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 1lf9_1_B DATA FIRST_RESID 11 DATA SEQUENCE SIKIDRFNNI SAVNGPGEED TWASAQKQGV GTANNYVSKV WFTLANGAIS DATA SEQUENCE EVYYPTIDTA DVKEIKFIVT DGKSFVPDET KDAISKVEKF TDKSLGYKLV DATA SEQUENCE NTDKKGRYRI TKDIFTDVKR NSLIMKAKFE ALEGSIHDYK LYLAYDPHIK DATA SEQUENCE NQGSYNEGYV IKANNNEMLM AKRDNVYTAL SSNIGWKGYS IGYYKVNDIM DATA SEQUENCE TDLDENKQMT KHYDSARGNI IEGAEIDLTK NSEFEIVLSF GQSDSEAAKT DATA SEQUENCE ALETLGEDYN NLKNNYIDEW TKYCNTLNNF NGKANSLYYN SMMILKASED DATA SEQUENCE KTNKGAYIAS LSIPWGDGQR DDNTGGYHLV WSRDLYHVAN AFIAAGDVDS DATA SEQUENCE ANRSLDYLAK VVKDNGMIPQ NTWISGKPYW TGIQLDEQAD PIILSYRLKR DATA SEQUENCE YDLYDSLVKP LADFIIKIGP KTGQERWEEI GGYSPATMAA EVAGLTCAAY DATA SEQUENCE IAEQNKDYES AQKYQEKADN WQKLIDNLTY TENGPLGNGQ YYIRIAGLSD DATA SEQUENCE PDADFMINIA NGGGVYDQKE IVDPSFLELV RLGVKSADDP KILNTLKVVD DATA SEQUENCE STIKVDTPKG PSWYRYNHDG YGEPSKTELY HGAGKGRLWP LLTGERGMYE DATA SEQUENCE IAAGKDATPY VKAMEKFANE GGIISEQVWE DTGLPTDSAS PLNWAHAEYV DATA SEQUENCE ILFASNIEHK VLDMPDIVYK RYVA 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.604 174.600 0.007 0.000 1.055 11 S CA 0.000 58.204 58.200 0.006 0.000 1.107 11 S CB 0.000 63.203 63.200 0.006 0.000 0.593 12 I N 1.966 122.540 120.570 0.007 0.000 2.437 12 I HA 0.629 4.797 4.170 -0.002 0.000 0.298 12 I C -0.432 175.693 176.117 0.013 0.000 0.984 12 I CA -0.717 60.589 61.300 0.009 0.000 1.214 12 I CB 1.495 39.499 38.000 0.006 0.000 1.365 12 I HN 0.208 nan 8.210 nan 0.000 0.469 13 K N 7.225 127.636 120.400 0.019 0.000 2.262 13 K HA 0.531 4.850 4.320 -0.002 0.000 0.282 13 K C -1.274 175.347 176.600 0.036 0.000 1.066 13 K CA -0.488 55.815 56.287 0.026 0.000 0.901 13 K CB 0.881 33.398 32.500 0.027 0.000 1.089 13 K HN 0.750 nan 8.250 nan 0.000 0.476 14 I N 4.120 124.713 120.570 0.038 0.000 2.378 14 I HA 0.203 4.371 4.170 -0.002 0.000 0.291 14 I C -0.672 175.488 176.117 0.072 0.000 0.992 14 I CA -0.735 60.596 61.300 0.051 0.000 1.154 14 I CB 1.736 39.756 38.000 0.033 0.000 1.315 14 I HN 0.519 nan 8.210 nan 0.000 0.448 15 D N 7.176 127.646 120.400 0.116 0.000 2.454 15 D HA 0.249 4.887 4.640 -0.002 0.000 0.247 15 D C -0.439 176.000 176.300 0.232 0.000 1.129 15 D CA -0.481 53.624 54.000 0.174 0.000 0.877 15 D CB 2.101 43.022 40.800 0.202 0.000 1.082 15 D HN 0.410 nan 8.370 nan 0.000 0.537 16 R N 2.242 122.816 120.500 0.123 0.000 2.404 16 R HA 0.558 4.897 4.340 -0.002 0.000 0.291 16 R C -1.058 175.298 176.300 0.092 0.000 1.025 16 R CA -0.437 55.643 56.100 -0.032 0.000 0.991 16 R CB 0.637 30.900 30.300 -0.062 0.000 1.053 16 R HN 0.318 nan 8.270 nan 0.000 0.479 17 F N 1.038 121.022 119.950 0.055 0.000 2.596 17 F HA 0.388 4.914 4.527 -0.002 0.000 0.311 17 F C -1.127 174.712 175.800 0.066 0.000 1.116 17 F CA -1.333 56.699 58.000 0.054 0.000 0.957 17 F CB 1.425 40.463 39.000 0.064 0.000 1.250 17 F HN 0.373 nan 8.300 nan 0.000 0.444 18 N N 2.108 120.929 118.700 0.202 0.000 2.851 18 N HA 0.360 5.099 4.740 -0.002 0.000 0.248 18 N C -0.717 174.901 175.510 0.181 0.000 1.221 18 N CA -0.400 52.737 53.050 0.146 0.000 0.847 18 N CB 0.305 38.827 38.487 0.059 0.000 1.150 18 N HN 0.808 nan 8.380 nan 0.000 0.507 19 N N 1.591 120.441 118.700 0.251 0.000 2.251 19 N HA 0.199 4.938 4.740 -0.002 0.000 0.181 19 N C -0.312 175.297 175.510 0.166 0.000 1.019 19 N CA 0.749 53.915 53.050 0.193 0.000 0.862 19 N CB 0.478 39.086 38.487 0.202 0.000 0.992 19 N HN 0.385 nan 8.380 nan 0.000 0.429 20 I N 0.523 121.215 120.570 0.205 0.000 2.503 20 I HA 0.195 4.364 4.170 -0.002 0.000 0.282 20 I C -0.956 175.312 176.117 0.251 0.000 1.059 20 I CA -0.482 60.949 61.300 0.218 0.000 1.081 20 I CB 2.018 40.160 38.000 0.236 0.000 1.210 20 I HN -0.120 nan 8.210 nan 0.000 0.450 21 S N 4.066 119.867 115.700 0.167 0.000 2.545 21 S HA 0.568 5.036 4.470 -0.002 0.000 0.275 21 S C 0.530 175.104 174.600 -0.044 0.000 1.299 21 S CA -0.617 57.632 58.200 0.082 0.000 1.048 21 S CB 1.426 64.653 63.200 0.045 0.000 0.938 21 S HN 0.697 nan 8.310 nan 0.000 0.496 22 A N 2.708 125.363 122.820 -0.274 0.000 2.498 22 A HA 0.430 4.749 4.320 -0.002 0.000 0.239 22 A C 0.483 177.854 177.584 -0.356 0.000 1.068 22 A CA -0.408 51.086 52.037 -0.905 0.000 0.766 22 A CB -0.220 18.260 19.000 -0.866 0.000 1.003 22 A HN 0.926 nan 8.150 nan 0.000 0.497 23 V N 0.164 119.826 119.914 -0.419 0.000 3.096 23 V HA 0.614 4.733 4.120 -0.002 0.000 0.319 23 V C 0.303 176.401 176.094 0.006 0.000 1.103 23 V CA -0.832 61.420 62.300 -0.081 0.000 1.016 23 V CB 1.340 33.136 31.823 -0.045 0.000 1.090 23 V HN 0.983 nan 8.190 nan 0.000 0.449 24 N N 0.675 119.341 118.700 -0.056 0.000 2.740 24 N HA -0.134 4.605 4.740 -0.002 0.000 0.248 24 N C 0.474 175.795 175.510 -0.315 0.000 1.062 24 N CA 1.096 54.078 53.050 -0.114 0.000 0.704 24 N CB -1.202 37.261 38.487 -0.041 0.000 0.968 24 N HN 1.390 nan 8.380 nan 0.000 0.547 25 G N 0.846 109.248 108.800 -0.663 0.000 2.570 25 G HA2 0.338 4.297 3.960 -0.002 0.000 0.276 25 G HA3 0.338 4.297 3.960 -0.002 0.000 0.276 25 G C -0.496 174.037 174.900 -0.610 0.000 1.346 25 G CA -0.243 44.012 45.100 -1.409 0.000 1.034 25 G HN 0.115 nan 8.290 nan 0.000 0.512 26 P HA 0.245 nan 4.420 nan 0.000 0.262 26 P C 0.562 177.706 177.300 -0.259 0.000 1.304 26 P CA 0.869 63.669 63.100 -0.501 0.000 0.859 26 P CB 0.292 31.906 31.700 -0.143 0.000 1.310 27 G N 0.617 109.291 108.800 -0.209 0.000 2.675 27 G HA2 -0.110 3.848 3.960 -0.002 0.000 0.686 27 G HA3 -0.110 3.848 3.960 -0.002 0.000 0.686 27 G C -0.845 174.098 174.900 0.072 0.000 1.215 27 G CA -0.904 44.239 45.100 0.072 0.000 0.777 27 G HN 0.072 nan 8.290 nan 0.000 0.638 28 E N 0.914 121.171 120.200 0.095 0.000 2.392 28 E HA 0.249 4.597 4.350 -0.002 0.000 0.259 28 E C 1.068 177.792 176.600 0.207 0.000 1.108 28 E CA -0.118 56.334 56.400 0.086 0.000 0.916 28 E CB 0.583 30.273 29.700 -0.017 0.000 0.989 28 E HN 0.617 nan 8.360 nan 0.000 0.432 29 E N 0.901 121.181 120.200 0.134 0.000 2.415 29 E HA 0.020 4.369 4.350 -0.002 0.000 0.262 29 E C -0.240 176.481 176.600 0.202 0.000 1.038 29 E CA 0.267 56.734 56.400 0.112 0.000 0.921 29 E CB 0.609 30.345 29.700 0.060 0.000 0.950 29 E HN 0.273 nan 8.360 nan 0.000 0.438 30 D N -0.179 120.243 120.400 0.037 0.000 2.654 30 D HA 0.386 5.024 4.640 -0.002 0.000 0.255 30 D C -0.526 175.728 176.300 -0.076 0.000 1.101 30 D CA -0.311 53.659 54.000 -0.051 0.000 1.116 30 D CB 1.674 42.255 40.800 -0.365 0.000 1.348 30 D HN 0.479 nan 8.370 nan 0.000 0.609 31 T N -3.354 111.165 114.554 -0.059 0.000 2.645 31 T HA 0.606 4.954 4.350 -0.002 0.000 0.273 31 T C -0.399 174.234 174.700 -0.113 0.000 0.960 31 T CA -0.742 61.337 62.100 -0.035 0.000 1.051 31 T CB 0.692 69.629 68.868 0.115 0.000 1.366 31 T HN 0.450 nan 8.240 nan 0.000 0.536 32 W N 0.014 121.425 121.300 0.186 0.000 2.380 32 W HA 0.742 5.401 4.660 -0.002 0.000 0.441 32 W C 0.633 177.200 176.519 0.080 0.000 1.762 32 W CA -0.697 56.737 57.345 0.149 0.000 1.905 32 W CB 0.724 30.281 29.460 0.162 0.000 1.624 32 W HN 0.986 nan 8.180 nan 0.000 0.717 33 A N 0.298 123.338 122.820 0.368 0.000 2.248 33 A HA 0.500 4.818 4.320 -0.002 0.000 0.316 33 A C -0.183 177.493 177.584 0.153 0.000 1.101 33 A CA -0.486 51.666 52.037 0.192 0.000 0.875 33 A CB 0.579 19.664 19.000 0.141 0.000 1.207 33 A HN 0.407 nan 8.150 nan 0.000 0.504 34 S N -0.578 115.180 115.700 0.097 0.000 2.549 34 S HA 0.298 4.767 4.470 -0.002 0.000 0.286 34 S C 1.157 175.752 174.600 -0.009 0.000 1.314 34 S CA 0.073 58.302 58.200 0.049 0.000 1.062 34 S CB 0.587 63.813 63.200 0.043 0.000 0.865 34 S HN 1.506 nan 8.310 nan 0.000 0.498 35 A N 3.416 126.175 122.820 -0.101 0.000 2.169 35 A HA 0.135 4.453 4.320 -0.002 0.000 0.212 35 A C 1.088 178.554 177.584 -0.197 0.000 1.153 35 A CA 0.441 52.363 52.037 -0.191 0.000 0.756 35 A CB -0.337 18.432 19.000 -0.385 0.000 0.813 35 A HN 0.829 nan 8.150 nan 0.000 0.471 36 Q N 1.783 121.491 119.800 -0.152 0.000 2.323 36 Q HA 0.240 4.579 4.340 -0.002 0.000 0.257 36 Q C -0.898 175.053 176.000 -0.081 0.000 1.022 36 Q CA 0.150 55.876 55.803 -0.128 0.000 0.919 36 Q CB 0.371 29.058 28.738 -0.086 0.000 1.220 36 Q HN 0.134 nan 8.270 nan 0.000 0.427 37 K N 3.975 124.321 120.400 -0.090 0.000 2.159 37 K HA 0.203 4.522 4.320 -0.002 0.000 0.266 37 K C 0.084 176.634 176.600 -0.084 0.000 0.975 37 K CA -0.467 55.772 56.287 -0.080 0.000 0.865 37 K CB 1.414 33.859 32.500 -0.091 0.000 1.087 37 K HN 0.721 nan 8.250 nan 0.000 0.446 38 Q N 0.224 119.965 119.800 -0.099 0.000 2.331 38 Q HA 0.125 4.464 4.340 -0.002 0.000 0.203 38 Q C 0.476 176.349 176.000 -0.212 0.000 0.944 38 Q CA 0.327 56.067 55.803 -0.105 0.000 0.892 38 Q CB 0.620 29.308 28.738 -0.083 0.000 0.983 38 Q HN 0.817 nan 8.270 nan 0.000 0.482 39 G N -0.270 108.317 108.800 -0.355 0.000 2.489 39 G HA2 0.443 4.402 3.960 -0.002 0.000 0.291 39 G HA3 0.443 4.402 3.960 -0.002 0.000 0.291 39 G C -1.678 172.937 174.900 -0.475 0.000 1.487 39 G CA -0.339 44.377 45.100 -0.640 0.000 0.795 39 G HN 0.113 nan 8.290 nan 0.000 0.513 40 V N -2.103 117.619 119.914 -0.320 0.000 3.114 40 V HA 1.082 5.201 4.120 -0.002 0.000 0.308 40 V C 0.163 176.000 176.094 -0.428 0.000 1.168 40 V CA -0.019 62.055 62.300 -0.376 0.000 1.015 40 V CB 1.519 33.217 31.823 -0.209 0.000 1.050 40 V HN 2.402 nan 8.190 nan 0.000 0.433 41 G N -0.112 108.153 108.800 -0.891 0.000 2.506 41 G HA2 0.768 4.726 3.960 -0.002 0.000 0.292 41 G HA3 0.768 4.726 3.960 -0.002 0.000 0.292 41 G C -0.978 173.811 174.900 -0.185 0.000 1.425 41 G CA 0.122 44.914 45.100 -0.513 0.000 0.788 41 G HN 1.603 nan 8.290 nan 0.000 0.490 42 T N -1.747 113.008 114.554 0.336 0.000 2.843 42 T HA 0.643 4.992 4.350 -0.002 0.000 0.337 42 T C -0.516 174.442 174.700 0.429 0.000 1.754 42 T CA 0.579 62.832 62.100 0.255 0.000 1.052 42 T CB 0.879 69.547 68.868 -0.333 0.000 1.588 42 T HN 2.070 nan 8.240 nan 0.000 0.493 43 A N 2.386 125.327 122.820 0.202 0.000 2.445 43 A HA 0.461 4.779 4.320 -0.002 0.000 0.242 43 A C 0.561 177.870 177.584 -0.459 0.000 1.075 43 A CA -0.100 51.902 52.037 -0.058 0.000 0.777 43 A CB -0.159 18.833 19.000 -0.013 0.000 1.013 43 A HN 0.738 nan 8.150 nan 0.000 0.493 44 N N 2.197 120.293 118.700 -1.005 0.000 3.245 44 N HA 0.091 4.830 4.740 -0.002 0.000 0.296 44 N C -0.544 174.495 175.510 -0.786 0.000 1.254 44 N CA 0.027 52.328 53.050 -1.248 0.000 1.190 44 N CB -0.621 36.661 38.487 -2.009 0.000 1.460 44 N HN 0.780 nan 8.380 nan 0.000 0.538 45 N N -0.785 117.532 118.700 -0.638 0.000 2.961 45 N HA 0.020 4.759 4.740 -0.002 0.000 0.245 45 N C -0.609 174.577 175.510 -0.540 0.000 1.404 45 N CA -0.558 52.173 53.050 -0.532 0.000 0.880 45 N CB 0.308 38.614 38.487 -0.302 0.000 1.461 45 N HN -0.005 nan 8.380 nan 0.000 0.510 46 Y N -0.088 120.124 120.300 -0.146 0.000 2.482 46 Y HA 0.148 4.696 4.550 -0.002 0.000 0.270 46 Y C 2.088 177.935 175.900 -0.089 0.000 1.152 46 Y CA -0.077 57.956 58.100 -0.111 0.000 1.292 46 Y CB 0.447 38.861 38.460 -0.076 0.000 1.070 46 Y HN 0.321 nan 8.280 nan 0.000 0.528 47 V N -1.141 118.782 119.914 0.015 0.000 2.255 47 V HA -0.190 3.929 4.120 -0.002 0.000 0.243 47 V C 1.351 177.443 176.094 -0.002 0.000 1.038 47 V CA 1.443 63.753 62.300 0.017 0.000 1.008 47 V CB -0.484 31.341 31.823 0.004 0.000 0.645 47 V HN 0.214 nan 8.190 nan 0.000 0.449 48 S N 0.936 116.604 115.700 -0.054 0.000 2.700 48 S HA 0.118 4.586 4.470 -0.002 0.000 0.321 48 S C 0.459 174.957 174.600 -0.169 0.000 1.161 48 S CA -0.384 57.783 58.200 -0.055 0.000 1.078 48 S CB -0.574 62.604 63.200 -0.036 0.000 1.302 48 S HN 0.450 nan 8.310 nan 0.000 0.540 49 K N 3.771 124.124 120.400 -0.079 0.000 2.751 49 K HA 0.274 4.593 4.320 -0.002 0.000 0.252 49 K C -0.972 175.583 176.600 -0.076 0.000 1.277 49 K CA -0.179 56.012 56.287 -0.159 0.000 1.226 49 K CB 0.171 32.710 32.500 0.064 0.000 1.658 49 K HN 0.334 nan 8.250 nan 0.000 0.303 50 V N 1.134 120.863 119.914 -0.309 0.000 2.686 50 V HA 0.389 4.508 4.120 -0.002 0.000 0.306 50 V C -0.823 175.239 176.094 -0.052 0.000 1.065 50 V CA -1.040 61.232 62.300 -0.046 0.000 0.894 50 V CB 1.772 33.599 31.823 0.006 0.000 1.004 50 V HN 0.477 nan 8.190 nan 0.000 0.424 51 W N 4.898 126.301 121.300 0.172 0.000 2.736 51 W HA 0.704 5.363 4.660 -0.002 0.000 0.335 51 W C -0.737 175.965 176.519 0.306 0.000 1.059 51 W CA -0.685 56.767 57.345 0.179 0.000 1.226 51 W CB 2.289 31.772 29.460 0.037 0.000 1.416 51 W HN 0.659 nan 8.180 nan 0.000 0.505 52 F N 0.005 120.193 119.950 0.397 0.000 2.620 52 F HA 0.840 5.366 4.527 -0.002 0.000 0.320 52 F C -0.436 175.497 175.800 0.222 0.000 1.069 52 F CA -1.003 57.170 58.000 0.288 0.000 0.953 52 F CB 1.522 40.637 39.000 0.191 0.000 1.322 52 F HN 0.118 nan 8.300 nan 0.000 0.479 53 T N 0.195 114.929 114.554 0.301 0.000 2.896 53 T HA 0.783 5.132 4.350 -0.002 0.000 0.297 53 T C -1.340 173.460 174.700 0.167 0.000 1.108 53 T CA -0.896 61.270 62.100 0.110 0.000 1.004 53 T CB 1.789 70.723 68.868 0.110 0.000 1.159 53 T HN 0.858 nan 8.240 nan 0.000 0.499 54 L N 1.097 122.334 121.223 0.024 0.000 2.362 54 L HA 0.900 5.239 4.340 -0.002 0.000 0.271 54 L C -0.335 176.524 176.870 -0.018 0.000 1.002 54 L CA -1.249 53.594 54.840 0.005 0.000 0.818 54 L CB 1.997 43.997 42.059 -0.099 0.000 1.298 54 L HN 1.120 nan 8.230 nan 0.000 0.420 55 A N 1.676 124.504 122.820 0.013 0.000 2.540 55 A HA 0.490 4.809 4.320 -0.002 0.000 0.297 55 A C -0.255 177.350 177.584 0.034 0.000 1.056 55 A CA -0.573 51.472 52.037 0.014 0.000 0.700 55 A CB 1.038 20.051 19.000 0.023 0.000 1.280 55 A HN 0.914 nan 8.150 nan 0.000 0.398 56 N N 0.797 119.517 118.700 0.033 0.000 2.721 56 N HA -0.208 4.531 4.740 -0.002 0.000 0.249 56 N C 0.954 176.503 175.510 0.064 0.000 1.072 56 N CA 1.583 54.663 53.050 0.050 0.000 0.710 56 N CB -0.719 37.804 38.487 0.060 0.000 0.993 56 N HN 2.351 nan 8.380 nan 0.000 0.547 57 G N -2.060 106.775 108.800 0.057 0.000 2.162 57 G HA2 -0.105 3.854 3.960 -0.002 0.000 0.260 57 G HA3 -0.105 3.854 3.960 -0.002 0.000 0.260 57 G C 0.084 175.041 174.900 0.094 0.000 0.976 57 G CA 0.551 45.698 45.100 0.078 0.000 0.655 57 G HN 1.079 nan 8.290 nan 0.000 0.533 58 A N -1.044 121.821 122.820 0.074 0.000 2.569 58 A HA 0.815 5.134 4.320 -0.002 0.000 0.290 58 A C -0.030 177.588 177.584 0.056 0.000 1.136 58 A CA -0.663 51.415 52.037 0.069 0.000 0.710 58 A CB 0.993 20.032 19.000 0.066 0.000 1.303 58 A HN 0.747 nan 8.150 nan 0.000 0.413 59 I N 2.132 122.733 120.570 0.050 0.000 2.683 59 I HA 0.094 4.263 4.170 -0.002 0.000 0.286 59 I C 1.368 177.539 176.117 0.090 0.000 1.175 59 I CA 0.451 61.801 61.300 0.083 0.000 1.429 59 I CB 0.831 38.870 38.000 0.066 0.000 1.371 59 I HN 0.867 nan 8.210 nan 0.000 0.569 60 S N 4.910 120.680 115.700 0.117 0.000 4.041 60 S HA 0.301 4.769 4.470 -0.002 0.000 0.194 60 S C 0.022 174.700 174.600 0.131 0.000 0.942 60 S CA -0.710 57.552 58.200 0.104 0.000 1.642 60 S CB -0.185 63.073 63.200 0.097 0.000 0.665 60 S HN 0.532 nan 8.310 nan 0.000 0.698 61 E N 0.648 120.936 120.200 0.145 0.000 2.373 61 E HA 0.528 4.877 4.350 -0.002 0.000 0.267 61 E C -1.206 175.471 176.600 0.128 0.000 1.032 61 E CA -0.162 56.292 56.400 0.090 0.000 0.889 61 E CB 0.913 30.604 29.700 -0.015 0.000 0.984 61 E HN 0.363 nan 8.360 nan 0.000 0.425 62 V N 3.418 123.366 119.914 0.057 0.000 2.656 62 V HA 0.351 4.470 4.120 -0.002 0.000 0.307 62 V C -1.075 175.030 176.094 0.018 0.000 1.051 62 V CA -0.873 61.565 62.300 0.231 0.000 0.893 62 V CB 0.805 32.856 31.823 0.381 0.000 0.999 62 V HN 0.574 nan 8.190 nan 0.000 0.426 63 Y N 3.874 124.282 120.300 0.181 0.000 2.409 63 Y HA 0.777 5.326 4.550 -0.002 0.000 0.339 63 Y C -0.532 175.466 175.900 0.163 0.000 1.033 63 Y CA -0.660 57.512 58.100 0.120 0.000 1.094 63 Y CB 1.970 40.422 38.460 -0.013 0.000 1.210 63 Y HN 0.699 nan 8.280 nan 0.000 0.456 64 Y N 4.050 124.392 120.300 0.069 0.000 2.527 64 Y HA 0.246 4.795 4.550 -0.002 0.000 0.328 64 Y C -2.775 173.174 175.900 0.083 0.000 1.216 64 Y CA -1.890 56.201 58.100 -0.014 0.000 1.152 64 Y CB 2.125 40.231 38.460 -0.588 0.000 1.342 64 Y HN 0.294 nan 8.280 nan 0.000 0.465 65 P HA 0.100 nan 4.420 nan 0.000 0.255 65 P C -0.150 177.135 177.300 -0.026 0.000 1.248 65 P CA 0.648 63.295 63.100 -0.755 0.000 0.807 65 P CB 0.603 31.743 31.700 -0.932 0.000 1.150 66 T N -3.704 110.851 114.554 0.002 0.000 2.930 66 T HA 0.415 4.764 4.350 -0.002 0.000 0.290 66 T C 0.848 175.351 174.700 -0.327 0.000 1.052 66 T CA -0.814 61.270 62.100 -0.027 0.000 1.017 66 T CB 1.420 70.253 68.868 -0.059 0.000 1.137 66 T HN -0.178 nan 8.240 nan 0.000 0.511 67 I N 0.974 121.043 120.570 -0.836 0.000 3.334 67 I HA -0.031 4.137 4.170 -0.002 0.000 0.282 67 I C 0.819 176.493 176.117 -0.738 0.000 1.313 67 I CA 0.990 61.506 61.300 -1.307 0.000 1.396 67 I CB -0.027 37.085 38.000 -1.481 0.000 1.054 67 I HN 0.765 nan 8.210 nan 0.000 0.495 68 D N -1.068 119.138 120.400 -0.324 0.000 2.462 68 D HA 0.048 4.687 4.640 -0.002 0.000 0.221 68 D C -0.002 176.294 176.300 -0.007 0.000 1.173 68 D CA -0.023 53.901 54.000 -0.127 0.000 0.831 68 D CB -0.110 40.844 40.800 0.257 0.000 1.001 68 D HN -0.004 nan 8.370 nan 0.000 0.499 69 T N 0.870 115.438 114.554 0.023 0.000 3.060 69 T HA 0.618 4.967 4.350 -0.002 0.000 0.367 69 T C -0.120 174.606 174.700 0.043 0.000 1.229 69 T CA -0.580 61.565 62.100 0.075 0.000 1.104 69 T CB 0.946 69.850 68.868 0.061 0.000 1.083 69 T HN 0.289 nan 8.240 nan 0.000 0.524 70 A N 1.995 124.701 122.820 -0.190 0.000 2.363 70 A HA 0.513 4.832 4.320 -0.002 0.000 0.270 70 A C 0.615 178.208 177.584 0.016 0.000 1.121 70 A CA -0.428 51.265 52.037 -0.573 0.000 0.800 70 A CB 0.330 18.838 19.000 -0.820 0.000 1.052 70 A HN 0.703 nan 8.150 nan 0.000 0.493 71 D N 0.907 121.370 120.400 0.104 0.000 2.500 71 D HA 0.228 4.867 4.640 -0.002 0.000 0.217 71 D C -0.409 176.068 176.300 0.296 0.000 1.159 71 D CA 0.571 54.752 54.000 0.302 0.000 0.828 71 D CB 0.947 42.028 40.800 0.467 0.000 1.039 71 D HN 0.247 nan 8.370 nan 0.000 0.512 72 V N 1.065 121.119 119.914 0.234 0.000 2.925 72 V HA 0.225 4.344 4.120 -0.002 0.000 0.311 72 V C 0.812 176.923 176.094 0.030 0.000 1.104 72 V CA -0.792 61.586 62.300 0.130 0.000 0.954 72 V CB 3.510 35.496 31.823 0.272 0.000 1.022 72 V HN -0.218 nan 8.190 nan 0.000 0.427 73 K N 1.407 121.635 120.400 -0.286 0.000 2.225 73 K HA 0.364 4.683 4.320 -0.002 0.000 0.204 73 K C 0.189 176.716 176.600 -0.122 0.000 1.047 73 K CA 0.615 56.703 56.287 -0.331 0.000 0.970 73 K CB 0.653 32.563 32.500 -0.983 0.000 0.939 73 K HN 0.825 nan 8.250 nan 0.000 0.472 74 E N -0.310 119.806 120.200 -0.140 0.000 2.430 74 E HA 0.417 4.765 4.350 -0.002 0.000 0.279 74 E C -1.331 175.285 176.600 0.026 0.000 1.003 74 E CA -0.691 55.689 56.400 -0.033 0.000 0.801 74 E CB 2.627 32.297 29.700 -0.050 0.000 1.313 74 E HN 0.060 nan 8.360 nan 0.000 0.459 75 I N 2.422 123.012 120.570 0.034 0.000 2.586 75 I HA 0.222 4.390 4.170 -0.002 0.000 0.281 75 I C -0.943 175.124 176.117 -0.083 0.000 1.145 75 I CA -0.479 60.830 61.300 0.014 0.000 1.073 75 I CB 1.189 39.199 38.000 0.017 0.000 1.238 75 I HN 0.427 nan 8.210 nan 0.000 0.461 76 K N 3.890 124.223 120.400 -0.112 0.000 2.466 76 K HA 0.726 5.045 4.320 -0.002 0.000 0.260 76 K C -1.575 174.922 176.600 -0.171 0.000 1.011 76 K CA -0.818 55.404 56.287 -0.107 0.000 0.871 76 K CB 2.247 34.766 32.500 0.032 0.000 1.404 76 K HN 0.031 nan 8.250 nan 0.000 0.450 77 F N 0.871 120.909 119.950 0.147 0.000 2.450 77 F HA 0.466 4.991 4.527 -0.002 0.000 0.332 77 F C -0.177 175.707 175.800 0.139 0.000 1.093 77 F CA -1.116 56.979 58.000 0.159 0.000 1.003 77 F CB 1.425 40.535 39.000 0.183 0.000 1.151 77 F HN 0.252 nan 8.300 nan 0.000 0.474 78 I N 3.902 124.697 120.570 0.376 0.000 2.418 78 I HA 0.373 4.541 4.170 -0.002 0.000 0.287 78 I C -0.643 175.623 176.117 0.249 0.000 1.008 78 I CA -0.766 60.687 61.300 0.255 0.000 1.104 78 I CB 1.361 39.479 38.000 0.195 0.000 1.264 78 I HN 0.277 nan 8.210 nan 0.000 0.438 79 V N 6.281 126.260 119.914 0.108 0.000 2.667 79 V HA 0.832 4.951 4.120 -0.002 0.000 0.308 79 V C -0.428 175.785 176.094 0.199 0.000 1.048 79 V CA 0.086 62.405 62.300 0.032 0.000 0.928 79 V CB 2.232 33.843 31.823 -0.352 0.000 1.004 79 V HN 0.957 nan 8.190 nan 0.000 0.444 80 T N 2.171 116.863 114.554 0.229 0.000 2.792 80 T HA 0.395 4.743 4.350 -0.002 0.000 0.303 80 T C -0.594 174.093 174.700 -0.023 0.000 1.310 80 T CA 0.185 62.351 62.100 0.110 0.000 1.007 80 T CB 1.766 70.667 68.868 0.054 0.000 1.335 80 T HN 0.915 nan 8.240 nan 0.000 0.504 81 D N 0.026 120.100 120.400 -0.543 0.000 2.363 81 D HA 0.246 4.885 4.640 -0.002 0.000 0.214 81 D C 1.452 177.576 176.300 -0.293 0.000 1.093 81 D CA 0.690 54.413 54.000 -0.461 0.000 0.837 81 D CB -0.389 39.955 40.800 -0.760 0.000 0.948 81 D HN 1.135 nan 8.370 nan 0.000 0.507 82 G N 0.758 109.431 108.800 -0.211 0.000 2.180 82 G HA2 -0.403 3.556 3.960 -0.002 0.000 0.263 82 G HA3 -0.403 3.556 3.960 -0.002 0.000 0.263 82 G C 0.882 175.700 174.900 -0.137 0.000 0.989 82 G CA 1.142 46.172 45.100 -0.117 0.000 0.692 82 G HN 0.522 nan 8.290 nan 0.000 0.526 83 K N -1.293 118.985 120.400 -0.204 0.000 2.625 83 K HA 0.249 4.568 4.320 -0.002 0.000 0.202 83 K C 2.419 178.940 176.600 -0.131 0.000 1.412 83 K CA 0.750 56.949 56.287 -0.147 0.000 0.989 83 K CB -0.038 32.381 32.500 -0.134 0.000 1.682 83 K HN 0.411 nan 8.250 nan 0.000 0.496 84 S N 0.604 116.189 115.700 -0.191 0.000 2.891 84 S HA 0.206 4.675 4.470 -0.002 0.000 0.247 84 S C 0.529 175.131 174.600 0.003 0.000 1.063 84 S CA -0.590 57.572 58.200 -0.064 0.000 0.857 84 S CB -0.377 62.847 63.200 0.041 0.000 0.800 84 S HN 0.216 nan 8.310 nan 0.000 0.540 85 F N 1.419 121.413 119.950 0.075 0.000 2.440 85 F HA 0.874 5.400 4.527 -0.002 0.000 0.328 85 F C -0.721 175.132 175.800 0.088 0.000 1.070 85 F CA -1.620 56.434 58.000 0.089 0.000 1.011 85 F CB 1.259 40.335 39.000 0.126 0.000 1.226 85 F HN -0.091 nan 8.300 nan 0.000 0.491 86 V N 2.840 122.971 119.914 0.361 0.000 2.658 86 V HA 0.303 4.421 4.120 -0.002 0.000 0.259 86 V C -2.521 173.722 176.094 0.247 0.000 0.933 86 V CA -1.000 61.444 62.300 0.240 0.000 0.871 86 V CB 0.837 32.714 31.823 0.091 0.000 1.062 86 V HN 0.740 nan 8.190 nan 0.000 0.479 87 P HA 0.373 nan 4.420 nan 0.000 0.294 87 P C -1.159 176.265 177.300 0.208 0.000 1.294 87 P CA -0.107 63.139 63.100 0.243 0.000 0.827 87 P CB 2.046 33.925 31.700 0.299 0.000 0.992 88 D N 2.076 122.587 120.400 0.185 0.000 2.280 88 D HA 0.009 4.648 4.640 -0.002 0.000 0.243 88 D C 1.317 177.742 176.300 0.209 0.000 1.129 88 D CA -0.347 53.759 54.000 0.176 0.000 0.848 88 D CB 1.015 41.897 40.800 0.137 0.000 1.107 88 D HN 0.471 nan 8.370 nan 0.000 0.471 89 E N 1.443 121.792 120.200 0.250 0.000 2.160 89 E HA -0.252 4.096 4.350 -0.002 0.000 0.195 89 E C 1.158 177.873 176.600 0.191 0.000 0.991 89 E CA 1.530 58.098 56.400 0.280 0.000 0.810 89 E CB -0.425 29.475 29.700 0.335 0.000 0.742 89 E HN 0.490 nan 8.360 nan 0.000 0.466 90 T N -0.914 113.735 114.554 0.158 0.000 3.113 90 T HA -0.013 4.335 4.350 -0.002 0.000 0.263 90 T C 1.458 176.218 174.700 0.101 0.000 1.143 90 T CA 0.997 63.168 62.100 0.118 0.000 1.090 90 T CB -0.049 68.881 68.868 0.103 0.000 0.922 90 T HN 0.426 nan 8.240 nan 0.000 0.521 91 K N -0.775 119.691 120.400 0.109 0.000 2.588 91 K HA 0.200 4.518 4.320 -0.002 0.000 0.216 91 K C -0.097 176.553 176.600 0.083 0.000 1.382 91 K CA -0.142 56.198 56.287 0.089 0.000 1.008 91 K CB 0.685 33.237 32.500 0.086 0.000 1.138 91 K HN 0.143 nan 8.250 nan 0.000 0.619 92 D N 1.471 121.936 120.400 0.108 0.000 2.503 92 D HA 0.242 4.880 4.640 -0.002 0.000 0.218 92 D C -0.305 176.034 176.300 0.064 0.000 1.183 92 D CA 0.036 54.093 54.000 0.094 0.000 0.827 92 D CB 1.521 42.405 40.800 0.139 0.000 1.034 92 D HN 0.291 nan 8.370 nan 0.000 0.510 93 A N 0.729 123.587 122.820 0.064 0.000 2.435 93 A HA 0.579 4.897 4.320 -0.002 0.000 0.304 93 A C -0.754 176.831 177.584 0.002 0.000 1.064 93 A CA -0.563 51.474 52.037 0.001 0.000 0.727 93 A CB 1.703 20.736 19.000 0.055 0.000 1.284 93 A HN -0.048 nan 8.150 nan 0.000 0.415 94 I N 1.863 122.412 120.570 -0.035 0.000 2.352 94 I HA 0.300 4.469 4.170 -0.002 0.000 0.290 94 I C 0.702 176.816 176.117 -0.004 0.000 1.036 94 I CA 0.250 61.539 61.300 -0.018 0.000 1.336 94 I CB 1.002 38.981 38.000 -0.035 0.000 1.407 94 I HN 0.556 nan 8.210 nan 0.000 0.497 95 S N 7.199 122.909 115.700 0.017 0.000 2.462 95 S HA 0.468 4.937 4.470 -0.002 0.000 0.294 95 S C -0.377 174.238 174.600 0.026 0.000 1.144 95 S CA -0.705 57.513 58.200 0.030 0.000 1.088 95 S CB 0.568 63.796 63.200 0.046 0.000 1.009 95 S HN 0.357 nan 8.310 nan 0.000 0.484 96 K N 3.183 123.601 120.400 0.031 0.000 2.292 96 K HA 0.521 4.840 4.320 -0.002 0.000 0.257 96 K C -0.971 175.662 176.600 0.056 0.000 0.940 96 K CA -0.606 55.701 56.287 0.034 0.000 0.811 96 K CB 1.703 34.217 32.500 0.025 0.000 1.120 96 K HN 0.440 nan 8.250 nan 0.000 0.428 97 V N 2.150 122.102 119.914 0.064 0.000 2.815 97 V HA 0.599 4.718 4.120 -0.002 0.000 0.314 97 V C -1.182 174.980 176.094 0.113 0.000 1.064 97 V CA -0.422 61.938 62.300 0.099 0.000 0.952 97 V CB 1.802 33.679 31.823 0.090 0.000 1.020 97 V HN 0.938 nan 8.190 nan 0.000 0.439 98 E N 4.148 124.438 120.200 0.150 0.000 2.375 98 E HA 0.494 4.843 4.350 -0.002 0.000 0.280 98 E C -1.821 174.828 176.600 0.082 0.000 0.972 98 E CA -1.078 55.388 56.400 0.110 0.000 0.782 98 E CB 1.829 31.582 29.700 0.088 0.000 1.229 98 E HN 0.546 nan 8.360 nan 0.000 0.439 99 K N 1.619 121.999 120.400 -0.033 0.000 2.098 99 K HA 0.306 4.624 4.320 -0.002 0.000 0.257 99 K C 0.428 177.004 176.600 -0.040 0.000 0.999 99 K CA -0.570 55.561 56.287 -0.260 0.000 0.924 99 K CB 0.812 33.094 32.500 -0.364 0.000 1.028 99 K HN 0.479 nan 8.250 nan 0.000 0.466 100 F N 0.769 120.657 119.950 -0.105 0.000 2.120 100 F HA -0.241 4.284 4.527 -0.002 0.000 0.300 100 F C 1.606 177.373 175.800 -0.055 0.000 1.095 100 F CA 0.801 58.766 58.000 -0.057 0.000 1.249 100 F CB -0.007 38.955 39.000 -0.063 0.000 0.995 100 F HN 0.618 nan 8.300 nan 0.000 0.480 101 T N -4.700 109.919 114.554 0.108 0.000 2.792 101 T HA 0.186 4.535 4.350 -0.002 0.000 0.303 101 T C -0.190 174.493 174.700 -0.028 0.000 1.310 101 T CA -0.850 61.271 62.100 0.035 0.000 1.007 101 T CB 1.605 70.491 68.868 0.031 0.000 1.335 101 T HN -0.243 nan 8.240 nan 0.000 0.504 102 D N 0.197 120.580 120.400 -0.029 0.000 2.378 102 D HA 0.077 4.716 4.640 -0.002 0.000 0.222 102 D C 0.783 177.040 176.300 -0.072 0.000 0.980 102 D CA 0.927 54.907 54.000 -0.033 0.000 0.907 102 D CB 0.110 40.909 40.800 -0.001 0.000 0.899 102 D HN 0.512 nan 8.370 nan 0.000 0.527 103 K N -0.311 120.034 120.400 -0.093 0.000 2.758 103 K HA 0.199 4.518 4.320 -0.002 0.000 0.208 103 K C -0.525 176.066 176.600 -0.014 0.000 1.091 103 K CA -0.178 56.050 56.287 -0.097 0.000 1.059 103 K CB 0.972 33.370 32.500 -0.171 0.000 0.801 103 K HN -0.040 nan 8.250 nan 0.000 0.470 104 S N -0.776 114.867 115.700 -0.096 0.000 2.537 104 S HA 0.392 4.861 4.470 -0.002 0.000 0.270 104 S C -0.269 174.079 174.600 -0.420 0.000 1.142 104 S CA -0.940 57.180 58.200 -0.132 0.000 0.870 104 S CB 1.081 64.340 63.200 0.097 0.000 1.112 104 S HN 0.143 nan 8.310 nan 0.000 0.466 105 L N 2.173 122.980 121.223 -0.693 0.000 2.990 105 L HA 0.425 4.764 4.340 -0.002 0.000 0.231 105 L C 0.828 177.584 176.870 -0.191 0.000 1.341 105 L CA -0.325 54.145 54.840 -0.616 0.000 1.208 105 L CB -0.355 41.277 42.059 -0.712 0.000 1.571 105 L HN 0.946 nan 8.230 nan 0.000 0.453 106 G N -0.685 107.836 108.800 -0.465 0.000 2.400 106 G HA2 0.566 4.525 3.960 -0.002 0.000 0.333 106 G HA3 0.566 4.525 3.960 -0.002 0.000 0.333 106 G C -1.568 172.349 174.900 -1.638 0.000 1.143 106 G CA -0.200 44.368 45.100 -0.886 0.000 0.914 106 G HN 0.057 nan 8.290 nan 0.000 0.480 107 Y N -0.171 119.496 120.300 -1.054 0.000 2.499 107 Y HA 0.562 5.111 4.550 -0.002 0.000 0.347 107 Y C 0.271 176.088 175.900 -0.138 0.000 0.987 107 Y CA -0.945 56.863 58.100 -0.487 0.000 1.044 107 Y CB 2.923 41.323 38.460 -0.100 0.000 1.245 107 Y HN 0.454 nan 8.280 nan 0.000 0.461 108 K N 3.541 124.078 120.400 0.228 0.000 2.413 108 K HA 0.654 4.973 4.320 -0.002 0.000 0.257 108 K C -1.998 174.723 176.600 0.202 0.000 0.946 108 K CA -0.395 56.070 56.287 0.298 0.000 0.823 108 K CB 0.891 33.581 32.500 0.317 0.000 1.109 108 K HN 0.741 nan 8.250 nan 0.000 0.427 109 L N 4.189 125.513 121.223 0.169 0.000 2.346 109 L HA 0.518 4.857 4.340 -0.002 0.000 0.276 109 L C -0.958 175.972 176.870 0.100 0.000 1.006 109 L CA -1.225 53.689 54.840 0.123 0.000 0.817 109 L CB 2.143 44.271 42.059 0.114 0.000 1.272 109 L HN 0.352 nan 8.230 nan 0.000 0.421 110 V N 2.680 122.638 119.914 0.073 0.000 2.380 110 V HA 0.361 4.480 4.120 -0.002 0.000 0.286 110 V C -0.668 175.445 176.094 0.031 0.000 1.015 110 V CA -0.772 61.555 62.300 0.044 0.000 0.834 110 V CB 1.468 33.307 31.823 0.026 0.000 1.009 110 V HN 0.641 nan 8.190 nan 0.000 0.428 111 N N 2.862 121.585 118.700 0.039 0.000 2.469 111 N HA 0.437 5.176 4.740 -0.002 0.000 0.253 111 N C -0.254 175.226 175.510 -0.050 0.000 0.970 111 N CA -0.278 52.791 53.050 0.032 0.000 0.940 111 N CB 1.858 40.414 38.487 0.114 0.000 1.128 111 N HN 0.540 nan 8.380 nan 0.000 0.503 112 T N 0.539 115.026 114.554 -0.111 0.000 2.756 112 T HA 0.086 4.435 4.350 -0.002 0.000 0.290 112 T C 0.010 174.512 174.700 -0.329 0.000 0.985 112 T CA -0.602 61.359 62.100 -0.232 0.000 0.955 112 T CB 0.952 69.721 68.868 -0.166 0.000 0.930 112 T HN 0.365 nan 8.240 nan 0.000 0.451 113 D N 2.415 122.407 120.400 -0.680 0.000 2.629 113 D HA -0.065 4.574 4.640 -0.002 0.000 0.228 113 D C 1.139 177.230 176.300 -0.349 0.000 1.127 113 D CA 0.546 54.101 54.000 -0.742 0.000 0.855 113 D CB 0.797 40.777 40.800 -1.367 0.000 1.180 113 D HN 0.390 nan 8.370 nan 0.000 0.484 114 K N 2.069 122.347 120.400 -0.204 0.000 2.209 114 K HA -0.117 4.201 4.320 -0.002 0.000 0.204 114 K C 1.167 177.691 176.600 -0.127 0.000 1.048 114 K CA 1.006 57.218 56.287 -0.125 0.000 0.940 114 K CB 0.084 32.545 32.500 -0.066 0.000 0.729 114 K HN 0.404 nan 8.250 nan 0.000 0.451 115 K N -0.109 120.195 120.400 -0.159 0.000 2.410 115 K HA 0.077 4.396 4.320 -0.002 0.000 0.200 115 K C 0.382 176.893 176.600 -0.148 0.000 1.023 115 K CA 0.236 56.442 56.287 -0.136 0.000 1.149 115 K CB 0.768 33.183 32.500 -0.142 0.000 0.859 115 K HN 0.249 nan 8.250 nan 0.000 0.514 116 G N 2.205 110.887 108.800 -0.197 0.000 2.341 116 G HA2 -0.334 3.624 3.960 -0.002 0.000 0.292 116 G HA3 -0.334 3.624 3.960 -0.002 0.000 0.292 116 G C 0.626 175.432 174.900 -0.158 0.000 1.021 116 G CA 0.667 45.657 45.100 -0.184 0.000 0.905 116 G HN 0.415 nan 8.290 nan 0.000 0.508 117 R N -1.430 118.949 120.500 -0.203 0.000 2.146 117 R HA 0.301 4.640 4.340 -0.002 0.000 0.206 117 R C 0.988 177.189 176.300 -0.165 0.000 1.049 117 R CA 1.302 57.369 56.100 -0.055 0.000 1.029 117 R CB 0.289 30.629 30.300 0.066 0.000 0.949 117 R HN 0.762 nan 8.270 nan 0.000 0.471 118 Y N -1.465 118.633 120.300 -0.337 0.000 2.638 118 Y HA 0.630 5.179 4.550 -0.002 0.000 0.339 118 Y C -1.037 174.621 175.900 -0.404 0.000 1.084 118 Y CA -1.823 55.955 58.100 -0.538 0.000 1.068 118 Y CB 1.221 39.332 38.460 -0.582 0.000 1.294 118 Y HN -0.317 nan 8.280 nan 0.000 0.480 119 R N 2.357 122.622 120.500 -0.391 0.000 2.533 119 R HA 0.646 4.985 4.340 -0.002 0.000 0.288 119 R C -2.290 173.896 176.300 -0.190 0.000 1.039 119 R CA -0.578 55.366 56.100 -0.261 0.000 0.909 119 R CB 1.465 31.626 30.300 -0.232 0.000 1.195 119 R HN 0.956 nan 8.270 nan 0.000 0.438 120 I N 3.459 124.019 120.570 -0.016 0.000 2.389 120 I HA 0.304 4.473 4.170 -0.002 0.000 0.288 120 I C -0.441 175.698 176.117 0.036 0.000 0.999 120 I CA -0.694 60.626 61.300 0.032 0.000 1.129 120 I CB 2.411 40.502 38.000 0.150 0.000 1.288 120 I HN 0.526 nan 8.210 nan 0.000 0.444 121 T N 6.090 120.650 114.554 0.009 0.000 2.797 121 T HA 0.505 4.853 4.350 -0.002 0.000 0.279 121 T C -0.458 174.265 174.700 0.039 0.000 0.991 121 T CA -0.844 61.273 62.100 0.029 0.000 0.979 121 T CB 1.478 70.350 68.868 0.006 0.000 0.943 121 T HN 0.438 nan 8.240 nan 0.000 0.444 122 K N 1.950 122.404 120.400 0.090 0.000 2.385 122 K HA 0.651 4.970 4.320 -0.002 0.000 0.248 122 K C -1.501 175.205 176.600 0.176 0.000 0.955 122 K CA -1.091 55.258 56.287 0.104 0.000 0.816 122 K CB 1.685 34.265 32.500 0.133 0.000 1.250 122 K HN 0.345 nan 8.250 nan 0.000 0.434 123 D N 1.800 122.327 120.400 0.212 0.000 2.549 123 D HA 0.452 5.091 4.640 -0.002 0.000 0.251 123 D C -0.997 175.536 176.300 0.389 0.000 1.153 123 D CA -0.272 53.999 54.000 0.451 0.000 0.861 123 D CB 1.131 42.232 40.800 0.501 0.000 1.207 123 D HN 0.318 nan 8.370 nan 0.000 0.543 124 I N 3.531 124.316 120.570 0.358 0.000 2.545 124 I HA 0.645 4.813 4.170 -0.002 0.000 0.292 124 I C -0.672 175.406 176.117 -0.064 0.000 1.040 124 I CA -0.997 60.286 61.300 -0.027 0.000 1.068 124 I CB 1.195 39.060 38.000 -0.224 0.000 1.251 124 I HN 0.323 nan 8.210 nan 0.000 0.424 125 F N 1.876 121.522 119.950 -0.507 0.000 3.031 125 F HA 0.629 5.155 4.527 -0.002 0.000 0.326 125 F C -0.791 174.715 175.800 -0.490 0.000 1.143 125 F CA -0.918 56.653 58.000 -0.714 0.000 0.871 125 F CB 0.845 39.276 39.000 -0.948 0.000 1.377 125 F HN 0.428 nan 8.300 nan 0.000 0.462 126 T N -2.075 112.354 114.554 -0.208 0.000 2.938 126 T HA 0.428 4.777 4.350 -0.002 0.000 0.285 126 T C -1.299 173.523 174.700 0.203 0.000 1.028 126 T CA -0.641 61.460 62.100 0.002 0.000 1.005 126 T CB 1.761 70.770 68.868 0.234 0.000 1.157 126 T HN 0.815 nan 8.240 nan 0.000 0.550 127 D N 1.224 121.703 120.400 0.132 0.000 2.339 127 D HA 0.130 4.769 4.640 -0.002 0.000 0.241 127 D C 1.723 178.126 176.300 0.172 0.000 1.183 127 D CA -0.545 53.551 54.000 0.159 0.000 0.859 127 D CB 1.326 42.173 40.800 0.079 0.000 1.067 127 D HN 0.508 nan 8.370 nan 0.000 0.484 128 V N 2.566 122.601 119.914 0.201 0.000 2.688 128 V HA -0.157 3.962 4.120 -0.002 0.000 0.256 128 V C 1.567 177.688 176.094 0.044 0.000 1.084 128 V CA 1.250 63.616 62.300 0.110 0.000 1.103 128 V CB -0.522 31.344 31.823 0.071 0.000 0.688 128 V HN 0.396 nan 8.190 nan 0.000 0.480 129 K N -0.054 120.380 120.400 0.056 0.000 2.348 129 K HA 0.305 4.624 4.320 -0.002 0.000 0.194 129 K C 0.636 177.263 176.600 0.044 0.000 1.052 129 K CA 0.169 56.478 56.287 0.037 0.000 1.004 129 K CB 0.394 32.915 32.500 0.035 0.000 0.873 129 K HN 0.531 nan 8.250 nan 0.000 0.523 130 R N 0.323 120.857 120.500 0.057 0.000 2.855 130 R HA 0.294 4.633 4.340 -0.002 0.000 0.266 130 R C -0.815 175.532 176.300 0.079 0.000 1.034 130 R CA -0.956 55.182 56.100 0.064 0.000 0.944 130 R CB 0.648 30.980 30.300 0.054 0.000 1.219 130 R HN -0.126 nan 8.270 nan 0.000 0.474 131 N N 1.567 120.328 118.700 0.101 0.000 3.050 131 N HA 0.076 4.815 4.740 -0.002 0.000 0.289 131 N C -1.042 174.568 175.510 0.168 0.000 1.209 131 N CA 0.109 53.238 53.050 0.132 0.000 1.154 131 N CB 0.439 39.027 38.487 0.168 0.000 1.444 131 N HN 0.577 nan 8.380 nan 0.000 0.529 132 S N -0.230 115.553 115.700 0.139 0.000 2.556 132 S HA 0.533 5.001 4.470 -0.002 0.000 0.271 132 S C -0.938 173.709 174.600 0.078 0.000 1.135 132 S CA -1.017 57.260 58.200 0.129 0.000 0.858 132 S CB 2.071 65.290 63.200 0.032 0.000 1.114 132 S HN 0.166 nan 8.310 nan 0.000 0.468 133 L N 1.988 123.250 121.223 0.064 0.000 2.309 133 L HA 0.744 5.083 4.340 -0.002 0.000 0.282 133 L C -1.277 175.474 176.870 -0.198 0.000 1.036 133 L CA -0.764 54.042 54.840 -0.056 0.000 0.806 133 L CB 0.812 42.897 42.059 0.042 0.000 1.220 133 L HN 0.824 nan 8.230 nan 0.000 0.429 134 I N 5.581 125.905 120.570 -0.410 0.000 2.509 134 I HA 0.518 4.687 4.170 -0.002 0.000 0.293 134 I C -0.489 175.373 176.117 -0.424 0.000 1.020 134 I CA -0.415 60.614 61.300 -0.451 0.000 1.088 134 I CB 1.865 39.432 38.000 -0.722 0.000 1.267 134 I HN 0.645 nan 8.210 nan 0.000 0.430 135 M N 6.854 126.319 119.600 -0.225 0.000 2.149 135 M HA 0.381 4.859 4.480 -0.002 0.000 0.273 135 M C -1.463 174.765 176.300 -0.121 0.000 0.972 135 M CA -0.589 54.630 55.300 -0.135 0.000 0.984 135 M CB 1.329 33.874 32.600 -0.092 0.000 1.699 135 M HN 0.541 nan 8.290 nan 0.000 0.462 136 K N 3.684 124.028 120.400 -0.094 0.000 2.172 136 K HA 0.817 5.135 4.320 -0.002 0.000 0.276 136 K C -1.424 175.020 176.600 -0.260 0.000 1.013 136 K CA -0.169 55.962 56.287 -0.260 0.000 0.913 136 K CB 1.319 33.584 32.500 -0.391 0.000 1.055 136 K HN 0.763 nan 8.250 nan 0.000 0.461 137 A N 3.848 126.357 122.820 -0.519 0.000 2.515 137 A HA 0.546 4.865 4.320 -0.002 0.000 0.298 137 A C -1.717 175.552 177.584 -0.526 0.000 1.059 137 A CA -0.985 50.762 52.037 -0.484 0.000 0.698 137 A CB 1.258 19.978 19.000 -0.466 0.000 1.289 137 A HN 0.807 nan 8.150 nan 0.000 0.404 138 K N 0.782 121.060 120.400 -0.204 0.000 2.468 138 K HA 0.703 5.022 4.320 -0.002 0.000 0.252 138 K C -1.748 174.882 176.600 0.051 0.000 0.932 138 K CA -0.471 55.794 56.287 -0.036 0.000 0.794 138 K CB 1.985 34.462 32.500 -0.038 0.000 1.241 138 K HN 0.515 nan 8.250 nan 0.000 0.428 139 F N 2.080 122.026 119.950 -0.007 0.000 2.420 139 F HA 0.387 4.912 4.527 -0.002 0.000 0.342 139 F C -0.793 175.001 175.800 -0.010 0.000 1.113 139 F CA -0.212 57.770 58.000 -0.031 0.000 1.059 139 F CB 1.584 40.551 39.000 -0.055 0.000 1.128 139 F HN 0.648 nan 8.300 nan 0.000 0.475 140 E N 4.046 123.807 120.200 -0.731 0.000 2.248 140 E HA 0.592 4.941 4.350 -0.002 0.000 0.267 140 E C -1.309 174.875 176.600 -0.694 0.000 0.877 140 E CA -1.310 54.810 56.400 -0.468 0.000 0.759 140 E CB 1.937 31.482 29.700 -0.258 0.000 1.182 140 E HN 0.688 nan 8.360 nan 0.000 0.418 141 A N 3.974 126.639 122.820 -0.259 0.000 2.294 141 A HA 0.261 4.580 4.320 -0.002 0.000 0.316 141 A C 0.827 178.390 177.584 -0.036 0.000 1.359 141 A CA -0.342 51.642 52.037 -0.089 0.000 0.956 141 A CB -0.104 19.100 19.000 0.340 0.000 1.155 141 A HN 0.748 nan 8.150 nan 0.000 0.544 142 L N 1.243 122.405 121.223 -0.101 0.000 2.141 142 L HA -0.023 4.316 4.340 -0.002 0.000 0.209 142 L C 1.180 178.067 176.870 0.028 0.000 1.094 142 L CA 1.266 56.071 54.840 -0.059 0.000 0.763 142 L CB -0.185 41.805 42.059 -0.115 0.000 0.908 142 L HN 0.905 nan 8.230 nan 0.000 0.437 143 E N -0.769 119.499 120.200 0.113 0.000 2.331 143 E HA 0.535 4.884 4.350 -0.002 0.000 0.275 143 E C -0.114 176.649 176.600 0.272 0.000 0.895 143 E CA -0.263 56.230 56.400 0.155 0.000 0.753 143 E CB 2.308 32.083 29.700 0.125 0.000 1.216 143 E HN 0.053 nan 8.360 nan 0.000 0.434 144 G N 1.367 110.281 108.800 0.190 0.000 2.632 144 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.224 144 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.224 144 G C -0.506 174.517 174.900 0.204 0.000 1.341 144 G CA -0.221 44.983 45.100 0.173 0.000 0.880 144 G HN 0.890 nan 8.290 nan 0.000 0.566 145 S N -1.393 114.410 115.700 0.171 0.000 2.549 145 S HA 0.582 5.051 4.470 -0.002 0.000 0.297 145 S C 1.648 176.446 174.600 0.331 0.000 1.115 145 S CA 0.266 58.601 58.200 0.225 0.000 1.059 145 S CB 1.349 64.650 63.200 0.169 0.000 1.046 145 S HN 1.420 nan 8.310 nan 0.000 0.506 146 I N 3.025 123.823 120.570 0.381 0.000 2.423 146 I HA -0.184 3.985 4.170 -0.002 0.000 0.254 146 I C 1.241 177.490 176.117 0.220 0.000 1.151 146 I CA 1.682 63.232 61.300 0.416 0.000 1.421 146 I CB -0.122 38.032 38.000 0.257 0.000 1.079 146 I HN 0.825 nan 8.210 nan 0.000 0.431 147 H N 0.648 119.777 119.070 0.100 0.000 2.545 147 H HA -0.072 4.482 4.556 -0.002 0.000 0.282 147 H C 1.234 176.529 175.328 -0.056 0.000 1.020 147 H CA 1.165 57.220 56.048 0.011 0.000 1.243 147 H CB -0.207 29.553 29.762 -0.003 0.000 1.377 147 H HN 0.430 nan 8.280 nan 0.000 0.581 148 D N -0.563 119.826 120.400 -0.018 0.000 2.340 148 D HA -0.021 4.617 4.640 -0.002 0.000 0.220 148 D C -0.393 175.626 176.300 -0.467 0.000 1.039 148 D CA 0.399 54.233 54.000 -0.278 0.000 0.866 148 D CB 0.244 40.795 40.800 -0.414 0.000 0.913 148 D HN 0.340 nan 8.370 nan 0.000 0.523 149 Y N 0.270 120.596 120.300 0.043 0.000 2.509 149 Y HA 0.477 5.026 4.550 -0.002 0.000 0.341 149 Y C 0.226 175.987 175.900 -0.231 0.000 1.038 149 Y CA -1.040 57.038 58.100 -0.037 0.000 1.089 149 Y CB 1.425 39.932 38.460 0.078 0.000 1.241 149 Y HN -0.466 nan 8.280 nan 0.000 0.468 150 K N 1.877 122.232 120.400 -0.075 0.000 2.345 150 K HA 0.576 4.895 4.320 -0.002 0.000 0.255 150 K C -1.785 174.558 176.600 -0.427 0.000 0.934 150 K CA -0.550 55.570 56.287 -0.278 0.000 0.801 150 K CB 1.818 34.257 32.500 -0.101 0.000 1.137 150 K HN 0.464 nan 8.250 nan 0.000 0.424 151 L N 4.111 124.928 121.223 -0.677 0.000 2.313 151 L HA 0.515 4.854 4.340 -0.002 0.000 0.283 151 L C -1.734 174.821 176.870 -0.524 0.000 1.013 151 L CA -0.275 54.246 54.840 -0.533 0.000 0.816 151 L CB 0.479 42.177 42.059 -0.602 0.000 1.236 151 L HN 0.542 nan 8.230 nan 0.000 0.419 152 Y N 4.733 125.079 120.300 0.076 0.000 2.446 152 Y HA 0.638 5.187 4.550 -0.002 0.000 0.345 152 Y C -0.620 175.455 175.900 0.291 0.000 0.984 152 Y CA -0.900 57.283 58.100 0.138 0.000 1.058 152 Y CB 1.937 40.430 38.460 0.056 0.000 1.220 152 Y HN 0.494 nan 8.280 nan 0.000 0.455 153 L N 2.630 124.061 121.223 0.346 0.000 2.317 153 L HA 0.901 5.240 4.340 -0.002 0.000 0.281 153 L C -0.736 176.166 176.870 0.054 0.000 1.024 153 L CA -0.623 54.308 54.840 0.150 0.000 0.810 153 L CB 1.352 43.489 42.059 0.131 0.000 1.240 153 L HN 0.722 nan 8.230 nan 0.000 0.427 154 A N 4.497 127.319 122.820 0.004 0.000 2.323 154 A HA 0.453 4.772 4.320 -0.002 0.000 0.305 154 A C -1.760 175.840 177.584 0.027 0.000 1.275 154 A CA -0.406 51.641 52.037 0.016 0.000 0.804 154 A CB 0.208 19.229 19.000 0.035 0.000 1.152 154 A HN 0.628 nan 8.150 nan 0.000 0.487 155 Y N 2.515 122.742 120.300 -0.123 0.000 2.341 155 Y HA 0.515 5.064 4.550 -0.002 0.000 0.340 155 Y C -0.658 175.169 175.900 -0.122 0.000 0.997 155 Y CA -1.114 56.908 58.100 -0.130 0.000 1.149 155 Y CB 1.250 39.619 38.460 -0.151 0.000 1.171 155 Y HN 0.577 nan 8.280 nan 0.000 0.494 156 D N 9.565 129.681 120.400 -0.473 0.000 2.477 156 D HA 0.276 4.915 4.640 -0.002 0.000 0.239 156 D C -2.972 172.886 176.300 -0.737 0.000 1.102 156 D CA -2.183 51.489 54.000 -0.547 0.000 0.901 156 D CB 1.262 41.822 40.800 -0.400 0.000 1.026 156 D HN 0.320 nan 8.370 nan 0.000 0.515 157 P HA 0.157 nan 4.420 nan 0.000 0.275 157 P C -0.497 176.772 177.300 -0.050 0.000 1.228 157 P CA -0.118 62.649 63.100 -0.555 0.000 0.786 157 P CB 0.948 32.323 31.700 -0.541 0.000 0.927 158 H N 1.810 120.786 119.070 -0.156 0.000 2.825 158 H HA 0.294 4.848 4.556 -0.002 0.000 0.226 158 H C 0.240 175.618 175.328 0.083 0.000 1.414 158 H CA -0.601 55.376 56.048 -0.120 0.000 1.198 158 H CB 0.199 29.779 29.762 -0.305 0.000 2.013 158 H HN 0.294 nan 8.280 nan 0.000 0.530 159 I N 2.144 122.816 120.570 0.170 0.000 2.826 159 I HA -0.189 3.980 4.170 -0.002 0.000 0.295 159 I C 0.545 176.779 176.117 0.195 0.000 1.213 159 I CA 0.786 62.202 61.300 0.192 0.000 1.436 159 I CB 0.228 38.302 38.000 0.123 0.000 1.348 159 I HN 0.441 nan 8.210 nan 0.000 0.570 160 K N 5.653 126.185 120.400 0.220 0.000 3.244 160 K HA -0.220 4.099 4.320 -0.002 0.000 0.270 160 K C -0.052 176.684 176.600 0.226 0.000 1.016 160 K CA 0.377 56.776 56.287 0.187 0.000 0.754 160 K CB -1.288 31.292 32.500 0.133 0.000 1.326 160 K HN 0.834 nan 8.250 nan 0.000 0.465 161 N N -0.313 118.584 118.700 0.329 0.000 2.725 161 N HA -0.218 4.521 4.740 -0.002 0.000 0.249 161 N C -0.372 175.480 175.510 0.571 0.000 1.103 161 N CA 2.086 55.430 53.050 0.490 0.000 0.707 161 N CB -0.788 37.909 38.487 0.350 0.000 1.043 161 N HN 0.883 nan 8.380 nan 0.000 0.553 162 Q N -2.809 117.203 119.800 0.354 0.000 2.327 162 Q HA 0.589 4.927 4.340 -0.002 0.000 0.265 162 Q C 0.607 176.463 176.000 -0.240 0.000 0.993 162 Q CA -0.388 55.462 55.803 0.078 0.000 0.885 162 Q CB 0.951 29.744 28.738 0.091 0.000 1.379 162 Q HN -0.082 nan 8.270 nan 0.000 0.408 163 G N 1.711 110.082 108.800 -0.714 0.000 2.426 163 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.214 163 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.214 163 G C 0.577 175.236 174.900 -0.401 0.000 1.156 163 G CA 0.566 45.030 45.100 -1.060 0.000 0.802 163 G HN 0.804 nan 8.290 nan 0.000 0.534 164 S N -1.469 114.092 115.700 -0.231 0.000 2.584 164 S HA 0.200 4.669 4.470 -0.002 0.000 0.270 164 S C 0.371 175.022 174.600 0.084 0.000 1.346 164 S CA -0.221 57.950 58.200 -0.047 0.000 1.018 164 S CB 0.580 63.775 63.200 -0.009 0.000 0.899 164 S HN 0.858 nan 8.310 nan 0.000 0.542 165 Y N 0.575 120.853 120.300 -0.037 0.000 3.305 165 Y HA -0.254 4.295 4.550 -0.002 0.000 0.212 165 Y C -0.264 175.628 175.900 -0.014 0.000 1.248 165 Y CA 0.569 58.663 58.100 -0.011 0.000 1.359 165 Y CB -1.977 36.476 38.460 -0.012 0.000 1.407 165 Y HN 0.835 nan 8.280 nan 0.000 0.572 166 N N 1.731 120.398 118.700 -0.055 0.000 2.499 166 N HA 0.173 4.912 4.740 -0.002 0.000 0.281 166 N C -0.308 175.111 175.510 -0.151 0.000 1.098 166 N CA -0.485 52.511 53.050 -0.089 0.000 0.979 166 N CB 0.861 39.299 38.487 -0.082 0.000 1.121 166 N HN 0.400 nan 8.380 nan 0.000 0.466 167 E N 0.919 121.036 120.200 -0.139 0.000 2.174 167 E HA 0.409 4.758 4.350 -0.002 0.000 0.282 167 E C -0.733 175.865 176.600 -0.004 0.000 0.992 167 E CA -0.783 55.561 56.400 -0.093 0.000 0.803 167 E CB 1.023 30.680 29.700 -0.070 0.000 1.090 167 E HN 0.645 nan 8.360 nan 0.000 0.396 168 G N 3.383 112.185 108.800 0.003 0.000 2.542 168 G HA2 0.598 4.557 3.960 -0.002 0.000 0.311 168 G HA3 0.598 4.557 3.960 -0.002 0.000 0.311 168 G C -1.587 173.363 174.900 0.084 0.000 1.298 168 G CA -0.516 44.556 45.100 -0.048 0.000 0.973 168 G HN 0.564 nan 8.290 nan 0.000 0.487 169 Y N -1.468 118.752 120.300 -0.134 0.000 2.788 169 Y HA 0.731 5.280 4.550 -0.002 0.000 0.335 169 Y C -1.280 174.470 175.900 -0.250 0.000 1.287 169 Y CA -1.600 56.395 58.100 -0.174 0.000 1.068 169 Y CB 1.121 39.481 38.460 -0.166 0.000 1.340 169 Y HN 0.492 nan 8.280 nan 0.000 0.449 170 V N 2.912 122.680 119.914 -0.244 0.000 2.604 170 V HA 0.686 4.805 4.120 -0.002 0.000 0.305 170 V C -0.084 175.619 176.094 -0.651 0.000 1.043 170 V CA -0.596 61.408 62.300 -0.493 0.000 0.888 170 V CB 1.442 32.865 31.823 -0.667 0.000 0.995 170 V HN 0.864 nan 8.190 nan 0.000 0.429 171 I N 0.768 121.108 120.570 -0.384 0.000 3.457 171 I HA 0.791 4.959 4.170 -0.002 0.000 0.307 171 I C -0.881 175.271 176.117 0.058 0.000 1.138 171 I CA -1.219 59.946 61.300 -0.226 0.000 0.974 171 I CB 2.526 40.499 38.000 -0.045 0.000 1.324 171 I HN 0.507 nan 8.210 nan 0.000 0.485 172 K N 1.564 122.067 120.400 0.171 0.000 2.637 172 K HA 0.713 5.032 4.320 -0.002 0.000 0.248 172 K C -1.492 175.173 176.600 0.108 0.000 0.971 172 K CA -0.491 55.908 56.287 0.187 0.000 0.858 172 K CB 1.906 34.572 32.500 0.277 0.000 1.170 172 K HN 0.831 nan 8.250 nan 0.000 0.443 173 A N 3.935 126.796 122.820 0.067 0.000 2.253 173 A HA 0.384 4.703 4.320 -0.002 0.000 0.316 173 A C -0.453 177.152 177.584 0.034 0.000 1.327 173 A CA -0.363 51.698 52.037 0.041 0.000 0.917 173 A CB 0.046 19.058 19.000 0.020 0.000 1.162 173 A HN 0.918 nan 8.150 nan 0.000 0.535 174 N N 2.568 121.288 118.700 0.033 0.000 2.714 174 N HA -0.173 4.566 4.740 -0.002 0.000 0.253 174 N C -0.091 175.434 175.510 0.025 0.000 1.024 174 N CA 1.308 54.372 53.050 0.024 0.000 0.726 174 N CB -1.315 37.181 38.487 0.014 0.000 0.908 174 N HN 0.792 nan 8.380 nan 0.000 0.542 175 N N -1.695 117.028 118.700 0.038 0.000 2.725 175 N HA -0.235 4.503 4.740 -0.002 0.000 0.249 175 N C -0.867 174.664 175.510 0.036 0.000 1.103 175 N CA 0.821 53.893 53.050 0.037 0.000 0.707 175 N CB -0.946 37.552 38.487 0.018 0.000 1.043 175 N HN 0.644 nan 8.380 nan 0.000 0.553 176 N N 1.160 119.888 118.700 0.047 0.000 2.524 176 N HA 0.117 4.855 4.740 -0.002 0.000 0.261 176 N C -0.924 174.636 175.510 0.083 0.000 0.998 176 N CA -0.154 52.917 53.050 0.036 0.000 0.915 176 N CB 0.854 39.346 38.487 0.008 0.000 1.187 176 N HN 0.095 nan 8.380 nan 0.000 0.507 177 E N 3.316 123.595 120.200 0.130 0.000 2.292 177 E HA 0.086 4.435 4.350 -0.002 0.000 0.265 177 E C -0.178 176.582 176.600 0.267 0.000 1.093 177 E CA 0.472 57.005 56.400 0.223 0.000 0.922 177 E CB 0.739 30.652 29.700 0.355 0.000 1.001 177 E HN 0.437 nan 8.360 nan 0.000 0.444 178 M N 3.488 123.167 119.600 0.131 0.000 2.311 178 M HA 0.267 4.746 4.480 -0.002 0.000 0.325 178 M C -0.994 175.254 176.300 -0.087 0.000 1.061 178 M CA -1.202 54.156 55.300 0.096 0.000 0.957 178 M CB 1.357 33.964 32.600 0.012 0.000 1.646 178 M HN 0.183 nan 8.290 nan 0.000 0.434 179 L N 4.450 125.596 121.223 -0.128 0.000 2.278 179 L HA 0.371 4.710 4.340 -0.002 0.000 0.287 179 L C -0.198 176.492 176.870 -0.298 0.000 1.072 179 L CA 0.411 55.080 54.840 -0.285 0.000 0.819 179 L CB 0.304 42.168 42.059 -0.324 0.000 1.176 179 L HN 0.595 nan 8.230 nan 0.000 0.435 180 M N 3.036 122.359 119.600 -0.461 0.000 2.478 180 M HA 0.780 5.259 4.480 -0.002 0.000 0.327 180 M C -0.117 175.853 176.300 -0.549 0.000 1.187 180 M CA -0.634 54.310 55.300 -0.594 0.000 1.022 180 M CB 1.606 33.562 32.600 -1.073 0.000 1.629 180 M HN 0.604 nan 8.290 nan 0.000 0.461 181 A N 2.620 125.246 122.820 -0.324 0.000 2.488 181 A HA 0.830 5.148 4.320 -0.002 0.000 0.298 181 A C -1.073 176.434 177.584 -0.128 0.000 1.044 181 A CA -0.800 51.136 52.037 -0.169 0.000 0.693 181 A CB 1.685 20.681 19.000 -0.006 0.000 1.272 181 A HN 0.827 nan 8.150 nan 0.000 0.402 182 K N 0.781 121.105 120.400 -0.127 0.000 2.556 182 K HA 0.872 5.191 4.320 -0.002 0.000 0.274 182 K C -0.998 175.486 176.600 -0.194 0.000 0.966 182 K CA -0.754 55.358 56.287 -0.291 0.000 0.865 182 K CB 1.876 34.017 32.500 -0.598 0.000 1.444 182 K HN 0.597 nan 8.250 nan 0.000 0.433 183 R N 1.674 122.050 120.500 -0.207 0.000 2.560 183 R HA 0.167 4.506 4.340 -0.002 0.000 0.267 183 R C -1.011 175.260 176.300 -0.049 0.000 1.150 183 R CA -0.200 55.863 56.100 -0.062 0.000 0.997 183 R CB 0.979 31.290 30.300 0.019 0.000 1.250 183 R HN 1.002 nan 8.270 nan 0.000 0.433 184 D N 1.478 121.877 120.400 -0.001 0.000 3.608 184 D HA -0.314 4.325 4.640 -0.002 0.000 0.152 184 D C 0.423 176.746 176.300 0.039 0.000 0.971 184 D CA 2.339 56.360 54.000 0.036 0.000 1.072 184 D CB -0.509 40.325 40.800 0.056 0.000 0.507 184 D HN 0.820 nan 8.370 nan 0.000 0.520 185 N N 0.324 119.087 118.700 0.106 0.000 2.268 185 N HA 0.247 4.985 4.740 -0.002 0.000 0.204 185 N C -0.267 175.429 175.510 0.310 0.000 1.124 185 N CA -0.039 53.145 53.050 0.224 0.000 0.838 185 N CB 0.511 39.109 38.487 0.186 0.000 0.994 185 N HN 0.126 nan 8.380 nan 0.000 0.489 186 V N 1.110 121.130 119.914 0.177 0.000 2.417 186 V HA 0.387 4.506 4.120 -0.002 0.000 0.291 186 V C -1.058 175.101 176.094 0.109 0.000 1.024 186 V CA -0.775 61.711 62.300 0.310 0.000 0.861 186 V CB 0.470 32.495 31.823 0.336 0.000 0.985 186 V HN 0.119 nan 8.190 nan 0.000 0.436 187 Y N 1.970 122.382 120.300 0.186 0.000 2.485 187 Y HA 0.692 5.241 4.550 -0.002 0.000 0.345 187 Y C 0.539 176.394 175.900 -0.074 0.000 0.998 187 Y CA -0.833 57.305 58.100 0.063 0.000 1.059 187 Y CB 2.533 41.023 38.460 0.050 0.000 1.234 187 Y HN 0.668 nan 8.280 nan 0.000 0.461 188 T N -0.490 114.036 114.554 -0.046 0.000 2.876 188 T HA 0.893 5.242 4.350 -0.002 0.000 0.289 188 T C -0.980 173.554 174.700 -0.276 0.000 1.014 188 T CA -0.927 60.966 62.100 -0.346 0.000 0.986 188 T CB 1.710 70.336 68.868 -0.403 0.000 1.021 188 T HN 0.837 nan 8.240 nan 0.000 0.458 189 A N 3.468 126.080 122.820 -0.346 0.000 2.335 189 A HA 0.720 5.039 4.320 -0.002 0.000 0.304 189 A C -0.714 176.706 177.584 -0.273 0.000 1.118 189 A CA -0.851 51.036 52.037 -0.249 0.000 0.757 189 A CB 0.945 19.848 19.000 -0.162 0.000 1.188 189 A HN 1.007 nan 8.150 nan 0.000 0.460 190 L N 3.435 124.518 121.223 -0.232 0.000 2.272 190 L HA 0.651 4.990 4.340 -0.002 0.000 0.289 190 L C 0.080 177.049 176.870 0.165 0.000 1.032 190 L CA -0.107 54.639 54.840 -0.155 0.000 0.810 190 L CB 1.395 43.276 42.059 -0.296 0.000 1.205 190 L HN 0.902 nan 8.230 nan 0.000 0.422 191 S N 2.169 117.984 115.700 0.192 0.000 2.595 191 S HA 0.647 5.115 4.470 -0.002 0.000 0.281 191 S C -0.812 173.739 174.600 -0.083 0.000 1.117 191 S CA -0.719 57.582 58.200 0.167 0.000 0.873 191 S CB 2.046 65.253 63.200 0.011 0.000 1.108 191 S HN 0.512 nan 8.310 nan 0.000 0.477 192 S N 0.638 116.019 115.700 -0.533 0.000 2.500 192 S HA 0.352 4.821 4.470 -0.002 0.000 0.301 192 S C 0.999 175.373 174.600 -0.377 0.000 1.092 192 S CA -0.651 57.154 58.200 -0.658 0.000 1.030 192 S CB 0.906 63.222 63.200 -1.474 0.000 1.031 192 S HN 0.852 nan 8.310 nan 0.000 0.483 193 N N 4.490 123.072 118.700 -0.197 0.000 2.381 193 N HA -0.105 4.633 4.740 -0.002 0.000 0.182 193 N C 1.224 176.649 175.510 -0.141 0.000 1.025 193 N CA 1.511 54.485 53.050 -0.126 0.000 0.888 193 N CB -0.491 37.958 38.487 -0.063 0.000 0.965 193 N HN 0.835 nan 8.380 nan 0.000 0.438 194 I N -4.943 115.512 120.570 -0.192 0.000 4.009 194 I HA 0.497 4.666 4.170 -0.002 0.000 0.331 194 I C 0.741 176.702 176.117 -0.260 0.000 1.462 194 I CA -0.310 60.883 61.300 -0.180 0.000 1.117 194 I CB 0.353 38.269 38.000 -0.140 0.000 1.091 194 I HN 0.098 nan 8.210 nan 0.000 0.410 195 G N 1.597 110.150 108.800 -0.411 0.000 2.750 195 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.228 195 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.228 195 G C -1.138 173.405 174.900 -0.595 0.000 1.367 195 G CA -0.226 44.577 45.100 -0.496 0.000 0.871 195 G HN 0.487 nan 8.290 nan 0.000 0.560 196 W N -0.376 120.938 121.300 0.024 0.000 2.573 196 W HA 0.708 5.367 4.660 -0.002 0.000 0.326 196 W C 1.112 177.630 176.519 -0.002 0.000 1.049 196 W CA -0.829 56.531 57.345 0.023 0.000 1.220 196 W CB 2.011 31.548 29.460 0.130 0.000 1.373 196 W HN 0.737 nan 8.180 nan 0.000 0.507 197 K N 1.509 122.012 120.400 0.171 0.000 2.365 197 K HA 0.234 4.553 4.320 -0.002 0.000 0.199 197 K C 0.468 177.107 176.600 0.066 0.000 1.045 197 K CA 0.875 57.192 56.287 0.049 0.000 0.962 197 K CB -0.056 32.421 32.500 -0.039 0.000 0.759 197 K HN 0.685 nan 8.250 nan 0.000 0.469 198 G N -0.077 108.819 108.800 0.160 0.000 2.596 198 G HA2 0.341 4.300 3.960 -0.002 0.000 0.296 198 G HA3 0.341 4.300 3.960 -0.002 0.000 0.296 198 G C -1.971 173.027 174.900 0.164 0.000 1.513 198 G CA -0.845 44.310 45.100 0.092 0.000 0.851 198 G HN 0.161 nan 8.290 nan 0.000 0.548 199 Y N -1.196 119.209 120.300 0.175 0.000 2.609 199 Y HA 0.907 5.455 4.550 -0.002 0.000 0.342 199 Y C -0.188 175.752 175.900 0.066 0.000 1.058 199 Y CA -1.816 56.285 58.100 0.002 0.000 1.055 199 Y CB 2.017 40.410 38.460 -0.112 0.000 1.292 199 Y HN 1.086 nan 8.280 nan 0.000 0.476 200 S N 0.979 116.819 115.700 0.234 0.000 2.579 200 S HA 0.594 5.063 4.470 -0.002 0.000 0.290 200 S C -2.053 172.596 174.600 0.082 0.000 1.123 200 S CA -0.674 57.610 58.200 0.141 0.000 0.894 200 S CB 0.472 63.626 63.200 -0.076 0.000 1.095 200 S HN 0.722 nan 8.310 nan 0.000 0.450 201 I N 4.197 124.837 120.570 0.115 0.000 2.428 201 I HA 0.531 4.699 4.170 -0.002 0.000 0.279 201 I C 0.792 176.892 176.117 -0.027 0.000 1.040 201 I CA -0.410 60.891 61.300 0.002 0.000 1.171 201 I CB 1.232 39.207 38.000 -0.042 0.000 1.312 201 I HN 0.658 nan 8.210 nan 0.000 0.470 202 G N 4.141 112.911 108.800 -0.050 0.000 2.597 202 G HA2 0.566 4.524 3.960 -0.002 0.000 0.317 202 G HA3 0.566 4.524 3.960 -0.002 0.000 0.317 202 G C -1.441 173.307 174.900 -0.252 0.000 1.230 202 G CA -0.453 44.580 45.100 -0.112 0.000 0.996 202 G HN 0.244 nan 8.290 nan 0.000 0.490 203 Y N -0.351 119.954 120.300 0.008 0.000 2.316 203 Y HA 0.249 4.798 4.550 -0.002 0.000 0.331 203 Y C 0.324 176.270 175.900 0.076 0.000 1.083 203 Y CA -0.556 57.556 58.100 0.020 0.000 1.206 203 Y CB 0.806 39.251 38.460 -0.025 0.000 1.195 203 Y HN 0.468 nan 8.280 nan 0.000 0.497 204 Y N 4.757 125.126 120.300 0.114 0.000 2.881 204 Y HA -0.136 4.413 4.550 -0.002 0.000 0.335 204 Y C 0.916 176.848 175.900 0.053 0.000 1.263 204 Y CA 0.075 58.207 58.100 0.053 0.000 1.572 204 Y CB -0.042 38.439 38.460 0.035 0.000 1.237 204 Y HN 0.796 nan 8.280 nan 0.000 0.568 205 K N 2.000 122.175 120.400 -0.376 0.000 3.130 205 K HA -0.231 4.088 4.320 -0.002 0.000 0.282 205 K C 0.310 176.827 176.600 -0.138 0.000 1.145 205 K CA 0.754 56.820 56.287 -0.368 0.000 0.831 205 K CB -1.847 30.306 32.500 -0.579 0.000 1.226 205 K HN 0.493 nan 8.250 nan 0.000 0.478 206 V N -0.468 119.428 119.914 -0.030 0.000 3.134 206 V HA -0.006 4.112 4.120 -0.002 0.000 0.222 206 V C 0.589 176.715 176.094 0.054 0.000 1.247 206 V CA 1.256 63.569 62.300 0.022 0.000 1.281 206 V CB 0.410 32.278 31.823 0.075 0.000 1.169 206 V HN 0.509 nan 8.190 nan 0.000 0.512 207 N N 0.418 119.179 118.700 0.103 0.000 2.471 207 N HA 0.100 4.838 4.740 -0.002 0.000 0.270 207 N C -0.670 174.919 175.510 0.131 0.000 1.490 207 N CA -0.316 52.818 53.050 0.140 0.000 0.850 207 N CB -0.269 38.378 38.487 0.267 0.000 1.411 207 N HN 0.503 nan 8.380 nan 0.000 0.488 208 D N -0.317 120.125 120.400 0.070 0.000 2.398 208 D HA 0.066 4.705 4.640 -0.002 0.000 0.247 208 D C 1.393 177.688 176.300 -0.008 0.000 1.227 208 D CA -0.760 53.267 54.000 0.046 0.000 0.980 208 D CB 0.854 41.699 40.800 0.075 0.000 1.106 208 D HN -0.062 nan 8.370 nan 0.000 0.493 209 I N -0.261 120.292 120.570 -0.030 0.000 2.194 209 I HA -0.262 3.907 4.170 -0.002 0.000 0.246 209 I C 2.156 178.206 176.117 -0.111 0.000 1.093 209 I CA 1.598 62.843 61.300 -0.093 0.000 1.355 209 I CB -0.520 37.442 38.000 -0.063 0.000 1.046 209 I HN 0.517 nan 8.210 nan 0.000 0.413 210 M N -0.122 119.451 119.600 -0.046 0.000 2.080 210 M HA -0.208 4.270 4.480 -0.002 0.000 0.260 210 M C 2.191 178.456 176.300 -0.059 0.000 1.068 210 M CA 2.508 57.785 55.300 -0.038 0.000 1.109 210 M CB -0.909 31.699 32.600 0.014 0.000 1.342 210 M HN 0.284 nan 8.290 nan 0.000 0.405 211 T N -0.149 114.374 114.554 -0.052 0.000 2.777 211 T HA -0.139 4.209 4.350 -0.002 0.000 0.266 211 T C 1.516 176.176 174.700 -0.067 0.000 1.040 211 T CA 1.550 63.618 62.100 -0.053 0.000 1.141 211 T CB -0.524 68.320 68.868 -0.041 0.000 0.868 211 T HN 0.468 nan 8.240 nan 0.000 0.444 212 D N 1.257 121.605 120.400 -0.086 0.000 2.123 212 D HA -0.063 4.575 4.640 -0.002 0.000 0.196 212 D C 1.969 178.175 176.300 -0.156 0.000 0.992 212 D CA 0.956 54.884 54.000 -0.121 0.000 0.833 212 D CB -0.334 40.367 40.800 -0.164 0.000 0.954 212 D HN 0.315 nan 8.370 nan 0.000 0.455 213 L N 0.061 121.165 121.223 -0.199 0.000 2.217 213 L HA -0.096 4.243 4.340 -0.002 0.000 0.211 213 L C 1.741 178.536 176.870 -0.125 0.000 1.107 213 L CA 0.842 55.545 54.840 -0.227 0.000 0.783 213 L CB -0.218 41.653 42.059 -0.312 0.000 0.919 213 L HN -0.055 nan 8.230 nan 0.000 0.442 214 D N -0.403 119.947 120.400 -0.084 0.000 2.277 214 D HA -0.160 4.478 4.640 -0.002 0.000 0.208 214 D C 1.973 178.248 176.300 -0.043 0.000 0.962 214 D CA 0.829 54.802 54.000 -0.045 0.000 0.865 214 D CB 0.266 41.048 40.800 -0.029 0.000 0.939 214 D HN 0.372 nan 8.370 nan 0.000 0.510 215 E N -0.323 119.843 120.200 -0.055 0.000 2.364 215 E HA 0.027 4.376 4.350 -0.002 0.000 0.196 215 E C 0.845 177.414 176.600 -0.052 0.000 0.990 215 E CA 0.357 56.730 56.400 -0.046 0.000 0.886 215 E CB 0.389 30.064 29.700 -0.042 0.000 0.866 215 E HN 0.057 nan 8.360 nan 0.000 0.493 216 N N -0.129 118.527 118.700 -0.073 0.000 2.145 216 N HA 0.036 4.775 4.740 -0.002 0.000 0.219 216 N C -0.369 175.091 175.510 -0.082 0.000 1.266 216 N CA 0.046 53.052 53.050 -0.074 0.000 0.902 216 N CB 1.071 39.508 38.487 -0.083 0.000 1.078 216 N HN -0.063 nan 8.380 nan 0.000 0.513 217 K N 1.094 121.434 120.400 -0.098 0.000 3.274 217 K HA -0.200 4.118 4.320 -0.002 0.000 0.300 217 K C -0.138 176.397 176.600 -0.108 0.000 1.230 217 K CA 0.973 57.198 56.287 -0.104 0.000 0.884 217 K CB -1.942 30.503 32.500 -0.092 0.000 1.242 217 K HN 0.757 nan 8.250 nan 0.000 0.467 218 Q N -2.215 117.498 119.800 -0.145 0.000 2.666 218 Q HA 0.412 4.750 4.340 -0.002 0.000 0.276 218 Q C -0.797 175.099 176.000 -0.172 0.000 0.952 218 Q CA -0.968 54.773 55.803 -0.105 0.000 0.850 218 Q CB 0.694 29.431 28.738 -0.001 0.000 1.512 218 Q HN 0.050 nan 8.270 nan 0.000 0.395 219 M N 1.888 121.408 119.600 -0.134 0.000 2.284 219 M HA 0.053 4.531 4.480 -0.002 0.000 0.351 219 M C -0.181 176.005 176.300 -0.189 0.000 1.443 219 M CA 0.990 56.178 55.300 -0.187 0.000 1.031 219 M CB 0.526 33.093 32.600 -0.054 0.000 1.893 219 M HN 0.930 nan 8.290 nan 0.000 0.456 220 T N 1.679 116.069 114.554 -0.273 0.000 3.058 220 T HA 0.133 4.482 4.350 -0.002 0.000 0.247 220 T C 0.103 174.595 174.700 -0.347 0.000 0.987 220 T CA 0.263 62.232 62.100 -0.218 0.000 1.062 220 T CB 0.462 69.242 68.868 -0.146 0.000 1.048 220 T HN 0.399 nan 8.240 nan 0.000 0.468 221 K N 1.892 122.007 120.400 -0.474 0.000 2.144 221 K HA 0.381 4.700 4.320 -0.002 0.000 0.270 221 K C -0.233 175.850 176.600 -0.861 0.000 1.005 221 K CA -0.182 55.706 56.287 -0.666 0.000 0.932 221 K CB 0.388 32.430 32.500 -0.764 0.000 1.021 221 K HN 0.215 nan 8.250 nan 0.000 0.462 222 H N 2.202 120.961 119.070 -0.518 0.000 2.901 222 H HA 0.117 4.672 4.556 -0.002 0.000 0.227 222 H C -0.804 174.443 175.328 -0.135 0.000 1.390 222 H CA -0.496 55.379 56.048 -0.288 0.000 1.120 222 H CB -0.123 29.485 29.762 -0.257 0.000 2.131 222 H HN 0.487 nan 8.280 nan 0.000 0.549 223 Y N 1.815 122.173 120.300 0.097 0.000 2.597 223 Y HA 0.019 4.568 4.550 -0.002 0.000 0.336 223 Y C 1.409 177.408 175.900 0.165 0.000 1.216 223 Y CA -0.106 58.051 58.100 0.095 0.000 1.463 223 Y CB 0.619 39.078 38.460 -0.002 0.000 1.303 223 Y HN 0.329 nan 8.280 nan 0.000 0.576 224 D N -1.358 119.240 120.400 0.330 0.000 2.571 224 D HA 0.218 4.857 4.640 -0.002 0.000 0.239 224 D C -0.424 175.943 176.300 0.112 0.000 1.267 224 D CA -0.321 53.822 54.000 0.240 0.000 0.823 224 D CB 0.359 41.363 40.800 0.341 0.000 1.056 224 D HN 0.249 nan 8.370 nan 0.000 0.494 225 S N -0.909 114.844 115.700 0.088 0.000 2.560 225 S HA 0.691 5.159 4.470 -0.002 0.000 0.283 225 S C -1.965 172.589 174.600 -0.076 0.000 1.141 225 S CA -0.046 58.169 58.200 0.026 0.000 0.902 225 S CB 0.817 64.039 63.200 0.036 0.000 1.104 225 S HN 0.757 nan 8.310 nan 0.000 0.454 226 A N 3.169 125.919 122.820 -0.117 0.000 2.583 226 A HA 0.876 5.195 4.320 -0.002 0.000 0.292 226 A C -1.190 176.322 177.584 -0.120 0.000 1.045 226 A CA -0.771 51.116 52.037 -0.251 0.000 0.672 226 A CB 1.554 20.130 19.000 -0.707 0.000 1.283 226 A HN 0.945 nan 8.150 nan 0.000 0.419 227 R N 0.337 120.862 120.500 0.042 0.000 2.510 227 R HA 0.599 4.937 4.340 -0.002 0.000 0.287 227 R C 0.168 176.544 176.300 0.127 0.000 1.084 227 R CA 0.651 56.725 56.100 -0.043 0.000 0.934 227 R CB 1.561 31.717 30.300 -0.241 0.000 1.201 227 R HN 2.578 nan 8.270 nan 0.000 0.431 228 G N 2.540 111.366 108.800 0.044 0.000 2.295 228 G HA2 -0.141 3.818 3.960 -0.002 0.000 0.155 228 G HA3 -0.141 3.818 3.960 -0.002 0.000 0.155 228 G C -1.421 173.535 174.900 0.095 0.000 1.307 228 G CA -0.906 44.271 45.100 0.127 0.000 1.140 228 G HN 0.530 nan 8.290 nan 0.000 0.470 229 N N 1.541 120.320 118.700 0.131 0.000 2.439 229 N HA 0.545 5.283 4.740 -0.002 0.000 0.243 229 N C 0.296 175.886 175.510 0.134 0.000 1.088 229 N CA 0.004 53.094 53.050 0.067 0.000 0.940 229 N CB 0.440 38.980 38.487 0.088 0.000 1.180 229 N HN 0.693 nan 8.380 nan 0.000 0.505 230 I N -1.293 119.280 120.570 0.004 0.000 2.910 230 I HA 0.656 4.824 4.170 -0.002 0.000 0.310 230 I C -0.740 175.316 176.117 -0.103 0.000 1.043 230 I CA -1.013 60.254 61.300 -0.055 0.000 1.053 230 I CB 1.880 39.790 38.000 -0.149 0.000 1.242 230 I HN 0.152 nan 8.210 nan 0.000 0.452 231 I N 2.405 122.925 120.570 -0.084 0.000 2.512 231 I HA 0.291 4.460 4.170 -0.002 0.000 0.287 231 I C -0.792 175.275 176.117 -0.082 0.000 1.069 231 I CA -0.441 60.804 61.300 -0.092 0.000 1.056 231 I CB 2.165 40.171 38.000 0.009 0.000 1.229 231 I HN 0.670 nan 8.210 nan 0.000 0.429 232 E N 5.354 125.501 120.200 -0.088 0.000 2.044 232 E HA 0.411 4.759 4.350 -0.002 0.000 0.282 232 E C 0.061 176.626 176.600 -0.057 0.000 1.031 232 E CA -0.358 56.009 56.400 -0.054 0.000 0.824 232 E CB 1.695 31.406 29.700 0.018 0.000 1.076 232 E HN 0.736 nan 8.360 nan 0.000 0.395 233 G N 1.680 110.440 108.800 -0.066 0.000 2.417 233 G HA2 0.683 4.641 3.960 -0.002 0.000 0.334 233 G HA3 0.683 4.641 3.960 -0.002 0.000 0.334 233 G C -1.066 173.774 174.900 -0.100 0.000 1.150 233 G CA -0.508 44.559 45.100 -0.055 0.000 0.923 233 G HN 0.517 nan 8.290 nan 0.000 0.485 234 A N 1.014 123.788 122.820 -0.075 0.000 2.540 234 A HA 0.685 5.004 4.320 -0.002 0.000 0.297 234 A C -0.702 176.967 177.584 0.141 0.000 1.056 234 A CA -0.649 51.339 52.037 -0.083 0.000 0.700 234 A CB 1.688 20.282 19.000 -0.678 0.000 1.280 234 A HN 0.757 nan 8.150 nan 0.000 0.398 235 E N 2.305 122.605 120.200 0.167 0.000 2.249 235 E HA 0.485 4.834 4.350 -0.002 0.000 0.280 235 E C -0.732 175.857 176.600 -0.018 0.000 1.016 235 E CA -0.617 55.757 56.400 -0.043 0.000 0.830 235 E CB 0.600 30.218 29.700 -0.136 0.000 1.081 235 E HN 0.493 nan 8.360 nan 0.000 0.395 236 I N 3.830 124.279 120.570 -0.201 0.000 2.342 236 I HA 0.086 4.255 4.170 -0.002 0.000 0.291 236 I C 0.172 176.071 176.117 -0.362 0.000 1.010 236 I CA -0.410 60.703 61.300 -0.312 0.000 1.308 236 I CB 0.983 38.604 38.000 -0.632 0.000 1.400 236 I HN 0.642 nan 8.210 nan 0.000 0.488 237 D N 6.938 127.164 120.400 -0.291 0.000 2.383 237 D HA 0.100 4.739 4.640 -0.002 0.000 0.245 237 D C 1.180 177.319 176.300 -0.268 0.000 1.263 237 D CA -0.007 53.849 54.000 -0.240 0.000 0.936 237 D CB 0.711 41.412 40.800 -0.165 0.000 1.053 237 D HN 0.441 nan 8.370 nan 0.000 0.507 238 L N 2.497 123.546 121.223 -0.290 0.000 2.141 238 L HA -0.164 4.175 4.340 -0.002 0.000 0.209 238 L C 2.651 179.402 176.870 -0.199 0.000 1.094 238 L CA 1.357 56.046 54.840 -0.252 0.000 0.763 238 L CB -0.583 41.304 42.059 -0.287 0.000 0.908 238 L HN 0.432 nan 8.230 nan 0.000 0.437 239 T N -2.320 112.109 114.554 -0.208 0.000 2.881 239 T HA -0.250 4.099 4.350 -0.002 0.000 0.270 239 T C 1.824 176.463 174.700 -0.100 0.000 1.068 239 T CA 1.418 63.416 62.100 -0.171 0.000 1.131 239 T CB -0.137 68.658 68.868 -0.122 0.000 0.871 239 T HN 0.245 nan 8.240 nan 0.000 0.479 240 K N 1.130 121.466 120.400 -0.107 0.000 2.167 240 K HA 0.071 4.390 4.320 -0.002 0.000 0.203 240 K C 0.346 176.907 176.600 -0.065 0.000 1.052 240 K CA 0.612 56.850 56.287 -0.081 0.000 0.956 240 K CB 0.264 32.706 32.500 -0.096 0.000 0.735 240 K HN 0.323 nan 8.250 nan 0.000 0.451 241 N N -1.051 117.603 118.700 -0.075 0.000 3.126 241 N HA -0.046 4.693 4.740 -0.002 0.000 0.233 241 N C -0.610 174.901 175.510 0.000 0.000 1.069 241 N CA 0.155 53.190 53.050 -0.025 0.000 1.071 241 N CB 1.411 39.897 38.487 -0.002 0.000 1.683 241 N HN 0.070 nan 8.380 nan 0.000 0.586 242 S N 0.925 116.657 115.700 0.052 0.000 2.527 242 S HA 0.109 4.577 4.470 -0.002 0.000 0.222 242 S C 0.482 175.230 174.600 0.247 0.000 0.985 242 S CA 0.371 58.647 58.200 0.126 0.000 0.921 242 S CB 0.407 63.683 63.200 0.127 0.000 0.772 242 S HN 0.562 nan 8.310 nan 0.000 0.529 243 E N 0.310 120.633 120.200 0.206 0.000 2.199 243 E HA 0.580 4.928 4.350 -0.002 0.000 0.265 243 E C -1.140 175.591 176.600 0.218 0.000 0.882 243 E CA -1.001 55.485 56.400 0.143 0.000 0.759 243 E CB 1.096 30.798 29.700 0.004 0.000 1.148 243 E HN 0.394 nan 8.360 nan 0.000 0.412 244 F N 0.797 120.696 119.950 -0.085 0.000 2.754 244 F HA 0.581 5.107 4.527 -0.002 0.000 0.320 244 F C -1.130 174.607 175.800 -0.105 0.000 1.156 244 F CA -1.288 56.651 58.000 -0.101 0.000 0.950 244 F CB 1.094 40.039 39.000 -0.093 0.000 1.388 244 F HN 0.289 nan 8.300 nan 0.000 0.485 245 E N 1.371 121.552 120.200 -0.032 0.000 2.218 245 E HA 0.530 4.879 4.350 -0.002 0.000 0.263 245 E C -1.728 174.864 176.600 -0.014 0.000 0.879 245 E CA -0.715 55.613 56.400 -0.120 0.000 0.762 245 E CB 1.511 31.142 29.700 -0.115 0.000 1.166 245 E HN 0.571 nan 8.360 nan 0.000 0.415 246 I N 4.454 125.016 120.570 -0.014 0.000 2.377 246 I HA 0.371 4.539 4.170 -0.002 0.000 0.293 246 I C -0.354 175.742 176.117 -0.033 0.000 0.987 246 I CA -0.881 60.448 61.300 0.047 0.000 1.185 246 I CB 1.425 39.520 38.000 0.158 0.000 1.341 246 I HN 0.333 nan 8.210 nan 0.000 0.455 247 V N 6.760 126.652 119.914 -0.037 0.000 2.588 247 V HA 0.442 4.561 4.120 -0.002 0.000 0.304 247 V C -0.577 175.453 176.094 -0.108 0.000 1.042 247 V CA -0.765 61.488 62.300 -0.079 0.000 0.877 247 V CB 2.664 34.447 31.823 -0.067 0.000 0.996 247 V HN 0.484 nan 8.190 nan 0.000 0.425 248 L N 4.396 125.532 121.223 -0.145 0.000 2.319 248 L HA 0.755 5.094 4.340 -0.002 0.000 0.281 248 L C -0.105 176.624 176.870 -0.235 0.000 1.005 248 L CA 0.598 55.282 54.840 -0.261 0.000 0.828 248 L CB 1.725 43.617 42.059 -0.278 0.000 1.227 248 L HN 0.681 nan 8.230 nan 0.000 0.415 249 S N 4.121 119.617 115.700 -0.340 0.000 2.568 249 S HA 0.742 5.210 4.470 -0.002 0.000 0.302 249 S C -0.863 173.423 174.600 -0.523 0.000 1.082 249 S CA -0.305 57.749 58.200 -0.242 0.000 1.009 249 S CB 1.178 64.305 63.200 -0.121 0.000 1.069 249 S HN 0.398 nan 8.310 nan 0.000 0.500 250 F N 0.387 120.165 119.950 -0.286 0.000 2.556 250 F HA 0.854 5.380 4.527 -0.002 0.000 0.327 250 F C 0.878 176.458 175.800 -0.365 0.000 1.059 250 F CA -0.369 57.321 58.000 -0.516 0.000 0.953 250 F CB 2.289 40.479 39.000 -1.349 0.000 1.227 250 F HN 0.779 nan 8.300 nan 0.000 0.478 251 G N 0.315 109.116 108.800 0.002 0.000 2.451 251 G HA2 0.195 4.153 3.960 -0.002 0.000 0.292 251 G HA3 0.195 4.153 3.960 -0.002 0.000 0.292 251 G C -1.371 173.744 174.900 0.359 0.000 1.427 251 G CA -0.661 44.555 45.100 0.193 0.000 0.792 251 G HN 0.529 nan 8.290 nan 0.000 0.498 252 Q N -0.549 119.418 119.800 0.279 0.000 2.280 252 Q HA 0.364 4.702 4.340 -0.002 0.000 0.202 252 Q C 0.519 176.539 176.000 0.033 0.000 0.903 252 Q CA 0.673 56.653 55.803 0.294 0.000 0.948 252 Q CB 0.003 28.867 28.738 0.210 0.000 1.058 252 Q HN 0.852 nan 8.270 nan 0.000 0.493 253 S N -2.576 112.925 115.700 -0.331 0.000 2.615 253 S HA 0.173 4.642 4.470 -0.002 0.000 0.268 253 S C -0.174 173.974 174.600 -0.753 0.000 1.146 253 S CA -0.789 56.845 58.200 -0.944 0.000 0.818 253 S CB 0.748 63.715 63.200 -0.389 0.000 1.111 253 S HN -0.023 nan 8.310 nan 0.000 0.465 254 D N 1.585 121.573 120.400 -0.686 0.000 2.092 254 D HA -0.086 4.553 4.640 -0.002 0.000 0.193 254 D C 2.012 178.238 176.300 -0.124 0.000 0.994 254 D CA 2.099 55.972 54.000 -0.212 0.000 0.828 254 D CB -0.451 40.326 40.800 -0.039 0.000 0.963 254 D HN 0.491 nan 8.370 nan 0.000 0.450 255 S N 0.014 115.642 115.700 -0.121 0.000 2.359 255 S HA -0.235 4.234 4.470 -0.002 0.000 0.223 255 S C 1.847 176.415 174.600 -0.054 0.000 1.039 255 S CA 1.844 60.005 58.200 -0.065 0.000 1.042 255 S CB -0.208 62.959 63.200 -0.055 0.000 0.915 255 S HN 0.281 nan 8.310 nan 0.000 0.439 256 E N 0.298 120.459 120.200 -0.065 0.000 2.023 256 E HA -0.174 4.174 4.350 -0.002 0.000 0.196 256 E C 2.266 178.854 176.600 -0.020 0.000 1.003 256 E CA 1.177 57.563 56.400 -0.024 0.000 0.809 256 E CB -0.477 29.224 29.700 0.001 0.000 0.755 256 E HN 0.579 nan 8.360 nan 0.000 0.449 257 A N 1.259 124.056 122.820 -0.037 0.000 1.873 257 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 257 A C 2.423 179.972 177.584 -0.058 0.000 1.193 257 A CA 2.582 54.589 52.037 -0.050 0.000 0.629 257 A CB -1.069 17.904 19.000 -0.047 0.000 0.826 257 A HN 0.454 nan 8.150 nan 0.000 0.447 258 A N -0.558 122.232 122.820 -0.050 0.000 1.902 258 A HA -0.171 4.147 4.320 -0.002 0.000 0.217 258 A C 2.155 179.724 177.584 -0.025 0.000 1.181 258 A CA 2.098 54.112 52.037 -0.039 0.000 0.623 258 A CB -0.485 18.500 19.000 -0.026 0.000 0.818 258 A HN 0.599 nan 8.150 nan 0.000 0.443 259 K N -0.798 119.591 120.400 -0.018 0.000 2.057 259 K HA -0.142 4.177 4.320 -0.002 0.000 0.207 259 K C 1.931 178.528 176.600 -0.005 0.000 1.049 259 K CA 1.888 58.170 56.287 -0.008 0.000 0.931 259 K CB -0.353 32.145 32.500 -0.003 0.000 0.714 259 K HN 0.435 nan 8.250 nan 0.000 0.440 260 T N 0.681 115.232 114.554 -0.005 0.000 2.788 260 T HA -0.107 4.241 4.350 -0.002 0.000 0.268 260 T C 1.833 176.528 174.700 -0.008 0.000 1.044 260 T CA 1.221 63.323 62.100 0.003 0.000 1.139 260 T CB -0.239 68.635 68.868 0.011 0.000 0.867 260 T HN 0.416 nan 8.240 nan 0.000 0.454 261 A N 1.228 124.032 122.820 -0.027 0.000 1.898 261 A HA 0.073 4.391 4.320 -0.002 0.000 0.216 261 A C 2.286 179.857 177.584 -0.021 0.000 1.181 261 A CA 1.021 53.037 52.037 -0.035 0.000 0.620 261 A CB -0.756 18.212 19.000 -0.053 0.000 0.819 261 A HN 0.465 nan 8.150 nan 0.000 0.442 262 L N -0.718 120.496 121.223 -0.015 0.000 2.046 262 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 262 L C 2.580 179.449 176.870 -0.001 0.000 1.077 262 L CA 1.632 56.467 54.840 -0.009 0.000 0.747 262 L CB -0.610 41.446 42.059 -0.005 0.000 0.896 262 L HN 0.468 nan 8.230 nan 0.000 0.432 263 E N -0.519 119.683 120.200 0.003 0.000 2.077 263 E HA -0.180 4.169 4.350 -0.002 0.000 0.193 263 E C 2.121 178.731 176.600 0.016 0.000 0.989 263 E CA 1.741 58.148 56.400 0.011 0.000 0.800 263 E CB -0.100 29.609 29.700 0.015 0.000 0.746 263 E HN 0.411 nan 8.360 nan 0.000 0.452 264 T N 1.341 115.903 114.554 0.013 0.000 2.777 264 T HA -0.084 4.265 4.350 -0.002 0.000 0.266 264 T C 1.900 176.613 174.700 0.022 0.000 1.040 264 T CA 0.717 62.828 62.100 0.019 0.000 1.141 264 T CB -0.119 68.752 68.868 0.004 0.000 0.868 264 T HN 0.078 nan 8.240 nan 0.000 0.444 265 L N 0.566 121.793 121.223 0.007 0.000 2.141 265 L HA 0.034 4.373 4.340 -0.002 0.000 0.209 265 L C 2.806 179.685 176.870 0.016 0.000 1.094 265 L CA 1.060 55.904 54.840 0.006 0.000 0.763 265 L CB -0.604 41.444 42.059 -0.018 0.000 0.908 265 L HN 0.344 nan 8.230 nan 0.000 0.437 266 G N -0.874 107.934 108.800 0.014 0.000 2.650 266 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.214 266 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.214 266 G C 0.590 175.505 174.900 0.026 0.000 1.136 266 G CA -0.130 44.980 45.100 0.016 0.000 0.789 266 G HN 0.281 nan 8.290 nan 0.000 0.536 267 E N 0.419 120.640 120.200 0.036 0.000 2.318 267 E HA 0.197 4.546 4.350 -0.002 0.000 0.265 267 E C -0.499 176.139 176.600 0.063 0.000 1.069 267 E CA -0.681 55.745 56.400 0.044 0.000 0.893 267 E CB 0.678 30.407 29.700 0.048 0.000 1.076 267 E HN 0.092 nan 8.360 nan 0.000 0.414 268 D N 2.492 122.925 120.400 0.056 0.000 2.343 268 D HA -0.072 4.567 4.640 -0.002 0.000 0.255 268 D C 0.462 176.821 176.300 0.099 0.000 1.187 268 D CA 0.044 54.088 54.000 0.073 0.000 0.875 268 D CB 0.494 41.319 40.800 0.042 0.000 1.136 268 D HN 0.575 nan 8.370 nan 0.000 0.469 269 Y N 6.022 126.344 120.300 0.037 0.000 2.040 269 Y HA -0.325 4.224 4.550 -0.002 0.000 0.275 269 Y C 1.782 177.718 175.900 0.060 0.000 1.171 269 Y CA 1.974 60.117 58.100 0.072 0.000 1.123 269 Y CB -0.214 38.276 38.460 0.050 0.000 0.963 269 Y HN 0.486 nan 8.280 nan 0.000 0.493 270 N N 0.560 119.239 118.700 -0.034 0.000 2.205 270 N HA -0.232 4.507 4.740 -0.002 0.000 0.186 270 N C 1.655 177.045 175.510 -0.200 0.000 1.015 270 N CA 1.307 54.254 53.050 -0.171 0.000 0.862 270 N CB -0.696 37.781 38.487 -0.018 0.000 0.986 270 N HN 0.532 nan 8.380 nan 0.000 0.429 271 N N 1.282 119.921 118.700 -0.103 0.000 2.084 271 N HA -0.047 4.691 4.740 -0.002 0.000 0.190 271 N C 1.884 177.341 175.510 -0.089 0.000 1.030 271 N CA 0.632 53.638 53.050 -0.075 0.000 0.849 271 N CB -0.081 38.391 38.487 -0.024 0.000 1.012 271 N HN 0.213 nan 8.380 nan 0.000 0.423 272 L N 1.197 122.376 121.223 -0.073 0.000 2.046 272 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 272 L C 2.666 179.471 176.870 -0.108 0.000 1.077 272 L CA 1.202 56.050 54.840 0.013 0.000 0.747 272 L CB -0.400 41.748 42.059 0.147 0.000 0.896 272 L HN 0.224 nan 8.230 nan 0.000 0.432 273 K N 0.142 120.249 120.400 -0.488 0.000 2.026 273 K HA -0.187 4.132 4.320 -0.002 0.000 0.208 273 K C 1.936 178.247 176.600 -0.482 0.000 1.048 273 K CA 1.608 57.270 56.287 -1.040 0.000 0.929 273 K CB 0.012 31.770 32.500 -1.236 0.000 0.713 273 K HN 0.262 nan 8.250 nan 0.000 0.439 274 N N 1.262 119.774 118.700 -0.313 0.000 2.120 274 N HA -0.150 4.588 4.740 -0.002 0.000 0.188 274 N C 1.404 176.869 175.510 -0.076 0.000 1.024 274 N CA 1.449 54.398 53.050 -0.167 0.000 0.852 274 N CB -0.590 37.818 38.487 -0.132 0.000 1.003 274 N HN 0.378 nan 8.380 nan 0.000 0.424 275 N N -0.337 118.330 118.700 -0.055 0.000 2.166 275 N HA -0.184 4.555 4.740 -0.002 0.000 0.186 275 N C 1.646 177.178 175.510 0.036 0.000 1.019 275 N CA 0.637 53.681 53.050 -0.009 0.000 0.856 275 N CB -0.172 38.318 38.487 0.007 0.000 0.993 275 N HN 0.276 nan 8.380 nan 0.000 0.426 276 Y N 1.896 122.162 120.300 -0.057 0.000 2.145 276 Y HA -0.115 4.434 4.550 -0.002 0.000 0.286 276 Y C 2.038 178.010 175.900 0.119 0.000 1.145 276 Y CA 1.338 59.465 58.100 0.045 0.000 1.148 276 Y CB -0.151 38.355 38.460 0.077 0.000 0.981 276 Y HN -0.009 nan 8.280 nan 0.000 0.507 277 I N 0.065 120.777 120.570 0.235 0.000 2.179 277 I HA -0.307 3.862 4.170 -0.002 0.000 0.242 277 I C 1.868 178.040 176.117 0.092 0.000 1.088 277 I CA 1.585 63.005 61.300 0.200 0.000 1.357 277 I CB -0.492 37.591 38.000 0.139 0.000 1.051 277 I HN 0.229 nan 8.210 nan 0.000 0.409 278 D N 0.607 121.021 120.400 0.024 0.000 2.178 278 D HA -0.218 4.421 4.640 -0.002 0.000 0.201 278 D C 2.001 178.280 176.300 -0.035 0.000 0.980 278 D CA 1.171 55.167 54.000 -0.007 0.000 0.842 278 D CB -0.203 40.582 40.800 -0.026 0.000 0.948 278 D HN 0.428 nan 8.370 nan 0.000 0.472 279 E N -0.628 119.510 120.200 -0.102 0.000 2.072 279 E HA -0.148 4.201 4.350 -0.002 0.000 0.191 279 E C 1.912 178.365 176.600 -0.245 0.000 0.985 279 E CA 0.780 57.045 56.400 -0.224 0.000 0.801 279 E CB -0.014 29.463 29.700 -0.370 0.000 0.750 279 E HN 0.370 nan 8.360 nan 0.000 0.452 280 W N 0.014 121.226 121.300 -0.147 0.000 2.476 280 W HA -0.074 4.584 4.660 -0.002 0.000 0.281 280 W C 2.443 178.953 176.519 -0.015 0.000 1.230 280 W CA 1.049 58.340 57.345 -0.090 0.000 1.287 280 W CB -0.025 29.335 29.460 -0.168 0.000 1.108 280 W HN 0.040 nan 8.180 nan 0.000 0.567 281 T N 0.179 114.837 114.554 0.173 0.000 2.777 281 T HA -0.241 4.108 4.350 -0.002 0.000 0.266 281 T C 1.733 176.458 174.700 0.042 0.000 1.040 281 T CA 1.584 63.725 62.100 0.069 0.000 1.141 281 T CB -0.286 68.594 68.868 0.020 0.000 0.868 281 T HN 0.124 nan 8.240 nan 0.000 0.444 282 K N 0.134 120.555 120.400 0.036 0.000 2.032 282 K HA -0.194 4.125 4.320 -0.002 0.000 0.209 282 K C 2.185 178.822 176.600 0.061 0.000 1.048 282 K CA 1.484 57.784 56.287 0.021 0.000 0.927 282 K CB -0.390 32.107 32.500 -0.006 0.000 0.712 282 K HN 0.471 nan 8.250 nan 0.000 0.441 283 Y N 1.017 121.313 120.300 -0.007 0.000 2.145 283 Y HA -0.315 4.234 4.550 -0.002 0.000 0.286 283 Y C 2.321 178.290 175.900 0.116 0.000 1.145 283 Y CA 1.831 59.955 58.100 0.040 0.000 1.148 283 Y CB -0.342 38.144 38.460 0.043 0.000 0.981 283 Y HN 0.201 nan 8.280 nan 0.000 0.507 284 C N 0.993 120.301 119.300 0.013 0.000 2.413 284 C HA -0.192 4.267 4.460 -0.002 0.000 0.276 284 C C 2.086 177.048 174.990 -0.046 0.000 1.248 284 C CA 1.314 60.303 59.018 -0.050 0.000 1.742 284 C CB -1.328 26.340 27.740 -0.119 0.000 2.017 284 C HN 0.603 nan 8.230 nan 0.000 0.481 285 N N 0.114 118.775 118.700 -0.064 0.000 2.575 285 N HA -0.060 4.679 4.740 -0.002 0.000 0.192 285 N C 1.424 176.924 175.510 -0.016 0.000 1.200 285 N CA 0.652 53.685 53.050 -0.028 0.000 0.897 285 N CB -0.299 38.166 38.487 -0.035 0.000 0.990 285 N HN 0.499 nan 8.380 nan 0.000 0.449 286 T N -0.135 114.380 114.554 -0.066 0.000 3.044 286 T HA 0.270 4.619 4.350 -0.002 0.000 0.250 286 T C 0.736 175.398 174.700 -0.063 0.000 1.081 286 T CA -0.042 62.017 62.100 -0.068 0.000 1.040 286 T CB 0.280 69.097 68.868 -0.086 0.000 0.962 286 T HN 0.016 nan 8.240 nan 0.000 0.506 287 L N 1.860 123.057 121.223 -0.043 0.000 2.431 287 L HA 0.490 4.829 4.340 -0.002 0.000 0.260 287 L C 0.278 177.204 176.870 0.093 0.000 1.098 287 L CA -1.295 53.567 54.840 0.036 0.000 0.800 287 L CB 0.360 42.462 42.059 0.071 0.000 1.210 287 L HN -0.012 nan 8.230 nan 0.000 0.465 288 N N 1.581 120.297 118.700 0.026 0.000 2.492 288 N HA -0.009 4.730 4.740 -0.002 0.000 0.262 288 N C 0.141 175.572 175.510 -0.131 0.000 1.202 288 N CA 0.023 52.938 53.050 -0.225 0.000 0.926 288 N CB 0.430 38.515 38.487 -0.671 0.000 1.078 288 N HN 0.594 nan 8.380 nan 0.000 0.454 289 N N 0.828 119.467 118.700 -0.103 0.000 2.205 289 N HA 0.083 4.822 4.740 -0.002 0.000 0.201 289 N C -0.718 174.888 175.510 0.160 0.000 1.128 289 N CA -0.393 52.735 53.050 0.129 0.000 0.867 289 N CB -0.246 38.364 38.487 0.206 0.000 0.996 289 N HN 0.388 nan 8.380 nan 0.000 0.503 290 F N 1.155 121.070 119.950 -0.059 0.000 2.773 290 F HA -0.284 4.241 4.527 -0.002 0.000 0.251 290 F C -0.115 175.651 175.800 -0.057 0.000 1.020 290 F CA 0.192 58.137 58.000 -0.091 0.000 0.924 290 F CB -2.384 36.511 39.000 -0.175 0.000 0.919 290 F HN 0.215 nan 8.300 nan 0.000 0.846 291 N N -0.679 118.052 118.700 0.051 0.000 2.727 291 N HA -0.200 4.539 4.740 -0.002 0.000 0.249 291 N C 1.139 176.692 175.510 0.071 0.000 1.048 291 N CA 1.672 54.749 53.050 0.046 0.000 0.714 291 N CB -1.235 37.273 38.487 0.034 0.000 0.959 291 N HN 1.508 nan 8.380 nan 0.000 0.544 292 G N -0.904 107.955 108.800 0.099 0.000 2.148 292 G HA2 -0.390 3.569 3.960 -0.002 0.000 0.254 292 G HA3 -0.390 3.569 3.960 -0.002 0.000 0.254 292 G C 0.929 175.913 174.900 0.141 0.000 0.981 292 G CA 0.955 46.126 45.100 0.118 0.000 0.670 292 G HN 0.550 nan 8.290 nan 0.000 0.528 293 K N 0.207 120.701 120.400 0.157 0.000 2.262 293 K HA 0.439 4.758 4.320 -0.002 0.000 0.200 293 K C 1.743 178.507 176.600 0.274 0.000 1.049 293 K CA 0.511 56.892 56.287 0.156 0.000 0.979 293 K CB 0.140 32.664 32.500 0.040 0.000 0.773 293 K HN 0.675 nan 8.250 nan 0.000 0.474 294 A N 3.419 126.388 122.820 0.249 0.000 2.580 294 A HA -0.066 4.253 4.320 -0.002 0.000 0.244 294 A C 0.098 177.759 177.584 0.129 0.000 1.045 294 A CA 0.162 52.229 52.037 0.050 0.000 0.761 294 A CB -0.537 18.413 19.000 -0.083 0.000 0.962 294 A HN 0.537 nan 8.150 nan 0.000 0.512 295 N N 0.645 119.311 118.700 -0.056 0.000 2.604 295 N HA 0.386 5.125 4.740 -0.002 0.000 0.297 295 N C 1.167 176.754 175.510 0.128 0.000 1.266 295 N CA -0.155 52.931 53.050 0.061 0.000 0.961 295 N CB 0.911 39.405 38.487 0.010 0.000 1.166 295 N HN 0.527 nan 8.380 nan 0.000 0.601 296 S N -0.087 115.690 115.700 0.128 0.000 2.368 296 S HA -0.202 4.267 4.470 -0.002 0.000 0.225 296 S C 1.831 176.461 174.600 0.050 0.000 1.030 296 S CA 0.696 58.978 58.200 0.136 0.000 0.999 296 S CB -0.609 62.633 63.200 0.070 0.000 0.844 296 S HN 0.538 nan 8.310 nan 0.000 0.459 297 L N 0.576 121.770 121.223 -0.047 0.000 2.131 297 L HA 0.038 4.377 4.340 -0.002 0.000 0.210 297 L C 2.244 179.077 176.870 -0.061 0.000 1.092 297 L CA 1.592 56.346 54.840 -0.144 0.000 0.759 297 L CB -1.235 40.575 42.059 -0.415 0.000 0.903 297 L HN 0.482 nan 8.230 nan 0.000 0.435 298 Y N -1.085 119.090 120.300 -0.209 0.000 2.114 298 Y HA -0.305 4.244 4.550 -0.002 0.000 0.284 298 Y C 2.204 177.974 175.900 -0.218 0.000 1.143 298 Y CA 1.994 59.919 58.100 -0.291 0.000 1.135 298 Y CB -0.676 37.360 38.460 -0.707 0.000 0.980 298 Y HN 0.246 nan 8.280 nan 0.000 0.499 299 Y N 0.533 120.742 120.300 -0.152 0.000 2.242 299 Y HA -0.187 4.362 4.550 -0.002 0.000 0.291 299 Y C 2.749 178.540 175.900 -0.182 0.000 1.137 299 Y CA 1.630 59.602 58.100 -0.213 0.000 1.181 299 Y CB -1.026 37.406 38.460 -0.046 0.000 0.989 299 Y HN 0.315 nan 8.280 nan 0.000 0.527 300 N N -0.289 118.406 118.700 -0.007 0.000 2.084 300 N HA -0.186 4.553 4.740 -0.002 0.000 0.190 300 N C 1.822 177.230 175.510 -0.171 0.000 1.030 300 N CA 1.601 54.594 53.050 -0.095 0.000 0.849 300 N CB -0.021 38.422 38.487 -0.073 0.000 1.012 300 N HN 0.248 nan 8.380 nan 0.000 0.423 301 S N 0.753 116.374 115.700 -0.131 0.000 2.356 301 S HA -0.087 4.382 4.470 -0.002 0.000 0.223 301 S C 2.021 176.517 174.600 -0.174 0.000 1.032 301 S CA 1.019 59.137 58.200 -0.137 0.000 1.005 301 S CB -0.143 63.137 63.200 0.134 0.000 0.867 301 S HN 0.353 nan 8.310 nan 0.000 0.449 302 M N 0.827 120.316 119.600 -0.185 0.000 2.159 302 M HA 0.050 4.529 4.480 -0.002 0.000 0.263 302 M C 2.096 178.469 176.300 0.121 0.000 1.063 302 M CA 1.344 56.584 55.300 -0.099 0.000 1.110 302 M CB -1.294 31.194 32.600 -0.188 0.000 1.374 302 M HN 0.356 nan 8.290 nan 0.000 0.411 303 M N -0.636 118.995 119.600 0.053 0.000 2.099 303 M HA -0.166 4.313 4.480 -0.002 0.000 0.262 303 M C 2.175 178.399 176.300 -0.127 0.000 1.067 303 M CA 1.416 56.706 55.300 -0.016 0.000 1.124 303 M CB -0.419 31.966 32.600 -0.359 0.000 1.353 303 M HN 0.149 nan 8.290 nan 0.000 0.410 304 I N 0.380 120.832 120.570 -0.196 0.000 2.208 304 I HA -0.315 3.854 4.170 -0.002 0.000 0.245 304 I C 2.267 178.362 176.117 -0.036 0.000 1.097 304 I CA 1.294 62.482 61.300 -0.187 0.000 1.363 304 I CB -0.412 37.367 38.000 -0.369 0.000 1.051 304 I HN 0.319 nan 8.210 nan 0.000 0.413 305 L N 0.180 121.385 121.223 -0.030 0.000 2.027 305 L HA -0.198 4.141 4.340 -0.002 0.000 0.206 305 L C 2.646 179.757 176.870 0.402 0.000 1.074 305 L CA 1.188 56.051 54.840 0.039 0.000 0.745 305 L CB -0.681 41.166 42.059 -0.354 0.000 0.898 305 L HN 0.182 nan 8.230 nan 0.000 0.433 306 K N 0.550 121.228 120.400 0.463 0.000 2.147 306 K HA -0.106 4.212 4.320 -0.002 0.000 0.205 306 K C 1.834 178.690 176.600 0.427 0.000 1.049 306 K CA 1.391 57.986 56.287 0.513 0.000 0.936 306 K CB -0.072 32.560 32.500 0.219 0.000 0.722 306 K HN 0.276 nan 8.250 nan 0.000 0.446 307 A N 0.005 123.068 122.820 0.404 0.000 2.238 307 A HA 0.038 4.357 4.320 -0.002 0.000 0.208 307 A C 1.441 179.247 177.584 0.372 0.000 1.177 307 A CA 0.532 52.809 52.037 0.399 0.000 0.804 307 A CB 0.082 19.252 19.000 0.283 0.000 0.823 307 A HN 0.121 nan 8.150 nan 0.000 0.482 308 S N -0.077 115.810 115.700 0.313 0.000 2.614 308 S HA 0.116 4.585 4.470 -0.002 0.000 0.230 308 S C 0.331 174.967 174.600 0.060 0.000 0.952 308 S CA -0.365 57.944 58.200 0.182 0.000 0.949 308 S CB -0.038 63.285 63.200 0.205 0.000 0.786 308 S HN 0.733 nan 8.310 nan 0.000 0.478 309 E N 2.002 122.187 120.200 -0.024 0.000 2.231 309 E HA 0.207 4.556 4.350 -0.002 0.000 0.277 309 E C -0.933 175.607 176.600 -0.101 0.000 0.999 309 E CA -0.608 55.506 56.400 -0.476 0.000 0.827 309 E CB 0.835 30.101 29.700 -0.722 0.000 1.101 309 E HN 0.054 nan 8.360 nan 0.000 0.393 310 D N 2.599 122.877 120.400 -0.204 0.000 2.362 310 D HA 0.013 4.652 4.640 -0.002 0.000 0.242 310 D C 0.331 176.746 176.300 0.191 0.000 1.132 310 D CA 0.215 54.204 54.000 -0.018 0.000 0.907 310 D CB 0.971 41.689 40.800 -0.137 0.000 1.195 310 D HN 0.363 nan 8.370 nan 0.000 0.429 311 K N 1.055 121.692 120.400 0.396 0.000 2.404 311 K HA 0.075 4.394 4.320 -0.002 0.000 0.194 311 K C 0.912 177.616 176.600 0.173 0.000 1.023 311 K CA 0.312 56.851 56.287 0.419 0.000 1.094 311 K CB 0.536 33.256 32.500 0.368 0.000 0.841 311 K HN 0.389 nan 8.250 nan 0.000 0.523 312 T N 0.286 114.892 114.554 0.087 0.000 3.087 312 T HA 0.059 4.407 4.350 -0.002 0.000 0.237 312 T C 0.641 175.320 174.700 -0.035 0.000 0.990 312 T CA 0.164 62.270 62.100 0.009 0.000 1.160 312 T CB 0.171 69.055 68.868 0.026 0.000 0.923 312 T HN 0.037 nan 8.240 nan 0.000 0.442 313 N N 3.062 121.748 118.700 -0.023 0.000 2.918 313 N HA 0.210 4.949 4.740 -0.002 0.000 0.247 313 N C -0.722 174.734 175.510 -0.090 0.000 1.117 313 N CA 0.032 53.075 53.050 -0.012 0.000 1.005 313 N CB 0.609 39.122 38.487 0.045 0.000 1.297 313 N HN 0.411 nan 8.380 nan 0.000 0.513 314 K N -0.294 120.044 120.400 -0.104 0.000 2.485 314 K HA 0.103 4.422 4.320 -0.002 0.000 0.277 314 K C 1.154 177.693 176.600 -0.102 0.000 0.990 314 K CA 0.531 56.734 56.287 -0.140 0.000 0.994 314 K CB 0.550 32.931 32.500 -0.197 0.000 0.906 314 K HN 0.616 nan 8.250 nan 0.000 0.488 315 G N 0.859 109.549 108.800 -0.182 0.000 2.234 315 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.235 315 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.235 315 G C 0.222 174.903 174.900 -0.366 0.000 0.997 315 G CA -0.051 45.013 45.100 -0.060 0.000 0.623 315 G HN 0.797 nan 8.290 nan 0.000 0.514 316 A N 0.709 123.036 122.820 -0.821 0.000 2.797 316 A HA 0.633 4.952 4.320 -0.002 0.000 0.296 316 A C -0.273 176.954 177.584 -0.596 0.000 1.580 316 A CA -0.088 51.294 52.037 -1.092 0.000 1.277 316 A CB -0.476 17.889 19.000 -1.058 0.000 1.101 316 A HN 0.533 nan 8.150 nan 0.000 0.562 317 Y N 2.494 122.686 120.300 -0.180 0.000 2.350 317 Y HA 0.415 4.963 4.550 -0.002 0.000 0.340 317 Y C 0.899 176.794 175.900 -0.008 0.000 1.006 317 Y CA -0.562 57.525 58.100 -0.021 0.000 1.166 317 Y CB 0.804 39.326 38.460 0.105 0.000 1.168 317 Y HN 0.679 nan 8.280 nan 0.000 0.502 318 I N -0.239 120.382 120.570 0.084 0.000 3.021 318 I HA 0.557 4.726 4.170 -0.002 0.000 0.303 318 I C 1.002 177.226 176.117 0.177 0.000 1.044 318 I CA -0.544 60.807 61.300 0.085 0.000 1.266 318 I CB 1.215 39.200 38.000 -0.025 0.000 1.447 318 I HN 0.618 nan 8.210 nan 0.000 0.593 319 A N 2.453 125.413 122.820 0.235 0.000 1.970 319 A HA 0.131 4.449 4.320 -0.002 0.000 0.216 319 A C 1.194 178.899 177.584 0.202 0.000 1.170 319 A CA 1.271 53.432 52.037 0.207 0.000 0.645 319 A CB -0.292 18.729 19.000 0.035 0.000 0.816 319 A HN 0.837 nan 8.150 nan 0.000 0.447 320 S N -2.030 113.780 115.700 0.183 0.000 2.579 320 S HA 0.353 4.822 4.470 -0.002 0.000 0.290 320 S C -1.443 173.171 174.600 0.024 0.000 1.123 320 S CA -0.646 57.614 58.200 0.099 0.000 0.894 320 S CB 0.690 63.948 63.200 0.097 0.000 1.095 320 S HN 0.482 nan 8.310 nan 0.000 0.450 321 L N 5.101 126.284 121.223 -0.068 0.000 2.533 321 L HA 0.580 4.919 4.340 -0.002 0.000 0.239 321 L C -0.028 176.819 176.870 -0.038 0.000 1.376 321 L CA 0.740 55.484 54.840 -0.160 0.000 1.240 321 L CB -1.085 40.823 42.059 -0.252 0.000 1.487 321 L HN 0.732 nan 8.230 nan 0.000 0.419 322 S N 0.521 116.229 115.700 0.014 0.000 2.615 322 S HA 0.647 5.116 4.470 -0.002 0.000 0.269 322 S C -0.738 173.844 174.600 -0.030 0.000 1.161 322 S CA -0.895 57.304 58.200 -0.003 0.000 0.817 322 S CB 1.040 64.163 63.200 -0.128 0.000 1.131 322 S HN 0.078 nan 8.310 nan 0.000 0.467 323 I N 2.394 122.926 120.570 -0.063 0.000 2.464 323 I HA 0.362 4.531 4.170 -0.002 0.000 0.277 323 I C -2.428 173.616 176.117 -0.121 0.000 1.040 323 I CA -2.351 58.900 61.300 -0.081 0.000 1.153 323 I CB 1.997 39.936 38.000 -0.102 0.000 1.274 323 I HN 0.470 nan 8.210 nan 0.000 0.469 324 P HA -0.191 nan 4.420 nan 0.000 0.263 324 P C -0.023 177.188 177.300 -0.149 0.000 1.175 324 P CA 0.492 63.246 63.100 -0.576 0.000 0.761 324 P CB 0.332 31.478 31.700 -0.923 0.000 0.794 325 W N 1.235 122.497 121.300 -0.064 0.000 5.400 325 W HA -0.167 4.492 4.660 -0.002 0.000 0.357 325 W C 1.379 177.939 176.519 0.069 0.000 1.291 325 W CA 0.816 58.153 57.345 -0.013 0.000 0.911 325 W CB -2.757 26.686 29.460 -0.027 0.000 2.382 325 W HN 0.629 nan 8.180 nan 0.000 1.557 326 G N 1.484 110.412 108.800 0.212 0.000 2.442 326 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.219 326 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.219 326 G C 1.180 176.282 174.900 0.336 0.000 1.141 326 G CA 1.462 46.751 45.100 0.314 0.000 0.763 326 G HN 0.434 nan 8.290 nan 0.000 0.554 327 D N 0.446 120.994 120.400 0.248 0.000 2.371 327 D HA 0.088 4.727 4.640 -0.002 0.000 0.234 327 D C 1.686 178.122 176.300 0.227 0.000 1.049 327 D CA 0.742 54.871 54.000 0.215 0.000 0.907 327 D CB -0.348 40.553 40.800 0.168 0.000 0.891 327 D HN 0.337 nan 8.370 nan 0.000 0.531 328 G N -0.687 108.269 108.800 0.261 0.000 3.274 328 G HA2 0.023 3.981 3.960 -0.002 0.000 0.250 328 G HA3 0.023 3.981 3.960 -0.002 0.000 0.250 328 G C 0.298 175.393 174.900 0.324 0.000 1.024 328 G CA -0.327 44.947 45.100 0.290 0.000 0.840 328 G HN 0.007 nan 8.290 nan 0.000 0.522 329 Q N 0.581 120.571 119.800 0.315 0.000 2.306 329 Q HA 0.402 4.741 4.340 -0.002 0.000 0.265 329 Q C -0.381 175.787 176.000 0.279 0.000 1.022 329 Q CA -0.765 55.238 55.803 0.333 0.000 0.853 329 Q CB 2.126 31.108 28.738 0.407 0.000 1.327 329 Q HN 0.215 nan 8.270 nan 0.000 0.449 330 R N 1.264 121.897 120.500 0.223 0.000 2.734 330 R HA -0.043 4.296 4.340 -0.002 0.000 0.266 330 R C -0.126 176.220 176.300 0.077 0.000 1.044 330 R CA -0.009 56.162 56.100 0.119 0.000 1.128 330 R CB 0.443 30.804 30.300 0.101 0.000 1.010 330 R HN 0.624 nan 8.270 nan 0.000 0.461 331 D N 1.011 121.300 120.400 -0.184 0.000 2.490 331 D HA -0.013 4.626 4.640 -0.002 0.000 0.255 331 D C -0.536 175.704 176.300 -0.100 0.000 1.248 331 D CA 0.131 53.801 54.000 -0.550 0.000 0.887 331 D CB -0.184 40.001 40.800 -1.025 0.000 0.978 331 D HN 0.254 nan 8.370 nan 0.000 0.491 332 D N 0.234 120.751 120.400 0.195 0.000 2.398 332 D HA 0.026 4.664 4.640 -0.002 0.000 0.247 332 D C 0.199 176.763 176.300 0.440 0.000 1.227 332 D CA -0.422 53.725 54.000 0.245 0.000 0.980 332 D CB 0.368 41.293 40.800 0.208 0.000 1.106 332 D HN 0.128 nan 8.370 nan 0.000 0.493 333 N N -0.418 118.485 118.700 0.339 0.000 2.452 333 N HA 0.040 4.779 4.740 -0.002 0.000 0.266 333 N C -1.288 174.456 175.510 0.390 0.000 1.209 333 N CA 0.615 53.891 53.050 0.376 0.000 0.929 333 N CB 0.308 38.960 38.487 0.275 0.000 1.063 333 N HN 0.095 nan 8.380 nan 0.000 0.472 334 T N 1.764 116.548 114.554 0.383 0.000 2.916 334 T HA 0.450 4.799 4.350 -0.002 0.000 0.305 334 T C 1.077 175.851 174.700 0.123 0.000 1.119 334 T CA -0.568 61.704 62.100 0.286 0.000 1.008 334 T CB 1.726 70.718 68.868 0.207 0.000 1.129 334 T HN 0.492 nan 8.240 nan 0.000 0.480 335 G N 0.156 108.865 108.800 -0.151 0.000 2.683 335 G HA2 0.422 4.381 3.960 -0.002 0.000 0.213 335 G HA3 0.422 4.381 3.960 -0.002 0.000 0.213 335 G C 1.069 175.285 174.900 -1.139 0.000 1.142 335 G CA 0.561 45.125 45.100 -0.894 0.000 0.793 335 G HN 1.277 nan 8.290 nan 0.000 0.534 336 G N 0.181 108.648 108.800 -0.554 0.000 2.634 336 G HA2 -0.374 3.585 3.960 -0.002 0.000 0.309 336 G HA3 -0.374 3.585 3.960 -0.002 0.000 0.309 336 G C 0.638 175.479 174.900 -0.098 0.000 1.265 336 G CA 0.808 45.744 45.100 -0.274 0.000 0.998 336 G HN 0.282 nan 8.290 nan 0.000 0.551 337 Y N 2.033 122.166 120.300 -0.279 0.000 2.467 337 Y HA 0.280 4.829 4.550 -0.002 0.000 0.250 337 Y C 1.722 177.589 175.900 -0.056 0.000 1.155 337 Y CA 0.565 58.645 58.100 -0.035 0.000 1.249 337 Y CB -0.176 38.264 38.460 -0.033 0.000 1.146 337 Y HN 0.693 nan 8.280 nan 0.000 0.524 338 H N -1.251 117.800 119.070 -0.033 0.000 2.768 338 H HA 0.531 5.086 4.556 -0.002 0.000 0.219 338 H C -0.866 174.297 175.328 -0.277 0.000 1.898 338 H CA -0.360 55.586 56.048 -0.170 0.000 1.313 338 H CB -0.589 29.017 29.762 -0.260 0.000 1.701 338 H HN -0.069 nan 8.280 nan 0.000 0.534 339 L N 0.906 121.993 121.223 -0.227 0.000 2.359 339 L HA 0.452 4.791 4.340 -0.002 0.000 0.256 339 L C -0.603 176.138 176.870 -0.214 0.000 1.026 339 L CA -1.381 53.178 54.840 -0.469 0.000 0.828 339 L CB 2.565 43.968 42.059 -1.094 0.000 1.406 339 L HN 0.241 nan 8.230 nan 0.000 0.413 340 V N 0.908 120.675 119.914 -0.245 0.000 2.370 340 V HA 0.363 4.482 4.120 -0.002 0.000 0.279 340 V C -0.892 175.181 176.094 -0.035 0.000 1.029 340 V CA -0.605 61.688 62.300 -0.012 0.000 0.870 340 V CB 1.295 33.176 31.823 0.096 0.000 0.984 340 V HN 0.514 nan 8.190 nan 0.000 0.451 341 W N 2.986 124.282 121.300 -0.006 0.000 2.475 341 W HA 0.246 4.905 4.660 -0.002 0.000 0.317 341 W C 1.437 177.970 176.519 0.024 0.000 1.046 341 W CA -0.449 56.898 57.345 0.002 0.000 1.215 341 W CB 2.223 31.674 29.460 -0.015 0.000 1.335 341 W HN 0.717 nan 8.180 nan 0.000 0.471 342 S N 3.204 119.038 115.700 0.223 0.000 2.374 342 S HA -0.268 4.201 4.470 -0.002 0.000 0.227 342 S C 1.956 176.611 174.600 0.090 0.000 1.037 342 S CA 1.682 59.965 58.200 0.140 0.000 1.024 342 S CB -0.128 63.117 63.200 0.075 0.000 0.861 342 S HN 0.574 nan 8.310 nan 0.000 0.456 343 R N 0.584 121.122 120.500 0.064 0.000 2.082 343 R HA -0.132 4.207 4.340 -0.002 0.000 0.234 343 R C 1.775 177.953 176.300 -0.204 0.000 1.136 343 R CA 2.336 58.371 56.100 -0.109 0.000 0.935 343 R CB -0.763 29.447 30.300 -0.149 0.000 0.842 343 R HN 0.407 nan 8.270 nan 0.000 0.430 344 D N 0.712 121.019 120.400 -0.156 0.000 2.123 344 D HA -0.204 4.435 4.640 -0.002 0.000 0.196 344 D C 1.869 178.161 176.300 -0.013 0.000 0.992 344 D CA 1.278 55.182 54.000 -0.161 0.000 0.833 344 D CB -0.199 40.621 40.800 0.033 0.000 0.954 344 D HN 0.274 nan 8.370 nan 0.000 0.455 345 L N -0.448 120.832 121.223 0.094 0.000 2.046 345 L HA -0.221 4.118 4.340 -0.002 0.000 0.208 345 L C 2.288 179.204 176.870 0.078 0.000 1.077 345 L CA 1.270 56.194 54.840 0.140 0.000 0.747 345 L CB -0.297 41.899 42.059 0.228 0.000 0.896 345 L HN 0.077 nan 8.230 nan 0.000 0.432 346 Y N 0.089 120.322 120.300 -0.113 0.000 2.128 346 Y HA -0.337 4.212 4.550 -0.002 0.000 0.284 346 Y C 2.609 178.375 175.900 -0.224 0.000 1.154 346 Y CA 2.186 60.169 58.100 -0.195 0.000 1.149 346 Y CB -0.570 37.684 38.460 -0.344 0.000 0.976 346 Y HN 0.326 nan 8.280 nan 0.000 0.505 347 H N -1.193 117.693 119.070 -0.308 0.000 2.389 347 H HA -0.088 4.466 4.556 -0.002 0.000 0.299 347 H C 2.569 177.769 175.328 -0.215 0.000 1.081 347 H CA 1.672 57.503 56.048 -0.361 0.000 1.345 347 H CB -0.579 28.973 29.762 -0.349 0.000 1.393 347 H HN 0.346 nan 8.280 nan 0.000 0.520 348 V N 1.171 121.055 119.914 -0.050 0.000 2.427 348 V HA -0.214 3.905 4.120 -0.002 0.000 0.248 348 V C 2.751 178.737 176.094 -0.180 0.000 1.051 348 V CA 1.393 63.608 62.300 -0.142 0.000 1.048 348 V CB -0.895 30.854 31.823 -0.124 0.000 0.666 348 V HN 0.449 nan 8.190 nan 0.000 0.456 349 A N 0.330 123.117 122.820 -0.055 0.000 1.902 349 A HA -0.215 4.103 4.320 -0.002 0.000 0.217 349 A C 2.043 179.636 177.584 0.016 0.000 1.181 349 A CA 1.912 53.992 52.037 0.072 0.000 0.623 349 A CB -0.612 18.419 19.000 0.052 0.000 0.818 349 A HN 0.584 nan 8.150 nan 0.000 0.443 350 N N 0.463 119.082 118.700 -0.135 0.000 2.223 350 N HA -0.085 4.654 4.740 -0.002 0.000 0.185 350 N C 1.827 177.319 175.510 -0.031 0.000 1.016 350 N CA 1.389 54.370 53.050 -0.115 0.000 0.863 350 N CB -0.495 37.856 38.487 -0.225 0.000 0.983 350 N HN 0.492 nan 8.380 nan 0.000 0.429 351 A N 0.576 123.352 122.820 -0.073 0.000 1.873 351 A HA -0.064 4.255 4.320 -0.002 0.000 0.215 351 A C 1.930 179.500 177.584 -0.024 0.000 1.186 351 A CA 0.882 52.872 52.037 -0.078 0.000 0.616 351 A CB -0.842 18.036 19.000 -0.204 0.000 0.823 351 A HN 0.119 nan 8.150 nan 0.000 0.442 352 F N 0.419 120.374 119.950 0.008 0.000 2.126 352 F HA -0.192 4.334 4.527 -0.002 0.000 0.299 352 F C 2.223 178.050 175.800 0.045 0.000 1.096 352 F CA 0.840 58.858 58.000 0.029 0.000 1.255 352 F CB -0.444 38.547 39.000 -0.014 0.000 0.997 352 F HN 0.117 nan 8.300 nan 0.000 0.479 353 I N 0.108 120.804 120.570 0.209 0.000 2.127 353 I HA -0.294 3.874 4.170 -0.002 0.000 0.241 353 I C 2.680 178.869 176.117 0.120 0.000 1.075 353 I CA 1.630 63.004 61.300 0.124 0.000 1.334 353 I CB -1.936 36.102 38.000 0.064 0.000 1.040 353 I HN 0.084 nan 8.210 nan 0.000 0.405 354 A N 0.705 123.603 122.820 0.130 0.000 1.978 354 A HA -0.096 4.223 4.320 -0.002 0.000 0.220 354 A C 2.403 180.147 177.584 0.268 0.000 1.170 354 A CA 1.918 54.063 52.037 0.180 0.000 0.636 354 A CB -0.674 18.433 19.000 0.178 0.000 0.810 354 A HN 0.451 nan 8.150 nan 0.000 0.448 355 A N -2.310 120.672 122.820 0.270 0.000 2.169 355 A HA 0.401 4.719 4.320 -0.002 0.000 0.212 355 A C 1.904 179.589 177.584 0.168 0.000 1.153 355 A CA 1.286 53.511 52.037 0.313 0.000 0.756 355 A CB -0.704 18.450 19.000 0.257 0.000 0.813 355 A HN 1.857 nan 8.150 nan 0.000 0.471 356 G N -0.555 108.320 108.800 0.124 0.000 2.194 356 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.236 356 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.236 356 G C 0.177 175.127 174.900 0.083 0.000 0.987 356 G CA 0.371 45.509 45.100 0.063 0.000 0.635 356 G HN 0.532 nan 8.290 nan 0.000 0.520 357 D N 1.368 121.860 120.400 0.154 0.000 2.713 357 D HA 0.452 5.091 4.640 -0.002 0.000 0.229 357 D C 1.787 178.145 176.300 0.098 0.000 1.136 357 D CA 0.077 54.170 54.000 0.155 0.000 1.010 357 D CB 0.257 41.238 40.800 0.301 0.000 1.084 357 D HN 0.121 nan 8.370 nan 0.000 0.495 358 V N 1.709 121.660 119.914 0.061 0.000 2.594 358 V HA -0.198 3.921 4.120 -0.002 0.000 0.253 358 V C 1.724 177.819 176.094 0.002 0.000 1.069 358 V CA 1.304 63.625 62.300 0.035 0.000 1.082 358 V CB -0.261 31.572 31.823 0.017 0.000 0.680 358 V HN 0.351 nan 8.190 nan 0.000 0.469 359 D N 0.256 120.653 120.400 -0.006 0.000 2.097 359 D HA -0.129 4.510 4.640 -0.002 0.000 0.195 359 D C 2.462 178.724 176.300 -0.064 0.000 0.989 359 D CA 1.773 55.762 54.000 -0.018 0.000 0.827 359 D CB -0.286 40.515 40.800 0.002 0.000 0.966 359 D HN 0.380 nan 8.370 nan 0.000 0.456 360 S N 0.318 115.904 115.700 -0.191 0.000 2.368 360 S HA -0.133 4.336 4.470 -0.002 0.000 0.225 360 S C 2.077 176.525 174.600 -0.253 0.000 1.030 360 S CA 1.076 59.036 58.200 -0.400 0.000 0.999 360 S CB -0.278 62.135 63.200 -1.311 0.000 0.844 360 S HN 0.372 nan 8.310 nan 0.000 0.459 361 A N 2.846 125.579 122.820 -0.146 0.000 1.865 361 A HA -0.188 4.130 4.320 -0.002 0.000 0.217 361 A C 2.002 179.618 177.584 0.054 0.000 1.191 361 A CA 1.656 53.713 52.037 0.034 0.000 0.623 361 A CB -0.852 18.196 19.000 0.080 0.000 0.826 361 A HN 0.451 nan 8.150 nan 0.000 0.444 362 N N -0.661 118.057 118.700 0.028 0.000 2.104 362 N HA -0.166 4.573 4.740 -0.002 0.000 0.190 362 N C 1.919 177.468 175.510 0.064 0.000 1.024 362 N CA 1.389 54.461 53.050 0.038 0.000 0.853 362 N CB -0.387 38.108 38.487 0.013 0.000 1.008 362 N HN 0.540 nan 8.380 nan 0.000 0.424 363 R N 0.771 121.310 120.500 0.065 0.000 2.105 363 R HA -0.102 4.236 4.340 -0.002 0.000 0.239 363 R C 2.425 178.831 176.300 0.175 0.000 1.135 363 R CA 1.692 57.848 56.100 0.094 0.000 0.967 363 R CB -0.085 30.264 30.300 0.081 0.000 0.861 363 R HN 0.317 nan 8.270 nan 0.000 0.442 364 S N 0.243 116.083 115.700 0.233 0.000 2.387 364 S HA -0.135 4.334 4.470 -0.002 0.000 0.226 364 S C 1.947 176.706 174.600 0.265 0.000 1.026 364 S CA 0.828 59.221 58.200 0.323 0.000 0.972 364 S CB -0.322 63.088 63.200 0.349 0.000 0.814 364 S HN 0.289 nan 8.310 nan 0.000 0.477 365 L N 2.543 123.872 121.223 0.177 0.000 2.017 365 L HA -0.036 4.302 4.340 -0.002 0.000 0.208 365 L C 1.767 178.705 176.870 0.114 0.000 1.073 365 L CA 2.106 57.028 54.840 0.135 0.000 0.745 365 L CB -1.029 41.088 42.059 0.096 0.000 0.894 365 L HN 0.171 nan 8.230 nan 0.000 0.432 366 D N -1.721 118.744 120.400 0.108 0.000 2.218 366 D HA -0.245 4.394 4.640 -0.002 0.000 0.204 366 D C 1.954 178.309 176.300 0.091 0.000 0.976 366 D CA 1.258 55.304 54.000 0.078 0.000 0.853 366 D CB -0.144 40.695 40.800 0.064 0.000 0.939 366 D HN 0.494 nan 8.370 nan 0.000 0.481 367 Y N 1.439 121.763 120.300 0.040 0.000 2.200 367 Y HA -0.117 4.432 4.550 -0.002 0.000 0.290 367 Y C 2.164 178.083 175.900 0.031 0.000 1.137 367 Y CA 1.151 59.271 58.100 0.033 0.000 1.163 367 Y CB -0.431 38.059 38.460 0.052 0.000 0.988 367 Y HN -0.110 nan 8.280 nan 0.000 0.518 368 L N -0.235 120.989 121.223 0.002 0.000 2.083 368 L HA -0.225 4.114 4.340 -0.002 0.000 0.209 368 L C 2.772 179.571 176.870 -0.119 0.000 1.083 368 L CA 1.142 55.936 54.840 -0.078 0.000 0.752 368 L CB -1.020 41.069 42.059 0.049 0.000 0.899 368 L HN 0.336 nan 8.230 nan 0.000 0.433 369 A N 0.263 123.044 122.820 -0.065 0.000 1.902 369 A HA -0.259 4.060 4.320 -0.002 0.000 0.217 369 A C 2.427 179.948 177.584 -0.106 0.000 1.181 369 A CA 2.019 54.020 52.037 -0.060 0.000 0.623 369 A CB -0.450 18.538 19.000 -0.021 0.000 0.818 369 A HN 0.374 nan 8.150 nan 0.000 0.443 370 K N -0.163 120.146 120.400 -0.151 0.000 2.026 370 K HA -0.106 4.213 4.320 -0.002 0.000 0.208 370 K C 1.825 178.291 176.600 -0.223 0.000 1.048 370 K CA 1.721 57.903 56.287 -0.174 0.000 0.929 370 K CB -0.355 32.029 32.500 -0.194 0.000 0.713 370 K HN 0.203 nan 8.250 nan 0.000 0.439 371 V N 1.159 120.865 119.914 -0.347 0.000 2.255 371 V HA -0.260 3.858 4.120 -0.002 0.000 0.247 371 V C 2.427 178.418 176.094 -0.172 0.000 1.051 371 V CA 1.791 63.918 62.300 -0.288 0.000 1.018 371 V CB -0.324 31.303 31.823 -0.326 0.000 0.641 371 V HN 0.204 nan 8.190 nan 0.000 0.445 372 V N 0.062 119.887 119.914 -0.148 0.000 2.392 372 V HA -0.300 3.819 4.120 -0.002 0.000 0.249 372 V C 2.436 178.464 176.094 -0.111 0.000 1.059 372 V CA 2.393 64.622 62.300 -0.118 0.000 1.051 372 V CB -0.712 31.055 31.823 -0.094 0.000 0.658 372 V HN 0.611 nan 8.190 nan 0.000 0.455 373 K N -0.179 120.160 120.400 -0.103 0.000 2.097 373 K HA -0.191 4.128 4.320 -0.002 0.000 0.205 373 K C 1.626 178.177 176.600 -0.081 0.000 1.050 373 K CA 1.726 57.963 56.287 -0.084 0.000 0.938 373 K CB -0.118 32.339 32.500 -0.071 0.000 0.718 373 K HN 0.444 nan 8.250 nan 0.000 0.442 374 D N 0.302 120.647 120.400 -0.091 0.000 2.249 374 D HA -0.048 4.590 4.640 -0.002 0.000 0.205 374 D C 1.012 177.267 176.300 -0.075 0.000 0.962 374 D CA 0.766 54.720 54.000 -0.076 0.000 0.860 374 D CB 0.089 40.845 40.800 -0.075 0.000 0.955 374 D HN 0.299 nan 8.370 nan 0.000 0.505 375 N N -0.575 118.069 118.700 -0.093 0.000 2.184 375 N HA 0.100 4.839 4.740 -0.002 0.000 0.206 375 N C 1.263 176.692 175.510 -0.136 0.000 1.151 375 N CA 0.611 53.602 53.050 -0.098 0.000 0.878 375 N CB 2.018 40.450 38.487 -0.092 0.000 1.014 375 N HN 0.139 nan 8.380 nan 0.000 0.512 376 G N 1.827 110.542 108.800 -0.142 0.000 2.189 376 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.267 376 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.267 376 G C 0.144 174.878 174.900 -0.277 0.000 0.975 376 G CA 1.294 46.286 45.100 -0.180 0.000 0.644 376 G HN 0.454 nan 8.290 nan 0.000 0.537 377 M N -1.865 117.582 119.600 -0.256 0.000 3.490 377 M HA 0.505 4.984 4.480 -0.002 0.000 0.306 377 M C -2.040 174.170 176.300 -0.151 0.000 1.248 377 M CA -1.024 54.096 55.300 -0.299 0.000 0.875 377 M CB 0.302 32.488 32.600 -0.689 0.000 1.761 377 M HN 0.158 nan 8.290 nan 0.000 0.529 378 I N 4.103 124.632 120.570 -0.069 0.000 2.291 378 I HA 0.407 4.576 4.170 -0.002 0.000 0.290 378 I C -2.104 174.017 176.117 0.008 0.000 1.050 378 I CA -1.422 59.866 61.300 -0.021 0.000 1.245 378 I CB 0.614 38.624 38.000 0.016 0.000 1.405 378 I HN 0.412 nan 8.210 nan 0.000 0.478 379 P HA 0.108 nan 4.420 nan 0.000 0.274 379 P C 0.638 177.951 177.300 0.022 0.000 1.237 379 P CA -0.327 62.780 63.100 0.011 0.000 0.793 379 P CB 1.244 32.940 31.700 -0.007 0.000 0.977 380 Q N 2.164 122.001 119.800 0.062 0.000 2.065 380 Q HA -0.223 4.116 4.340 -0.002 0.000 0.213 380 Q C 0.338 176.303 176.000 -0.059 0.000 1.012 380 Q CA 2.107 57.966 55.803 0.092 0.000 0.876 380 Q CB -0.042 28.813 28.738 0.195 0.000 0.954 380 Q HN 0.759 nan 8.270 nan 0.000 0.413 381 N N -2.881 115.692 118.700 -0.212 0.000 2.927 381 N HA 0.403 5.141 4.740 -0.002 0.000 0.248 381 N C -1.450 173.832 175.510 -0.380 0.000 1.443 381 N CA -0.326 52.387 53.050 -0.561 0.000 0.870 381 N CB 1.892 39.483 38.487 -1.493 0.000 1.444 381 N HN 0.090 nan 8.380 nan 0.000 0.519 382 T N -3.868 110.449 114.554 -0.395 0.000 2.843 382 T HA 0.468 4.817 4.350 -0.002 0.000 0.302 382 T C -1.276 173.286 174.700 -0.231 0.000 1.232 382 T CA -0.808 61.173 62.100 -0.197 0.000 1.009 382 T CB 0.923 69.787 68.868 -0.006 0.000 1.254 382 T HN 0.544 nan 8.240 nan 0.000 0.504 383 W N 0.859 122.119 121.300 -0.067 0.000 2.030 383 W HA 0.397 5.056 4.660 -0.002 0.000 0.360 383 W C 2.245 178.762 176.519 -0.003 0.000 1.370 383 W CA -0.690 56.625 57.345 -0.051 0.000 1.433 383 W CB 0.335 29.795 29.460 -0.000 0.000 1.204 383 W HN 0.801 nan 8.180 nan 0.000 0.649 384 I N -0.849 119.865 120.570 0.239 0.000 2.567 384 I HA -0.241 3.927 4.170 -0.002 0.000 0.257 384 I C 1.853 178.108 176.117 0.230 0.000 1.184 384 I CA 1.834 63.211 61.300 0.128 0.000 1.451 384 I CB -0.900 37.093 38.000 -0.011 0.000 1.089 384 I HN 0.384 nan 8.210 nan 0.000 0.441 385 S N 0.931 116.760 115.700 0.214 0.000 2.474 385 S HA 0.166 4.635 4.470 -0.002 0.000 0.235 385 S C 1.813 176.502 174.600 0.148 0.000 0.997 385 S CA 0.671 58.961 58.200 0.150 0.000 0.949 385 S CB -0.267 62.979 63.200 0.077 0.000 0.766 385 S HN 0.879 nan 8.310 nan 0.000 0.517 386 G N 0.926 109.840 108.800 0.191 0.000 2.195 386 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.224 386 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.224 386 G C -0.013 174.930 174.900 0.071 0.000 0.990 386 G CA 0.062 45.206 45.100 0.075 0.000 0.639 386 G HN 0.727 nan 8.290 nan 0.000 0.514 387 K N 2.560 123.043 120.400 0.137 0.000 2.383 387 K HA 0.371 4.690 4.320 -0.002 0.000 0.286 387 K C -1.852 174.873 176.600 0.208 0.000 1.051 387 K CA -1.402 54.973 56.287 0.147 0.000 0.974 387 K CB 0.790 33.374 32.500 0.141 0.000 0.968 387 K HN 0.145 nan 8.250 nan 0.000 0.475 388 P HA -0.113 nan 4.420 nan 0.000 0.266 388 P C -0.734 176.628 177.300 0.103 0.000 1.195 388 P CA 0.266 63.407 63.100 0.069 0.000 0.768 388 P CB 0.511 32.235 31.700 0.039 0.000 0.838 389 Y N 2.985 123.159 120.300 -0.210 0.000 2.351 389 Y HA 0.195 4.744 4.550 -0.002 0.000 0.291 389 Y C 0.604 176.332 175.900 -0.286 0.000 1.153 389 Y CA 0.835 58.690 58.100 -0.408 0.000 1.193 389 Y CB 0.283 38.159 38.460 -0.974 0.000 1.187 389 Y HN 0.280 nan 8.280 nan 0.000 0.524 390 W N -0.360 120.968 121.300 0.048 0.000 2.671 390 W HA 0.389 5.048 4.660 -0.002 0.000 0.360 390 W C 0.514 177.032 176.519 -0.001 0.000 1.128 390 W CA -0.660 56.695 57.345 0.017 0.000 1.184 390 W CB 0.804 30.309 29.460 0.075 0.000 1.415 390 W HN -0.226 nan 8.180 nan 0.000 0.604 391 T N -0.031 114.682 114.554 0.266 0.000 3.231 391 T HA 0.282 4.631 4.350 -0.002 0.000 0.292 391 T C 0.410 175.179 174.700 0.115 0.000 1.001 391 T CA -0.057 62.131 62.100 0.146 0.000 0.920 391 T CB -0.580 68.351 68.868 0.104 0.000 1.140 391 T HN 0.469 nan 8.240 nan 0.000 0.525 392 G N 1.664 110.537 108.800 0.122 0.000 2.614 392 G HA2 0.410 4.368 3.960 -0.002 0.000 0.239 392 G HA3 0.410 4.368 3.960 -0.002 0.000 0.239 392 G C -0.056 174.895 174.900 0.085 0.000 1.240 392 G CA -0.390 44.757 45.100 0.078 0.000 0.842 392 G HN 0.447 nan 8.290 nan 0.000 0.584 393 I N 1.241 121.847 120.570 0.061 0.000 2.310 393 I HA 0.186 4.355 4.170 -0.002 0.000 0.287 393 I C 0.212 176.347 176.117 0.029 0.000 1.073 393 I CA -0.085 61.256 61.300 0.068 0.000 1.216 393 I CB 0.582 38.613 38.000 0.052 0.000 1.415 393 I HN 0.444 nan 8.210 nan 0.000 0.480 394 Q N 5.142 124.973 119.800 0.051 0.000 2.398 394 Q HA 0.297 4.635 4.340 -0.002 0.000 0.251 394 Q C 0.907 176.907 176.000 -0.001 0.000 0.999 394 Q CA -0.568 55.246 55.803 0.018 0.000 0.874 394 Q CB 2.413 31.184 28.738 0.056 0.000 1.215 394 Q HN 0.492 nan 8.270 nan 0.000 0.470 395 L N 2.714 123.904 121.223 -0.056 0.000 2.079 395 L HA -0.215 4.123 4.340 -0.002 0.000 0.210 395 L C 1.958 178.793 176.870 -0.059 0.000 1.081 395 L CA 1.881 56.678 54.840 -0.072 0.000 0.752 395 L CB -0.793 41.189 42.059 -0.129 0.000 0.896 395 L HN 0.810 nan 8.230 nan 0.000 0.433 396 D N -0.354 120.001 120.400 -0.075 0.000 2.178 396 D HA -0.246 4.393 4.640 -0.002 0.000 0.201 396 D C 1.515 177.749 176.300 -0.110 0.000 0.980 396 D CA 1.060 54.999 54.000 -0.101 0.000 0.842 396 D CB -0.269 40.464 40.800 -0.112 0.000 0.948 396 D HN 0.435 nan 8.370 nan 0.000 0.472 397 E N -0.221 119.948 120.200 -0.053 0.000 2.358 397 E HA -0.082 4.266 4.350 -0.002 0.000 0.195 397 E C 2.014 178.602 176.600 -0.020 0.000 1.010 397 E CA 0.411 56.792 56.400 -0.032 0.000 0.856 397 E CB 0.160 29.884 29.700 0.039 0.000 0.795 397 E HN 0.365 nan 8.360 nan 0.000 0.504 398 Q N -0.308 119.494 119.800 0.004 0.000 2.269 398 Q HA 0.048 4.387 4.340 -0.002 0.000 0.201 398 Q C 1.918 177.909 176.000 -0.015 0.000 0.946 398 Q CA 0.887 56.717 55.803 0.044 0.000 0.877 398 Q CB 0.055 28.870 28.738 0.129 0.000 0.963 398 Q HN 0.193 nan 8.270 nan 0.000 0.472 399 A N 1.276 124.057 122.820 -0.065 0.000 1.935 399 A HA -0.101 4.217 4.320 -0.002 0.000 0.214 399 A C 1.650 179.124 177.584 -0.183 0.000 1.178 399 A CA 1.019 52.995 52.037 -0.101 0.000 0.640 399 A CB -0.148 18.796 19.000 -0.093 0.000 0.825 399 A HN 0.118 nan 8.150 nan 0.000 0.447 400 D N 0.278 120.493 120.400 -0.308 0.000 2.133 400 D HA -0.132 4.506 4.640 -0.002 0.000 0.195 400 D C -0.561 175.556 176.300 -0.305 0.000 0.997 400 D CA 1.837 55.477 54.000 -0.599 0.000 0.840 400 D CB -1.391 38.917 40.800 -0.820 0.000 0.947 400 D HN 0.362 nan 8.370 nan 0.000 0.452 401 P HA -0.068 nan 4.420 nan 0.000 0.220 401 P C 1.835 179.154 177.300 0.032 0.000 1.148 401 P CA 0.818 63.919 63.100 0.001 0.000 0.803 401 P CB -0.004 31.702 31.700 0.009 0.000 0.782 402 I N -0.758 119.813 120.570 0.001 0.000 2.286 402 I HA -0.166 4.003 4.170 -0.002 0.000 0.245 402 I C 2.605 178.787 176.117 0.109 0.000 1.104 402 I CA 1.088 62.419 61.300 0.050 0.000 1.397 402 I CB -0.556 37.446 38.000 0.004 0.000 1.072 402 I HN -0.183 nan 8.210 nan 0.000 0.417 403 I N 0.451 121.054 120.570 0.055 0.000 2.179 403 I HA -0.299 3.870 4.170 -0.002 0.000 0.242 403 I C 2.566 178.840 176.117 0.261 0.000 1.088 403 I CA 1.255 62.643 61.300 0.146 0.000 1.357 403 I CB -0.329 37.699 38.000 0.046 0.000 1.051 403 I HN 0.241 nan 8.210 nan 0.000 0.409 404 L N 0.403 121.772 121.223 0.243 0.000 2.083 404 L HA -0.175 4.164 4.340 -0.002 0.000 0.209 404 L C 2.552 179.514 176.870 0.154 0.000 1.083 404 L CA 1.807 56.793 54.840 0.244 0.000 0.752 404 L CB -0.592 41.624 42.059 0.262 0.000 0.899 404 L HN 0.070 nan 8.230 nan 0.000 0.433 405 S N -1.437 114.356 115.700 0.155 0.000 2.368 405 S HA -0.254 4.215 4.470 -0.002 0.000 0.225 405 S C 1.812 176.502 174.600 0.149 0.000 1.030 405 S CA 1.600 59.881 58.200 0.134 0.000 0.999 405 S CB -0.674 62.625 63.200 0.165 0.000 0.844 405 S HN 0.700 nan 8.310 nan 0.000 0.459 406 Y N 2.562 122.943 120.300 0.134 0.000 2.114 406 Y HA -0.155 4.394 4.550 -0.002 0.000 0.284 406 Y C 2.368 178.316 175.900 0.080 0.000 1.143 406 Y CA 1.544 59.741 58.100 0.162 0.000 1.135 406 Y CB -0.241 38.286 38.460 0.111 0.000 0.980 406 Y HN 0.038 nan 8.280 nan 0.000 0.499 407 R N 0.202 120.570 120.500 -0.220 0.000 2.127 407 R HA -0.140 4.199 4.340 -0.002 0.000 0.238 407 R C 2.024 178.188 176.300 -0.227 0.000 1.134 407 R CA 1.666 57.586 56.100 -0.299 0.000 0.975 407 R CB -0.447 29.838 30.300 -0.025 0.000 0.865 407 R HN 0.424 nan 8.270 nan 0.000 0.447 408 L N 0.555 121.696 121.223 -0.137 0.000 2.591 408 L HA 0.059 4.398 4.340 -0.002 0.000 0.228 408 L C 0.229 176.967 176.870 -0.221 0.000 1.133 408 L CA 0.225 54.991 54.840 -0.124 0.000 0.880 408 L CB -0.013 42.015 42.059 -0.051 0.000 1.033 408 L HN 0.111 nan 8.230 nan 0.000 0.450 409 K N 0.553 120.754 120.400 -0.333 0.000 3.035 409 K HA -0.177 4.141 4.320 -0.002 0.000 0.262 409 K C -0.224 175.869 176.600 -0.846 0.000 1.024 409 K CA 0.274 56.147 56.287 -0.691 0.000 0.748 409 K CB -0.963 31.232 32.500 -0.509 0.000 1.247 409 K HN 0.168 nan 8.250 nan 0.000 0.482 410 R N 1.072 121.321 120.500 -0.418 0.000 4.071 410 R HA 0.061 4.400 4.340 -0.002 0.000 0.220 410 R C 0.212 176.469 176.300 -0.072 0.000 1.614 410 R CA -0.022 55.947 56.100 -0.219 0.000 1.505 410 R CB -0.240 30.023 30.300 -0.061 0.000 1.384 410 R HN 0.254 nan 8.270 nan 0.000 0.758 411 Y N 0.374 120.731 120.300 0.095 0.000 2.639 411 Y HA -0.146 4.403 4.550 -0.002 0.000 0.297 411 Y C 1.835 177.797 175.900 0.104 0.000 1.151 411 Y CA 0.309 58.471 58.100 0.104 0.000 1.335 411 Y CB -0.315 38.179 38.460 0.056 0.000 0.994 411 Y HN 0.375 nan 8.280 nan 0.000 0.548 412 D N -0.161 120.338 120.400 0.165 0.000 2.347 412 D HA -0.102 4.537 4.640 -0.002 0.000 0.215 412 D C 1.187 177.565 176.300 0.130 0.000 0.976 412 D CA 0.663 54.739 54.000 0.128 0.000 0.884 412 D CB -0.243 40.597 40.800 0.067 0.000 0.915 412 D HN 0.390 nan 8.370 nan 0.000 0.526 413 L N -0.149 121.162 121.223 0.146 0.000 2.628 413 L HA 0.098 4.437 4.340 -0.002 0.000 0.229 413 L C 1.749 178.712 176.870 0.156 0.000 1.137 413 L CA -0.445 54.467 54.840 0.119 0.000 0.909 413 L CB -0.289 41.822 42.059 0.088 0.000 1.137 413 L HN -0.103 nan 8.230 nan 0.000 0.470 414 Y N 1.541 121.897 120.300 0.093 0.000 2.081 414 Y HA -0.334 4.215 4.550 -0.002 0.000 0.280 414 Y C 2.210 178.151 175.900 0.069 0.000 1.163 414 Y CA 1.936 60.093 58.100 0.094 0.000 1.135 414 Y CB 0.014 38.530 38.460 0.093 0.000 0.970 414 Y HN 0.274 nan 8.280 nan 0.000 0.498 415 D N -0.992 119.417 120.400 0.015 0.000 2.144 415 D HA -0.138 4.501 4.640 -0.002 0.000 0.200 415 D C 2.278 178.525 176.300 -0.089 0.000 0.978 415 D CA 1.805 55.754 54.000 -0.086 0.000 0.833 415 D CB -0.314 40.505 40.800 0.031 0.000 0.961 415 D HN 0.511 nan 8.370 nan 0.000 0.470 416 S N -0.802 114.875 115.700 -0.038 0.000 2.503 416 S HA 0.046 4.515 4.470 -0.002 0.000 0.217 416 S C 1.609 176.178 174.600 -0.050 0.000 0.999 416 S CA -0.023 58.153 58.200 -0.040 0.000 0.914 416 S CB 0.384 63.574 63.200 -0.016 0.000 0.782 416 S HN 0.123 nan 8.310 nan 0.000 0.520 417 L N 0.364 121.561 121.223 -0.044 0.000 2.738 417 L HA 0.473 4.812 4.340 -0.002 0.000 0.175 417 L C 2.138 178.978 176.870 -0.050 0.000 1.125 417 L CA 0.664 55.483 54.840 -0.035 0.000 0.857 417 L CB -0.510 41.552 42.059 0.005 0.000 1.300 417 L HN 0.072 nan 8.230 nan 0.000 0.499 418 V N 0.875 120.768 119.914 -0.035 0.000 2.233 418 V HA -0.318 3.801 4.120 -0.002 0.000 0.247 418 V C 2.554 178.555 176.094 -0.156 0.000 1.050 418 V CA 2.451 64.729 62.300 -0.036 0.000 1.010 418 V CB -0.752 31.156 31.823 0.142 0.000 0.637 418 V HN 0.493 nan 8.190 nan 0.000 0.444 419 K N 0.597 120.771 120.400 -0.377 0.000 1.991 419 K HA -0.174 4.144 4.320 -0.002 0.000 0.212 419 K C 0.061 176.594 176.600 -0.112 0.000 1.049 419 K CA 2.151 58.248 56.287 -0.317 0.000 0.932 419 K CB -1.277 30.873 32.500 -0.582 0.000 0.717 419 K HN 0.442 nan 8.250 nan 0.000 0.441 420 P HA -0.185 nan 4.420 nan 0.000 0.216 420 P C 1.425 178.723 177.300 -0.003 0.000 1.150 420 P CA 1.467 64.536 63.100 -0.051 0.000 0.837 420 P CB -0.041 31.613 31.700 -0.077 0.000 0.786 421 L N -0.991 120.220 121.223 -0.020 0.000 2.131 421 L HA -0.016 4.323 4.340 -0.002 0.000 0.206 421 L C 2.798 179.686 176.870 0.029 0.000 1.087 421 L CA 1.209 56.073 54.840 0.041 0.000 0.767 421 L CB -0.986 41.076 42.059 0.005 0.000 0.917 421 L HN -0.064 nan 8.230 nan 0.000 0.441 422 A N -0.045 122.711 122.820 -0.106 0.000 1.898 422 A HA -0.197 4.122 4.320 -0.002 0.000 0.216 422 A C 1.883 179.403 177.584 -0.107 0.000 1.181 422 A CA 1.698 53.558 52.037 -0.295 0.000 0.620 422 A CB -0.406 18.083 19.000 -0.851 0.000 0.819 422 A HN 0.317 nan 8.150 nan 0.000 0.442 423 D N -0.994 119.439 120.400 0.054 0.000 2.144 423 D HA -0.131 4.508 4.640 -0.002 0.000 0.199 423 D C 1.648 178.059 176.300 0.184 0.000 0.984 423 D CA 1.051 55.147 54.000 0.160 0.000 0.834 423 D CB -0.434 40.458 40.800 0.152 0.000 0.955 423 D HN 0.568 nan 8.370 nan 0.000 0.465 424 F N 1.148 121.103 119.950 0.008 0.000 2.102 424 F HA -0.160 4.366 4.527 -0.002 0.000 0.298 424 F C 2.273 178.099 175.800 0.045 0.000 1.105 424 F CA 0.917 58.928 58.000 0.017 0.000 1.239 424 F CB 0.003 39.000 39.000 -0.005 0.000 0.991 424 F HN -0.162 nan 8.300 nan 0.000 0.474 425 I N 0.643 121.211 120.570 -0.004 0.000 2.163 425 I HA -0.365 3.804 4.170 -0.002 0.000 0.243 425 I C 2.244 178.436 176.117 0.125 0.000 1.085 425 I CA 1.580 62.858 61.300 -0.037 0.000 1.347 425 I CB -0.481 37.544 38.000 0.042 0.000 1.044 425 I HN 0.192 nan 8.210 nan 0.000 0.408 426 I N 0.317 120.952 120.570 0.108 0.000 2.493 426 I HA -0.261 3.908 4.170 -0.002 0.000 0.254 426 I C 2.439 178.656 176.117 0.167 0.000 1.160 426 I CA 1.203 62.595 61.300 0.153 0.000 1.445 426 I CB -0.326 37.712 38.000 0.065 0.000 1.086 426 I HN 0.199 nan 8.210 nan 0.000 0.433 427 K N 1.069 121.516 120.400 0.079 0.000 2.228 427 K HA -0.039 4.279 4.320 -0.002 0.000 0.202 427 K C 1.813 178.404 176.600 -0.015 0.000 1.051 427 K CA 0.998 57.316 56.287 0.051 0.000 0.960 427 K CB 0.244 32.792 32.500 0.079 0.000 0.743 427 K HN 0.474 nan 8.250 nan 0.000 0.458 428 I N -4.782 115.715 120.570 -0.122 0.000 4.471 428 I HA 0.313 4.482 4.170 -0.002 0.000 0.326 428 I C 0.993 177.001 176.117 -0.183 0.000 1.300 428 I CA -0.514 60.676 61.300 -0.183 0.000 1.237 428 I CB 0.180 37.964 38.000 -0.360 0.000 1.195 428 I HN -0.158 nan 8.210 nan 0.000 0.427 429 G N 2.797 111.521 108.800 -0.127 0.000 2.683 429 G HA2 0.275 4.234 3.960 -0.002 0.000 0.260 429 G HA3 0.275 4.234 3.960 -0.002 0.000 0.260 429 G C -1.532 173.031 174.900 -0.562 0.000 1.238 429 G CA -0.468 44.401 45.100 -0.385 0.000 0.934 429 G HN 0.166 nan 8.290 nan 0.000 0.534 430 P HA 0.077 nan 4.420 nan 0.000 0.240 430 P C 0.490 177.406 177.300 -0.639 0.000 1.190 430 P CA 0.313 62.608 63.100 -1.341 0.000 0.781 430 P CB 0.320 31.062 31.700 -1.597 0.000 0.931 431 K N 0.474 120.534 120.400 -0.566 0.000 2.355 431 K HA 0.223 4.541 4.320 -0.002 0.000 0.270 431 K C -0.048 176.278 176.600 -0.456 0.000 1.003 431 K CA 0.108 55.972 56.287 -0.705 0.000 0.957 431 K CB 0.330 32.317 32.500 -0.854 0.000 0.939 431 K HN -0.162 nan 8.250 nan 0.000 0.482 432 T N 1.531 115.849 114.554 -0.393 0.000 2.908 432 T HA 0.416 4.764 4.350 -0.002 0.000 0.290 432 T C 1.053 175.632 174.700 -0.201 0.000 1.034 432 T CA -0.313 61.633 62.100 -0.257 0.000 1.010 432 T CB 1.443 70.189 68.868 -0.203 0.000 1.068 432 T HN 0.674 nan 8.240 nan 0.000 0.481 433 G N 1.569 110.289 108.800 -0.134 0.000 2.422 433 G HA2 0.141 4.100 3.960 -0.002 0.000 0.218 433 G HA3 0.141 4.100 3.960 -0.002 0.000 0.218 433 G C 0.291 175.148 174.900 -0.072 0.000 1.140 433 G CA 0.830 45.877 45.100 -0.087 0.000 0.775 433 G HN 0.847 nan 8.290 nan 0.000 0.545 434 Q N -0.205 119.553 119.800 -0.068 0.000 2.527 434 Q HA 0.451 4.790 4.340 -0.002 0.000 0.280 434 Q C -1.603 174.358 176.000 -0.066 0.000 0.977 434 Q CA -1.075 54.696 55.803 -0.052 0.000 0.837 434 Q CB 1.225 29.956 28.738 -0.012 0.000 1.454 434 Q HN 0.187 nan 8.270 nan 0.000 0.387 435 E N 1.316 121.469 120.200 -0.079 0.000 2.602 435 E HA 0.199 4.548 4.350 -0.002 0.000 0.255 435 E C 0.815 177.348 176.600 -0.113 0.000 1.268 435 E CA -0.505 55.819 56.400 -0.127 0.000 1.007 435 E CB 0.384 29.978 29.700 -0.177 0.000 1.208 435 E HN 0.727 nan 8.360 nan 0.000 0.584 436 R N -0.480 119.878 120.500 -0.237 0.000 2.200 436 R HA -0.084 4.255 4.340 -0.002 0.000 0.234 436 R C 1.025 177.341 176.300 0.025 0.000 1.127 436 R CA 1.436 57.420 56.100 -0.194 0.000 0.989 436 R CB -0.456 29.633 30.300 -0.352 0.000 0.869 436 R HN 0.650 nan 8.270 nan 0.000 0.459 437 W N 1.670 122.993 121.300 0.037 0.000 3.256 437 W HA 0.139 4.798 4.660 -0.002 0.000 0.269 437 W C -0.236 176.283 176.519 0.001 0.000 1.310 437 W CA -0.558 56.798 57.345 0.018 0.000 1.673 437 W CB 0.241 29.720 29.460 0.031 0.000 1.115 437 W HN 0.186 nan 8.180 nan 0.000 0.686 438 E N -0.011 120.310 120.200 0.202 0.000 2.476 438 E HA -0.280 4.069 4.350 -0.002 0.000 0.251 438 E C 0.222 176.848 176.600 0.044 0.000 1.130 438 E CA 0.997 57.464 56.400 0.112 0.000 0.736 438 E CB -1.699 28.083 29.700 0.137 0.000 1.298 438 E HN 0.613 nan 8.360 nan 0.000 0.400 439 E N -0.414 119.821 120.200 0.059 0.000 2.467 439 E HA 0.365 4.713 4.350 -0.002 0.000 0.213 439 E C 0.626 177.228 176.600 0.004 0.000 0.823 439 E CA 0.093 56.510 56.400 0.027 0.000 1.233 439 E CB 1.262 31.002 29.700 0.067 0.000 1.233 439 E HN 0.289 nan 8.360 nan 0.000 0.585 440 I N 0.378 120.942 120.570 -0.011 0.000 2.827 440 I HA 0.506 4.675 4.170 -0.002 0.000 0.298 440 I C -0.879 175.207 176.117 -0.051 0.000 1.235 440 I CA -0.937 60.349 61.300 -0.024 0.000 1.021 440 I CB 1.906 39.890 38.000 -0.026 0.000 1.259 440 I HN 0.034 nan 8.210 nan 0.000 0.427 441 G N 2.884 111.650 108.800 -0.056 0.000 2.511 441 G HA2 0.786 4.745 3.960 -0.002 0.000 0.316 441 G HA3 0.786 4.745 3.960 -0.002 0.000 0.316 441 G C -0.222 174.585 174.900 -0.156 0.000 1.210 441 G CA -0.071 44.963 45.100 -0.110 0.000 0.969 441 G HN 1.306 nan 8.290 nan 0.000 0.492 442 G N -1.515 107.118 108.800 -0.278 0.000 2.250 442 G HA2 0.126 4.085 3.960 -0.002 0.000 0.252 442 G HA3 0.126 4.085 3.960 -0.002 0.000 0.252 442 G C -1.512 173.061 174.900 -0.544 0.000 1.325 442 G CA -0.852 44.004 45.100 -0.406 0.000 1.091 442 G HN 0.732 nan 8.290 nan 0.000 0.476 443 Y N 1.223 121.420 120.300 -0.171 0.000 2.434 443 Y HA 0.651 5.200 4.550 -0.002 0.000 0.341 443 Y C 0.808 176.631 175.900 -0.128 0.000 0.965 443 Y CA 0.078 58.076 58.100 -0.169 0.000 1.205 443 Y CB 1.833 40.192 38.460 -0.168 0.000 1.121 443 Y HN 0.589 nan 8.280 nan 0.000 0.507 444 S N 5.496 121.173 115.700 -0.038 0.000 2.449 444 S HA 0.358 4.827 4.470 -0.002 0.000 0.310 444 S C -1.663 172.908 174.600 -0.049 0.000 1.096 444 S CA -1.988 56.182 58.200 -0.050 0.000 1.095 444 S CB 1.352 64.487 63.200 -0.108 0.000 1.007 444 S HN 0.407 nan 8.310 nan 0.000 0.474 445 P HA -0.087 nan 4.420 nan 0.000 0.216 445 P C 1.350 178.586 177.300 -0.106 0.000 1.150 445 P CA 1.526 64.576 63.100 -0.083 0.000 0.837 445 P CB -0.078 31.543 31.700 -0.132 0.000 0.786 446 A N -0.063 122.694 122.820 -0.105 0.000 1.877 446 A HA -0.133 4.185 4.320 -0.002 0.000 0.216 446 A C 2.387 179.901 177.584 -0.115 0.000 1.186 446 A CA 2.493 54.456 52.037 -0.123 0.000 0.620 446 A CB -1.871 17.025 19.000 -0.173 0.000 0.822 446 A HN 0.193 nan 8.150 nan 0.000 0.443 447 T N 0.045 114.523 114.554 -0.125 0.000 2.737 447 T HA -0.116 4.232 4.350 -0.002 0.000 0.265 447 T C 1.983 176.627 174.700 -0.094 0.000 1.038 447 T CA 1.685 63.714 62.100 -0.119 0.000 1.144 447 T CB -0.311 68.474 68.868 -0.138 0.000 0.866 447 T HN 0.405 nan 8.240 nan 0.000 0.434 448 M N 0.983 120.528 119.600 -0.090 0.000 2.108 448 M HA -0.092 4.387 4.480 -0.002 0.000 0.261 448 M C 2.835 179.115 176.300 -0.034 0.000 1.066 448 M CA 1.578 56.842 55.300 -0.061 0.000 1.107 448 M CB -0.536 32.029 32.600 -0.058 0.000 1.356 448 M HN 0.327 nan 8.290 nan 0.000 0.406 449 A N 0.485 123.266 122.820 -0.065 0.000 1.908 449 A HA -0.135 4.184 4.320 -0.002 0.000 0.218 449 A C 2.359 179.918 177.584 -0.041 0.000 1.181 449 A CA 2.137 54.135 52.037 -0.065 0.000 0.627 449 A CB -0.975 17.981 19.000 -0.073 0.000 0.818 449 A HN 0.526 nan 8.150 nan 0.000 0.445 450 A N -0.429 122.362 122.820 -0.049 0.000 1.930 450 A HA -0.150 4.169 4.320 -0.002 0.000 0.217 450 A C 1.916 179.480 177.584 -0.033 0.000 1.175 450 A CA 1.617 53.617 52.037 -0.062 0.000 0.627 450 A CB -0.485 18.454 19.000 -0.102 0.000 0.815 450 A HN 0.657 nan 8.150 nan 0.000 0.443 451 E N -0.436 119.773 120.200 0.014 0.000 2.072 451 E HA -0.107 4.242 4.350 -0.002 0.000 0.191 451 E C 1.961 178.634 176.600 0.122 0.000 0.985 451 E CA 1.235 57.703 56.400 0.113 0.000 0.801 451 E CB -0.225 29.620 29.700 0.243 0.000 0.750 451 E HN 0.392 nan 8.360 nan 0.000 0.452 452 V N 1.289 121.260 119.914 0.095 0.000 2.358 452 V HA -0.239 3.880 4.120 -0.002 0.000 0.246 452 V C 2.272 178.385 176.094 0.032 0.000 1.047 452 V CA 1.797 64.115 62.300 0.030 0.000 1.035 452 V CB -0.576 31.179 31.823 -0.113 0.000 0.658 452 V HN 0.309 nan 8.190 nan 0.000 0.452 453 A N 0.407 123.239 122.820 0.020 0.000 1.898 453 A HA -0.029 4.290 4.320 -0.002 0.000 0.216 453 A C 2.397 179.981 177.584 0.001 0.000 1.181 453 A CA 1.795 53.853 52.037 0.036 0.000 0.620 453 A CB -1.133 17.884 19.000 0.028 0.000 0.819 453 A HN 0.506 nan 8.150 nan 0.000 0.442 454 G N -0.014 108.773 108.800 -0.022 0.000 2.433 454 G HA2 -0.178 3.780 3.960 -0.002 0.000 0.216 454 G HA3 -0.178 3.780 3.960 -0.002 0.000 0.216 454 G C 1.550 176.413 174.900 -0.061 0.000 1.186 454 G CA 1.038 46.110 45.100 -0.046 0.000 0.779 454 G HN 0.412 nan 8.290 nan 0.000 0.543 455 L N 0.489 121.668 121.223 -0.074 0.000 2.083 455 L HA -0.103 4.236 4.340 -0.002 0.000 0.209 455 L C 3.194 180.046 176.870 -0.030 0.000 1.083 455 L CA 1.516 56.280 54.840 -0.127 0.000 0.752 455 L CB -0.747 41.214 42.059 -0.163 0.000 0.899 455 L HN 0.206 nan 8.230 nan 0.000 0.433 456 T N -1.177 113.386 114.554 0.016 0.000 2.708 456 T HA -0.199 4.150 4.350 -0.002 0.000 0.266 456 T C 2.015 176.710 174.700 -0.008 0.000 1.037 456 T CA 1.564 63.685 62.100 0.036 0.000 1.146 456 T CB -0.375 68.537 68.868 0.074 0.000 0.865 456 T HN 0.399 nan 8.240 nan 0.000 0.435 457 C N 1.593 120.858 119.300 -0.058 0.000 2.425 457 C HA 0.103 4.561 4.460 -0.002 0.000 0.277 457 C C 3.208 178.267 174.990 0.114 0.000 1.280 457 C CA 0.278 59.252 59.018 -0.074 0.000 1.744 457 C CB -1.433 26.289 27.740 -0.030 0.000 1.989 457 C HN 0.657 nan 8.230 nan 0.000 0.491 458 A N 0.558 123.423 122.820 0.076 0.000 1.902 458 A HA 0.061 4.380 4.320 -0.002 0.000 0.217 458 A C 2.371 180.147 177.584 0.319 0.000 1.181 458 A CA 2.029 54.143 52.037 0.128 0.000 0.623 458 A CB -0.863 17.995 19.000 -0.238 0.000 0.818 458 A HN 0.561 nan 8.150 nan 0.000 0.443 459 A N -1.460 121.528 122.820 0.281 0.000 1.877 459 A HA -0.144 4.175 4.320 -0.002 0.000 0.216 459 A C 2.152 179.801 177.584 0.108 0.000 1.186 459 A CA 1.687 53.871 52.037 0.246 0.000 0.620 459 A CB -0.884 18.215 19.000 0.164 0.000 0.822 459 A HN 0.721 nan 8.150 nan 0.000 0.443 460 Y N 0.448 120.744 120.300 -0.007 0.000 2.165 460 Y HA -0.192 4.357 4.550 -0.002 0.000 0.286 460 Y C 1.994 177.837 175.900 -0.095 0.000 1.155 460 Y CA 2.001 60.069 58.100 -0.053 0.000 1.164 460 Y CB -0.185 38.242 38.460 -0.055 0.000 0.978 460 Y HN 0.277 nan 8.280 nan 0.000 0.513 461 I N -0.269 120.399 120.570 0.163 0.000 2.546 461 I HA -0.239 3.930 4.170 -0.002 0.000 0.255 461 I C 2.551 178.460 176.117 -0.348 0.000 1.163 461 I CA 0.926 62.251 61.300 0.042 0.000 1.457 461 I CB -0.574 37.647 38.000 0.367 0.000 1.092 461 I HN 0.316 nan 8.210 nan 0.000 0.434 462 A N 0.547 123.177 122.820 -0.317 0.000 1.929 462 A HA -0.170 4.148 4.320 -0.002 0.000 0.216 462 A C 2.212 179.401 177.584 -0.658 0.000 1.176 462 A CA 1.305 52.932 52.037 -0.684 0.000 0.628 462 A CB -0.414 18.492 19.000 -0.156 0.000 0.816 462 A HN 0.389 nan 8.150 nan 0.000 0.444 463 E N -0.358 119.521 120.200 -0.535 0.000 2.077 463 E HA -0.191 4.158 4.350 -0.002 0.000 0.193 463 E C 2.145 178.360 176.600 -0.641 0.000 0.989 463 E CA 1.097 57.114 56.400 -0.639 0.000 0.800 463 E CB -0.151 29.283 29.700 -0.443 0.000 0.746 463 E HN 0.533 nan 8.360 nan 0.000 0.452 464 Q N 0.389 119.801 119.800 -0.648 0.000 2.234 464 Q HA -0.092 4.247 4.340 -0.002 0.000 0.206 464 Q C 1.245 176.982 176.000 -0.438 0.000 0.980 464 Q CA 0.858 56.299 55.803 -0.604 0.000 0.869 464 Q CB -0.163 28.031 28.738 -0.906 0.000 0.912 464 Q HN 0.304 nan 8.270 nan 0.000 0.436 465 N N 0.557 118.949 118.700 -0.513 0.000 2.268 465 N HA 0.029 4.768 4.740 -0.002 0.000 0.204 465 N C -0.483 174.781 175.510 -0.410 0.000 1.124 465 N CA -0.014 52.789 53.050 -0.412 0.000 0.838 465 N CB 0.455 38.614 38.487 -0.547 0.000 0.994 465 N HN 0.171 nan 8.380 nan 0.000 0.489 466 K N 0.697 120.760 120.400 -0.561 0.000 3.069 466 K HA -0.159 4.160 4.320 -0.002 0.000 0.267 466 K C -0.589 175.587 176.600 -0.706 0.000 1.082 466 K CA 0.475 56.320 56.287 -0.738 0.000 0.782 466 K CB -1.000 31.383 32.500 -0.196 0.000 1.230 466 K HN 0.140 nan 8.250 nan 0.000 0.488 467 D N 0.136 120.130 120.400 -0.676 0.000 2.772 467 D HA 0.116 4.755 4.640 -0.002 0.000 0.273 467 D C 0.561 176.640 176.300 -0.368 0.000 1.233 467 D CA -0.437 53.349 54.000 -0.357 0.000 0.984 467 D CB -0.024 40.649 40.800 -0.212 0.000 1.000 467 D HN 0.183 nan 8.370 nan 0.000 0.514 468 Y N 0.505 120.731 120.300 -0.123 0.000 2.333 468 Y HA -0.107 4.442 4.550 -0.002 0.000 0.290 468 Y C 2.236 178.065 175.900 -0.119 0.000 1.144 468 Y CA 0.791 58.820 58.100 -0.118 0.000 1.228 468 Y CB -0.020 38.381 38.460 -0.098 0.000 0.985 468 Y HN 0.282 nan 8.280 nan 0.000 0.542 469 E N -0.175 120.037 120.200 0.020 0.000 2.047 469 E HA -0.154 4.195 4.350 -0.002 0.000 0.191 469 E C 2.303 178.808 176.600 -0.158 0.000 0.987 469 E CA 1.431 57.805 56.400 -0.044 0.000 0.799 469 E CB -0.172 29.508 29.700 -0.033 0.000 0.752 469 E HN 0.350 nan 8.360 nan 0.000 0.449 470 S N 0.690 116.248 115.700 -0.237 0.000 2.383 470 S HA -0.128 4.341 4.470 -0.002 0.000 0.227 470 S C 2.072 176.264 174.600 -0.681 0.000 1.026 470 S CA 0.872 58.738 58.200 -0.556 0.000 0.981 470 S CB -0.129 62.809 63.200 -0.437 0.000 0.818 470 S HN 0.356 nan 8.310 nan 0.000 0.472 471 A N 1.494 124.132 122.820 -0.304 0.000 1.883 471 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 471 A C 2.122 179.659 177.584 -0.079 0.000 1.186 471 A CA 1.886 53.847 52.037 -0.126 0.000 0.624 471 A CB -0.828 18.104 19.000 -0.113 0.000 0.822 471 A HN 0.574 nan 8.150 nan 0.000 0.444 472 Q N -0.233 119.517 119.800 -0.084 0.000 2.050 472 Q HA -0.248 4.090 4.340 -0.002 0.000 0.202 472 Q C 2.180 178.141 176.000 -0.065 0.000 0.980 472 Q CA 2.123 57.897 55.803 -0.050 0.000 0.840 472 Q CB -0.205 28.511 28.738 -0.036 0.000 0.898 472 Q HN 0.689 nan 8.270 nan 0.000 0.424 473 K N -0.504 119.816 120.400 -0.133 0.000 2.057 473 K HA -0.189 4.129 4.320 -0.002 0.000 0.207 473 K C 1.867 178.460 176.600 -0.012 0.000 1.049 473 K CA 1.569 57.786 56.287 -0.115 0.000 0.931 473 K CB -0.304 32.077 32.500 -0.199 0.000 0.714 473 K HN 0.417 nan 8.250 nan 0.000 0.440 474 Y N 0.213 120.477 120.300 -0.060 0.000 2.200 474 Y HA -0.184 4.365 4.550 -0.002 0.000 0.290 474 Y C 2.762 178.598 175.900 -0.108 0.000 1.137 474 Y CA 0.214 58.262 58.100 -0.086 0.000 1.163 474 Y CB 0.110 38.554 38.460 -0.026 0.000 0.988 474 Y HN 0.183 nan 8.280 nan 0.000 0.518 475 Q N 0.594 120.453 119.800 0.099 0.000 2.123 475 Q HA -0.153 4.186 4.340 -0.002 0.000 0.199 475 Q C 1.867 177.866 176.000 -0.000 0.000 0.966 475 Q CA 1.173 57.002 55.803 0.043 0.000 0.845 475 Q CB -0.143 28.615 28.738 0.034 0.000 0.907 475 Q HN 0.635 nan 8.270 nan 0.000 0.439 476 E N 0.342 120.527 120.200 -0.025 0.000 2.051 476 E HA -0.206 4.143 4.350 -0.002 0.000 0.192 476 E C 1.941 178.473 176.600 -0.112 0.000 0.991 476 E CA 1.062 57.436 56.400 -0.045 0.000 0.799 476 E CB 0.038 29.712 29.700 -0.042 0.000 0.748 476 E HN 0.001 nan 8.360 nan 0.000 0.449 477 K N 1.170 121.446 120.400 -0.206 0.000 2.057 477 K HA -0.111 4.207 4.320 -0.002 0.000 0.207 477 K C 1.857 178.087 176.600 -0.617 0.000 1.049 477 K CA 1.431 57.417 56.287 -0.501 0.000 0.931 477 K CB -0.423 31.703 32.500 -0.624 0.000 0.714 477 K HN 0.101 nan 8.250 nan 0.000 0.440 478 A N 0.960 123.578 122.820 -0.337 0.000 1.902 478 A HA -0.188 4.131 4.320 -0.002 0.000 0.217 478 A C 1.775 179.350 177.584 -0.015 0.000 1.181 478 A CA 2.131 54.077 52.037 -0.153 0.000 0.623 478 A CB -0.793 18.215 19.000 0.013 0.000 0.818 478 A HN 0.421 nan 8.150 nan 0.000 0.443 479 D N -0.438 119.994 120.400 0.053 0.000 2.097 479 D HA -0.152 4.487 4.640 -0.002 0.000 0.195 479 D C 1.840 178.181 176.300 0.068 0.000 0.989 479 D CA 1.552 55.631 54.000 0.133 0.000 0.827 479 D CB -0.511 40.357 40.800 0.113 0.000 0.966 479 D HN 0.560 nan 8.370 nan 0.000 0.456 480 N N -0.077 118.634 118.700 0.019 0.000 2.025 480 N HA -0.180 4.559 4.740 -0.002 0.000 0.194 480 N C 1.611 177.244 175.510 0.204 0.000 1.044 480 N CA 1.398 54.495 53.050 0.078 0.000 0.851 480 N CB -0.323 38.195 38.487 0.050 0.000 1.036 480 N HN 0.114 nan 8.380 nan 0.000 0.422 481 W N 1.304 122.593 121.300 -0.018 0.000 2.342 481 W HA -0.054 4.605 4.660 -0.002 0.000 0.297 481 W C 2.477 178.949 176.519 -0.079 0.000 1.213 481 W CA 0.592 57.914 57.345 -0.039 0.000 1.251 481 W CB -1.346 28.092 29.460 -0.036 0.000 1.136 481 W HN 0.336 nan 8.180 nan 0.000 0.526 482 Q N 0.947 120.806 119.800 0.097 0.000 2.084 482 Q HA -0.180 4.159 4.340 -0.002 0.000 0.202 482 Q C 1.862 177.842 176.000 -0.033 0.000 0.978 482 Q CA 1.393 57.136 55.803 -0.101 0.000 0.844 482 Q CB -0.243 28.258 28.738 -0.394 0.000 0.898 482 Q HN 0.099 nan 8.270 nan 0.000 0.426 483 K N 0.352 120.768 120.400 0.025 0.000 2.365 483 K HA 0.008 4.327 4.320 -0.002 0.000 0.199 483 K C 1.984 178.599 176.600 0.026 0.000 1.045 483 K CA 0.458 56.764 56.287 0.031 0.000 0.962 483 K CB 0.038 32.565 32.500 0.046 0.000 0.759 483 K HN 0.305 nan 8.250 nan 0.000 0.469 484 L N -0.022 121.225 121.223 0.039 0.000 2.554 484 L HA 0.127 4.466 4.340 -0.002 0.000 0.225 484 L C 1.964 178.825 176.870 -0.016 0.000 1.104 484 L CA -0.062 54.780 54.840 0.003 0.000 0.866 484 L CB -0.186 41.873 42.059 -0.000 0.000 1.047 484 L HN -0.008 nan 8.230 nan 0.000 0.468 485 I N 0.558 121.135 120.570 0.011 0.000 2.118 485 I HA -0.350 3.818 4.170 -0.002 0.000 0.241 485 I C 2.071 178.254 176.117 0.110 0.000 1.070 485 I CA 1.530 62.851 61.300 0.034 0.000 1.327 485 I CB -0.256 37.756 38.000 0.019 0.000 1.034 485 I HN 0.307 nan 8.210 nan 0.000 0.405 486 D N 0.667 121.136 120.400 0.114 0.000 2.097 486 D HA -0.160 4.479 4.640 -0.002 0.000 0.195 486 D C 1.920 178.266 176.300 0.078 0.000 0.989 486 D CA 1.286 55.359 54.000 0.121 0.000 0.827 486 D CB -0.539 40.243 40.800 -0.030 0.000 0.966 486 D HN 0.258 nan 8.370 nan 0.000 0.456 487 N N -0.128 118.577 118.700 0.010 0.000 2.223 487 N HA -0.044 4.694 4.740 -0.002 0.000 0.185 487 N C 1.798 177.263 175.510 -0.075 0.000 1.016 487 N CA 0.495 53.527 53.050 -0.031 0.000 0.863 487 N CB -0.128 38.327 38.487 -0.054 0.000 0.983 487 N HN 0.204 nan 8.380 nan 0.000 0.429 488 L N -1.032 120.130 121.223 -0.103 0.000 2.249 488 L HA 0.063 4.402 4.340 -0.002 0.000 0.207 488 L C 1.652 178.470 176.870 -0.087 0.000 1.090 488 L CA 1.197 55.911 54.840 -0.211 0.000 0.802 488 L CB -0.095 41.741 42.059 -0.372 0.000 0.947 488 L HN 0.300 nan 8.230 nan 0.000 0.453 489 T N -5.336 109.248 114.554 0.050 0.000 3.004 489 T HA 0.047 4.396 4.350 -0.002 0.000 0.266 489 T C 0.056 174.875 174.700 0.199 0.000 0.986 489 T CA -0.204 61.976 62.100 0.132 0.000 0.902 489 T CB -0.116 68.865 68.868 0.188 0.000 1.118 489 T HN 0.047 nan 8.240 nan 0.000 0.522 490 Y N 2.552 122.851 120.300 -0.001 0.000 2.404 490 Y HA 0.559 5.108 4.550 -0.002 0.000 0.344 490 Y C 0.278 176.032 175.900 -0.243 0.000 0.970 490 Y CA -0.635 57.339 58.100 -0.210 0.000 1.180 490 Y CB 1.198 39.432 38.460 -0.378 0.000 1.138 490 Y HN 0.073 nan 8.280 nan 0.000 0.510 491 T N 4.073 118.213 114.554 -0.690 0.000 2.922 491 T HA 0.255 4.603 4.350 -0.002 0.000 0.285 491 T C 0.281 174.513 174.700 -0.780 0.000 1.005 491 T CA -0.287 61.445 62.100 -0.614 0.000 1.061 491 T CB 0.801 69.303 68.868 -0.609 0.000 1.007 491 T HN 0.900 nan 8.240 nan 0.000 0.502 492 E N 2.232 122.172 120.200 -0.432 0.000 2.759 492 E HA 0.205 4.554 4.350 -0.002 0.000 0.220 492 E C 0.425 176.893 176.600 -0.220 0.000 0.974 492 E CA -0.087 56.129 56.400 -0.306 0.000 1.148 492 E CB 0.393 30.016 29.700 -0.129 0.000 1.059 492 E HN 0.632 nan 8.360 nan 0.000 0.493 493 N N 0.438 118.990 118.700 -0.247 0.000 2.377 493 N HA 0.109 4.848 4.740 -0.002 0.000 0.259 493 N C -0.053 175.368 175.510 -0.147 0.000 1.332 493 N CA -0.214 52.746 53.050 -0.150 0.000 0.877 493 N CB 0.787 39.211 38.487 -0.106 0.000 1.299 493 N HN 0.060 nan 8.380 nan 0.000 0.501 494 G N 0.991 109.644 108.800 -0.244 0.000 2.503 494 G HA2 0.196 4.155 3.960 -0.002 0.000 0.257 494 G HA3 0.196 4.155 3.960 -0.002 0.000 0.257 494 G C -1.371 173.575 174.900 0.077 0.000 1.214 494 G CA -0.795 44.232 45.100 -0.122 0.000 0.839 494 G HN 0.116 nan 8.290 nan 0.000 0.559 495 P HA 0.041 nan 4.420 nan 0.000 0.231 495 P C 0.453 177.821 177.300 0.114 0.000 1.168 495 P CA 0.339 63.503 63.100 0.106 0.000 0.779 495 P CB 0.404 32.160 31.700 0.093 0.000 0.844 496 L N -0.414 120.912 121.223 0.172 0.000 2.350 496 L HA 0.415 4.754 4.340 -0.002 0.000 0.275 496 L C 1.747 178.657 176.870 0.067 0.000 1.099 496 L CA 0.037 54.895 54.840 0.031 0.000 0.808 496 L CB 0.150 42.075 42.059 -0.222 0.000 1.149 496 L HN 0.114 nan 8.230 nan 0.000 0.442 497 G N 2.818 111.622 108.800 0.006 0.000 2.684 497 G HA2 -0.438 3.521 3.960 -0.002 0.000 0.332 497 G HA3 -0.438 3.521 3.960 -0.002 0.000 0.332 497 G C 0.696 175.632 174.900 0.061 0.000 1.306 497 G CA 0.730 45.845 45.100 0.024 0.000 1.002 497 G HN 0.981 nan 8.290 nan 0.000 0.545 498 N N 2.625 121.368 118.700 0.072 0.000 2.434 498 N HA 0.288 5.026 4.740 -0.002 0.000 0.196 498 N C 1.703 177.246 175.510 0.055 0.000 1.183 498 N CA 1.464 54.548 53.050 0.057 0.000 0.849 498 N CB -0.302 38.214 38.487 0.048 0.000 0.992 498 N HN 2.316 nan 8.380 nan 0.000 0.460 499 G N -0.203 108.672 108.800 0.125 0.000 2.166 499 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.260 499 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.260 499 G C -0.438 174.320 174.900 -0.238 0.000 0.986 499 G CA 0.457 45.583 45.100 0.043 0.000 0.683 499 G HN 0.571 nan 8.290 nan 0.000 0.527 500 Q N -0.704 119.012 119.800 -0.139 0.000 2.357 500 Q HA 0.675 5.014 4.340 -0.002 0.000 0.266 500 Q C -0.431 175.361 176.000 -0.347 0.000 1.021 500 Q CA -0.873 54.688 55.803 -0.402 0.000 0.784 500 Q CB 1.426 30.095 28.738 -0.116 0.000 1.243 500 Q HN 0.834 nan 8.270 nan 0.000 0.465 501 Y N -1.313 118.482 120.300 -0.842 0.000 2.717 501 Y HA 0.331 4.880 4.550 -0.002 0.000 0.345 501 Y C -1.751 173.750 175.900 -0.664 0.000 1.187 501 Y CA -1.594 56.134 58.100 -0.620 0.000 1.128 501 Y CB 0.347 38.609 38.460 -0.330 0.000 1.360 501 Y HN 0.365 nan 8.280 nan 0.000 0.467 502 Y N 3.568 123.831 120.300 -0.061 0.000 2.425 502 Y HA 0.445 4.994 4.550 -0.002 0.000 0.331 502 Y C 1.095 177.013 175.900 0.029 0.000 1.157 502 Y CA -0.317 57.781 58.100 -0.003 0.000 1.372 502 Y CB 0.703 39.184 38.460 0.035 0.000 1.253 502 Y HN 0.622 nan 8.280 nan 0.000 0.536 503 I N 0.392 121.070 120.570 0.181 0.000 2.918 503 I HA 0.457 4.626 4.170 -0.002 0.000 0.316 503 I C 1.367 177.566 176.117 0.137 0.000 1.001 503 I CA -1.029 60.372 61.300 0.168 0.000 1.142 503 I CB 1.413 39.468 38.000 0.092 0.000 1.356 503 I HN 0.635 nan 8.210 nan 0.000 0.524 504 R N 2.085 122.652 120.500 0.111 0.000 2.083 504 R HA 0.098 4.437 4.340 -0.002 0.000 0.237 504 R C 0.158 176.475 176.300 0.028 0.000 1.137 504 R CA 1.743 57.887 56.100 0.073 0.000 0.951 504 R CB 0.156 30.475 30.300 0.032 0.000 0.851 504 R HN 0.809 nan 8.270 nan 0.000 0.434 505 I N -0.950 119.635 120.570 0.025 0.000 2.753 505 I HA 0.286 4.455 4.170 -0.002 0.000 0.291 505 I C -1.864 174.259 176.117 0.010 0.000 1.425 505 I CA -0.722 60.580 61.300 0.004 0.000 1.039 505 I CB 2.022 39.999 38.000 -0.039 0.000 1.349 505 I HN 0.142 nan 8.210 nan 0.000 0.430 506 A N 4.340 127.169 122.820 0.014 0.000 2.274 506 A HA 0.596 4.915 4.320 -0.002 0.000 0.309 506 A C 0.941 178.451 177.584 -0.124 0.000 1.226 506 A CA 0.190 52.212 52.037 -0.025 0.000 0.853 506 A CB 1.024 20.030 19.000 0.010 0.000 1.146 506 A HN 1.024 nan 8.150 nan 0.000 0.518 507 G N 1.578 110.134 108.800 -0.407 0.000 2.484 507 G HA2 0.300 4.259 3.960 -0.002 0.000 0.218 507 G HA3 0.300 4.259 3.960 -0.002 0.000 0.218 507 G C 0.372 174.733 174.900 -0.898 0.000 1.130 507 G CA 1.519 46.061 45.100 -0.930 0.000 0.784 507 G HN 0.970 nan 8.290 nan 0.000 0.543 508 L N -3.601 117.272 121.223 -0.584 0.000 2.389 508 L HA 0.597 4.935 4.340 -0.002 0.000 0.249 508 L C 0.818 177.615 176.870 -0.122 0.000 1.083 508 L CA -0.714 53.982 54.840 -0.241 0.000 0.876 508 L CB 1.207 43.098 42.059 -0.279 0.000 1.489 508 L HN -0.125 nan 8.230 nan 0.000 0.412 509 S N -1.529 114.080 115.700 -0.152 0.000 3.054 509 S HA 0.209 4.677 4.470 -0.002 0.000 0.243 509 S C -0.030 174.425 174.600 -0.242 0.000 1.013 509 S CA 0.389 58.377 58.200 -0.354 0.000 1.119 509 S CB -1.330 61.697 63.200 -0.288 0.000 0.838 509 S HN 0.752 nan 8.310 nan 0.000 0.505 510 D N 1.056 121.347 120.400 -0.181 0.000 2.365 510 D HA 0.277 4.915 4.640 -0.002 0.000 0.235 510 D C -2.239 173.998 176.300 -0.106 0.000 1.368 510 D CA -1.775 52.150 54.000 -0.124 0.000 1.001 510 D CB 1.953 42.705 40.800 -0.080 0.000 1.364 510 D HN -0.009 nan 8.370 nan 0.000 0.577 511 P HA 0.025 nan 4.420 nan 0.000 0.237 511 P C 0.299 177.536 177.300 -0.105 0.000 1.178 511 P CA 0.481 63.523 63.100 -0.097 0.000 0.766 511 P CB 0.741 32.383 31.700 -0.097 0.000 0.876 512 D N -0.297 120.049 120.400 -0.090 0.000 2.346 512 D HA 0.122 4.761 4.640 -0.002 0.000 0.206 512 D C 1.129 177.403 176.300 -0.043 0.000 1.001 512 D CA 0.184 54.134 54.000 -0.085 0.000 0.871 512 D CB 0.330 41.082 40.800 -0.079 0.000 0.943 512 D HN 0.129 nan 8.370 nan 0.000 0.518 513 A N 0.893 123.699 122.820 -0.023 0.000 2.313 513 A HA 0.221 4.540 4.320 -0.002 0.000 0.261 513 A C -0.085 177.533 177.584 0.056 0.000 1.090 513 A CA -0.319 51.727 52.037 0.016 0.000 0.807 513 A CB 0.508 19.523 19.000 0.026 0.000 1.055 513 A HN -0.160 nan 8.150 nan 0.000 0.492 514 D N -0.283 120.162 120.400 0.075 0.000 2.304 514 D HA 0.551 5.190 4.640 -0.002 0.000 0.250 514 D C -1.129 175.288 176.300 0.195 0.000 1.107 514 D CA 0.877 54.935 54.000 0.097 0.000 0.885 514 D CB 0.945 41.775 40.800 0.050 0.000 1.192 514 D HN 0.337 nan 8.370 nan 0.000 0.436 515 F N 2.188 122.140 119.950 0.003 0.000 2.670 515 F HA 0.204 4.730 4.527 -0.002 0.000 0.332 515 F C -1.471 174.336 175.800 0.011 0.000 1.179 515 F CA -0.842 57.161 58.000 0.005 0.000 1.076 515 F CB 0.918 39.923 39.000 0.009 0.000 1.322 515 F HN 0.037 nan 8.300 nan 0.000 0.515 516 M N 7.324 126.704 119.600 -0.367 0.000 2.211 516 M HA 0.501 4.980 4.480 -0.002 0.000 0.356 516 M C -0.292 175.892 176.300 -0.194 0.000 1.216 516 M CA -0.357 54.815 55.300 -0.214 0.000 1.134 516 M CB 0.900 33.359 32.600 -0.235 0.000 1.564 516 M HN 0.601 nan 8.290 nan 0.000 0.463 517 I N 0.555 121.133 120.570 0.014 0.000 2.689 517 I HA 0.554 4.723 4.170 -0.002 0.000 0.299 517 I C -1.018 175.131 176.117 0.053 0.000 1.059 517 I CA -1.035 60.313 61.300 0.080 0.000 1.055 517 I CB 2.219 40.322 38.000 0.172 0.000 1.243 517 I HN 0.485 nan 8.210 nan 0.000 0.425 518 N N 5.525 124.250 118.700 0.042 0.000 2.425 518 N HA 0.479 5.218 4.740 -0.002 0.000 0.268 518 N C -0.750 174.809 175.510 0.081 0.000 0.991 518 N CA -0.536 52.538 53.050 0.040 0.000 0.931 518 N CB 1.445 39.939 38.487 0.012 0.000 1.130 518 N HN 0.434 nan 8.380 nan 0.000 0.493 519 I N 1.860 122.514 120.570 0.139 0.000 2.395 519 I HA 0.293 4.462 4.170 -0.002 0.000 0.289 519 I C 1.180 177.395 176.117 0.162 0.000 1.023 519 I CA -0.771 60.635 61.300 0.175 0.000 1.350 519 I CB 0.382 38.567 38.000 0.307 0.000 1.409 519 I HN 0.546 nan 8.210 nan 0.000 0.507 520 A N 5.874 128.789 122.820 0.158 0.000 2.325 520 A HA 0.162 4.480 4.320 -0.002 0.000 0.260 520 A C 0.934 178.633 177.584 0.191 0.000 1.133 520 A CA -0.168 51.957 52.037 0.147 0.000 0.801 520 A CB -0.106 18.969 19.000 0.124 0.000 1.092 520 A HN 0.879 nan 8.150 nan 0.000 0.504 521 N N -0.938 117.875 118.700 0.188 0.000 2.710 521 N HA -0.230 4.509 4.740 -0.002 0.000 0.249 521 N C 0.847 176.466 175.510 0.181 0.000 1.059 521 N CA 1.878 55.069 53.050 0.235 0.000 0.720 521 N CB -1.642 37.057 38.487 0.354 0.000 0.983 521 N HN 2.084 nan 8.380 nan 0.000 0.544 522 G N -1.547 107.333 108.800 0.133 0.000 2.168 522 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.257 522 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.257 522 G C 1.165 176.146 174.900 0.134 0.000 0.997 522 G CA 0.982 46.145 45.100 0.106 0.000 0.708 522 G HN 0.831 nan 8.290 nan 0.000 0.520 523 G N -0.424 108.487 108.800 0.185 0.000 2.498 523 G HA2 0.458 4.416 3.960 -0.002 0.000 0.219 523 G HA3 0.458 4.416 3.960 -0.002 0.000 0.219 523 G C 1.535 176.620 174.900 0.307 0.000 1.119 523 G CA 1.605 46.857 45.100 0.254 0.000 0.766 523 G HN 2.221 nan 8.290 nan 0.000 0.552 524 G N -2.030 106.875 108.800 0.175 0.000 2.526 524 G HA2 0.078 4.037 3.960 -0.002 0.000 0.250 524 G HA3 0.078 4.037 3.960 -0.002 0.000 0.250 524 G C -0.888 173.943 174.900 -0.115 0.000 1.289 524 G CA -0.417 44.686 45.100 0.005 0.000 0.947 524 G HN 0.874 nan 8.290 nan 0.000 0.517 525 V N 0.730 120.325 119.914 -0.531 0.000 2.540 525 V HA 0.827 4.946 4.120 -0.002 0.000 0.302 525 V C -0.670 174.891 176.094 -0.889 0.000 1.035 525 V CA -0.557 61.475 62.300 -0.447 0.000 0.873 525 V CB 1.302 32.959 31.823 -0.277 0.000 0.992 525 V HN 0.878 nan 8.190 nan 0.000 0.428 526 Y N 0.810 121.072 120.300 -0.064 0.000 2.655 526 Y HA 0.477 5.026 4.550 -0.002 0.000 0.336 526 Y C -0.218 175.680 175.900 -0.003 0.000 1.154 526 Y CA -1.330 56.741 58.100 -0.048 0.000 1.055 526 Y CB 1.241 39.672 38.460 -0.049 0.000 1.295 526 Y HN 0.691 nan 8.280 nan 0.000 0.465 527 D N 0.495 121.001 120.400 0.177 0.000 2.302 527 D HA 0.124 4.763 4.640 -0.002 0.000 0.248 527 D C 0.967 177.372 176.300 0.175 0.000 1.094 527 D CA -0.154 53.928 54.000 0.137 0.000 0.897 527 D CB 1.128 41.990 40.800 0.104 0.000 1.200 527 D HN 0.631 nan 8.370 nan 0.000 0.429 528 Q N 2.562 122.475 119.800 0.188 0.000 2.152 528 Q HA -0.276 4.062 4.340 -0.002 0.000 0.206 528 Q C 1.155 177.232 176.000 0.128 0.000 0.985 528 Q CA 1.270 57.173 55.803 0.167 0.000 0.863 528 Q CB -0.201 28.640 28.738 0.172 0.000 0.904 528 Q HN 0.451 nan 8.270 nan 0.000 0.422 529 K N 0.567 121.032 120.400 0.109 0.000 2.442 529 K HA -0.074 4.245 4.320 -0.002 0.000 0.198 529 K C 1.514 178.229 176.600 0.192 0.000 1.042 529 K CA 1.073 57.418 56.287 0.096 0.000 0.958 529 K CB 0.141 32.654 32.500 0.023 0.000 0.766 529 K HN 0.425 nan 8.250 nan 0.000 0.474 530 E N 0.330 120.632 120.200 0.170 0.000 2.371 530 E HA 0.002 4.351 4.350 -0.002 0.000 0.194 530 E C 0.100 176.772 176.600 0.121 0.000 1.012 530 E CA 0.315 56.811 56.400 0.161 0.000 0.860 530 E CB 0.375 30.183 29.700 0.181 0.000 0.811 530 E HN 0.123 nan 8.360 nan 0.000 0.502 531 I N 2.433 123.081 120.570 0.129 0.000 2.339 531 I HA 0.170 4.338 4.170 -0.002 0.000 0.290 531 I C 0.255 176.436 176.117 0.107 0.000 0.994 531 I CA -0.816 60.543 61.300 0.098 0.000 1.191 531 I CB 0.960 39.007 38.000 0.079 0.000 1.343 531 I HN -0.247 nan 8.210 nan 0.000 0.458 532 V N 2.512 122.471 119.914 0.075 0.000 2.769 532 V HA 0.750 4.869 4.120 -0.002 0.000 0.312 532 V C -0.702 175.490 176.094 0.163 0.000 1.058 532 V CA -0.529 61.811 62.300 0.067 0.000 0.952 532 V CB 2.793 34.564 31.823 -0.086 0.000 1.019 532 V HN 0.744 nan 8.190 nan 0.000 0.445 533 D N 2.629 123.151 120.400 0.203 0.000 2.970 533 D HA 0.439 5.077 4.640 -0.002 0.000 0.230 533 D C -2.290 174.227 176.300 0.362 0.000 1.276 533 D CA -1.532 52.651 54.000 0.304 0.000 0.910 533 D CB 3.152 44.128 40.800 0.293 0.000 1.590 533 D HN 0.397 nan 8.370 nan 0.000 0.551 534 P HA -0.056 nan 4.420 nan 0.000 0.231 534 P C 0.950 178.251 177.300 0.001 0.000 1.158 534 P CA 0.384 63.592 63.100 0.180 0.000 0.763 534 P CB 0.373 32.043 31.700 -0.049 0.000 0.805 535 S N 0.133 115.886 115.700 0.090 0.000 2.469 535 S HA -0.119 4.350 4.470 -0.002 0.000 0.238 535 S C 1.414 175.952 174.600 -0.102 0.000 0.998 535 S CA 0.871 59.027 58.200 -0.073 0.000 0.957 535 S CB -1.231 61.851 63.200 -0.197 0.000 0.764 535 S HN 0.364 nan 8.310 nan 0.000 0.514 536 F N 1.511 121.399 119.950 -0.103 0.000 2.269 536 F HA 0.020 4.546 4.527 -0.002 0.000 0.301 536 F C 1.412 177.111 175.800 -0.168 0.000 1.082 536 F CA 0.737 58.644 58.000 -0.155 0.000 1.360 536 F CB -0.928 38.013 39.000 -0.098 0.000 1.041 536 F HN 0.074 nan 8.300 nan 0.000 0.512 537 L N 0.591 121.126 121.223 -1.147 0.000 2.450 537 L HA -0.125 4.213 4.340 -0.002 0.000 0.224 537 L C 2.290 178.955 176.870 -0.341 0.000 1.149 537 L CA 0.762 55.079 54.840 -0.872 0.000 0.816 537 L CB -0.757 40.803 42.059 -0.831 0.000 0.932 537 L HN 0.210 nan 8.230 nan 0.000 0.449 538 E N 0.265 120.318 120.200 -0.244 0.000 2.265 538 E HA -0.163 4.185 4.350 -0.002 0.000 0.196 538 E C 2.282 178.837 176.600 -0.075 0.000 0.996 538 E CA 0.863 57.202 56.400 -0.101 0.000 0.832 538 E CB -0.033 29.622 29.700 -0.075 0.000 0.756 538 E HN 0.554 nan 8.360 nan 0.000 0.491 539 L N 0.381 121.531 121.223 -0.122 0.000 2.017 539 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 539 L C 2.661 179.526 176.870 -0.009 0.000 1.073 539 L CA 1.432 56.219 54.840 -0.087 0.000 0.745 539 L CB -0.689 41.280 42.059 -0.149 0.000 0.894 539 L HN 0.096 nan 8.230 nan 0.000 0.432 540 V N -2.466 117.455 119.914 0.010 0.000 2.488 540 V HA -0.116 4.003 4.120 -0.002 0.000 0.246 540 V C 2.655 178.796 176.094 0.079 0.000 1.046 540 V CA 1.192 63.545 62.300 0.090 0.000 1.053 540 V CB -0.640 31.285 31.823 0.170 0.000 0.679 540 V HN 0.299 nan 8.190 nan 0.000 0.458 541 R N 1.026 121.550 120.500 0.041 0.000 2.103 541 R HA -0.032 4.307 4.340 -0.002 0.000 0.242 541 R C 1.929 178.278 176.300 0.081 0.000 1.142 541 R CA 2.179 58.307 56.100 0.047 0.000 0.960 541 R CB -1.083 29.241 30.300 0.041 0.000 0.858 541 R HN 0.633 nan 8.270 nan 0.000 0.439 542 L N -0.974 120.300 121.223 0.085 0.000 2.591 542 L HA 0.270 4.608 4.340 -0.002 0.000 0.228 542 L C 0.959 177.914 176.870 0.142 0.000 1.133 542 L CA 0.406 55.311 54.840 0.108 0.000 0.880 542 L CB 0.131 42.234 42.059 0.075 0.000 1.033 542 L HN 0.573 nan 8.230 nan 0.000 0.450 543 G N -0.228 108.675 108.800 0.171 0.000 2.160 543 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.244 543 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.244 543 G C 0.537 175.571 174.900 0.224 0.000 1.022 543 G CA 0.309 45.574 45.100 0.276 0.000 0.741 543 G HN 0.144 nan 8.290 nan 0.000 0.508 544 V N -1.064 118.922 119.914 0.120 0.000 2.949 544 V HA 0.275 4.394 4.120 -0.002 0.000 0.245 544 V C 1.166 177.273 176.094 0.022 0.000 1.086 544 V CA 1.488 63.795 62.300 0.012 0.000 1.097 544 V CB 0.210 31.976 31.823 -0.095 0.000 0.762 544 V HN 0.322 nan 8.190 nan 0.000 0.470 545 K N -0.052 120.385 120.400 0.062 0.000 2.469 545 K HA 0.537 4.855 4.320 -0.002 0.000 0.254 545 K C -0.603 176.071 176.600 0.124 0.000 0.939 545 K CA -0.277 56.058 56.287 0.081 0.000 0.812 545 K CB 2.178 34.723 32.500 0.075 0.000 1.301 545 K HN 0.066 nan 8.250 nan 0.000 0.433 546 S N 0.813 116.585 115.700 0.120 0.000 2.585 546 S HA 0.166 4.634 4.470 -0.002 0.000 0.273 546 S C 1.284 175.988 174.600 0.174 0.000 1.339 546 S CA 0.002 58.285 58.200 0.139 0.000 1.028 546 S CB 1.182 64.442 63.200 0.100 0.000 0.906 546 S HN 0.662 nan 8.310 nan 0.000 0.528 547 A N 1.731 124.650 122.820 0.164 0.000 2.015 547 A HA -0.101 4.218 4.320 -0.002 0.000 0.219 547 A C 1.427 179.152 177.584 0.235 0.000 1.163 547 A CA 1.579 53.734 52.037 0.197 0.000 0.646 547 A CB -0.508 18.460 19.000 -0.054 0.000 0.806 547 A HN 0.860 nan 8.150 nan 0.000 0.448 548 D N -0.610 119.882 120.400 0.154 0.000 2.339 548 D HA 0.009 4.647 4.640 -0.002 0.000 0.217 548 D C 0.259 176.641 176.300 0.136 0.000 1.050 548 D CA -0.167 53.917 54.000 0.141 0.000 0.856 548 D CB -0.438 40.417 40.800 0.092 0.000 0.922 548 D HN 0.253 nan 8.370 nan 0.000 0.518 549 D N 2.020 122.506 120.400 0.145 0.000 2.520 549 D HA -0.064 4.575 4.640 -0.002 0.000 0.243 549 D C -1.012 175.360 176.300 0.119 0.000 1.160 549 D CA -1.052 53.018 54.000 0.117 0.000 0.877 549 D CB 1.429 42.310 40.800 0.135 0.000 1.150 549 D HN 0.010 nan 8.370 nan 0.000 0.494 550 P HA -0.178 nan 4.420 nan 0.000 0.218 550 P C 0.890 178.228 177.300 0.063 0.000 1.146 550 P CA 1.219 64.358 63.100 0.065 0.000 0.813 550 P CB 0.340 32.059 31.700 0.031 0.000 0.778 551 K N -0.872 119.527 120.400 -0.002 0.000 2.103 551 K HA -0.024 4.295 4.320 -0.002 0.000 0.204 551 K C 2.192 178.914 176.600 0.203 0.000 1.052 551 K CA 0.807 57.046 56.287 -0.079 0.000 0.945 551 K CB -0.284 31.870 32.500 -0.576 0.000 0.722 551 K HN 0.098 nan 8.250 nan 0.000 0.443 552 I N 1.344 122.112 120.570 0.330 0.000 2.202 552 I HA -0.236 3.933 4.170 -0.002 0.000 0.242 552 I C 2.175 178.486 176.117 0.324 0.000 1.091 552 I CA 1.196 62.776 61.300 0.467 0.000 1.368 552 I CB -0.841 37.394 38.000 0.391 0.000 1.058 552 I HN 0.143 nan 8.210 nan 0.000 0.410 553 L N 0.561 121.922 121.223 0.230 0.000 2.083 553 L HA -0.207 4.131 4.340 -0.002 0.000 0.209 553 L C 2.129 179.082 176.870 0.139 0.000 1.083 553 L CA 1.782 56.729 54.840 0.179 0.000 0.752 553 L CB -1.774 40.380 42.059 0.158 0.000 0.899 553 L HN 0.383 nan 8.230 nan 0.000 0.433 554 N N -1.006 117.774 118.700 0.134 0.000 2.120 554 N HA -0.155 4.584 4.740 -0.002 0.000 0.188 554 N C 1.617 177.165 175.510 0.063 0.000 1.024 554 N CA 1.718 54.835 53.050 0.110 0.000 0.852 554 N CB 0.006 38.582 38.487 0.148 0.000 1.003 554 N HN 0.308 nan 8.380 nan 0.000 0.424 555 T N 1.177 115.744 114.554 0.022 0.000 2.821 555 T HA -0.075 4.274 4.350 -0.002 0.000 0.267 555 T C 1.806 176.376 174.700 -0.217 0.000 1.046 555 T CA 0.522 62.482 62.100 -0.233 0.000 1.139 555 T CB -0.217 68.234 68.868 -0.695 0.000 0.871 555 T HN 0.059 nan 8.240 nan 0.000 0.454 556 L N 1.325 122.570 121.223 0.038 0.000 2.042 556 L HA -0.048 4.291 4.340 -0.002 0.000 0.210 556 L C 2.252 179.179 176.870 0.096 0.000 1.076 556 L CA 1.717 56.651 54.840 0.157 0.000 0.749 556 L CB -0.516 41.622 42.059 0.132 0.000 0.893 556 L HN 0.165 nan 8.230 nan 0.000 0.432 557 K N -1.428 119.011 120.400 0.065 0.000 2.026 557 K HA -0.135 4.184 4.320 -0.002 0.000 0.208 557 K C 1.922 178.528 176.600 0.010 0.000 1.048 557 K CA 1.630 57.950 56.287 0.055 0.000 0.929 557 K CB -0.427 32.103 32.500 0.049 0.000 0.713 557 K HN 0.210 nan 8.250 nan 0.000 0.439 558 V N 1.223 121.092 119.914 -0.075 0.000 2.295 558 V HA -0.210 3.908 4.120 -0.002 0.000 0.246 558 V C 2.359 178.385 176.094 -0.114 0.000 1.049 558 V CA 1.430 63.617 62.300 -0.187 0.000 1.024 558 V CB -0.405 31.117 31.823 -0.502 0.000 0.648 558 V HN 0.076 nan 8.190 nan 0.000 0.447 559 V N 0.400 120.280 119.914 -0.056 0.000 2.287 559 V HA -0.282 3.837 4.120 -0.002 0.000 0.248 559 V C 2.276 178.503 176.094 0.222 0.000 1.053 559 V CA 2.348 64.701 62.300 0.089 0.000 1.027 559 V CB -0.702 31.225 31.823 0.174 0.000 0.646 559 V HN 0.554 nan 8.190 nan 0.000 0.447 560 D N -0.291 120.255 120.400 0.244 0.000 2.219 560 D HA -0.083 4.555 4.640 -0.002 0.000 0.205 560 D C 2.367 178.752 176.300 0.141 0.000 0.970 560 D CA 1.323 55.499 54.000 0.295 0.000 0.851 560 D CB -0.104 40.870 40.800 0.290 0.000 0.943 560 D HN 0.385 nan 8.370 nan 0.000 0.488 561 S N -0.682 115.065 115.700 0.078 0.000 2.461 561 S HA -0.061 4.408 4.470 -0.002 0.000 0.228 561 S C 2.013 176.622 174.600 0.014 0.000 1.005 561 S CA 1.351 59.570 58.200 0.031 0.000 0.942 561 S CB 0.140 63.341 63.200 0.002 0.000 0.776 561 S HN 0.505 nan 8.310 nan 0.000 0.514 562 T N -0.004 114.562 114.554 0.019 0.000 3.056 562 T HA 0.276 4.624 4.350 -0.002 0.000 0.243 562 T C 1.363 176.088 174.700 0.043 0.000 0.995 562 T CA 0.033 62.130 62.100 -0.004 0.000 1.091 562 T CB -0.398 68.434 68.868 -0.060 0.000 0.990 562 T HN 0.486 nan 8.240 nan 0.000 0.464 563 I N -1.439 119.215 120.570 0.140 0.000 4.009 563 I HA 0.517 4.686 4.170 -0.002 0.000 0.331 563 I C 0.191 176.448 176.117 0.234 0.000 1.462 563 I CA -0.855 60.611 61.300 0.276 0.000 1.117 563 I CB 0.165 38.352 38.000 0.313 0.000 1.091 563 I HN -0.032 nan 8.210 nan 0.000 0.410 564 K N 2.228 122.644 120.400 0.027 0.000 2.143 564 K HA 0.648 4.967 4.320 -0.002 0.000 0.272 564 K C -1.172 175.213 176.600 -0.359 0.000 1.001 564 K CA -0.371 55.620 56.287 -0.493 0.000 0.915 564 K CB 2.023 34.285 32.500 -0.397 0.000 1.047 564 K HN 0.102 nan 8.250 nan 0.000 0.458 565 V N 3.454 123.057 119.914 -0.518 0.000 2.686 565 V HA 0.176 4.294 4.120 -0.002 0.000 0.306 565 V C -1.173 174.737 176.094 -0.306 0.000 1.065 565 V CA -1.011 61.107 62.300 -0.304 0.000 0.894 565 V CB 2.000 33.666 31.823 -0.261 0.000 1.004 565 V HN 0.843 nan 8.190 nan 0.000 0.424 566 D N 3.336 123.624 120.400 -0.187 0.000 2.359 566 D HA 0.390 5.029 4.640 -0.002 0.000 0.230 566 D C 0.401 176.658 176.300 -0.073 0.000 1.118 566 D CA 0.133 54.050 54.000 -0.139 0.000 0.844 566 D CB 1.929 42.665 40.800 -0.107 0.000 1.059 566 D HN 0.748 nan 8.370 nan 0.000 0.493 567 T N -0.723 113.815 114.554 -0.028 0.000 2.912 567 T HA 0.384 4.733 4.350 -0.002 0.000 0.280 567 T C -1.638 173.058 174.700 -0.005 0.000 0.989 567 T CA -1.488 60.627 62.100 0.024 0.000 0.995 567 T CB 1.920 70.874 68.868 0.144 0.000 1.077 567 T HN 0.018 nan 8.240 nan 0.000 0.531 568 P HA 0.064 nan 4.420 nan 0.000 0.234 568 P C 0.724 177.978 177.300 -0.077 0.000 1.167 568 P CA 0.596 63.676 63.100 -0.034 0.000 0.763 568 P CB 0.174 31.863 31.700 -0.018 0.000 0.835 569 K N -0.721 119.615 120.400 -0.107 0.000 2.354 569 K HA 0.335 4.654 4.320 -0.002 0.000 0.194 569 K C 1.269 177.591 176.600 -0.463 0.000 1.038 569 K CA 0.560 56.665 56.287 -0.303 0.000 1.052 569 K CB 0.996 33.242 32.500 -0.424 0.000 0.861 569 K HN 0.226 nan 8.250 nan 0.000 0.535 570 G N 2.173 110.812 108.800 -0.270 0.000 2.359 570 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.303 570 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.303 570 G C -3.279 171.594 174.900 -0.046 0.000 1.293 570 G CA -1.063 43.906 45.100 -0.219 0.000 0.964 570 G HN -0.209 nan 8.290 nan 0.000 0.531 571 P HA 0.561 nan 4.420 nan 0.000 0.282 571 P C -0.406 176.880 177.300 -0.022 0.000 1.249 571 P CA -0.018 63.000 63.100 -0.136 0.000 0.806 571 P CB 1.969 33.552 31.700 -0.195 0.000 0.984 572 S N 1.672 117.139 115.700 -0.390 0.000 2.656 572 S HA 0.700 5.168 4.470 -0.002 0.000 0.273 572 S C -1.913 172.389 174.600 -0.497 0.000 1.168 572 S CA -0.646 57.460 58.200 -0.157 0.000 0.817 572 S CB 0.902 64.008 63.200 -0.156 0.000 1.146 572 S HN 0.447 nan 8.310 nan 0.000 0.475 573 W N 0.764 121.995 121.300 -0.114 0.000 3.029 573 W HA 0.468 5.127 4.660 -0.002 0.000 0.339 573 W C -1.354 175.032 176.519 -0.222 0.000 1.198 573 W CA -0.632 56.635 57.345 -0.130 0.000 1.148 573 W CB 1.140 30.594 29.460 -0.010 0.000 1.451 573 W HN 0.615 nan 8.180 nan 0.000 0.564 574 Y N 0.515 120.883 120.300 0.113 0.000 2.326 574 Y HA 0.179 4.727 4.550 -0.002 0.000 0.324 574 Y C 1.711 177.504 175.900 -0.179 0.000 1.291 574 Y CA -0.140 57.909 58.100 -0.085 0.000 1.348 574 Y CB 0.887 39.262 38.460 -0.141 0.000 1.294 574 Y HN 0.254 nan 8.280 nan 0.000 0.525 575 R N 0.409 120.695 120.500 -0.356 0.000 2.148 575 R HA -0.030 4.309 4.340 -0.002 0.000 0.227 575 R C -1.083 175.272 176.300 0.092 0.000 1.103 575 R CA 1.201 57.039 56.100 -0.436 0.000 0.983 575 R CB -0.123 29.396 30.300 -1.301 0.000 0.874 575 R HN 0.694 nan 8.270 nan 0.000 0.451 576 Y N -2.989 117.310 120.300 -0.001 0.000 2.721 576 Y HA 0.199 4.747 4.550 -0.002 0.000 0.357 576 Y C -1.967 173.882 175.900 -0.085 0.000 1.183 576 Y CA -2.617 55.500 58.100 0.028 0.000 1.231 576 Y CB -0.060 38.450 38.460 0.082 0.000 1.390 576 Y HN -0.119 nan 8.280 nan 0.000 0.488 577 N N 2.594 121.310 118.700 0.028 0.000 2.458 577 N HA 0.198 4.937 4.740 -0.002 0.000 0.258 577 N C -0.290 175.069 175.510 -0.251 0.000 1.219 577 N CA 0.814 53.682 53.050 -0.303 0.000 0.902 577 N CB -0.167 38.085 38.487 -0.392 0.000 1.076 577 N HN 0.920 nan 8.380 nan 0.000 0.455 578 H N -3.366 115.564 119.070 -0.233 0.000 3.257 578 H HA -0.162 4.392 4.556 -0.002 0.000 0.222 578 H C -0.740 174.559 175.328 -0.047 0.000 1.143 578 H CA 0.877 56.829 56.048 -0.159 0.000 1.152 578 H CB -1.664 27.916 29.762 -0.304 0.000 1.188 578 H HN 0.794 nan 8.280 nan 0.000 0.315 579 D N 0.812 121.073 120.400 -0.231 0.000 2.458 579 D HA 0.226 4.865 4.640 -0.002 0.000 0.243 579 D C 1.435 177.690 176.300 -0.074 0.000 1.146 579 D CA 1.175 54.950 54.000 -0.376 0.000 0.877 579 D CB 0.760 41.023 40.800 -0.896 0.000 1.176 579 D HN 0.454 nan 8.370 nan 0.000 0.461 580 G N 2.841 111.693 108.800 0.087 0.000 3.324 580 G HA2 -0.063 3.896 3.960 -0.002 0.000 0.251 580 G HA3 -0.063 3.896 3.960 -0.002 0.000 0.251 580 G C 0.202 175.210 174.900 0.180 0.000 1.072 580 G CA -0.386 44.794 45.100 0.133 0.000 0.787 580 G HN 0.594 nan 8.290 nan 0.000 0.537 581 Y N 1.754 122.045 120.300 -0.015 0.000 2.530 581 Y HA 0.443 4.992 4.550 -0.002 0.000 0.340 581 Y C 0.700 176.465 175.900 -0.225 0.000 1.247 581 Y CA 0.246 58.257 58.100 -0.148 0.000 1.727 581 Y CB -0.312 38.122 38.460 -0.044 0.000 1.613 581 Y HN 0.201 nan 8.280 nan 0.000 0.464 582 G N 2.991 111.476 108.800 -0.524 0.000 2.322 582 G HA2 0.107 4.066 3.960 -0.002 0.000 0.295 582 G HA3 0.107 4.066 3.960 -0.002 0.000 0.295 582 G C -1.671 173.066 174.900 -0.272 0.000 1.369 582 G CA -1.244 43.587 45.100 -0.448 0.000 0.821 582 G HN 0.252 nan 8.290 nan 0.000 0.536 583 E N 1.481 121.562 120.200 -0.198 0.000 2.465 583 E HA 0.194 4.543 4.350 -0.002 0.000 0.260 583 E C -1.205 175.428 176.600 0.056 0.000 0.980 583 E CA -0.892 55.479 56.400 -0.049 0.000 0.927 583 E CB 1.430 31.211 29.700 0.135 0.000 0.934 583 E HN 0.218 nan 8.360 nan 0.000 0.459 584 P HA -0.126 nan 4.420 nan 0.000 0.219 584 P C -0.081 177.297 177.300 0.131 0.000 1.150 584 P CA 1.045 64.197 63.100 0.085 0.000 0.814 584 P CB 0.426 32.163 31.700 0.061 0.000 0.787 585 S N -2.896 112.910 115.700 0.176 0.000 2.705 585 S HA 0.471 4.940 4.470 -0.002 0.000 0.280 585 S C 0.710 175.471 174.600 0.269 0.000 1.174 585 S CA -0.686 57.626 58.200 0.187 0.000 0.823 585 S CB 1.766 65.027 63.200 0.102 0.000 1.162 585 S HN -0.305 nan 8.310 nan 0.000 0.487 586 K N 0.622 121.074 120.400 0.086 0.000 2.283 586 K HA 0.052 4.371 4.320 -0.002 0.000 0.202 586 K C 1.559 178.143 176.600 -0.027 0.000 1.048 586 K CA 1.985 58.160 56.287 -0.186 0.000 0.948 586 K CB -0.570 31.697 32.500 -0.387 0.000 0.742 586 K HN 0.814 nan 8.250 nan 0.000 0.458 587 T N -2.653 111.928 114.554 0.046 0.000 3.129 587 T HA 0.274 4.623 4.350 -0.002 0.000 0.267 587 T C -0.189 174.580 174.700 0.114 0.000 1.018 587 T CA -0.582 61.556 62.100 0.064 0.000 0.903 587 T CB 0.050 68.936 68.868 0.030 0.000 1.067 587 T HN 0.006 nan 8.240 nan 0.000 0.549 588 E N 0.970 121.263 120.200 0.155 0.000 2.266 588 E HA 0.597 4.945 4.350 -0.002 0.000 0.268 588 E C -0.919 175.785 176.600 0.173 0.000 0.879 588 E CA -0.891 55.605 56.400 0.159 0.000 0.762 588 E CB 2.412 32.188 29.700 0.127 0.000 1.199 588 E HN 0.229 nan 8.360 nan 0.000 0.422 589 L N 1.918 123.240 121.223 0.165 0.000 2.421 589 L HA 0.340 4.679 4.340 -0.002 0.000 0.263 589 L C -0.145 176.549 176.870 -0.294 0.000 1.122 589 L CA -0.916 53.934 54.840 0.016 0.000 0.804 589 L CB 0.341 42.428 42.059 0.047 0.000 1.150 589 L HN 0.580 nan 8.230 nan 0.000 0.457 590 Y N 0.479 120.230 120.300 -0.915 0.000 2.442 590 Y HA 0.049 4.597 4.550 -0.002 0.000 0.330 590 Y C 0.078 175.468 175.900 -0.849 0.000 1.129 590 Y CA 0.166 57.638 58.100 -1.047 0.000 1.365 590 Y CB 0.275 37.459 38.460 -2.127 0.000 1.233 590 Y HN 0.460 nan 8.280 nan 0.000 0.529 591 H N 3.712 122.237 119.070 -0.908 0.000 2.777 591 H HA 0.318 4.873 4.556 -0.002 0.000 0.244 591 H C 0.916 175.810 175.328 -0.724 0.000 1.185 591 H CA 0.139 55.830 56.048 -0.595 0.000 0.945 591 H CB 0.915 30.524 29.762 -0.254 0.000 1.994 591 H HN 0.920 nan 8.280 nan 0.000 0.638 592 G N -0.107 107.815 108.800 -1.464 0.000 2.380 592 G HA2 0.022 3.981 3.960 -0.002 0.000 0.197 592 G HA3 0.022 3.981 3.960 -0.002 0.000 0.197 592 G C 0.134 174.854 174.900 -0.300 0.000 1.001 592 G CA -0.219 44.492 45.100 -0.648 0.000 0.668 592 G HN 0.693 nan 8.290 nan 0.000 0.483 593 A N -0.660 121.957 122.820 -0.338 0.000 2.491 593 A HA 0.981 5.300 4.320 -0.002 0.000 0.293 593 A C 0.256 177.856 177.584 0.027 0.000 1.047 593 A CA 0.726 52.770 52.037 0.011 0.000 0.735 593 A CB 1.080 20.087 19.000 0.013 0.000 1.281 593 A HN 2.021 nan 8.150 nan 0.000 0.398 594 G N 1.061 109.944 108.800 0.138 0.000 2.696 594 G HA2 0.539 4.498 3.960 -0.002 0.000 0.151 594 G HA3 0.539 4.498 3.960 -0.002 0.000 0.151 594 G C -1.459 173.491 174.900 0.084 0.000 1.197 594 G CA -0.606 44.549 45.100 0.092 0.000 1.053 594 G HN 0.642 nan 8.290 nan 0.000 0.546 595 K N 0.580 121.010 120.400 0.050 0.000 2.502 595 K HA 0.546 4.864 4.320 -0.002 0.000 0.254 595 K C 0.069 176.668 176.600 -0.002 0.000 0.947 595 K CA -0.569 55.736 56.287 0.031 0.000 0.834 595 K CB 2.164 34.695 32.500 0.052 0.000 1.112 595 K HN 0.686 nan 8.250 nan 0.000 0.427 596 G N 2.687 111.483 108.800 -0.007 0.000 2.491 596 G HA2 0.084 4.042 3.960 -0.002 0.000 0.238 596 G HA3 0.084 4.042 3.960 -0.002 0.000 0.238 596 G C -0.017 174.957 174.900 0.124 0.000 1.277 596 G CA -0.321 44.794 45.100 0.025 0.000 0.851 596 G HN 0.378 nan 8.290 nan 0.000 0.573 597 R N -0.012 120.540 120.500 0.087 0.000 3.024 597 R HA 0.467 4.806 4.340 -0.002 0.000 0.224 597 R C -0.464 175.831 176.300 -0.010 0.000 1.490 597 R CA -1.202 54.910 56.100 0.020 0.000 1.057 597 R CB -0.170 29.964 30.300 -0.276 0.000 1.723 597 R HN 0.300 nan 8.270 nan 0.000 0.520 598 L N 0.965 122.029 121.223 -0.264 0.000 2.349 598 L HA 0.200 4.539 4.340 -0.002 0.000 0.275 598 L C -0.504 176.252 176.870 -0.190 0.000 1.115 598 L CA 0.054 54.711 54.840 -0.305 0.000 0.820 598 L CB 0.033 41.823 42.059 -0.448 0.000 1.135 598 L HN 0.348 nan 8.230 nan 0.000 0.445 599 W N 5.454 126.531 121.300 -0.373 0.000 2.283 599 W HA 0.429 5.088 4.660 -0.002 0.000 0.317 599 W C -1.286 175.037 176.519 -0.327 0.000 1.042 599 W CA -1.970 55.164 57.345 -0.353 0.000 1.348 599 W CB 0.626 29.895 29.460 -0.319 0.000 1.216 599 W HN 0.448 nan 8.180 nan 0.000 0.404 600 P HA -0.216 nan 4.420 nan 0.000 0.223 600 P C 1.674 178.952 177.300 -0.036 0.000 1.144 600 P CA 0.928 63.890 63.100 -0.229 0.000 0.783 600 P CB 0.414 31.926 31.700 -0.313 0.000 0.771 601 L N -0.365 120.807 121.223 -0.084 0.000 2.046 601 L HA -0.123 4.215 4.340 -0.002 0.000 0.208 601 L C 2.242 179.061 176.870 -0.084 0.000 1.077 601 L CA 1.803 56.553 54.840 -0.150 0.000 0.747 601 L CB -1.414 40.470 42.059 -0.292 0.000 0.896 601 L HN -0.154 nan 8.230 nan 0.000 0.432 602 L N -1.218 120.014 121.223 0.015 0.000 2.291 602 L HA -0.117 4.221 4.340 -0.002 0.000 0.214 602 L C 2.233 179.136 176.870 0.054 0.000 1.120 602 L CA 1.140 55.986 54.840 0.010 0.000 0.799 602 L CB -0.940 41.163 42.059 0.074 0.000 0.925 602 L HN 0.280 nan 8.230 nan 0.000 0.446 603 T N -0.247 114.454 114.554 0.245 0.000 2.777 603 T HA -0.091 4.258 4.350 -0.002 0.000 0.266 603 T C 1.872 176.718 174.700 0.243 0.000 1.040 603 T CA 1.353 63.727 62.100 0.457 0.000 1.141 603 T CB -0.303 68.901 68.868 0.560 0.000 0.868 603 T HN 0.541 nan 8.240 nan 0.000 0.444 604 G N 1.107 109.990 108.800 0.137 0.000 2.402 604 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.216 604 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.216 604 G C 1.463 176.331 174.900 -0.053 0.000 1.162 604 G CA 0.422 45.561 45.100 0.066 0.000 0.777 604 G HN 0.475 nan 8.290 nan 0.000 0.539 605 E N -0.009 120.133 120.200 -0.097 0.000 2.110 605 E HA -0.144 4.205 4.350 -0.002 0.000 0.193 605 E C 2.581 179.041 176.600 -0.233 0.000 0.988 605 E CA 0.851 57.165 56.400 -0.144 0.000 0.804 605 E CB -0.025 29.586 29.700 -0.148 0.000 0.745 605 E HN 0.267 nan 8.360 nan 0.000 0.458 606 R N 0.847 121.132 120.500 -0.359 0.000 2.092 606 R HA -0.070 4.268 4.340 -0.002 0.000 0.231 606 R C 2.154 178.101 176.300 -0.588 0.000 1.119 606 R CA 1.735 57.520 56.100 -0.526 0.000 0.970 606 R CB -0.955 28.858 30.300 -0.812 0.000 0.864 606 R HN 0.166 nan 8.270 nan 0.000 0.440 607 G N 0.225 108.649 108.800 -0.627 0.000 2.422 607 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.218 607 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.218 607 G C 1.279 176.014 174.900 -0.276 0.000 1.146 607 G CA 0.896 45.652 45.100 -0.574 0.000 0.769 607 G HN 0.216 nan 8.290 nan 0.000 0.547 608 M N -0.512 118.976 119.600 -0.186 0.000 2.229 608 M HA 0.047 4.526 4.480 -0.002 0.000 0.264 608 M C 2.252 178.469 176.300 -0.138 0.000 1.063 608 M CA 0.581 55.803 55.300 -0.130 0.000 1.114 608 M CB -1.010 31.541 32.600 -0.081 0.000 1.387 608 M HN 0.487 nan 8.290 nan 0.000 0.420 609 Y N 1.716 121.874 120.300 -0.236 0.000 2.220 609 Y HA -0.153 4.395 4.550 -0.002 0.000 0.291 609 Y C 2.132 177.937 175.900 -0.158 0.000 1.129 609 Y CA 1.546 59.525 58.100 -0.203 0.000 1.161 609 Y CB -0.060 38.240 38.460 -0.266 0.000 0.997 609 Y HN 0.141 nan 8.280 nan 0.000 0.522 610 E N 0.895 120.879 120.200 -0.360 0.000 2.118 610 E HA -0.220 4.129 4.350 -0.002 0.000 0.195 610 E C 2.302 178.734 176.600 -0.280 0.000 0.992 610 E CA 1.692 57.901 56.400 -0.319 0.000 0.804 610 E CB -0.451 29.175 29.700 -0.123 0.000 0.741 610 E HN 0.654 nan 8.360 nan 0.000 0.458 611 I N 0.797 121.235 120.570 -0.219 0.000 2.286 611 I HA -0.233 3.936 4.170 -0.002 0.000 0.248 611 I C 2.329 178.336 176.117 -0.184 0.000 1.115 611 I CA 1.017 62.227 61.300 -0.150 0.000 1.392 611 I CB -0.287 37.640 38.000 -0.121 0.000 1.065 611 I HN -0.007 nan 8.210 nan 0.000 0.418 612 A N 0.533 123.195 122.820 -0.264 0.000 2.066 612 A HA 0.073 4.391 4.320 -0.002 0.000 0.218 612 A C 2.248 179.677 177.584 -0.258 0.000 1.157 612 A CA 1.319 53.213 52.037 -0.238 0.000 0.670 612 A CB -0.442 18.427 19.000 -0.219 0.000 0.804 612 A HN 0.401 nan 8.150 nan 0.000 0.453 613 A N -1.186 121.392 122.820 -0.403 0.000 2.302 613 A HA 0.436 4.755 4.320 -0.002 0.000 0.219 613 A C 1.551 179.046 177.584 -0.149 0.000 1.243 613 A CA 0.861 52.714 52.037 -0.307 0.000 0.856 613 A CB -1.162 17.561 19.000 -0.462 0.000 0.893 613 A HN 1.778 nan 8.150 nan 0.000 0.491 614 G N -0.008 108.715 108.800 -0.127 0.000 2.273 614 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.280 614 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.280 614 G C 0.064 174.933 174.900 -0.052 0.000 1.047 614 G CA 0.840 45.895 45.100 -0.073 0.000 0.869 614 G HN 0.615 nan 8.290 nan 0.000 0.502 615 K N -0.730 119.640 120.400 -0.050 0.000 2.346 615 K HA 0.469 4.788 4.320 -0.002 0.000 0.238 615 K C -0.871 175.748 176.600 0.032 0.000 1.039 615 K CA -1.120 55.167 56.287 -0.001 0.000 0.861 615 K CB 1.254 33.767 32.500 0.022 0.000 1.278 615 K HN 0.049 nan 8.250 nan 0.000 0.460 616 D N 0.472 120.910 120.400 0.064 0.000 2.348 616 D HA 0.193 4.832 4.640 -0.002 0.000 0.253 616 D C -0.109 176.277 176.300 0.144 0.000 1.161 616 D CA -0.017 54.035 54.000 0.086 0.000 0.876 616 D CB 1.344 42.184 40.800 0.068 0.000 1.160 616 D HN 0.572 nan 8.370 nan 0.000 0.459 617 A N 3.019 125.919 122.820 0.134 0.000 2.387 617 A HA 0.084 4.403 4.320 -0.002 0.000 0.234 617 A C 1.890 179.609 177.584 0.225 0.000 1.253 617 A CA -0.030 52.160 52.037 0.256 0.000 0.894 617 A CB -0.080 18.979 19.000 0.098 0.000 0.963 617 A HN 0.612 nan 8.150 nan 0.000 0.508 618 T N 2.182 116.796 114.554 0.101 0.000 2.653 618 T HA -0.128 4.221 4.350 -0.002 0.000 0.268 618 T C -0.188 174.530 174.700 0.030 0.000 1.035 618 T CA 2.152 64.279 62.100 0.045 0.000 1.154 618 T CB -0.981 67.896 68.868 0.015 0.000 0.862 618 T HN 0.516 nan 8.240 nan 0.000 0.441 619 P HA -0.110 nan 4.420 nan 0.000 0.219 619 P C 0.723 177.901 177.300 -0.202 0.000 1.146 619 P CA 1.326 64.326 63.100 -0.167 0.000 0.808 619 P CB -0.205 31.324 31.700 -0.286 0.000 0.779 620 Y N -0.303 120.041 120.300 0.074 0.000 2.286 620 Y HA -0.092 4.457 4.550 -0.002 0.000 0.293 620 Y C 2.694 178.661 175.900 0.111 0.000 1.124 620 Y CA 0.655 58.822 58.100 0.111 0.000 1.178 620 Y CB -1.394 37.132 38.460 0.111 0.000 1.010 620 Y HN -0.267 nan 8.280 nan 0.000 0.536 621 V N 0.253 120.301 119.914 0.223 0.000 2.295 621 V HA -0.274 3.844 4.120 -0.002 0.000 0.246 621 V C 2.312 178.542 176.094 0.227 0.000 1.049 621 V CA 1.727 64.161 62.300 0.223 0.000 1.024 621 V CB -0.444 31.466 31.823 0.145 0.000 0.648 621 V HN 0.287 nan 8.190 nan 0.000 0.447 622 K N 0.373 120.837 120.400 0.107 0.000 2.063 622 K HA -0.106 4.212 4.320 -0.002 0.000 0.208 622 K C 2.296 178.863 176.600 -0.055 0.000 1.048 622 K CA 1.607 57.911 56.287 0.029 0.000 0.928 622 K CB -0.875 31.612 32.500 -0.023 0.000 0.713 622 K HN 0.481 nan 8.250 nan 0.000 0.442 623 A N 1.472 124.245 122.820 -0.078 0.000 1.883 623 A HA -0.168 4.151 4.320 -0.002 0.000 0.217 623 A C 2.314 179.747 177.584 -0.251 0.000 1.186 623 A CA 1.874 53.760 52.037 -0.251 0.000 0.624 623 A CB -0.483 18.456 19.000 -0.102 0.000 0.822 623 A HN 0.224 nan 8.150 nan 0.000 0.444 624 M N -0.968 118.691 119.600 0.098 0.000 2.159 624 M HA -0.191 4.287 4.480 -0.002 0.000 0.263 624 M C 2.030 178.330 176.300 0.000 0.000 1.063 624 M CA 1.769 57.191 55.300 0.202 0.000 1.110 624 M CB -0.559 32.239 32.600 0.330 0.000 1.374 624 M HN 0.513 nan 8.290 nan 0.000 0.411 625 E N 0.428 120.601 120.200 -0.046 0.000 2.110 625 E HA -0.181 4.168 4.350 -0.002 0.000 0.193 625 E C 1.901 178.418 176.600 -0.137 0.000 0.988 625 E CA 1.103 57.416 56.400 -0.146 0.000 0.804 625 E CB -0.033 29.628 29.700 -0.065 0.000 0.745 625 E HN 0.493 nan 8.360 nan 0.000 0.458 626 K N -0.070 120.217 120.400 -0.188 0.000 2.217 626 K HA -0.033 4.286 4.320 -0.002 0.000 0.202 626 K C 1.713 178.211 176.600 -0.169 0.000 1.051 626 K CA 0.723 56.880 56.287 -0.217 0.000 0.952 626 K CB -0.010 32.299 32.500 -0.318 0.000 0.736 626 K HN 0.134 nan 8.250 nan 0.000 0.453 627 F N 1.730 121.637 119.950 -0.072 0.000 2.407 627 F HA 0.008 4.533 4.527 -0.002 0.000 0.299 627 F C 1.301 177.032 175.800 -0.114 0.000 1.097 627 F CA -0.649 57.299 58.000 -0.088 0.000 1.422 627 F CB 0.048 38.992 39.000 -0.094 0.000 1.067 627 F HN -0.064 nan 8.300 nan 0.000 0.539 628 A N 1.484 124.321 122.820 0.027 0.000 2.445 628 A HA 0.174 4.493 4.320 -0.002 0.000 0.242 628 A C 0.193 177.767 177.584 -0.016 0.000 1.075 628 A CA -0.574 51.437 52.037 -0.043 0.000 0.777 628 A CB -0.036 18.898 19.000 -0.110 0.000 1.013 628 A HN 0.403 nan 8.150 nan 0.000 0.493 629 N N 0.377 119.069 118.700 -0.013 0.000 2.418 629 N HA 0.060 4.798 4.740 -0.002 0.000 0.283 629 N C 0.707 176.217 175.510 0.000 0.000 1.267 629 N CA 0.165 53.214 53.050 -0.003 0.000 0.975 629 N CB 0.089 38.572 38.487 -0.006 0.000 1.167 629 N HN 0.741 nan 8.380 nan 0.000 0.581 630 E N -1.332 118.873 120.200 0.008 0.000 2.160 630 E HA -0.130 4.219 4.350 -0.002 0.000 0.195 630 E C 1.281 177.900 176.600 0.031 0.000 0.991 630 E CA 1.341 57.751 56.400 0.016 0.000 0.810 630 E CB -0.675 29.037 29.700 0.020 0.000 0.742 630 E HN 0.789 nan 8.360 nan 0.000 0.466 631 G N -0.793 108.029 108.800 0.038 0.000 2.985 631 G HA2 0.157 4.116 3.960 -0.002 0.000 0.209 631 G HA3 0.157 4.116 3.960 -0.002 0.000 0.209 631 G C 0.964 175.904 174.900 0.066 0.000 1.165 631 G CA 0.193 45.340 45.100 0.079 0.000 0.776 631 G HN 0.479 nan 8.290 nan 0.000 0.541 632 G N -0.174 108.643 108.800 0.028 0.000 2.143 632 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.248 632 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.248 632 G C 0.227 175.173 174.900 0.076 0.000 0.991 632 G CA 0.173 45.281 45.100 0.014 0.000 0.689 632 G HN 0.473 nan 8.290 nan 0.000 0.522 633 I N 0.899 121.512 120.570 0.071 0.000 2.353 633 I HA 0.440 4.609 4.170 -0.002 0.000 0.293 633 I C 0.677 176.825 176.117 0.052 0.000 0.992 633 I CA -0.903 60.487 61.300 0.149 0.000 1.268 633 I CB 1.244 39.276 38.000 0.053 0.000 1.387 633 I HN -0.015 nan 8.210 nan 0.000 0.478 634 I N 5.798 126.366 120.570 -0.004 0.000 2.331 634 I HA 0.200 4.369 4.170 -0.002 0.000 0.292 634 I C 0.590 176.580 176.117 -0.211 0.000 0.998 634 I CA -0.197 60.944 61.300 -0.264 0.000 1.267 634 I CB 1.428 39.065 38.000 -0.605 0.000 1.386 634 I HN 0.605 nan 8.210 nan 0.000 0.476 635 S N 3.844 119.394 115.700 -0.249 0.000 2.693 635 S HA 0.216 4.684 4.470 -0.002 0.000 0.276 635 S C 0.894 175.220 174.600 -0.456 0.000 1.192 635 S CA -0.579 57.421 58.200 -0.333 0.000 0.994 635 S CB 1.777 64.763 63.200 -0.356 0.000 1.012 635 S HN 0.771 nan 8.310 nan 0.000 0.550 636 E N 0.270 120.113 120.200 -0.594 0.000 2.106 636 E HA -0.096 4.253 4.350 -0.002 0.000 0.192 636 E C 0.150 176.068 176.600 -1.136 0.000 0.984 636 E CA 0.880 56.762 56.400 -0.863 0.000 0.806 636 E CB 0.099 29.229 29.700 -0.950 0.000 0.750 636 E HN 0.752 nan 8.360 nan 0.000 0.458 637 Q N -0.132 119.118 119.800 -0.918 0.000 2.421 637 Q HA 0.488 4.827 4.340 -0.002 0.000 0.280 637 Q C -1.282 174.338 176.000 -0.633 0.000 1.085 637 Q CA -0.882 54.417 55.803 -0.839 0.000 0.807 637 Q CB 2.945 31.192 28.738 -0.817 0.000 1.405 637 Q HN 0.093 nan 8.270 nan 0.000 0.419 638 V N -2.848 116.724 119.914 -0.571 0.000 3.007 638 V HA 0.638 4.757 4.120 -0.002 0.000 0.311 638 V C -1.335 174.542 176.094 -0.362 0.000 1.120 638 V CA -1.145 60.887 62.300 -0.447 0.000 0.980 638 V CB 1.175 32.750 31.823 -0.413 0.000 1.033 638 V HN 0.778 nan 8.190 nan 0.000 0.429 639 W N 1.165 122.389 121.300 -0.128 0.000 2.158 639 W HA 0.461 5.120 4.660 -0.002 0.000 0.339 639 W C 1.333 177.803 176.519 -0.081 0.000 1.294 639 W CA 0.253 57.552 57.345 -0.077 0.000 1.231 639 W CB 0.468 29.905 29.460 -0.038 0.000 1.143 639 W HN 0.752 nan 8.180 nan 0.000 0.571 640 E N 0.936 121.257 120.200 0.202 0.000 2.107 640 E HA -0.230 4.119 4.350 -0.002 0.000 0.191 640 E C 1.826 178.481 176.600 0.091 0.000 0.982 640 E CA 1.692 58.138 56.400 0.077 0.000 0.809 640 E CB -0.201 29.548 29.700 0.081 0.000 0.756 640 E HN 0.508 nan 8.360 nan 0.000 0.459 641 D N -0.186 120.286 120.400 0.119 0.000 2.149 641 D HA -0.130 4.509 4.640 -0.002 0.000 0.201 641 D C 1.821 178.150 176.300 0.048 0.000 0.972 641 D CA 2.024 56.058 54.000 0.056 0.000 0.835 641 D CB -0.596 40.213 40.800 0.015 0.000 0.966 641 D HN 0.329 nan 8.370 nan 0.000 0.476 642 T N -5.105 109.498 114.554 0.082 0.000 2.978 642 T HA 0.410 4.759 4.350 -0.002 0.000 0.248 642 T C 1.794 176.570 174.700 0.127 0.000 1.018 642 T CA 0.673 62.816 62.100 0.071 0.000 1.026 642 T CB 0.277 69.169 68.868 0.041 0.000 1.032 642 T HN 0.414 nan 8.240 nan 0.000 0.485 643 G N 1.587 110.501 108.800 0.190 0.000 2.143 643 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.249 643 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.249 643 G C -0.048 175.003 174.900 0.251 0.000 0.981 643 G CA 0.278 45.538 45.100 0.266 0.000 0.665 643 G HN 0.640 nan 8.290 nan 0.000 0.528 644 L N 0.579 121.936 121.223 0.224 0.000 2.456 644 L HA 0.430 4.769 4.340 -0.002 0.000 0.257 644 L C -1.674 175.301 176.870 0.175 0.000 1.162 644 L CA -2.210 52.750 54.840 0.200 0.000 0.808 644 L CB 0.676 42.850 42.059 0.192 0.000 1.136 644 L HN -0.111 nan 8.230 nan 0.000 0.466 645 P HA 0.061 nan 4.420 nan 0.000 0.271 645 P C -0.459 176.800 177.300 -0.068 0.000 1.218 645 P CA -0.248 62.806 63.100 -0.077 0.000 0.780 645 P CB 0.701 32.352 31.700 -0.081 0.000 0.901 646 T N -1.820 112.510 114.554 -0.373 0.000 2.891 646 T HA 0.225 4.573 4.350 -0.002 0.000 0.294 646 T C 0.528 175.075 174.700 -0.255 0.000 1.065 646 T CA -0.178 61.645 62.100 -0.462 0.000 0.936 646 T CB 0.143 68.478 68.868 -0.888 0.000 1.415 646 T HN 0.194 nan 8.240 nan 0.000 0.572 647 D N 0.424 120.703 120.400 -0.202 0.000 2.370 647 D HA 0.189 4.827 4.640 -0.002 0.000 0.230 647 D C 0.757 176.469 176.300 -0.979 0.000 1.143 647 D CA -0.302 53.508 54.000 -0.316 0.000 0.834 647 D CB -0.553 40.255 40.800 0.014 0.000 0.944 647 D HN 0.620 nan 8.370 nan 0.000 0.504 648 S N -0.833 114.256 115.700 -1.018 0.000 2.634 648 S HA 0.584 5.053 4.470 -0.002 0.000 0.261 648 S C 0.680 174.663 174.600 -1.029 0.000 1.271 648 S CA -0.638 56.697 58.200 -1.440 0.000 0.985 648 S CB 1.100 63.659 63.200 -1.067 0.000 0.968 648 S HN 0.232 nan 8.310 nan 0.000 0.568 649 A N 1.071 123.246 122.820 -1.076 0.000 2.565 649 A HA 0.475 4.794 4.320 -0.002 0.000 0.237 649 A C 0.613 177.875 177.584 -0.537 0.000 1.053 649 A CA 0.269 51.802 52.037 -0.840 0.000 0.755 649 A CB -0.979 17.299 19.000 -1.203 0.000 0.980 649 A HN 1.859 nan 8.150 nan 0.000 0.506 650 S N 2.124 117.606 115.700 -0.363 0.000 2.543 650 S HA 0.690 5.159 4.470 -0.002 0.000 0.273 650 S C -3.469 171.048 174.600 -0.139 0.000 1.152 650 S CA -1.276 56.790 58.200 -0.224 0.000 0.910 650 S CB 1.956 65.026 63.200 -0.216 0.000 1.105 650 S HN 0.374 nan 8.310 nan 0.000 0.465 651 P HA 0.349 nan 4.420 nan 0.000 0.279 651 P C -0.864 176.453 177.300 0.028 0.000 1.239 651 P CA -0.594 62.517 63.100 0.019 0.000 0.789 651 P CB 0.435 32.156 31.700 0.034 0.000 0.933 652 L N 4.159 125.395 121.223 0.020 0.000 2.312 652 L HA 0.212 4.551 4.340 -0.002 0.000 0.287 652 L C 1.108 178.084 176.870 0.178 0.000 1.091 652 L CA 0.206 55.067 54.840 0.035 0.000 0.846 652 L CB -0.653 41.347 42.059 -0.099 0.000 1.219 652 L HN 0.181 nan 8.230 nan 0.000 0.439 653 N N 3.708 122.527 118.700 0.199 0.000 2.137 653 N HA -0.280 4.459 4.740 -0.002 0.000 0.190 653 N C 1.204 176.881 175.510 0.278 0.000 1.017 653 N CA 1.488 54.665 53.050 0.213 0.000 0.859 653 N CB -0.441 38.141 38.487 0.158 0.000 1.002 653 N HN 0.829 nan 8.380 nan 0.000 0.428 654 W N 2.058 123.402 121.300 0.074 0.000 2.358 654 W HA 0.022 4.681 4.660 -0.002 0.000 0.303 654 W C 2.217 178.755 176.519 0.031 0.000 1.208 654 W CA 1.574 58.959 57.345 0.066 0.000 1.274 654 W CB -0.870 28.641 29.460 0.085 0.000 1.138 654 W HN 0.087 nan 8.180 nan 0.000 0.515 655 A N -0.780 122.095 122.820 0.093 0.000 1.930 655 A HA -0.202 4.116 4.320 -0.002 0.000 0.217 655 A C 1.969 179.536 177.584 -0.028 0.000 1.175 655 A CA 1.614 53.595 52.037 -0.093 0.000 0.627 655 A CB -1.192 17.682 19.000 -0.211 0.000 0.815 655 A HN 0.430 nan 8.150 nan 0.000 0.443 656 H N -0.500 118.607 119.070 0.061 0.000 2.389 656 H HA -0.004 4.551 4.556 -0.002 0.000 0.299 656 H C 2.578 177.964 175.328 0.097 0.000 1.081 656 H CA 1.345 57.433 56.048 0.067 0.000 1.345 656 H CB -0.270 29.493 29.762 0.001 0.000 1.393 656 H HN 0.526 nan 8.280 nan 0.000 0.520 657 A N 1.088 124.026 122.820 0.196 0.000 1.902 657 A HA -0.212 4.106 4.320 -0.002 0.000 0.217 657 A C 2.365 180.027 177.584 0.130 0.000 1.181 657 A CA 1.927 54.033 52.037 0.116 0.000 0.623 657 A CB -0.354 18.723 19.000 0.128 0.000 0.818 657 A HN 0.352 nan 8.150 nan 0.000 0.443 658 E N -1.142 119.153 120.200 0.158 0.000 2.077 658 E HA -0.226 4.122 4.350 -0.002 0.000 0.193 658 E C 1.759 178.402 176.600 0.072 0.000 0.989 658 E CA 1.724 58.181 56.400 0.095 0.000 0.800 658 E CB -0.520 29.198 29.700 0.030 0.000 0.746 658 E HN 0.700 nan 8.360 nan 0.000 0.452 659 Y N -0.238 120.077 120.300 0.026 0.000 2.181 659 Y HA -0.195 4.354 4.550 -0.002 0.000 0.288 659 Y C 2.003 177.959 175.900 0.094 0.000 1.146 659 Y CA 1.696 59.821 58.100 0.041 0.000 1.164 659 Y CB -0.251 38.206 38.460 -0.004 0.000 0.982 659 Y HN -0.050 nan 8.280 nan 0.000 0.515 660 V N 0.726 120.669 119.914 0.047 0.000 2.261 660 V HA -0.346 3.773 4.120 -0.002 0.000 0.246 660 V C 2.358 178.454 176.094 0.004 0.000 1.047 660 V CA 2.321 64.661 62.300 0.067 0.000 1.015 660 V CB -0.636 31.271 31.823 0.139 0.000 0.642 660 V HN 0.472 nan 8.190 nan 0.000 0.446 661 I N -0.693 119.876 120.570 -0.002 0.000 2.315 661 I HA -0.226 3.943 4.170 -0.002 0.000 0.248 661 I C 2.346 178.404 176.117 -0.098 0.000 1.117 661 I CA 1.230 62.517 61.300 -0.022 0.000 1.404 661 I CB -0.293 37.710 38.000 0.006 0.000 1.071 661 I HN 0.310 nan 8.210 nan 0.000 0.419 662 L N 0.380 121.526 121.223 -0.128 0.000 2.056 662 L HA -0.206 4.132 4.340 -0.002 0.000 0.207 662 L C 2.303 179.022 176.870 -0.251 0.000 1.078 662 L CA 1.712 56.456 54.840 -0.160 0.000 0.749 662 L CB -0.766 41.223 42.059 -0.117 0.000 0.901 662 L HN 0.155 nan 8.230 nan 0.000 0.433 663 F N 0.491 120.116 119.950 -0.542 0.000 2.069 663 F HA -0.243 4.283 4.527 -0.002 0.000 0.298 663 F C 2.295 177.741 175.800 -0.591 0.000 1.113 663 F CA 1.963 59.591 58.000 -0.620 0.000 1.214 663 F CB -0.759 37.747 39.000 -0.823 0.000 0.978 663 F HN 0.144 nan 8.300 nan 0.000 0.474 664 A N -0.695 121.773 122.820 -0.586 0.000 1.898 664 A HA -0.135 4.184 4.320 -0.002 0.000 0.216 664 A C 2.345 179.648 177.584 -0.468 0.000 1.181 664 A CA 1.907 53.485 52.037 -0.766 0.000 0.620 664 A CB -1.271 17.512 19.000 -0.361 0.000 0.819 664 A HN 0.446 nan 8.150 nan 0.000 0.442 665 S N -0.163 115.354 115.700 -0.305 0.000 2.382 665 S HA -0.169 4.300 4.470 -0.002 0.000 0.228 665 S C 1.938 176.360 174.600 -0.296 0.000 1.027 665 S CA 1.196 59.259 58.200 -0.228 0.000 0.991 665 S CB -0.526 62.581 63.200 -0.155 0.000 0.823 665 S HN 0.768 nan 8.310 nan 0.000 0.469 666 N N 0.658 119.144 118.700 -0.356 0.000 2.309 666 N HA -0.022 4.716 4.740 -0.002 0.000 0.182 666 N C 1.572 176.739 175.510 -0.573 0.000 1.018 666 N CA 0.785 53.619 53.050 -0.360 0.000 0.876 666 N CB -0.028 38.281 38.487 -0.297 0.000 0.972 666 N HN 0.387 nan 8.380 nan 0.000 0.434 667 I N 0.792 120.980 120.570 -0.636 0.000 2.400 667 I HA -0.099 4.070 4.170 -0.002 0.000 0.248 667 I C 1.753 177.514 176.117 -0.593 0.000 1.109 667 I CA 0.695 61.614 61.300 -0.635 0.000 1.425 667 I CB -0.049 37.569 38.000 -0.636 0.000 1.094 667 I HN 0.010 nan 8.210 nan 0.000 0.425 668 E N -0.208 119.754 120.200 -0.397 0.000 2.427 668 E HA -0.097 4.252 4.350 -0.002 0.000 0.196 668 E C -0.099 176.417 176.600 -0.140 0.000 1.028 668 E CA 0.352 56.631 56.400 -0.201 0.000 0.864 668 E CB -0.174 29.474 29.700 -0.086 0.000 0.813 668 E HN 0.405 nan 8.360 nan 0.000 0.514 669 H N 0.156 119.161 119.070 -0.109 0.000 2.819 669 H HA -0.170 4.385 4.556 -0.002 0.000 0.315 669 H C -0.118 175.151 175.328 -0.098 0.000 1.242 669 H CA 1.467 57.456 56.048 -0.099 0.000 1.157 669 H CB -1.938 27.777 29.762 -0.078 0.000 1.451 669 H HN 0.349 nan 8.280 nan 0.000 0.430 670 K N -2.771 117.601 120.400 -0.046 0.000 2.639 670 K HA 0.444 4.762 4.320 -0.002 0.000 0.279 670 K C -0.791 175.752 176.600 -0.095 0.000 0.976 670 K CA -0.904 55.339 56.287 -0.073 0.000 0.861 670 K CB 1.260 33.720 32.500 -0.066 0.000 1.436 670 K HN -0.083 nan 8.250 nan 0.000 0.400 671 V N 3.735 123.583 119.914 -0.110 0.000 2.359 671 V HA 0.006 4.125 4.120 -0.002 0.000 0.248 671 V C 1.579 177.635 176.094 -0.064 0.000 1.091 671 V CA -0.055 62.191 62.300 -0.090 0.000 1.103 671 V CB -0.669 31.096 31.823 -0.097 0.000 1.176 671 V HN 0.696 nan 8.190 nan 0.000 0.488 672 L N 2.861 124.056 121.223 -0.047 0.000 2.261 672 L HA -0.111 4.228 4.340 -0.002 0.000 0.216 672 L C 1.780 178.650 176.870 -0.000 0.000 1.114 672 L CA 1.285 56.114 54.840 -0.019 0.000 0.777 672 L CB -0.219 41.838 42.059 -0.003 0.000 0.910 672 L HN 0.817 nan 8.230 nan 0.000 0.440 673 D N -1.487 118.915 120.400 0.004 0.000 2.424 673 D HA 0.016 4.655 4.640 -0.002 0.000 0.220 673 D C 0.551 176.889 176.300 0.062 0.000 1.150 673 D CA -0.173 53.840 54.000 0.022 0.000 0.831 673 D CB 0.024 40.825 40.800 0.003 0.000 0.981 673 D HN 0.147 nan 8.370 nan 0.000 0.500 674 M N 2.219 121.846 119.600 0.045 0.000 2.108 674 M HA 0.298 4.777 4.480 -0.002 0.000 0.354 674 M C -2.456 173.906 176.300 0.104 0.000 1.229 674 M CA -1.805 53.536 55.300 0.069 0.000 1.081 674 M CB 1.268 33.871 32.600 0.006 0.000 1.606 674 M HN -0.260 nan 8.290 nan 0.000 0.467 675 P HA 0.047 nan 4.420 nan 0.000 0.269 675 P C -0.570 176.829 177.300 0.166 0.000 1.252 675 P CA -0.045 63.179 63.100 0.206 0.000 0.780 675 P CB 0.294 32.102 31.700 0.181 0.000 0.829 676 D N 4.002 124.510 120.400 0.179 0.000 2.133 676 D HA -0.220 4.418 4.640 -0.002 0.000 0.195 676 D C 1.679 178.054 176.300 0.125 0.000 0.997 676 D CA 1.105 55.206 54.000 0.167 0.000 0.840 676 D CB -0.666 40.218 40.800 0.140 0.000 0.947 676 D HN 0.169 nan 8.370 nan 0.000 0.452 677 I N 0.664 121.232 120.570 -0.003 0.000 2.194 677 I HA -0.214 3.954 4.170 -0.002 0.000 0.246 677 I C 2.497 178.555 176.117 -0.099 0.000 1.093 677 I CA 0.721 61.939 61.300 -0.136 0.000 1.355 677 I CB -0.677 37.044 38.000 -0.466 0.000 1.046 677 I HN 0.024 nan 8.210 nan 0.000 0.413 678 V N -0.087 119.809 119.914 -0.030 0.000 2.379 678 V HA -0.289 3.830 4.120 -0.002 0.000 0.245 678 V C 2.332 178.508 176.094 0.135 0.000 1.044 678 V CA 1.547 63.899 62.300 0.086 0.000 1.036 678 V CB -1.023 30.896 31.823 0.161 0.000 0.664 678 V HN 0.330 nan 8.190 nan 0.000 0.453 679 Y N 1.525 121.854 120.300 0.048 0.000 2.128 679 Y HA -0.255 4.294 4.550 -0.002 0.000 0.284 679 Y C 2.497 178.404 175.900 0.011 0.000 1.154 679 Y CA 1.948 60.079 58.100 0.053 0.000 1.149 679 Y CB -0.263 38.222 38.460 0.040 0.000 0.976 679 Y HN 0.117 nan 8.280 nan 0.000 0.505 680 K N -0.269 120.085 120.400 -0.078 0.000 2.280 680 K HA -0.166 4.152 4.320 -0.002 0.000 0.202 680 K C 2.299 178.750 176.600 -0.248 0.000 1.047 680 K CA 1.254 57.435 56.287 -0.177 0.000 0.942 680 K CB -0.108 32.382 32.500 -0.017 0.000 0.739 680 K HN 0.288 nan 8.250 nan 0.000 0.457 681 R N -0.647 119.665 120.500 -0.314 0.000 2.189 681 R HA -0.028 4.310 4.340 -0.002 0.000 0.203 681 R C 0.886 176.833 176.300 -0.589 0.000 1.012 681 R CA 0.957 56.751 56.100 -0.509 0.000 1.015 681 R CB 0.347 30.196 30.300 -0.752 0.000 0.938 681 R HN 0.177 nan 8.270 nan 0.000 0.472 682 Y N -2.294 117.934 120.300 -0.121 0.000 2.512 682 Y HA 0.194 4.743 4.550 -0.002 0.000 0.268 682 Y C 1.606 177.420 175.900 -0.143 0.000 1.102 682 Y CA -0.147 57.895 58.100 -0.098 0.000 1.261 682 Y CB 0.803 39.235 38.460 -0.046 0.000 1.250 682 Y HN -0.199 nan 8.280 nan 0.000 0.506 683 V N -0.843 118.981 119.914 -0.150 0.000 3.151 683 V HA 0.336 4.455 4.120 -0.002 0.000 0.241 683 V C 1.484 177.292 176.094 -0.477 0.000 1.173 683 V CA 0.317 62.463 62.300 -0.256 0.000 1.154 683 V CB -0.622 31.105 31.823 -0.160 0.000 0.898 683 V HN 0.197 nan 8.190 nan 0.000 0.473 684 A N 0.000 122.299 122.820 -0.869 0.000 2.254 684 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 684 A CA 0.000 51.684 52.037 -0.588 0.000 0.836 684 A CB 0.000 18.726 19.000 -0.457 0.000 0.831 684 A HN 0.000 nan 8.150 nan 0.000 0.486