000 1.157 546 N HN -0.091 nan 8.380 nan 0.000 0.465 547 P HA 0.309 nan 4.420 nan 0.000 0.275 547 P C -0.018 177.269 177.300 -0.022 0.000 1.266 547 P CA -0.395 62.675 63.100 -0.048 0.000 0.793 547 P CB 0.677 32.343 31.700 -0.057 0.000 1.074 548 I N -3.971 116.578 120.570 -0.035 0.000 3.445 548 I HA 0.542 4.711 4.170 -0.001 0.000 0.303 548 I C -0.019 176.079 176.117 -0.033 0.000 1.129 548 I CA -1.639 59.646 61.300 -0.024 0.000 0.989 548 I CB 1.063 39.045 38.000 -0.029 0.000 1.314 548 I HN 0.219 nan 8.210 nan 0.000 0.488 549 Q N 1.146 120.929 119.800 -0.027 0.000 2.392 549 Q HA 0.305 4.645 4.340 -0.001 0.000 0.262 549 Q C -1.278 174.688 176.000 -0.057 0.000 1.003 549 Q CA 0.033 55.816 55.803 -0.034 0.000 0.888 549 Q CB 0.771 29.487 28.738 -0.035 0.000 1.260 549 Q HN 0.551 nan 8.270 nan 0.000 0.435 550 Q N 2.752 122.519 119.800 -0.054 0.000 2.386 550 Q HA 0.207 4.547 4.340 -0.001 0.000 0.274 550 Q C -1.233 174.732 176.000 -0.058 0.000 1.011 550 Q CA -0.568 55.193 55.803 -0.071 0.000 0.867 550 Q CB 1.947 30.638 28.738 -0.078 0.000 1.409 550 Q HN 0.894 nan 8.270 nan 0.000 0.395 551 M N 1.597 121.157 119.600 -0.067 0.000 2.248 551 M HA 0.358 4.838 4.480 -0.001 0.000 0.337 551 M C -0.466 175.794 176.300 -0.066 0.000 1.121 551 M CA 0.718 55.990 55.300 -0.048 0.000 1.155 551 M CB 0.650 33.219 32.600 -0.052 0.000 1.514 551 M HN 0.631 nan 8.290 nan 0.000 0.452 552 S N 4.337 120.003 115.700 -0.057 0.000 2.587 552 S HA 0.529 4.999 4.470 -0.001 0.000 0.269 552 S C -1.296 173.257 174.600 -0.079 0.000 1.154 552 S CA -1.053 57.099 58.200 -0.080 0.000 0.824 552 S CB 1.151 64.313 63.200 -0.064 0.000 1.118 552 S HN 0.871 nan 8.310 nan 0.000 0.462 553 I N 2.577 123.080 120.570 -0.110 0.000 2.797 553 I HA 0.638 4.807 4.170 -0.001 0.000 0.310 553 I C -0.653 175.445 176.117 -0.032 0.000 0.990 553 I CA -0.327 60.917 61.300 -0.093 0.000 1.228 553 I CB 1.180 39.081 38.000 -0.165 0.000 1.406 553 I HN 1.002 nan 8.210 nan 0.000 0.534 554 N N 2.336 121.042 118.700 0.010 0.000 3.179 554 N HA 0.119 4.859 4.740 -0.001 0.000 0.250 554 N C 0.060 175.591 175.510 0.035 0.000 1.507 554 N CA -0.291 52.768 53.050 0.015 0.000 0.883 554 N CB 0.748 39.251 38.487 0.026 0.000 1.435 554 N HN 0.251 nan 8.380 nan 0.000 0.532 555 V N -2.987 116.952 119.914 0.042 0.000 2.568 555 V HA -0.146 3.974 4.120 -0.001 0.000 0.253 555 V C 0.884 177.050 176.094 0.119 0.000 1.072 555 V CA 2.031 64.375 62.300 0.075 0.000 1.084 555 V CB -0.820 31.050 31.823 0.077 0.000 0.676 555 V HN 0.615 nan 8.190 nan 0.000 0.469 556 D N 1.592 122.052 120.400 0.100 0.000 2.137 556 D HA -0.101 4.538 4.640 -0.001 0.000 0.202 556 D C 2.105 178.493 176.300 0.146 0.000 0.970 556 D CA 1.941 56.012 54.000 0.118 0.000 0.837 556 D CB -0.415 40.435 40.800 0.084 0.000 0.981 556 D HN 0.854 nan 8.370 nan 0.000 0.475 557 N N 0.335 119.122 118.700 0.146 0.000 2.325 557 N HA -0.076 4.664 4.740 -0.001 0.000 0.182 557 N C 1.670 177.314 175.510 0.223 0.000 1.088 557 N CA -0.075 53.081 53.050 0.176 0.000 0.879 557 N CB -0.025 38.610 38.487 0.246 0.000 0.983 557 N HN 0.053 nan 8.380 nan 0.000 0.471 558 Q N 0.838 120.732 119.800 0.157 0.000 2.294 558 Q HA -0.207 4.132 4.340 -0.001 0.000 0.215 558 Q C 0.419 176.345 176.000 -0.124 0.000 1.000 558 Q CA 1.833 57.630 55.803 -0.010 0.000 0.916 558 Q CB -0.259 28.329 28.738 -0.251 0.000 0.932 558 Q HN 0.493 nan 8.270 nan 0.000 0.420 559 F N -0.380 119.645 119.950 0.126 0.000 2.765 559 F HA 0.188 4.715 4.527 -0.001 0.000 0.302 559 F C 1.256 177.079 175.800 0.039 0.000 1.111 559 F CA 0.199 58.255 58.000 0.093 0.000 1.359 559 F CB 0.185 39.222 39.000 0.062 0.000 1.097 559 F HN 0.164 nan 8.300 nan 0.000 0.577 560 N N -1.082 117.641 118.700 0.039 0.000 2.494 560 N HA -0.106 4.633 4.740 -0.001 0.000 0.182 560 N C 0.238 175.583 175.510 -0.274 0.000 1.076 560 N CA 0.494 53.415 53.050 -0.214 0.000 0.908 560 N CB -0.036 38.133 38.487 -0.530 0.000 0.967 560 N HN 0.299 nan 8.380 nan 0.000 0.449 561 Y N 0.309 120.678 120.300 0.116 0.000 2.658 561 Y HA 0.363 4.912 4.550 -0.001 0.000 0.276 561 Y C -0.172 175.812 175.900 0.140 0.000 1.167 561 Y CA -0.371 57.805 58.100 0.126 0.000 1.230 561 Y CB 0.461 38.968 38.460 0.079 0.000 1.144 561 Y HN -0.225 nan 8.280 nan 0.000 0.529 562 V N 0.637 120.703 119.914 0.254 0.000 3.087 562 V HA 0.417 4.536 4.120 -0.001 0.000 0.306 562 V C -2.415 173.819 176.094 0.234 0.000 1.187 562 V CA -2.280 60.159 62.300 0.231 0.000 0.999 562 V CB 2.706 34.633 31.823 0.173 0.000 1.049 562 V HN -0.127 nan 8.190 nan 0.000 0.431 563 P HA 0.257 nan 4.420 nan 0.000 0.274 563 P C -0.340 177.058 177.300 0.163 0.000 1.237 563 P CA -0.052 63.160 63.100 0.188 0.000 0.793 563 P CB 0.714 32.512 31.700 0.163 0.000 0.977 564 S N 0.879 116.657 115.700 0.128 0.000 2.645 564 S HA 0.093 4.563 4.470 -0.001 0.000 0.266 564 S C 1.194 175.839 174.600 0.075 0.000 1.258 564 S CA -0.489 57.770 58.200 0.098 0.000 0.990 564 S CB -0.008 63.231 63.200 0.065 0.000 0.967 564 S HN 0.518 nan 8.310 nan 0.000 0.556 565 N N 0.453 119.186 118.700 0.056 0.000 2.635 565 N HA -0.085 4.655 4.740 -0.001 0.000 0.191 565 N C 0.649 176.178 175.510 0.031 0.000 1.155 565 N CA 0.664 53.739 53.050 0.041 0.000 0.927 565 N CB -0.494 38.010 38.487 0.029 0.000 0.976 565 N HN 0.577 nan 8.380 nan 0.000 0.448 566 I N -1.557 119.033 120.570 0.033 0.000 4.312 566 I HA 0.259 4.428 4.170 -0.001 0.000 0.324 566 I C 1.295 177.429 176.117 0.028 0.000 1.298 566 I CA 0.655 61.969 61.300 0.023 0.000 1.231 566 I CB -0.234 37.776 38.000 0.016 0.000 1.152 566 I HN 0.346 nan 8.210 nan 0.000 0.421 567 G N 1.062 109.889 108.800 0.045 0.000 2.145 567 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.145 567 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.145 567 G C 0.677 175.613 174.900 0.060 0.000 1.017 567 G CA -0.258 44.878 45.100 0.061 0.000 0.682 567 G HN 0.580 nan 8.290 nan 0.000 0.504 568 G N -0.148 108.687 108.800 0.057 0.000 2.406 568 G HA2 0.573 4.533 3.960 -0.001 0.000 0.251 568 G HA3 0.573 4.533 3.960 -0.001 0.000 0.251 568 G C 0.021 174.970 174.900 0.080 0.000 1.271 568 G CA 0.108 45.236 45.100 0.047 0.000 0.859 568 G HN 0.221 nan 8.290 nan 0.000 0.540 569 M N 0.962 120.588 119.600 0.044 0.000 2.619 569 M HA 0.584 5.063 4.480 -0.001 0.000 0.297 569 M C -0.258 176.140 176.300 0.164 0.000 1.229 569 M CA -0.802 54.563 55.300 0.108 0.000 0.860 569 M CB 2.568 35.157 32.600 -0.018 0.000 1.741 569 M HN 0.816 nan 8.290 nan 0.000 0.462 570 K N 0.629 121.191 120.400 0.270 0.000 2.597 570 K HA 0.726 5.045 4.320 -0.001 0.000 0.282 570 K C -1.972 174.778 176.600 0.250 0.000 0.975 570 K CA -0.755 55.698 56.287 0.278 0.000 0.867 570 K CB 1.666 34.276 32.500 0.184 0.000 1.465 570 K HN 0.623 nan 8.250 nan 0.000 0.417 571 I N 2.377 123.076 120.570 0.216 0.000 2.439 571 I HA 0.237 4.406 4.170 -0.001 0.000 0.283 571 I C -0.484 175.675 176.117 0.070 0.000 1.023 571 I CA -1.233 60.133 61.300 0.110 0.000 1.100 571 I CB 1.961 39.980 38.000 0.032 0.000 1.238 571 I HN 0.356 nan 8.210 nan 0.000 0.445 572 V N 5.965 125.885 119.914 0.011 0.000 2.953 572 V HA 0.144 4.263 4.120 -0.001 0.000 0.304 572 V C -0.272 175.799 176.094 -0.039 0.000 1.073 572 V CA -0.354 61.946 62.300 0.000 0.000 1.064 572 V CB 1.214 32.961 31.823 -0.127 0.000 1.047 572 V HN 0.585 nan 8.190 nan 0.000 0.478 573 Y N 1.865 121.997 120.300 -0.280 0.000 2.326 573 Y HA 0.659 5.209 4.550 -0.001 0.000 0.333 573 Y C -0.054 175.772 175.900 -0.122 0.000 1.240 573 Y CA -0.648 57.223 58.100 -0.382 0.000 1.365 573 Y CB 0.490 38.282 38.460 -1.114 0.000 1.289 573 Y HN 0.584 nan 8.280 nan 0.000 0.548 574 E N 1.890 122.085 120.200 -0.009 0.000 2.416 574 E HA 0.335 4.685 4.350 -0.001 0.000 0.273 574 E C -0.922 175.876 176.600 0.330 0.000 0.935 574 E CA -1.261 55.154 56.400 0.025 0.000 0.784 574 E CB 2.065 31.861 29.700 0.160 0.000 1.301 574 E HN 0.575 nan 8.360 nan 0.000 0.454 575 K N 0.428 121.019 120.400 0.318 0.000 2.117 575 K HA 0.328 4.647 4.320 -0.001 0.000 0.240 575 K C 0.984 177.884 176.600 0.500 0.000 1.031 575 K CA -0.100 56.489 56.287 0.504 0.000 0.909 575 K CB 0.774 33.503 32.500 0.382 0.000 1.097 575 K HN 0.654 nan 8.250 nan 0.000 0.492 576 S N -0.862 115.117 115.700 0.466 0.000 3.186 576 S HA -0.009 4.461 4.470 -0.001 0.000 0.253 576 S C 0.283 174.940 174.600 0.096 0.000 1.071 576 S CA -0.445 57.898 58.200 0.238 0.000 0.796 576 S CB 0.041 63.375 63.200 0.223 0.000 0.818 576 S HN 0.515 nan 8.310 nan 0.000 0.498 577 Q N 1.671 121.583 119.800 0.187 0.000 2.835 577 Q HA 0.401 4.740 4.340 -0.001 0.000 0.235 577 Q C -0.003 176.069 176.000 0.120 0.000 1.313 577 Q CA -0.398 55.482 55.803 0.129 0.000 1.053 577 Q CB 0.569 29.425 28.738 0.197 0.000 1.443 577 Q HN 0.266 nan 8.270 nan 0.000 0.576 578 L N 0.765 121.969 121.223 -0.033 0.000 2.005 578 L HA -0.030 4.310 4.340 -0.001 0.000 0.207 578 L C 1.071 177.944 176.870 0.004 0.000 1.072 578 L CA 1.402 56.153 54.840 -0.148 0.000 0.744 578 L CB -0.702 41.265 42.059 -0.154 0.000 0.895 578 L HN 0.483 nan 8.230 nan 0.000 0.433 579 A N -0.036 122.740 122.820 -0.074 0.000 2.304 579 A HA 0.541 4.861 4.320 -0.001 0.000 0.271 579 A C -2.300 175.002 177.584 -0.469 0.000 1.091 579 A CA -1.015 50.932 52.037 -0.151 0.000 0.812 579 A CB -0.376 18.557 19.000 -0.113 0.000 1.056 579 A HN 0.036 nan 8.150 nan 0.000 0.489 580 P HA 0.582 nan 4.420 nan 0.000 0.280 580 P C -1.057 176.132 177.300 -0.185 0.000 1.272 580 P CA -0.480 62.346 63.100 -0.458 0.000 0.819 580 P CB 0.835 32.527 31.700 -0.012 0.000 1.122 581 R N -1.480 118.958 120.500 -0.102 0.000 2.629 581 R HA 0.493 4.832 4.340 -0.001 0.000 0.266 581 R C -0.983 175.267 176.300 -0.084 0.000 1.051 581 R CA -1.089 54.970 56.100 -0.067 0.000 0.895 581 R CB 1.118 31.367 30.300 -0.084 0.000 1.246 581 R HN 0.138 nan 8.270 nan 0.000 0.459 582 K N 1.465 121.819 120.400 -0.078 0.000 2.336 582 K HA 0.047 4.367 4.320 -0.001 0.000 0.262 582 K C 0.273 176.787 176.600 -0.144 0.000 0.992 582 K CA -0.061 56.147 56.287 -0.131 0.000 0.927 582 K CB 0.734 33.178 32.500 -0.093 0.000 0.956 582 K HN 0.588 nan 8.250 nan 0.000 0.495 583 L N 1.405 122.519 121.223 -0.182 0.000 2.537 583 L HA 0.202 4.541 4.340 -0.001 0.000 0.224 583 L C -0.410 176.488 176.870 0.047 0.000 1.065 583 L CA 0.225 55.008 54.840 -0.095 0.000 0.860 583 L CB 0.501 42.465 42.059 -0.158 0.000 1.086 583 L HN 0.742 nan 8.230 nan 0.000 0.482 584 Y N 0.000 120.200 120.300 -0.166 0.000 2.660 584 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.032 58.100 -0.113 0.000 1.940 584 Y CB 0.000 38.397 38.460 -0.104 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758