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 1lf6_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 0.000 174.603 174.600 0.004 0.000 1.055 11 S CA 0.000 58.203 58.200 0.005 0.000 1.107 11 S CB 0.000 63.202 63.200 0.004 0.000 0.593 12 I N 1.997 122.570 120.570 0.005 0.000 2.739 12 I HA 0.351 4.520 4.170 -0.002 0.000 0.287 12 I C -1.887 174.236 176.117 0.009 0.000 1.558 12 I CA -0.440 60.863 61.300 0.005 0.000 1.050 12 I CB 1.699 39.700 38.000 0.001 0.000 1.432 12 I HN 0.145 nan 8.210 nan 0.000 0.432 13 K N 8.627 129.035 120.400 0.014 0.000 2.264 13 K HA 0.572 4.890 4.320 -0.002 0.000 0.277 13 K C -1.396 175.222 176.600 0.031 0.000 1.067 13 K CA -0.446 55.854 56.287 0.022 0.000 0.900 13 K CB 0.677 33.192 32.500 0.024 0.000 1.124 13 K HN 0.548 nan 8.250 nan 0.000 0.469 14 I N 4.052 124.641 120.570 0.032 0.000 2.362 14 I HA 0.198 4.367 4.170 -0.002 0.000 0.289 14 I C -0.809 175.347 176.117 0.065 0.000 0.994 14 I CA -0.898 60.427 61.300 0.041 0.000 1.158 14 I CB 1.679 39.693 38.000 0.023 0.000 1.315 14 I HN 0.499 nan 8.210 nan 0.000 0.451 15 D N 6.531 126.994 120.400 0.106 0.000 2.408 15 D HA 0.397 5.035 4.640 -0.002 0.000 0.243 15 D C -0.399 176.020 176.300 0.197 0.000 1.075 15 D CA -0.425 53.676 54.000 0.170 0.000 0.832 15 D CB 2.018 42.947 40.800 0.215 0.000 1.162 15 D HN 0.387 nan 8.370 nan 0.000 0.515 16 R N 1.869 122.448 120.500 0.131 0.000 2.732 16 R HA 0.729 5.067 4.340 -0.002 0.000 0.278 16 R C -1.176 175.190 176.300 0.110 0.000 0.976 16 R CA -0.629 55.437 56.100 -0.057 0.000 0.963 16 R CB 0.997 31.260 30.300 -0.061 0.000 1.150 16 R HN 0.379 nan 8.270 nan 0.000 0.478 17 F N 0.109 120.094 119.950 0.060 0.000 2.693 17 F HA 0.419 4.945 4.527 -0.002 0.000 0.309 17 F C -1.186 174.655 175.800 0.069 0.000 1.129 17 F CA -1.290 56.745 58.000 0.058 0.000 0.948 17 F CB 1.455 40.495 39.000 0.067 0.000 1.315 17 F HN 0.419 nan 8.300 nan 0.000 0.447 18 N N 0.806 119.652 118.700 0.243 0.000 2.725 18 N HA 0.330 5.069 4.740 -0.002 0.000 0.248 18 N C -1.036 174.589 175.510 0.192 0.000 1.402 18 N CA -0.429 52.722 53.050 0.169 0.000 0.766 18 N CB 0.259 38.790 38.487 0.074 0.000 1.223 18 N HN 0.768 nan 8.380 nan 0.000 0.515 19 N N 1.089 119.944 118.700 0.258 0.000 2.250 19 N HA 0.195 4.934 4.740 -0.002 0.000 0.181 19 N C -0.301 175.311 175.510 0.169 0.000 1.017 19 N CA 0.882 54.048 53.050 0.193 0.000 0.866 19 N CB 0.417 39.019 38.487 0.192 0.000 0.985 19 N HN 0.413 nan 8.380 nan 0.000 0.429 20 I N 0.010 120.707 120.570 0.211 0.000 2.529 20 I HA 0.200 4.369 4.170 -0.002 0.000 0.284 20 I C -1.032 175.239 176.117 0.257 0.000 1.088 20 I CA -0.535 60.904 61.300 0.232 0.000 1.062 20 I CB 2.131 40.292 38.000 0.269 0.000 1.218 20 I HN -0.156 nan 8.210 nan 0.000 0.442 21 S N 3.822 119.608 115.700 0.143 0.000 2.562 21 S HA 0.640 5.108 4.470 -0.002 0.000 0.275 21 S C 0.449 174.908 174.600 -0.235 0.000 1.281 21 S CA -0.606 57.605 58.200 0.017 0.000 1.045 21 S CB 1.588 64.790 63.200 0.002 0.000 0.962 21 S HN 0.705 nan 8.310 nan 0.000 0.503 22 A N 2.433 124.942 122.820 -0.518 0.000 2.483 22 A HA 0.442 4.761 4.320 -0.002 0.000 0.238 22 A C 0.419 177.724 177.584 -0.465 0.000 1.070 22 A CA -0.383 50.943 52.037 -1.185 0.000 0.770 22 A CB -0.230 18.213 19.000 -0.928 0.000 1.008 22 A HN 0.924 nan 8.150 nan 0.000 0.497 23 V N -0.049 119.611 119.914 -0.422 0.000 2.994 23 V HA 0.625 4.744 4.120 -0.002 0.000 0.318 23 V C 0.218 176.331 176.094 0.032 0.000 1.085 23 V CA -0.888 61.364 62.300 -0.079 0.000 0.998 23 V CB 1.413 33.209 31.823 -0.044 0.000 1.063 23 V HN 0.984 nan 8.190 nan 0.000 0.447 24 N N 0.764 119.447 118.700 -0.028 0.000 2.738 24 N HA -0.131 4.607 4.740 -0.002 0.000 0.249 24 N C 0.397 175.751 175.510 -0.259 0.000 1.047 24 N CA 1.114 54.114 53.050 -0.085 0.000 0.707 24 N CB -1.167 37.305 38.487 -0.025 0.000 0.937 24 N HN 1.388 nan 8.380 nan 0.000 0.545 25 G N 0.687 109.152 108.800 -0.559 0.000 2.535 25 G HA2 0.423 4.382 3.960 -0.002 0.000 0.282 25 G HA3 0.423 4.382 3.960 -0.002 0.000 0.282 25 G C -0.586 173.952 174.900 -0.603 0.000 1.350 25 G CA -0.359 43.951 45.100 -1.317 0.000 1.039 25 G HN 0.107 nan 8.290 nan 0.000 0.509 26 P HA 0.243 nan 4.420 nan 0.000 0.261 26 P C 0.658 177.738 177.300 -0.368 0.000 1.352 26 P CA 0.852 63.598 63.100 -0.591 0.000 0.891 26 P CB 0.126 31.718 31.700 -0.180 0.000 1.383 27 G N 0.574 109.197 108.800 -0.296 0.000 2.730 27 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.686 27 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.686 27 G C -1.006 173.909 174.900 0.025 0.000 1.343 27 G CA -0.716 44.386 45.100 0.003 0.000 0.826 27 G HN 0.409 nan 8.290 nan 0.000 0.582 28 E N -0.106 120.129 120.200 0.058 0.000 2.349 28 E HA 0.392 4.741 4.350 -0.002 0.000 0.262 28 E C 0.686 177.403 176.600 0.194 0.000 1.088 28 E CA -0.416 56.018 56.400 0.057 0.000 0.899 28 E CB 0.506 30.169 29.700 -0.061 0.000 1.044 28 E HN 0.488 nan 8.360 nan 0.000 0.420 29 E N 1.314 121.592 120.200 0.130 0.000 2.390 29 E HA 0.023 4.372 4.350 -0.002 0.000 0.261 29 E C -0.729 175.976 176.600 0.176 0.000 1.076 29 E CA 0.010 56.473 56.400 0.106 0.000 0.905 29 E CB 0.785 30.518 29.700 0.055 0.000 0.984 29 E HN 0.339 nan 8.360 nan 0.000 0.427 30 D N -0.024 120.381 120.400 0.009 0.000 2.414 30 D HA 0.378 5.017 4.640 -0.002 0.000 0.241 30 D C -0.881 175.366 176.300 -0.088 0.000 1.008 30 D CA -0.332 53.620 54.000 -0.080 0.000 1.001 30 D CB 1.645 42.281 40.800 -0.273 0.000 1.277 30 D HN 0.439 nan 8.370 nan 0.000 0.538 31 T N -2.733 111.767 114.554 -0.090 0.000 2.887 31 T HA 0.606 4.955 4.350 -0.002 0.000 0.292 31 T C -0.393 174.214 174.700 -0.154 0.000 1.087 31 T CA -0.839 61.222 62.100 -0.065 0.000 1.009 31 T CB 0.699 69.622 68.868 0.092 0.000 1.203 31 T HN 0.380 nan 8.240 nan 0.000 0.518 32 W N 0.553 121.922 121.300 0.115 0.000 2.030 32 W HA 0.655 5.314 4.660 -0.002 0.000 0.371 32 W C 0.895 177.428 176.519 0.024 0.000 1.456 32 W CA -0.524 56.855 57.345 0.057 0.000 1.570 32 W CB 0.329 29.834 29.460 0.076 0.000 1.249 32 W HN 1.006 nan 8.180 nan 0.000 0.677 33 A N 0.596 123.596 122.820 0.301 0.000 2.272 33 A HA 0.409 4.728 4.320 -0.002 0.000 0.275 33 A C 0.080 177.741 177.584 0.129 0.000 1.096 33 A CA -0.461 51.670 52.037 0.156 0.000 0.822 33 A CB 0.300 19.369 19.000 0.115 0.000 1.088 33 A HN 0.478 nan 8.150 nan 0.000 0.495 34 S N -0.256 115.491 115.700 0.079 0.000 2.552 34 S HA 0.257 4.726 4.470 -0.002 0.000 0.289 34 S C 1.228 175.812 174.600 -0.028 0.000 1.304 34 S CA 0.050 58.270 58.200 0.032 0.000 1.063 34 S CB 0.422 63.639 63.200 0.029 0.000 0.848 34 S HN 1.509 nan 8.310 nan 0.000 0.499 35 A N 3.578 126.326 122.820 -0.121 0.000 2.209 35 A HA 0.090 4.409 4.320 -0.002 0.000 0.212 35 A C 1.136 178.589 177.584 -0.219 0.000 1.158 35 A CA 0.583 52.492 52.037 -0.213 0.000 0.742 35 A CB -0.362 18.395 19.000 -0.405 0.000 0.790 35 A HN 0.842 nan 8.150 nan 0.000 0.472 36 Q N 1.716 121.416 119.800 -0.167 0.000 2.344 36 Q HA 0.219 4.558 4.340 -0.002 0.000 0.253 36 Q C -0.903 175.039 176.000 -0.097 0.000 1.050 36 Q CA 0.121 55.839 55.803 -0.142 0.000 0.912 36 Q CB 0.315 28.996 28.738 -0.096 0.000 1.258 36 Q HN 0.111 nan 8.270 nan 0.000 0.443 37 K N 3.910 124.244 120.400 -0.110 0.000 2.183 37 K HA 0.178 4.497 4.320 -0.002 0.000 0.274 37 K C 0.135 176.675 176.600 -0.100 0.000 1.009 37 K CA -0.363 55.865 56.287 -0.098 0.000 0.888 37 K CB 1.354 33.787 32.500 -0.113 0.000 1.078 37 K HN 0.723 nan 8.250 nan 0.000 0.459 38 Q N 0.295 120.028 119.800 -0.111 0.000 2.331 38 Q HA 0.094 4.433 4.340 -0.002 0.000 0.203 38 Q C 0.474 176.333 176.000 -0.235 0.000 0.944 38 Q CA 0.448 56.180 55.803 -0.119 0.000 0.892 38 Q CB 0.554 29.234 28.738 -0.096 0.000 0.983 38 Q HN 0.817 nan 8.270 nan 0.000 0.482 39 G N -0.430 108.153 108.800 -0.362 0.000 2.489 39 G HA2 0.444 4.403 3.960 -0.002 0.000 0.291 39 G HA3 0.444 4.403 3.960 -0.002 0.000 0.291 39 G C -1.737 172.886 174.900 -0.462 0.000 1.487 39 G CA -0.312 44.404 45.100 -0.639 0.000 0.795 39 G HN 0.124 nan 8.290 nan 0.000 0.513 40 V N -2.124 117.591 119.914 -0.331 0.000 3.049 40 V HA 1.072 5.191 4.120 -0.002 0.000 0.309 40 V C 0.086 175.941 176.094 -0.398 0.000 1.148 40 V CA 0.061 62.147 62.300 -0.358 0.000 0.990 40 V CB 1.535 33.231 31.823 -0.212 0.000 1.039 40 V HN 2.360 nan 8.190 nan 0.000 0.430 41 G N 0.199 108.500 108.800 -0.831 0.000 2.559 41 G HA2 0.789 4.748 3.960 -0.002 0.000 0.291 41 G HA3 0.789 4.748 3.960 -0.002 0.000 0.291 41 G C -0.978 173.813 174.900 -0.182 0.000 1.424 41 G CA 0.056 44.852 45.100 -0.506 0.000 0.786 41 G HN 1.605 nan 8.290 nan 0.000 0.485 42 T N -1.687 113.072 114.554 0.341 0.000 2.843 42 T HA 0.631 4.979 4.350 -0.002 0.000 0.337 42 T C -0.441 174.504 174.700 0.408 0.000 1.754 42 T CA 0.552 62.806 62.100 0.257 0.000 1.052 42 T CB 0.892 69.572 68.868 -0.314 0.000 1.588 42 T HN 2.051 nan 8.240 nan 0.000 0.493 43 A N 2.557 125.487 122.820 0.184 0.000 2.498 43 A HA 0.405 4.723 4.320 -0.002 0.000 0.239 43 A C 0.666 177.946 177.584 -0.508 0.000 1.068 43 A CA -0.014 51.964 52.037 -0.099 0.000 0.766 43 A CB -0.230 18.745 19.000 -0.042 0.000 1.003 43 A HN 0.778 nan 8.150 nan 0.000 0.497 44 N N 2.294 120.340 118.700 -1.089 0.000 3.254 44 N HA 0.057 4.796 4.740 -0.002 0.000 0.308 44 N C -0.388 174.631 175.510 -0.818 0.000 1.281 44 N CA 0.149 52.390 53.050 -1.349 0.000 1.212 44 N CB -0.612 36.575 38.487 -2.168 0.000 1.478 44 N HN 0.775 nan 8.380 nan 0.000 0.548 45 N N -1.103 117.206 118.700 -0.652 0.000 3.046 45 N HA 0.019 4.757 4.740 -0.002 0.000 0.243 45 N C -0.552 174.630 175.510 -0.548 0.000 1.452 45 N CA -0.575 52.148 53.050 -0.545 0.000 0.882 45 N CB 0.268 38.569 38.487 -0.310 0.000 1.425 45 N HN -0.006 nan 8.380 nan 0.000 0.517 46 Y N -0.214 120.000 120.300 -0.143 0.000 2.482 46 Y HA 0.151 4.699 4.550 -0.002 0.000 0.270 46 Y C 2.105 177.957 175.900 -0.081 0.000 1.152 46 Y CA -0.036 58.001 58.100 -0.105 0.000 1.292 46 Y CB 0.439 38.858 38.460 -0.069 0.000 1.070 46 Y HN 0.304 nan 8.280 nan 0.000 0.528 47 V N -1.255 118.675 119.914 0.026 0.000 2.302 47 V HA -0.168 3.951 4.120 -0.002 0.000 0.243 47 V C 1.280 177.378 176.094 0.006 0.000 1.036 47 V CA 1.292 63.608 62.300 0.026 0.000 1.020 47 V CB -0.400 31.431 31.823 0.013 0.000 0.657 47 V HN 0.186 nan 8.190 nan 0.000 0.453 48 S N 0.945 116.617 115.700 -0.047 0.000 2.494 48 S HA 0.144 4.613 4.470 -0.002 0.000 0.312 48 S C 0.422 174.927 174.600 -0.160 0.000 1.121 48 S CA -0.394 57.779 58.200 -0.045 0.000 1.068 48 S CB -0.444 62.738 63.200 -0.029 0.000 1.141 48 S HN 0.449 nan 8.310 nan 0.000 0.527 49 K N 3.982 124.342 120.400 -0.067 0.000 2.758 49 K HA 0.302 4.621 4.320 -0.002 0.000 0.250 49 K C -1.034 175.536 176.600 -0.049 0.000 1.268 49 K CA -0.220 55.976 56.287 -0.152 0.000 1.228 49 K CB 0.320 32.862 32.500 0.070 0.000 1.715 49 K HN 0.338 nan 8.250 nan 0.000 0.334 50 V N 1.099 120.857 119.914 -0.261 0.000 2.686 50 V HA 0.403 4.522 4.120 -0.002 0.000 0.306 50 V C -0.780 175.315 176.094 0.002 0.000 1.065 50 V CA -1.022 61.289 62.300 0.019 0.000 0.894 50 V CB 1.782 33.652 31.823 0.079 0.000 1.004 50 V HN 0.471 nan 8.190 nan 0.000 0.424 51 W N 4.800 126.242 121.300 0.237 0.000 2.761 51 W HA 0.719 5.378 4.660 -0.002 0.000 0.340 51 W C -0.771 175.975 176.519 0.378 0.000 1.072 51 W CA -0.684 56.805 57.345 0.239 0.000 1.215 51 W CB 2.308 31.825 29.460 0.095 0.000 1.420 51 W HN 0.655 nan 8.180 nan 0.000 0.519 52 F N -0.142 120.069 119.950 0.435 0.000 2.603 52 F HA 0.827 5.352 4.527 -0.002 0.000 0.317 52 F C -0.444 175.503 175.800 0.246 0.000 1.066 52 F CA -1.088 57.107 58.000 0.325 0.000 0.941 52 F CB 1.431 40.562 39.000 0.218 0.000 1.291 52 F HN 0.116 nan 8.300 nan 0.000 0.472 53 T N 0.170 114.911 114.554 0.310 0.000 2.903 53 T HA 0.791 5.140 4.350 -0.002 0.000 0.299 53 T C -1.330 173.465 174.700 0.158 0.000 1.093 53 T CA -0.873 61.293 62.100 0.111 0.000 1.002 53 T CB 1.781 70.722 68.868 0.122 0.000 1.127 53 T HN 0.857 nan 8.240 nan 0.000 0.488 54 L N 1.214 122.445 121.223 0.012 0.000 2.362 54 L HA 0.900 5.238 4.340 -0.002 0.000 0.271 54 L C -0.287 176.568 176.870 -0.025 0.000 1.002 54 L CA -1.225 53.614 54.840 -0.002 0.000 0.818 54 L CB 1.970 43.965 42.059 -0.107 0.000 1.298 54 L HN 1.122 nan 8.230 nan 0.000 0.420 55 A N 1.635 124.460 122.820 0.009 0.000 2.566 55 A HA 0.478 4.797 4.320 -0.002 0.000 0.297 55 A C -0.292 177.310 177.584 0.031 0.000 1.059 55 A CA -0.619 51.423 52.037 0.008 0.000 0.691 55 A CB 1.004 20.013 19.000 0.015 0.000 1.282 55 A HN 0.905 nan 8.150 nan 0.000 0.401 56 N N 0.776 119.494 118.700 0.030 0.000 2.727 56 N HA -0.198 4.541 4.740 -0.002 0.000 0.249 56 N C 0.961 176.509 175.510 0.064 0.000 1.048 56 N CA 1.669 54.748 53.050 0.048 0.000 0.714 56 N CB -0.730 37.792 38.487 0.057 0.000 0.959 56 N HN 2.357 nan 8.380 nan 0.000 0.544 57 G N -2.100 106.734 108.800 0.057 0.000 2.155 57 G HA2 -0.094 3.864 3.960 -0.002 0.000 0.257 57 G HA3 -0.094 3.864 3.960 -0.002 0.000 0.257 57 G C 0.093 175.052 174.900 0.098 0.000 0.983 57 G CA 0.525 45.673 45.100 0.080 0.000 0.676 57 G HN 1.113 nan 8.290 nan 0.000 0.528 58 A N -1.047 121.820 122.820 0.078 0.000 2.594 58 A HA 0.799 5.118 4.320 -0.002 0.000 0.291 58 A C -0.008 177.616 177.584 0.065 0.000 1.105 58 A CA -0.651 51.432 52.037 0.077 0.000 0.694 58 A CB 1.004 20.048 19.000 0.074 0.000 1.291 58 A HN 0.760 nan 8.150 nan 0.000 0.410 59 I N 2.220 122.828 120.570 0.064 0.000 2.683 59 I HA 0.063 4.232 4.170 -0.002 0.000 0.286 59 I C 1.337 177.513 176.117 0.098 0.000 1.175 59 I CA 0.494 61.852 61.300 0.097 0.000 1.429 59 I CB 0.738 38.788 38.000 0.083 0.000 1.371 59 I HN 0.863 nan 8.210 nan 0.000 0.569 60 S N 4.856 120.630 115.700 0.123 0.000 4.213 60 S HA 0.301 4.770 4.470 -0.002 0.000 0.198 60 S C -0.056 174.628 174.600 0.140 0.000 0.970 60 S CA -0.746 57.519 58.200 0.108 0.000 1.707 60 S CB -0.189 63.069 63.200 0.098 0.000 0.685 60 S HN 0.519 nan 8.310 nan 0.000 0.736 61 E N 0.712 121.005 120.200 0.155 0.000 2.392 61 E HA 0.501 4.849 4.350 -0.002 0.000 0.264 61 E C -1.151 175.540 176.600 0.152 0.000 1.024 61 E CA -0.037 56.425 56.400 0.102 0.000 0.903 61 E CB 0.704 30.405 29.700 0.002 0.000 0.963 61 E HN 0.356 nan 8.360 nan 0.000 0.432 62 V N 3.537 123.492 119.914 0.068 0.000 2.656 62 V HA 0.373 4.492 4.120 -0.002 0.000 0.307 62 V C -1.055 175.055 176.094 0.027 0.000 1.051 62 V CA -0.855 61.597 62.300 0.254 0.000 0.893 62 V CB 0.890 32.951 31.823 0.396 0.000 0.999 62 V HN 0.571 nan 8.190 nan 0.000 0.426 63 Y N 3.663 124.114 120.300 0.252 0.000 2.446 63 Y HA 0.787 5.336 4.550 -0.002 0.000 0.338 63 Y C -0.567 175.460 175.900 0.211 0.000 1.055 63 Y CA -0.704 57.514 58.100 0.198 0.000 1.101 63 Y CB 2.031 40.564 38.460 0.122 0.000 1.221 63 Y HN 0.693 nan 8.280 nan 0.000 0.460 64 Y N 3.681 124.040 120.300 0.099 0.000 2.452 64 Y HA 0.249 4.798 4.550 -0.002 0.000 0.323 64 Y C -2.870 173.077 175.900 0.077 0.000 1.244 64 Y CA -1.791 56.303 58.100 -0.011 0.000 1.158 64 Y CB 2.109 40.175 38.460 -0.656 0.000 1.332 64 Y HN 0.299 nan 8.280 nan 0.000 0.456 65 P HA 0.129 nan 4.420 nan 0.000 0.267 65 P C -0.300 177.016 177.300 0.027 0.000 1.289 65 P CA 0.476 63.180 63.100 -0.661 0.000 0.866 65 P CB 0.670 31.796 31.700 -0.957 0.000 1.309 66 T N -3.634 110.944 114.554 0.040 0.000 2.924 66 T HA 0.410 4.759 4.350 -0.002 0.000 0.291 66 T C 0.811 175.311 174.700 -0.333 0.000 1.045 66 T CA -0.802 61.291 62.100 -0.012 0.000 1.015 66 T CB 1.481 70.319 68.868 -0.049 0.000 1.103 66 T HN -0.171 nan 8.240 nan 0.000 0.496 67 I N 1.053 121.110 120.570 -0.854 0.000 3.241 67 I HA -0.045 4.124 4.170 -0.002 0.000 0.280 67 I C 0.847 176.646 176.117 -0.531 0.000 1.320 67 I CA 1.124 61.659 61.300 -1.276 0.000 1.413 67 I CB -0.031 37.122 38.000 -1.412 0.000 1.060 67 I HN 0.782 nan 8.210 nan 0.000 0.500 68 D N -0.991 119.298 120.400 -0.185 0.000 2.501 68 D HA 0.044 4.683 4.640 -0.002 0.000 0.224 68 D C -0.058 176.264 176.300 0.038 0.000 1.202 68 D CA -0.051 53.945 54.000 -0.007 0.000 0.829 68 D CB -0.101 40.731 40.800 0.055 0.000 1.023 68 D HN -0.005 nan 8.370 nan 0.000 0.499 69 T N 0.874 115.500 114.554 0.120 0.000 3.155 69 T HA 0.621 4.970 4.350 -0.002 0.000 0.384 69 T C -0.041 174.701 174.700 0.071 0.000 1.351 69 T CA -0.544 61.606 62.100 0.083 0.000 1.198 69 T CB 0.872 69.772 68.868 0.053 0.000 1.106 69 T HN 0.305 nan 8.240 nan 0.000 0.564 70 A N 1.875 124.599 122.820 -0.161 0.000 2.388 70 A HA 0.518 4.837 4.320 -0.002 0.000 0.257 70 A C 0.598 178.169 177.584 -0.021 0.000 1.095 70 A CA -0.365 51.358 52.037 -0.522 0.000 0.791 70 A CB 0.335 18.868 19.000 -0.778 0.000 1.029 70 A HN 0.691 nan 8.150 nan 0.000 0.489 71 D N 0.636 121.085 120.400 0.083 0.000 2.514 71 D HA 0.212 4.851 4.640 -0.002 0.000 0.225 71 D C -0.512 175.958 176.300 0.283 0.000 1.159 71 D CA 0.532 54.698 54.000 0.277 0.000 0.823 71 D CB 0.967 42.031 40.800 0.440 0.000 1.097 71 D HN 0.238 nan 8.370 nan 0.000 0.519 72 V N 1.402 121.452 119.914 0.227 0.000 2.789 72 V HA 0.222 4.340 4.120 -0.002 0.000 0.311 72 V C 0.842 176.965 176.094 0.049 0.000 1.073 72 V CA -0.729 61.656 62.300 0.143 0.000 0.921 72 V CB 3.474 35.468 31.823 0.285 0.000 1.009 72 V HN -0.216 nan 8.190 nan 0.000 0.426 73 K N 1.823 122.066 120.400 -0.261 0.000 2.141 73 K HA 0.328 4.647 4.320 -0.002 0.000 0.202 73 K C 0.242 176.768 176.600 -0.125 0.000 1.045 73 K CA 1.000 57.074 56.287 -0.355 0.000 0.971 73 K CB 0.605 32.437 32.500 -1.113 0.000 0.795 73 K HN 0.840 nan 8.250 nan 0.000 0.459 74 E N -0.735 119.385 120.200 -0.133 0.000 2.429 74 E HA 0.393 4.742 4.350 -0.002 0.000 0.280 74 E C -1.256 175.358 176.600 0.024 0.000 1.068 74 E CA -0.605 55.778 56.400 -0.029 0.000 0.837 74 E CB 2.211 31.880 29.700 -0.051 0.000 1.357 74 E HN 0.013 nan 8.360 nan 0.000 0.455 75 I N 2.209 122.802 120.570 0.038 0.000 2.560 75 I HA 0.278 4.447 4.170 -0.002 0.000 0.283 75 I C -0.937 175.134 176.117 -0.075 0.000 1.115 75 I CA -0.561 60.752 61.300 0.022 0.000 1.066 75 I CB 1.388 39.406 38.000 0.030 0.000 1.221 75 I HN 0.410 nan 8.210 nan 0.000 0.450 76 K N 4.230 124.561 120.400 -0.116 0.000 2.480 76 K HA 0.692 5.011 4.320 -0.002 0.000 0.258 76 K C -1.682 174.813 176.600 -0.176 0.000 0.990 76 K CA -0.796 55.425 56.287 -0.110 0.000 0.857 76 K CB 2.339 34.853 32.500 0.023 0.000 1.384 76 K HN 0.080 nan 8.250 nan 0.000 0.446 77 F N 1.048 121.081 119.950 0.139 0.000 2.422 77 F HA 0.467 4.993 4.527 -0.002 0.000 0.333 77 F C -0.032 175.846 175.800 0.130 0.000 1.095 77 F CA -0.982 57.107 58.000 0.148 0.000 1.038 77 F CB 1.280 40.380 39.000 0.166 0.000 1.156 77 F HN 0.260 nan 8.300 nan 0.000 0.483 78 I N 3.602 124.391 120.570 0.366 0.000 2.498 78 I HA 0.422 4.590 4.170 -0.002 0.000 0.290 78 I C -0.738 175.531 176.117 0.253 0.000 1.032 78 I CA -0.852 60.600 61.300 0.254 0.000 1.073 78 I CB 1.391 39.509 38.000 0.196 0.000 1.251 78 I HN 0.288 nan 8.210 nan 0.000 0.426 79 V N 5.759 125.747 119.914 0.124 0.000 2.769 79 V HA 0.849 4.968 4.120 -0.002 0.000 0.312 79 V C -0.558 175.653 176.094 0.195 0.000 1.061 79 V CA 0.091 62.426 62.300 0.059 0.000 0.931 79 V CB 2.290 33.941 31.823 -0.288 0.000 1.010 79 V HN 0.980 nan 8.190 nan 0.000 0.433 80 T N 2.127 116.801 114.554 0.201 0.000 2.787 80 T HA 0.416 4.765 4.350 -0.002 0.000 0.297 80 T C -0.645 174.008 174.700 -0.079 0.000 1.221 80 T CA 0.260 62.372 62.100 0.019 0.000 1.006 80 T CB 1.819 70.676 68.868 -0.017 0.000 1.328 80 T HN 0.926 nan 8.240 nan 0.000 0.509 81 D N -0.487 119.578 120.400 -0.559 0.000 2.398 81 D HA 0.261 4.900 4.640 -0.002 0.000 0.210 81 D C 1.412 177.557 176.300 -0.258 0.000 1.094 81 D CA 0.763 54.516 54.000 -0.411 0.000 0.839 81 D CB -0.272 40.152 40.800 -0.628 0.000 0.963 81 D HN 1.114 nan 8.370 nan 0.000 0.506 82 G N 0.759 109.439 108.800 -0.199 0.000 2.168 82 G HA2 -0.395 3.564 3.960 -0.002 0.000 0.263 82 G HA3 -0.395 3.564 3.960 -0.002 0.000 0.263 82 G C 0.976 175.801 174.900 -0.125 0.000 0.977 82 G CA 0.965 45.999 45.100 -0.110 0.000 0.659 82 G HN 0.502 nan 8.290 nan 0.000 0.533 83 K N -0.927 119.363 120.400 -0.183 0.000 2.418 83 K HA 0.301 4.620 4.320 -0.002 0.000 0.208 83 K C 2.335 178.868 176.600 -0.112 0.000 1.261 83 K CA 0.963 57.175 56.287 -0.125 0.000 0.874 83 K CB 0.185 32.624 32.500 -0.102 0.000 1.451 83 K HN 0.451 nan 8.250 nan 0.000 0.466 84 S N 0.716 116.318 115.700 -0.163 0.000 3.829 84 S HA 0.170 4.639 4.470 -0.002 0.000 0.201 84 S C 0.508 175.088 174.600 -0.033 0.000 1.005 84 S CA -0.633 57.533 58.200 -0.056 0.000 0.935 84 S CB -0.699 62.533 63.200 0.053 0.000 1.181 84 S HN 0.202 nan 8.310 nan 0.000 0.622 85 F N 2.723 122.721 119.950 0.079 0.000 2.506 85 F HA 0.725 5.251 4.527 -0.002 0.000 0.351 85 F C -0.549 175.316 175.800 0.107 0.000 1.136 85 F CA -1.206 56.853 58.000 0.099 0.000 1.298 85 F CB 0.432 39.512 39.000 0.133 0.000 1.145 85 F HN 0.060 nan 8.300 nan 0.000 0.593 86 V N 4.464 124.580 119.914 0.336 0.000 2.516 86 V HA 0.302 4.421 4.120 -0.002 0.000 0.271 86 V C -2.364 173.891 176.094 0.268 0.000 0.992 86 V CA -1.100 61.338 62.300 0.230 0.000 0.857 86 V CB 1.060 32.934 31.823 0.085 0.000 1.047 86 V HN 0.782 nan 8.190 nan 0.000 0.455 87 P HA 0.382 nan 4.420 nan 0.000 0.294 87 P C -1.238 176.206 177.300 0.240 0.000 1.294 87 P CA -0.155 63.121 63.100 0.295 0.000 0.827 87 P CB 2.070 34.013 31.700 0.404 0.000 0.992 88 D N 2.207 122.730 120.400 0.205 0.000 2.317 88 D HA 0.014 4.653 4.640 -0.002 0.000 0.234 88 D C 1.315 177.744 176.300 0.215 0.000 1.112 88 D CA -0.373 53.738 54.000 0.185 0.000 0.840 88 D CB 0.975 41.860 40.800 0.142 0.000 1.078 88 D HN 0.476 nan 8.370 nan 0.000 0.486 89 E N 1.567 121.920 120.200 0.254 0.000 2.171 89 E HA -0.283 4.066 4.350 -0.002 0.000 0.197 89 E C 1.129 177.845 176.600 0.193 0.000 0.997 89 E CA 1.704 58.272 56.400 0.280 0.000 0.810 89 E CB -0.451 29.445 29.700 0.326 0.000 0.738 89 E HN 0.487 nan 8.360 nan 0.000 0.467 90 T N -1.052 113.597 114.554 0.157 0.000 3.113 90 T HA -0.031 4.318 4.350 -0.002 0.000 0.263 90 T C 1.486 176.248 174.700 0.102 0.000 1.143 90 T CA 1.105 63.276 62.100 0.117 0.000 1.090 90 T CB -0.064 68.863 68.868 0.097 0.000 0.922 90 T HN 0.457 nan 8.240 nan 0.000 0.521 91 K N -0.738 119.729 120.400 0.112 0.000 2.590 91 K HA 0.178 4.496 4.320 -0.002 0.000 0.218 91 K C -0.032 176.623 176.600 0.091 0.000 1.536 91 K CA -0.099 56.243 56.287 0.093 0.000 1.013 91 K CB 0.559 33.114 32.500 0.090 0.000 1.265 91 K HN 0.125 nan 8.250 nan 0.000 0.603 92 D N 1.687 122.159 120.400 0.120 0.000 2.440 92 D HA 0.273 4.912 4.640 -0.002 0.000 0.216 92 D C -0.247 176.103 176.300 0.084 0.000 1.150 92 D CA 0.074 54.141 54.000 0.112 0.000 0.832 92 D CB 1.392 42.289 40.800 0.162 0.000 0.992 92 D HN 0.321 nan 8.370 nan 0.000 0.502 93 A N 0.509 123.375 122.820 0.076 0.000 2.539 93 A HA 0.576 4.895 4.320 -0.002 0.000 0.296 93 A C -0.972 176.619 177.584 0.013 0.000 1.073 93 A CA -0.599 51.447 52.037 0.015 0.000 0.700 93 A CB 1.679 20.718 19.000 0.066 0.000 1.296 93 A HN -0.051 nan 8.150 nan 0.000 0.405 94 I N 1.622 122.178 120.570 -0.024 0.000 2.342 94 I HA 0.401 4.570 4.170 -0.002 0.000 0.291 94 I C 0.687 176.805 176.117 0.002 0.000 1.010 94 I CA 0.108 61.402 61.300 -0.011 0.000 1.308 94 I CB 1.026 39.009 38.000 -0.029 0.000 1.400 94 I HN 0.546 nan 8.210 nan 0.000 0.488 95 S N 6.862 122.574 115.700 0.021 0.000 2.475 95 S HA 0.536 5.005 4.470 -0.002 0.000 0.298 95 S C -0.491 174.125 174.600 0.027 0.000 1.119 95 S CA -0.717 57.503 58.200 0.033 0.000 1.085 95 S CB 0.776 64.005 63.200 0.049 0.000 1.028 95 S HN 0.382 nan 8.310 nan 0.000 0.489 96 K N 3.100 123.519 120.400 0.032 0.000 2.376 96 K HA 0.501 4.820 4.320 -0.002 0.000 0.257 96 K C -1.052 175.581 176.600 0.055 0.000 0.939 96 K CA -0.586 55.721 56.287 0.034 0.000 0.809 96 K CB 1.684 34.199 32.500 0.025 0.000 1.121 96 K HN 0.444 nan 8.250 nan 0.000 0.425 97 V N 2.345 122.295 119.914 0.061 0.000 2.769 97 V HA 0.592 4.711 4.120 -0.002 0.000 0.312 97 V C -1.036 175.125 176.094 0.111 0.000 1.058 97 V CA -0.346 62.012 62.300 0.096 0.000 0.952 97 V CB 1.695 33.568 31.823 0.084 0.000 1.019 97 V HN 0.939 nan 8.190 nan 0.000 0.445 98 E N 4.118 124.409 120.200 0.152 0.000 2.388 98 E HA 0.495 4.844 4.350 -0.002 0.000 0.280 98 E C -1.841 174.814 176.600 0.093 0.000 1.019 98 E CA -1.095 55.373 56.400 0.114 0.000 0.806 98 E CB 1.767 31.521 29.700 0.089 0.000 1.246 98 E HN 0.529 nan 8.360 nan 0.000 0.443 99 K N 1.255 121.641 120.400 -0.024 0.000 2.087 99 K HA 0.337 4.656 4.320 -0.002 0.000 0.255 99 K C 0.425 177.015 176.600 -0.016 0.000 0.988 99 K CA -0.629 55.516 56.287 -0.237 0.000 0.915 99 K CB 0.829 33.110 32.500 -0.365 0.000 1.043 99 K HN 0.468 nan 8.250 nan 0.000 0.457 100 F N 0.729 120.616 119.950 -0.106 0.000 2.091 100 F HA -0.230 4.296 4.527 -0.002 0.000 0.299 100 F C 1.630 177.396 175.800 -0.057 0.000 1.103 100 F CA 0.781 58.745 58.000 -0.059 0.000 1.228 100 F CB 0.033 38.995 39.000 -0.063 0.000 0.984 100 F HN 0.609 nan 8.300 nan 0.000 0.477 101 T N -4.526 110.093 114.554 0.109 0.000 2.792 101 T HA 0.193 4.542 4.350 -0.002 0.000 0.303 101 T C -0.217 174.464 174.700 -0.033 0.000 1.310 101 T CA -0.861 61.258 62.100 0.032 0.000 1.007 101 T CB 1.693 70.577 68.868 0.027 0.000 1.335 101 T HN -0.231 nan 8.240 nan 0.000 0.504 102 D N 0.211 120.588 120.400 -0.038 0.000 2.371 102 D HA 0.096 4.735 4.640 -0.002 0.000 0.221 102 D C 0.722 176.966 176.300 -0.092 0.000 0.986 102 D CA 0.843 54.814 54.000 -0.048 0.000 0.899 102 D CB 0.124 40.917 40.800 -0.012 0.000 0.902 102 D HN 0.515 nan 8.370 nan 0.000 0.530 103 K N -0.118 120.217 120.400 -0.109 0.000 2.896 103 K HA 0.202 4.521 4.320 -0.002 0.000 0.210 103 K C -0.523 176.061 176.600 -0.028 0.000 1.116 103 K CA -0.192 56.024 56.287 -0.117 0.000 1.050 103 K CB 0.875 33.264 32.500 -0.186 0.000 0.812 103 K HN -0.039 nan 8.250 nan 0.000 0.462 104 S N -0.943 114.692 115.700 -0.108 0.000 2.535 104 S HA 0.359 4.827 4.470 -0.002 0.000 0.272 104 S C -0.319 174.027 174.600 -0.423 0.000 1.149 104 S CA -0.943 57.172 58.200 -0.142 0.000 0.888 104 S CB 0.939 64.201 63.200 0.103 0.000 1.110 104 S HN 0.153 nan 8.310 nan 0.000 0.463 105 L N 2.197 123.000 121.223 -0.700 0.000 2.998 105 L HA 0.424 4.763 4.340 -0.002 0.000 0.234 105 L C 0.881 177.603 176.870 -0.247 0.000 1.350 105 L CA -0.296 54.166 54.840 -0.629 0.000 1.202 105 L CB -0.439 41.192 42.059 -0.714 0.000 1.583 105 L HN 0.930 nan 8.230 nan 0.000 0.456 106 G N -0.683 107.818 108.800 -0.500 0.000 2.388 106 G HA2 0.570 4.529 3.960 -0.002 0.000 0.330 106 G HA3 0.570 4.529 3.960 -0.002 0.000 0.330 106 G C -1.526 172.392 174.900 -1.636 0.000 1.142 106 G CA -0.204 44.344 45.100 -0.919 0.000 0.908 106 G HN 0.059 nan 8.290 nan 0.000 0.473 107 Y N -0.119 119.551 120.300 -1.051 0.000 2.499 107 Y HA 0.564 5.112 4.550 -0.002 0.000 0.347 107 Y C 0.274 176.106 175.900 -0.114 0.000 0.987 107 Y CA -0.976 56.837 58.100 -0.479 0.000 1.044 107 Y CB 2.898 41.298 38.460 -0.099 0.000 1.245 107 Y HN 0.449 nan 8.280 nan 0.000 0.461 108 K N 3.435 123.986 120.400 0.252 0.000 2.323 108 K HA 0.671 4.990 4.320 -0.002 0.000 0.259 108 K C -1.971 174.753 176.600 0.205 0.000 0.947 108 K CA -0.408 56.064 56.287 0.308 0.000 0.819 108 K CB 0.935 33.627 32.500 0.318 0.000 1.109 108 K HN 0.742 nan 8.250 nan 0.000 0.429 109 L N 3.983 125.308 121.223 0.170 0.000 2.346 109 L HA 0.536 4.875 4.340 -0.002 0.000 0.276 109 L C -0.968 175.960 176.870 0.098 0.000 1.006 109 L CA -1.244 53.670 54.840 0.124 0.000 0.817 109 L CB 2.176 44.306 42.059 0.117 0.000 1.272 109 L HN 0.340 nan 8.230 nan 0.000 0.421 110 V N 2.545 122.502 119.914 0.072 0.000 2.409 110 V HA 0.387 4.506 4.120 -0.002 0.000 0.290 110 V C -0.736 175.379 176.094 0.035 0.000 1.017 110 V CA -0.762 61.564 62.300 0.044 0.000 0.841 110 V CB 1.589 33.427 31.823 0.025 0.000 1.003 110 V HN 0.655 nan 8.190 nan 0.000 0.426 111 N N 2.798 121.524 118.700 0.043 0.000 2.446 111 N HA 0.458 5.197 4.740 -0.002 0.000 0.265 111 N C -0.336 175.155 175.510 -0.031 0.000 0.975 111 N CA -0.329 52.747 53.050 0.043 0.000 0.928 111 N CB 2.000 40.562 38.487 0.125 0.000 1.160 111 N HN 0.537 nan 8.380 nan 0.000 0.495 112 T N 0.521 115.018 114.554 -0.095 0.000 2.758 112 T HA 0.086 4.435 4.350 -0.002 0.000 0.285 112 T C -0.041 174.469 174.700 -0.316 0.000 0.981 112 T CA -0.553 61.419 62.100 -0.214 0.000 0.965 112 T CB 1.102 69.878 68.868 -0.154 0.000 0.927 112 T HN 0.327 nan 8.240 nan 0.000 0.448 113 D N 2.381 122.382 120.400 -0.665 0.000 2.583 113 D HA -0.048 4.591 4.640 -0.002 0.000 0.232 113 D C 1.152 177.248 176.300 -0.340 0.000 1.128 113 D CA 0.511 54.065 54.000 -0.743 0.000 0.859 113 D CB 0.776 40.802 40.800 -1.290 0.000 1.169 113 D HN 0.396 nan 8.370 nan 0.000 0.481 114 K N 2.346 122.629 120.400 -0.195 0.000 2.209 114 K HA -0.131 4.188 4.320 -0.002 0.000 0.204 114 K C 1.223 177.750 176.600 -0.122 0.000 1.048 114 K CA 1.009 57.225 56.287 -0.117 0.000 0.940 114 K CB 0.108 32.574 32.500 -0.057 0.000 0.729 114 K HN 0.416 nan 8.250 nan 0.000 0.451 115 K N -0.289 120.020 120.400 -0.153 0.000 2.417 115 K HA 0.068 4.386 4.320 -0.002 0.000 0.196 115 K C 0.559 177.066 176.600 -0.155 0.000 1.023 115 K CA 0.347 56.552 56.287 -0.137 0.000 1.122 115 K CB 0.745 33.156 32.500 -0.148 0.000 0.850 115 K HN 0.261 nan 8.250 nan 0.000 0.521 116 G N 2.262 110.940 108.800 -0.202 0.000 2.249 116 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.273 116 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.273 116 G C 0.637 175.433 174.900 -0.174 0.000 1.036 116 G CA 0.591 45.578 45.100 -0.190 0.000 0.824 116 G HN 0.392 nan 8.290 nan 0.000 0.504 117 R N -1.402 118.965 120.500 -0.221 0.000 2.175 117 R HA 0.316 4.654 4.340 -0.002 0.000 0.202 117 R C 1.035 177.237 176.300 -0.164 0.000 1.018 117 R CA 1.346 57.391 56.100 -0.092 0.000 1.029 117 R CB 0.261 30.556 30.300 -0.009 0.000 0.959 117 R HN 0.794 nan 8.270 nan 0.000 0.480 118 Y N -1.608 118.516 120.300 -0.294 0.000 2.644 118 Y HA 0.625 5.174 4.550 -0.002 0.000 0.338 118 Y C -1.131 174.550 175.900 -0.366 0.000 1.119 118 Y CA -1.762 56.052 58.100 -0.476 0.000 1.060 118 Y CB 1.292 39.439 38.460 -0.522 0.000 1.294 118 Y HN -0.319 nan 8.280 nan 0.000 0.472 119 R N 2.250 122.557 120.500 -0.321 0.000 2.548 119 R HA 0.651 4.990 4.340 -0.002 0.000 0.280 119 R C -2.322 173.882 176.300 -0.160 0.000 1.061 119 R CA -0.596 55.374 56.100 -0.216 0.000 0.915 119 R CB 1.664 31.835 30.300 -0.214 0.000 1.210 119 R HN 0.948 nan 8.270 nan 0.000 0.442 120 I N 3.109 123.679 120.570 -0.001 0.000 2.406 120 I HA 0.324 4.493 4.170 -0.002 0.000 0.290 120 I C -0.442 175.685 176.117 0.016 0.000 0.999 120 I CA -0.764 60.543 61.300 0.013 0.000 1.124 120 I CB 2.486 40.555 38.000 0.116 0.000 1.289 120 I HN 0.524 nan 8.210 nan 0.000 0.441 121 T N 5.945 120.489 114.554 -0.017 0.000 2.807 121 T HA 0.497 4.846 4.350 -0.002 0.000 0.279 121 T C -0.492 174.219 174.700 0.018 0.000 0.993 121 T CA -0.837 61.269 62.100 0.010 0.000 0.970 121 T CB 1.493 70.355 68.868 -0.011 0.000 0.950 121 T HN 0.439 nan 8.240 nan 0.000 0.441 122 K N 2.018 122.466 120.400 0.080 0.000 2.375 122 K HA 0.636 4.955 4.320 -0.002 0.000 0.249 122 K C -1.513 175.198 176.600 0.184 0.000 0.942 122 K CA -1.068 55.283 56.287 0.105 0.000 0.806 122 K CB 1.722 34.307 32.500 0.141 0.000 1.227 122 K HN 0.367 nan 8.250 nan 0.000 0.430 123 D N 1.867 122.403 120.400 0.227 0.000 2.549 123 D HA 0.443 5.082 4.640 -0.002 0.000 0.251 123 D C -0.980 175.574 176.300 0.423 0.000 1.153 123 D CA -0.270 54.007 54.000 0.461 0.000 0.861 123 D CB 1.166 42.253 40.800 0.479 0.000 1.207 123 D HN 0.296 nan 8.370 nan 0.000 0.543 124 I N 3.643 124.453 120.570 0.400 0.000 2.498 124 I HA 0.631 4.800 4.170 -0.002 0.000 0.290 124 I C -0.704 175.402 176.117 -0.018 0.000 1.032 124 I CA -0.981 60.339 61.300 0.034 0.000 1.073 124 I CB 1.051 38.965 38.000 -0.143 0.000 1.251 124 I HN 0.338 nan 8.210 nan 0.000 0.426 125 F N 2.200 121.871 119.950 -0.466 0.000 3.194 125 F HA 0.660 5.186 4.527 -0.002 0.000 0.327 125 F C -0.953 174.573 175.800 -0.458 0.000 1.141 125 F CA -0.892 56.707 58.000 -0.668 0.000 0.862 125 F CB 1.013 39.514 39.000 -0.830 0.000 1.447 125 F HN 0.393 nan 8.300 nan 0.000 0.479 126 T N -1.712 112.732 114.554 -0.184 0.000 2.942 126 T HA 0.414 4.763 4.350 -0.002 0.000 0.289 126 T C -1.292 173.549 174.700 0.236 0.000 1.044 126 T CA -0.660 61.464 62.100 0.039 0.000 1.023 126 T CB 1.789 70.826 68.868 0.281 0.000 1.123 126 T HN 0.815 nan 8.240 nan 0.000 0.512 127 D N 1.483 121.961 120.400 0.129 0.000 2.338 127 D HA 0.092 4.731 4.640 -0.002 0.000 0.255 127 D C 1.762 178.167 176.300 0.175 0.000 1.237 127 D CA -0.512 53.584 54.000 0.159 0.000 0.883 127 D CB 1.186 42.032 40.800 0.078 0.000 1.087 127 D HN 0.512 nan 8.370 nan 0.000 0.485 128 V N 2.756 122.791 119.914 0.202 0.000 2.568 128 V HA -0.184 3.935 4.120 -0.002 0.000 0.253 128 V C 1.751 177.870 176.094 0.042 0.000 1.072 128 V CA 1.275 63.637 62.300 0.103 0.000 1.084 128 V CB -0.530 31.328 31.823 0.057 0.000 0.676 128 V HN 0.392 nan 8.190 nan 0.000 0.469 129 K N 0.667 121.101 120.400 0.055 0.000 2.323 129 K HA 0.208 4.527 4.320 -0.002 0.000 0.197 129 K C 0.863 177.490 176.600 0.046 0.000 1.043 129 K CA 0.472 56.782 56.287 0.038 0.000 0.997 129 K CB 0.233 32.755 32.500 0.037 0.000 0.807 129 K HN 0.753 nan 8.250 nan 0.000 0.497 130 R N -0.706 119.830 120.500 0.060 0.000 2.795 130 R HA 0.295 4.634 4.340 -0.002 0.000 0.268 130 R C -1.090 175.265 176.300 0.091 0.000 1.041 130 R CA -0.952 55.191 56.100 0.071 0.000 0.927 130 R CB 0.234 30.570 30.300 0.061 0.000 1.235 130 R HN -0.244 nan 8.270 nan 0.000 0.463 131 N N 1.419 120.190 118.700 0.119 0.000 2.971 131 N HA 0.060 4.798 4.740 -0.002 0.000 0.294 131 N C -0.984 174.643 175.510 0.194 0.000 1.210 131 N CA 0.216 53.364 53.050 0.163 0.000 1.157 131 N CB 0.420 39.032 38.487 0.208 0.000 1.450 131 N HN 0.603 nan 8.380 nan 0.000 0.527 132 S N -0.068 115.724 115.700 0.152 0.000 2.540 132 S HA 0.523 4.992 4.470 -0.002 0.000 0.275 132 S C -0.902 173.743 174.600 0.074 0.000 1.123 132 S CA -1.027 57.245 58.200 0.120 0.000 0.907 132 S CB 2.007 65.222 63.200 0.025 0.000 1.081 132 S HN 0.178 nan 8.310 nan 0.000 0.476 133 L N 2.995 124.255 121.223 0.063 0.000 2.309 133 L HA 0.731 5.070 4.340 -0.002 0.000 0.282 133 L C -1.211 175.537 176.870 -0.203 0.000 1.036 133 L CA -0.655 54.152 54.840 -0.056 0.000 0.806 133 L CB 0.786 42.874 42.059 0.048 0.000 1.220 133 L HN 0.825 nan 8.230 nan 0.000 0.429 134 I N 5.772 126.093 120.570 -0.415 0.000 2.474 134 I HA 0.491 4.660 4.170 -0.002 0.000 0.294 134 I C -0.482 175.399 176.117 -0.393 0.000 1.005 134 I CA -0.425 60.607 61.300 -0.447 0.000 1.113 134 I CB 1.863 39.419 38.000 -0.740 0.000 1.289 134 I HN 0.648 nan 8.210 nan 0.000 0.436 135 M N 7.004 126.494 119.600 -0.184 0.000 2.124 135 M HA 0.382 4.861 4.480 -0.002 0.000 0.280 135 M C -1.361 174.908 176.300 -0.051 0.000 0.954 135 M CA -0.613 54.638 55.300 -0.082 0.000 0.958 135 M CB 1.313 33.887 32.600 -0.043 0.000 1.611 135 M HN 0.513 nan 8.290 nan 0.000 0.449 136 K N 3.702 124.089 120.400 -0.021 0.000 2.201 136 K HA 0.805 5.124 4.320 -0.002 0.000 0.278 136 K C -1.405 175.064 176.600 -0.219 0.000 1.027 136 K CA -0.187 55.985 56.287 -0.191 0.000 0.909 136 K CB 1.304 33.617 32.500 -0.312 0.000 1.062 136 K HN 0.755 nan 8.250 nan 0.000 0.465 137 A N 3.844 126.368 122.820 -0.493 0.000 2.475 137 A HA 0.579 4.898 4.320 -0.002 0.000 0.301 137 A C -1.692 175.488 177.584 -0.673 0.000 1.059 137 A CA -0.980 50.742 52.037 -0.525 0.000 0.710 137 A CB 1.243 19.946 19.000 -0.495 0.000 1.288 137 A HN 0.810 nan 8.150 nan 0.000 0.408 138 K N 0.658 120.859 120.400 -0.332 0.000 2.468 138 K HA 0.707 5.026 4.320 -0.002 0.000 0.252 138 K C -1.774 174.807 176.600 -0.033 0.000 0.932 138 K CA -0.461 55.735 56.287 -0.152 0.000 0.794 138 K CB 1.961 34.401 32.500 -0.101 0.000 1.241 138 K HN 0.507 nan 8.250 nan 0.000 0.428 139 F N 1.967 121.877 119.950 -0.067 0.000 2.443 139 F HA 0.397 4.923 4.527 -0.002 0.000 0.335 139 F C -0.882 174.901 175.800 -0.029 0.000 1.104 139 F CA -0.245 57.717 58.000 -0.063 0.000 1.013 139 F CB 1.686 40.646 39.000 -0.068 0.000 1.136 139 F HN 0.646 nan 8.300 nan 0.000 0.470 140 E N 4.279 124.010 120.200 -0.782 0.000 2.256 140 E HA 0.551 4.900 4.350 -0.002 0.000 0.268 140 E C -1.288 174.911 176.600 -0.668 0.000 0.877 140 E CA -1.233 54.880 56.400 -0.478 0.000 0.757 140 E CB 1.900 31.439 29.700 -0.268 0.000 1.183 140 E HN 0.697 nan 8.360 nan 0.000 0.418 141 A N 4.102 126.771 122.820 -0.251 0.000 2.310 141 A HA 0.252 4.571 4.320 -0.002 0.000 0.300 141 A C 0.781 178.341 177.584 -0.041 0.000 1.269 141 A CA -0.280 51.708 52.037 -0.081 0.000 0.909 141 A CB -0.033 19.164 19.000 0.327 0.000 1.144 141 A HN 0.769 nan 8.150 nan 0.000 0.540 142 L N 1.441 122.607 121.223 -0.095 0.000 2.131 142 L HA 0.035 4.374 4.340 -0.002 0.000 0.206 142 L C 1.245 178.131 176.870 0.025 0.000 1.087 142 L CA 1.075 55.880 54.840 -0.058 0.000 0.767 142 L CB -0.100 41.890 42.059 -0.116 0.000 0.917 142 L HN 0.913 nan 8.230 nan 0.000 0.441 143 E N -0.377 119.884 120.200 0.101 0.000 2.266 143 E HA 0.526 4.875 4.350 -0.002 0.000 0.268 143 E C 0.078 176.834 176.600 0.259 0.000 0.879 143 E CA -0.179 56.307 56.400 0.144 0.000 0.762 143 E CB 2.191 31.961 29.700 0.117 0.000 1.199 143 E HN 0.118 nan 8.360 nan 0.000 0.422 144 G N 1.729 110.638 108.800 0.182 0.000 2.593 144 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.237 144 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.237 144 G C -0.347 174.680 174.900 0.211 0.000 1.312 144 G CA -0.133 45.071 45.100 0.174 0.000 0.896 144 G HN 0.926 nan 8.290 nan 0.000 0.574 145 S N -1.518 114.301 115.700 0.198 0.000 2.621 145 S HA 0.628 5.097 4.470 -0.002 0.000 0.302 145 S C 1.576 176.395 174.600 0.366 0.000 1.093 145 S CA 0.293 58.639 58.200 0.242 0.000 1.017 145 S CB 1.523 64.828 63.200 0.175 0.000 1.077 145 S HN 1.383 nan 8.310 nan 0.000 0.517 146 I N 2.179 122.987 120.570 0.397 0.000 2.286 146 I HA -0.148 4.021 4.170 -0.002 0.000 0.248 146 I C 1.288 177.547 176.117 0.237 0.000 1.115 146 I CA 1.668 63.224 61.300 0.426 0.000 1.392 146 I CB -0.156 37.995 38.000 0.252 0.000 1.065 146 I HN 0.829 nan 8.210 nan 0.000 0.418 147 H N 0.578 119.717 119.070 0.113 0.000 2.561 147 H HA -0.061 4.494 4.556 -0.002 0.000 0.278 147 H C 1.163 176.469 175.328 -0.037 0.000 1.014 147 H CA 0.951 57.014 56.048 0.025 0.000 1.211 147 H CB -0.304 29.462 29.762 0.007 0.000 1.365 147 H HN 0.405 nan 8.280 nan 0.000 0.594 148 D N -0.562 119.841 120.400 0.006 0.000 2.339 148 D HA -0.010 4.629 4.640 -0.002 0.000 0.217 148 D C -0.374 175.656 176.300 -0.449 0.000 1.050 148 D CA 0.404 54.255 54.000 -0.248 0.000 0.856 148 D CB 0.366 40.944 40.800 -0.372 0.000 0.922 148 D HN 0.333 nan 8.370 nan 0.000 0.518 149 Y N 0.232 120.562 120.300 0.049 0.000 2.562 149 Y HA 0.464 5.013 4.550 -0.002 0.000 0.343 149 Y C 0.149 175.924 175.900 -0.209 0.000 1.025 149 Y CA -0.984 57.098 58.100 -0.029 0.000 1.082 149 Y CB 1.343 39.835 38.460 0.053 0.000 1.264 149 Y HN -0.460 nan 8.280 nan 0.000 0.478 150 K N 1.574 121.936 120.400 -0.064 0.000 2.378 150 K HA 0.609 4.928 4.320 -0.002 0.000 0.252 150 K C -1.920 174.420 176.600 -0.435 0.000 0.931 150 K CA -0.549 55.572 56.287 -0.276 0.000 0.794 150 K CB 2.131 34.579 32.500 -0.088 0.000 1.181 150 K HN 0.470 nan 8.250 nan 0.000 0.425 151 L N 3.476 124.276 121.223 -0.704 0.000 2.356 151 L HA 0.570 4.909 4.340 -0.002 0.000 0.277 151 L C -1.803 174.723 176.870 -0.573 0.000 0.996 151 L CA -0.317 54.199 54.840 -0.541 0.000 0.822 151 L CB 0.725 42.435 42.059 -0.581 0.000 1.256 151 L HN 0.561 nan 8.230 nan 0.000 0.413 152 Y N 4.664 125.017 120.300 0.088 0.000 2.485 152 Y HA 0.672 5.220 4.550 -0.002 0.000 0.345 152 Y C -0.720 175.338 175.900 0.264 0.000 0.998 152 Y CA -0.975 57.206 58.100 0.135 0.000 1.059 152 Y CB 1.916 40.407 38.460 0.052 0.000 1.234 152 Y HN 0.516 nan 8.280 nan 0.000 0.461 153 L N 2.517 123.925 121.223 0.309 0.000 2.322 153 L HA 0.912 5.251 4.340 -0.002 0.000 0.281 153 L C -0.786 176.099 176.870 0.024 0.000 1.014 153 L CA -0.711 54.183 54.840 0.089 0.000 0.815 153 L CB 1.276 43.380 42.059 0.076 0.000 1.247 153 L HN 0.722 nan 8.230 nan 0.000 0.421 154 A N 4.562 127.370 122.820 -0.020 0.000 2.310 154 A HA 0.497 4.816 4.320 -0.002 0.000 0.304 154 A C -1.795 175.796 177.584 0.012 0.000 1.231 154 A CA -0.418 51.618 52.037 -0.002 0.000 0.799 154 A CB 0.330 19.338 19.000 0.013 0.000 1.162 154 A HN 0.644 nan 8.150 nan 0.000 0.486 155 Y N 2.400 122.621 120.300 -0.131 0.000 2.328 155 Y HA 0.548 5.097 4.550 -0.002 0.000 0.337 155 Y C -0.766 175.063 175.900 -0.119 0.000 1.008 155 Y CA -1.202 56.820 58.100 -0.131 0.000 1.129 155 Y CB 1.404 39.774 38.460 -0.150 0.000 1.185 155 Y HN 0.587 nan 8.280 nan 0.000 0.476 156 D N 9.321 129.410 120.400 -0.517 0.000 2.477 156 D HA 0.296 4.935 4.640 -0.002 0.000 0.239 156 D C -3.015 172.861 176.300 -0.706 0.000 1.102 156 D CA -2.319 51.343 54.000 -0.563 0.000 0.901 156 D CB 1.305 41.868 40.800 -0.395 0.000 1.026 156 D HN 0.303 nan 8.370 nan 0.000 0.515 157 P HA 0.153 nan 4.420 nan 0.000 0.281 157 P C -0.520 176.778 177.300 -0.004 0.000 1.252 157 P CA -0.137 62.689 63.100 -0.458 0.000 0.778 157 P CB 0.695 32.137 31.700 -0.430 0.000 0.895 158 H N 2.955 121.943 119.070 -0.137 0.000 2.535 158 H HA 0.305 4.860 4.556 -0.002 0.000 0.232 158 H C 0.372 175.750 175.328 0.084 0.000 1.405 158 H CA -0.715 55.275 56.048 -0.096 0.000 1.224 158 H CB 0.215 29.824 29.762 -0.255 0.000 1.763 158 H HN 0.307 nan 8.280 nan 0.000 0.529 159 I N 2.066 122.733 120.570 0.162 0.000 2.821 159 I HA -0.185 3.984 4.170 -0.002 0.000 0.294 159 I C 0.639 176.856 176.117 0.168 0.000 1.210 159 I CA 0.719 62.125 61.300 0.176 0.000 1.430 159 I CB 0.209 38.281 38.000 0.119 0.000 1.356 159 I HN 0.458 nan 8.210 nan 0.000 0.563 160 K N 5.143 125.653 120.400 0.184 0.000 3.244 160 K HA -0.242 4.077 4.320 -0.002 0.000 0.270 160 K C -0.006 176.692 176.600 0.164 0.000 1.016 160 K CA 0.778 57.152 56.287 0.144 0.000 0.754 160 K CB -1.425 31.140 32.500 0.107 0.000 1.326 160 K HN 0.909 nan 8.250 nan 0.000 0.465 161 N N -0.247 118.593 118.700 0.234 0.000 2.725 161 N HA -0.271 4.468 4.740 -0.002 0.000 0.249 161 N C -0.511 175.277 175.510 0.464 0.000 1.103 161 N CA 1.547 54.805 53.050 0.346 0.000 0.707 161 N CB -0.597 37.977 38.487 0.146 0.000 1.043 161 N HN 0.796 nan 8.380 nan 0.000 0.553 162 Q N -2.258 117.722 119.800 0.300 0.000 2.327 162 Q HA 0.534 4.873 4.340 -0.002 0.000 0.265 162 Q C 0.331 176.158 176.000 -0.289 0.000 0.993 162 Q CA -0.573 55.256 55.803 0.044 0.000 0.885 162 Q CB 1.374 30.145 28.738 0.054 0.000 1.379 162 Q HN 0.016 nan 8.270 nan 0.000 0.408 163 G N 1.518 109.845 108.800 -0.789 0.000 2.551 163 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.216 163 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.216 163 G C 0.522 175.143 174.900 -0.466 0.000 1.137 163 G CA 0.525 44.878 45.100 -1.246 0.000 0.798 163 G HN 0.760 nan 8.290 nan 0.000 0.536 164 S N -1.502 114.048 115.700 -0.251 0.000 2.603 164 S HA 0.293 4.762 4.470 -0.002 0.000 0.268 164 S C 0.321 174.966 174.600 0.075 0.000 1.317 164 S CA -0.493 57.671 58.200 -0.059 0.000 1.012 164 S CB 0.806 63.997 63.200 -0.015 0.000 0.926 164 S HN 0.787 nan 8.310 nan 0.000 0.539 165 Y N 0.683 120.956 120.300 -0.045 0.000 3.305 165 Y HA -0.236 4.313 4.550 -0.002 0.000 0.212 165 Y C -0.429 175.461 175.900 -0.017 0.000 1.248 165 Y CA 0.491 58.580 58.100 -0.017 0.000 1.359 165 Y CB -1.868 36.580 38.460 -0.019 0.000 1.407 165 Y HN 0.819 nan 8.280 nan 0.000 0.572 166 N N 2.130 120.791 118.700 -0.065 0.000 2.434 166 N HA 0.136 4.875 4.740 -0.002 0.000 0.272 166 N C -0.323 175.106 175.510 -0.135 0.000 1.040 166 N CA -0.425 52.574 53.050 -0.085 0.000 0.956 166 N CB 1.035 39.476 38.487 -0.076 0.000 1.108 166 N HN 0.460 nan 8.380 nan 0.000 0.481 167 E N 1.248 121.374 120.200 -0.123 0.000 2.167 167 E HA 0.380 4.729 4.350 -0.002 0.000 0.284 167 E C -0.496 176.130 176.600 0.043 0.000 1.016 167 E CA -0.748 55.607 56.400 -0.075 0.000 0.817 167 E CB 0.767 30.425 29.700 -0.070 0.000 1.080 167 E HN 0.619 nan 8.360 nan 0.000 0.397 168 G N 3.623 112.445 108.800 0.038 0.000 2.448 168 G HA2 0.592 4.551 3.960 -0.002 0.000 0.324 168 G HA3 0.592 4.551 3.960 -0.002 0.000 0.324 168 G C -1.501 173.487 174.900 0.147 0.000 1.203 168 G CA -0.500 44.607 45.100 0.011 0.000 0.954 168 G HN 0.593 nan 8.290 nan 0.000 0.480 169 Y N -1.664 118.563 120.300 -0.122 0.000 2.788 169 Y HA 0.711 5.259 4.550 -0.002 0.000 0.335 169 Y C -1.295 174.466 175.900 -0.232 0.000 1.287 169 Y CA -1.600 56.404 58.100 -0.160 0.000 1.068 169 Y CB 1.105 39.476 38.460 -0.149 0.000 1.340 169 Y HN 0.508 nan 8.280 nan 0.000 0.449 170 V N 2.772 122.549 119.914 -0.229 0.000 2.735 170 V HA 0.708 4.827 4.120 -0.002 0.000 0.310 170 V C -0.144 175.575 176.094 -0.624 0.000 1.061 170 V CA -0.611 61.406 62.300 -0.472 0.000 0.913 170 V CB 1.478 32.926 31.823 -0.626 0.000 1.005 170 V HN 0.874 nan 8.190 nan 0.000 0.428 171 I N 0.463 120.783 120.570 -0.417 0.000 3.457 171 I HA 0.779 4.948 4.170 -0.002 0.000 0.307 171 I C -0.916 175.194 176.117 -0.012 0.000 1.138 171 I CA -1.167 59.957 61.300 -0.294 0.000 0.974 171 I CB 2.512 40.459 38.000 -0.088 0.000 1.324 171 I HN 0.524 nan 8.210 nan 0.000 0.485 172 K N 1.492 121.967 120.400 0.125 0.000 2.541 172 K HA 0.768 5.087 4.320 -0.002 0.000 0.250 172 K C -1.610 175.046 176.600 0.093 0.000 0.950 172 K CA -0.605 55.784 56.287 0.170 0.000 0.805 172 K CB 2.040 34.706 32.500 0.277 0.000 1.166 172 K HN 0.868 nan 8.250 nan 0.000 0.430 173 A N 3.917 126.771 122.820 0.057 0.000 2.291 173 A HA 0.394 4.713 4.320 -0.002 0.000 0.311 173 A C -0.573 177.028 177.584 0.027 0.000 1.224 173 A CA -0.508 51.548 52.037 0.032 0.000 0.821 173 A CB 0.233 19.239 19.000 0.010 0.000 1.172 173 A HN 0.942 nan 8.150 nan 0.000 0.494 174 N N 2.751 121.467 118.700 0.026 0.000 2.705 174 N HA -0.191 4.548 4.740 -0.002 0.000 0.255 174 N C 0.018 175.539 175.510 0.018 0.000 1.008 174 N CA 1.399 54.460 53.050 0.018 0.000 0.742 174 N CB -1.142 37.350 38.487 0.009 0.000 0.906 174 N HN 0.774 nan 8.380 nan 0.000 0.541 175 N N -2.307 116.412 118.700 0.032 0.000 2.741 175 N HA -0.228 4.511 4.740 -0.002 0.000 0.251 175 N C -1.032 174.494 175.510 0.027 0.000 1.112 175 N CA 0.749 53.817 53.050 0.030 0.000 0.750 175 N CB -1.092 37.403 38.487 0.012 0.000 1.119 175 N HN 0.599 nan 8.380 nan 0.000 0.561 176 N N 1.184 119.905 118.700 0.034 0.000 2.443 176 N HA 0.140 4.879 4.740 -0.002 0.000 0.269 176 N C -0.715 174.837 175.510 0.070 0.000 0.985 176 N CA -0.176 52.886 53.050 0.021 0.000 0.921 176 N CB 1.008 39.492 38.487 -0.006 0.000 1.195 176 N HN 0.128 nan 8.380 nan 0.000 0.492 177 E N 2.926 123.195 120.200 0.114 0.000 2.217 177 E HA 0.181 4.530 4.350 -0.002 0.000 0.279 177 E C -0.232 176.532 176.600 0.272 0.000 1.068 177 E CA 0.341 56.870 56.400 0.215 0.000 0.882 177 E CB 0.951 30.864 29.700 0.354 0.000 1.039 177 E HN 0.346 nan 8.360 nan 0.000 0.418 178 M N 3.347 123.022 119.600 0.124 0.000 2.393 178 M HA 0.284 4.763 4.480 -0.002 0.000 0.316 178 M C -1.050 175.183 176.300 -0.111 0.000 1.087 178 M CA -1.193 54.157 55.300 0.082 0.000 0.937 178 M CB 1.470 34.067 32.600 -0.005 0.000 1.668 178 M HN 0.190 nan 8.290 nan 0.000 0.438 179 L N 4.421 125.551 121.223 -0.156 0.000 2.281 179 L HA 0.401 4.740 4.340 -0.002 0.000 0.285 179 L C -0.222 176.467 176.870 -0.302 0.000 1.074 179 L CA 0.440 55.102 54.840 -0.296 0.000 0.817 179 L CB 0.445 42.313 42.059 -0.318 0.000 1.168 179 L HN 0.605 nan 8.230 nan 0.000 0.434 180 M N 2.998 122.315 119.600 -0.472 0.000 2.537 180 M HA 0.813 5.292 4.480 -0.002 0.000 0.324 180 M C -0.180 175.803 176.300 -0.529 0.000 1.187 180 M CA -0.637 54.307 55.300 -0.593 0.000 0.993 180 M CB 1.684 33.638 32.600 -1.077 0.000 1.666 180 M HN 0.589 nan 8.290 nan 0.000 0.461 181 A N 2.254 124.904 122.820 -0.283 0.000 2.520 181 A HA 0.856 5.175 4.320 -0.002 0.000 0.298 181 A C -1.165 176.386 177.584 -0.055 0.000 1.051 181 A CA -0.782 51.187 52.037 -0.114 0.000 0.690 181 A CB 1.880 20.878 19.000 -0.004 0.000 1.281 181 A HN 0.841 nan 8.150 nan 0.000 0.402 182 K N 0.525 120.890 120.400 -0.058 0.000 2.556 182 K HA 0.861 5.179 4.320 -0.002 0.000 0.274 182 K C -1.010 175.493 176.600 -0.163 0.000 0.966 182 K CA -0.759 55.382 56.287 -0.243 0.000 0.865 182 K CB 1.795 33.957 32.500 -0.563 0.000 1.444 182 K HN 0.670 nan 8.250 nan 0.000 0.433 183 R N 1.770 122.159 120.500 -0.185 0.000 2.572 183 R HA 0.166 4.505 4.340 -0.002 0.000 0.273 183 R C -1.078 175.190 176.300 -0.052 0.000 1.168 183 R CA -0.124 55.944 56.100 -0.054 0.000 1.021 183 R CB 0.759 31.073 30.300 0.024 0.000 1.249 183 R HN 0.982 nan 8.270 nan 0.000 0.423 184 D N 1.451 121.840 120.400 -0.019 0.000 3.685 184 D HA -0.299 4.340 4.640 -0.002 0.000 0.152 184 D C 0.550 176.860 176.300 0.016 0.000 0.966 184 D CA 1.892 55.903 54.000 0.018 0.000 1.085 184 D CB -0.579 40.247 40.800 0.043 0.000 0.521 184 D HN 0.829 nan 8.370 nan 0.000 0.543 185 N N 0.972 119.724 118.700 0.087 0.000 2.322 185 N HA 0.061 4.800 4.740 -0.002 0.000 0.194 185 N C 0.064 175.740 175.510 0.276 0.000 1.126 185 N CA 0.228 53.395 53.050 0.195 0.000 0.845 185 N CB 0.533 39.122 38.487 0.170 0.000 0.976 185 N HN 0.159 nan 8.380 nan 0.000 0.475 186 V N 1.731 121.738 119.914 0.156 0.000 2.370 186 V HA 0.344 4.463 4.120 -0.002 0.000 0.283 186 V C -0.973 175.182 176.094 0.102 0.000 1.023 186 V CA -0.658 61.814 62.300 0.287 0.000 0.857 186 V CB 0.299 32.313 31.823 0.319 0.000 0.985 186 V HN 0.062 nan 8.190 nan 0.000 0.443 187 Y N 2.209 122.632 120.300 0.205 0.000 2.485 187 Y HA 0.690 5.239 4.550 -0.002 0.000 0.345 187 Y C 0.582 176.463 175.900 -0.032 0.000 0.998 187 Y CA -0.779 57.375 58.100 0.091 0.000 1.059 187 Y CB 2.490 40.992 38.460 0.070 0.000 1.234 187 Y HN 0.661 nan 8.280 nan 0.000 0.461 188 T N -0.470 114.089 114.554 0.008 0.000 2.893 188 T HA 0.894 5.243 4.350 -0.002 0.000 0.293 188 T C -1.016 173.533 174.700 -0.252 0.000 1.027 188 T CA -0.921 61.004 62.100 -0.291 0.000 0.988 188 T CB 1.675 70.348 68.868 -0.325 0.000 1.043 188 T HN 0.839 nan 8.240 nan 0.000 0.461 189 A N 3.554 126.171 122.820 -0.337 0.000 2.335 189 A HA 0.731 5.050 4.320 -0.002 0.000 0.304 189 A C -0.743 176.671 177.584 -0.283 0.000 1.118 189 A CA -0.873 51.013 52.037 -0.252 0.000 0.757 189 A CB 1.014 19.910 19.000 -0.172 0.000 1.188 189 A HN 1.022 nan 8.150 nan 0.000 0.460 190 L N 3.413 124.490 121.223 -0.242 0.000 2.287 190 L HA 0.695 5.033 4.340 -0.002 0.000 0.287 190 L C 0.050 177.000 176.870 0.132 0.000 1.022 190 L CA -0.121 54.611 54.840 -0.180 0.000 0.814 190 L CB 1.507 43.368 42.059 -0.331 0.000 1.217 190 L HN 0.917 nan 8.230 nan 0.000 0.420 191 S N 2.371 118.167 115.700 0.160 0.000 2.627 191 S HA 0.672 5.141 4.470 -0.002 0.000 0.283 191 S C -0.843 173.700 174.600 -0.095 0.000 1.127 191 S CA -0.707 57.578 58.200 0.141 0.000 0.863 191 S CB 2.058 65.252 63.200 -0.009 0.000 1.121 191 S HN 0.533 nan 8.310 nan 0.000 0.479 192 S N 0.420 115.810 115.700 -0.517 0.000 2.538 192 S HA 0.367 4.836 4.470 -0.002 0.000 0.288 192 S C 0.864 175.235 174.600 -0.383 0.000 1.108 192 S CA -0.654 57.164 58.200 -0.637 0.000 0.971 192 S CB 0.989 63.333 63.200 -1.427 0.000 1.041 192 S HN 0.849 nan 8.310 nan 0.000 0.483 193 N N 4.375 122.953 118.700 -0.202 0.000 2.381 193 N HA -0.098 4.641 4.740 -0.002 0.000 0.182 193 N C 1.251 176.669 175.510 -0.152 0.000 1.025 193 N CA 1.511 54.481 53.050 -0.132 0.000 0.888 193 N CB -0.521 37.928 38.487 -0.063 0.000 0.965 193 N HN 0.817 nan 8.380 nan 0.000 0.438 194 I N -4.989 115.456 120.570 -0.209 0.000 4.025 194 I HA 0.492 4.661 4.170 -0.002 0.000 0.336 194 I C 0.851 176.794 176.117 -0.290 0.000 1.390 194 I CA -0.247 60.933 61.300 -0.200 0.000 1.099 194 I CB 0.294 38.197 38.000 -0.163 0.000 1.049 194 I HN 0.119 nan 8.210 nan 0.000 0.394 195 G N 1.608 110.131 108.800 -0.461 0.000 2.693 195 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.226 195 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.226 195 G C -1.113 173.368 174.900 -0.698 0.000 1.354 195 G CA -0.170 44.582 45.100 -0.580 0.000 0.873 195 G HN 0.476 nan 8.290 nan 0.000 0.562 196 W N -0.739 120.559 121.300 -0.004 0.000 2.761 196 W HA 0.743 5.402 4.660 -0.002 0.000 0.340 196 W C 1.031 177.534 176.519 -0.026 0.000 1.072 196 W CA -0.784 56.558 57.345 -0.005 0.000 1.215 196 W CB 2.110 31.629 29.460 0.098 0.000 1.420 196 W HN 0.725 nan 8.180 nan 0.000 0.519 197 K N 1.058 121.560 120.400 0.170 0.000 2.365 197 K HA 0.322 4.641 4.320 -0.002 0.000 0.197 197 K C 0.458 177.074 176.600 0.027 0.000 1.042 197 K CA 0.855 57.165 56.287 0.038 0.000 0.987 197 K CB 0.011 32.488 32.500 -0.039 0.000 0.779 197 K HN 0.680 nan 8.250 nan 0.000 0.484 198 G N -0.251 108.613 108.800 0.106 0.000 2.519 198 G HA2 0.357 4.315 3.960 -0.002 0.000 0.292 198 G HA3 0.357 4.315 3.960 -0.002 0.000 0.292 198 G C -2.031 172.927 174.900 0.096 0.000 1.507 198 G CA -0.825 44.258 45.100 -0.027 0.000 0.806 198 G HN 0.154 nan 8.290 nan 0.000 0.523 199 Y N -1.678 118.704 120.300 0.138 0.000 2.644 199 Y HA 0.900 5.448 4.550 -0.002 0.000 0.338 199 Y C -0.308 175.650 175.900 0.097 0.000 1.119 199 Y CA -1.701 56.406 58.100 0.011 0.000 1.060 199 Y CB 1.859 40.239 38.460 -0.133 0.000 1.294 199 Y HN 1.159 nan 8.280 nan 0.000 0.472 200 S N 1.102 116.953 115.700 0.252 0.000 2.586 200 S HA 0.586 5.055 4.470 -0.002 0.000 0.296 200 S C -2.022 172.631 174.600 0.088 0.000 1.120 200 S CA -0.633 57.656 58.200 0.150 0.000 0.927 200 S CB 0.379 63.542 63.200 -0.062 0.000 1.114 200 S HN 0.723 nan 8.310 nan 0.000 0.453 201 I N 4.452 125.092 120.570 0.117 0.000 2.371 201 I HA 0.553 4.722 4.170 -0.002 0.000 0.282 201 I C 0.829 176.922 176.117 -0.040 0.000 1.031 201 I CA -0.419 60.880 61.300 -0.002 0.000 1.180 201 I CB 1.230 39.202 38.000 -0.046 0.000 1.336 201 I HN 0.664 nan 8.210 nan 0.000 0.467 202 G N 4.445 113.202 108.800 -0.073 0.000 2.685 202 G HA2 0.584 4.543 3.960 -0.002 0.000 0.298 202 G HA3 0.584 4.543 3.960 -0.002 0.000 0.298 202 G C -1.527 173.226 174.900 -0.245 0.000 1.277 202 G CA -0.464 44.554 45.100 -0.138 0.000 0.986 202 G HN 0.256 nan 8.290 nan 0.000 0.487 203 Y N -0.270 120.047 120.300 0.029 0.000 2.316 203 Y HA 0.268 4.817 4.550 -0.002 0.000 0.331 203 Y C 0.276 176.226 175.900 0.082 0.000 1.083 203 Y CA -0.673 57.446 58.100 0.032 0.000 1.206 203 Y CB 0.847 39.300 38.460 -0.011 0.000 1.195 203 Y HN 0.469 nan 8.280 nan 0.000 0.497 204 Y N 4.749 125.124 120.300 0.125 0.000 2.865 204 Y HA -0.109 4.440 4.550 -0.002 0.000 0.338 204 Y C 0.916 176.848 175.900 0.053 0.000 1.269 204 Y CA 0.070 58.203 58.100 0.056 0.000 1.585 204 Y CB -0.056 38.423 38.460 0.032 0.000 1.224 204 Y HN 0.812 nan 8.280 nan 0.000 0.554 205 K N 1.984 122.183 120.400 -0.336 0.000 3.274 205 K HA -0.228 4.091 4.320 -0.002 0.000 0.300 205 K C 0.314 176.832 176.600 -0.136 0.000 1.230 205 K CA 0.775 56.846 56.287 -0.360 0.000 0.884 205 K CB -1.796 30.347 32.500 -0.594 0.000 1.242 205 K HN 0.494 nan 8.250 nan 0.000 0.467 206 V N -0.308 119.591 119.914 -0.024 0.000 3.264 206 V HA 0.002 4.121 4.120 -0.002 0.000 0.217 206 V C 0.594 176.723 176.094 0.058 0.000 1.236 206 V CA 1.264 63.581 62.300 0.027 0.000 1.287 206 V CB 0.348 32.222 31.823 0.086 0.000 1.241 206 V HN 0.492 nan 8.190 nan 0.000 0.518 207 N N 0.411 119.176 118.700 0.109 0.000 2.475 207 N HA 0.078 4.817 4.740 -0.002 0.000 0.272 207 N C -0.613 174.960 175.510 0.106 0.000 1.482 207 N CA -0.408 52.717 53.050 0.124 0.000 0.863 207 N CB -0.332 38.301 38.487 0.243 0.000 1.400 207 N HN 0.530 nan 8.380 nan 0.000 0.489 208 D N -0.254 120.188 120.400 0.070 0.000 2.371 208 D HA 0.000 4.639 4.640 -0.002 0.000 0.242 208 D C 1.277 177.574 176.300 -0.004 0.000 1.218 208 D CA -0.710 53.320 54.000 0.049 0.000 0.945 208 D CB 1.430 42.289 40.800 0.098 0.000 1.137 208 D HN -0.173 nan 8.370 nan 0.000 0.464 209 I N 0.116 120.671 120.570 -0.026 0.000 2.194 209 I HA -0.286 3.883 4.170 -0.002 0.000 0.246 209 I C 2.117 178.173 176.117 -0.101 0.000 1.093 209 I CA 1.469 62.719 61.300 -0.084 0.000 1.355 209 I CB -0.493 37.471 38.000 -0.061 0.000 1.046 209 I HN 0.433 nan 8.210 nan 0.000 0.413 210 M N 0.262 119.841 119.600 -0.035 0.000 2.117 210 M HA -0.175 4.304 4.480 -0.002 0.000 0.262 210 M C 2.094 178.369 176.300 -0.042 0.000 1.065 210 M CA 2.087 57.372 55.300 -0.024 0.000 1.114 210 M CB -0.744 31.880 32.600 0.041 0.000 1.361 210 M HN 0.113 nan 8.290 nan 0.000 0.408 211 T N -0.075 114.459 114.554 -0.033 0.000 2.821 211 T HA -0.134 4.215 4.350 -0.002 0.000 0.267 211 T C 1.517 176.178 174.700 -0.064 0.000 1.046 211 T CA 1.543 63.618 62.100 -0.042 0.000 1.139 211 T CB -0.481 68.367 68.868 -0.032 0.000 0.871 211 T HN 0.449 nan 8.240 nan 0.000 0.454 212 D N 1.241 121.589 120.400 -0.088 0.000 2.123 212 D HA -0.051 4.588 4.640 -0.002 0.000 0.196 212 D C 1.999 178.207 176.300 -0.154 0.000 0.992 212 D CA 0.910 54.835 54.000 -0.126 0.000 0.833 212 D CB -0.292 40.405 40.800 -0.172 0.000 0.954 212 D HN 0.320 nan 8.370 nan 0.000 0.455 213 L N 0.178 121.288 121.223 -0.188 0.000 2.156 213 L HA -0.102 4.237 4.340 -0.002 0.000 0.208 213 L C 1.925 178.725 176.870 -0.116 0.000 1.095 213 L CA 0.859 55.574 54.840 -0.208 0.000 0.770 213 L CB -0.327 41.568 42.059 -0.273 0.000 0.914 213 L HN -0.063 nan 8.230 nan 0.000 0.439 214 D N -0.139 120.215 120.400 -0.077 0.000 2.218 214 D HA -0.205 4.434 4.640 -0.002 0.000 0.204 214 D C 2.014 178.289 176.300 -0.041 0.000 0.976 214 D CA 1.108 55.084 54.000 -0.040 0.000 0.853 214 D CB 0.202 40.987 40.800 -0.025 0.000 0.939 214 D HN 0.450 nan 8.370 nan 0.000 0.481 215 E N -0.443 119.724 120.200 -0.056 0.000 2.201 215 E HA 0.004 4.352 4.350 -0.002 0.000 0.193 215 E C 1.177 177.743 176.600 -0.057 0.000 0.957 215 E CA 0.288 56.659 56.400 -0.048 0.000 0.858 215 E CB 0.403 30.075 29.700 -0.046 0.000 0.816 215 E HN 0.065 nan 8.360 nan 0.000 0.475 216 N N 0.385 119.037 118.700 -0.080 0.000 2.332 216 N HA 0.056 4.795 4.740 -0.002 0.000 0.190 216 N C -0.299 175.155 175.510 -0.094 0.000 1.117 216 N CA 0.263 53.263 53.050 -0.083 0.000 0.883 216 N CB 0.698 39.128 38.487 -0.095 0.000 1.089 216 N HN 0.027 nan 8.380 nan 0.000 0.480 217 K N 1.086 121.415 120.400 -0.119 0.000 3.129 217 K HA -0.221 4.098 4.320 -0.002 0.000 0.273 217 K C -0.585 175.936 176.600 -0.132 0.000 1.123 217 K CA 0.674 56.882 56.287 -0.131 0.000 0.800 217 K CB -1.639 30.795 32.500 -0.110 0.000 1.238 217 K HN 0.598 nan 8.250 nan 0.000 0.492 218 Q N -1.601 118.092 119.800 -0.177 0.000 2.666 218 Q HA 0.404 4.743 4.340 -0.002 0.000 0.276 218 Q C -1.025 174.861 176.000 -0.191 0.000 0.952 218 Q CA -1.166 54.566 55.803 -0.119 0.000 0.850 218 Q CB 0.798 29.529 28.738 -0.011 0.000 1.512 218 Q HN 0.090 nan 8.270 nan 0.000 0.395 219 M N 1.775 121.293 119.600 -0.137 0.000 2.246 219 M HA 0.158 4.637 4.480 -0.002 0.000 0.350 219 M C -0.071 176.087 176.300 -0.237 0.000 1.406 219 M CA 0.586 55.756 55.300 -0.217 0.000 1.089 219 M CB 0.770 33.296 32.600 -0.124 0.000 1.782 219 M HN 0.894 nan 8.290 nan 0.000 0.457 220 T N 1.063 115.424 114.554 -0.322 0.000 3.026 220 T HA 0.140 4.489 4.350 -0.002 0.000 0.245 220 T C 0.187 174.640 174.700 -0.412 0.000 1.004 220 T CA 0.383 62.324 62.100 -0.266 0.000 1.069 220 T CB 0.432 69.193 68.868 -0.178 0.000 1.005 220 T HN 0.394 nan 8.240 nan 0.000 0.472 221 K N 1.650 121.716 120.400 -0.558 0.000 2.098 221 K HA 0.458 4.777 4.320 -0.002 0.000 0.258 221 K C -0.468 175.570 176.600 -0.936 0.000 0.973 221 K CA -0.466 55.379 56.287 -0.737 0.000 0.898 221 K CB 0.623 32.595 32.500 -0.880 0.000 1.057 221 K HN 0.156 nan 8.250 nan 0.000 0.447 222 H N 2.165 120.934 119.070 -0.501 0.000 2.712 222 H HA 0.134 4.689 4.556 -0.002 0.000 0.226 222 H C -0.868 174.390 175.328 -0.116 0.000 1.422 222 H CA -0.525 55.351 56.048 -0.287 0.000 1.270 222 H CB -0.159 29.434 29.762 -0.282 0.000 1.891 222 H HN 0.479 nan 8.280 nan 0.000 0.518 223 Y N 1.730 122.089 120.300 0.099 0.000 2.497 223 Y HA 0.027 4.576 4.550 -0.002 0.000 0.334 223 Y C 1.417 177.424 175.900 0.177 0.000 1.199 223 Y CA -0.249 57.910 58.100 0.098 0.000 1.425 223 Y CB 0.654 39.112 38.460 -0.003 0.000 1.291 223 Y HN 0.357 nan 8.280 nan 0.000 0.562 224 D N -1.533 119.074 120.400 0.345 0.000 2.501 224 D HA 0.197 4.836 4.640 -0.002 0.000 0.224 224 D C -0.282 176.085 176.300 0.111 0.000 1.202 224 D CA -0.253 53.892 54.000 0.242 0.000 0.829 224 D CB 0.423 41.421 40.800 0.330 0.000 1.023 224 D HN 0.230 nan 8.370 nan 0.000 0.499 225 S N -0.905 114.846 115.700 0.087 0.000 2.548 225 S HA 0.724 5.193 4.470 -0.002 0.000 0.278 225 S C -1.903 172.647 174.600 -0.083 0.000 1.150 225 S CA -0.062 58.151 58.200 0.022 0.000 0.907 225 S CB 1.015 64.232 63.200 0.028 0.000 1.108 225 S HN 0.676 nan 8.310 nan 0.000 0.459 226 A N 3.053 125.807 122.820 -0.110 0.000 2.567 226 A HA 0.867 5.186 4.320 -0.002 0.000 0.291 226 A C -1.223 176.306 177.584 -0.092 0.000 1.048 226 A CA -0.775 51.130 52.037 -0.220 0.000 0.661 226 A CB 1.498 20.110 19.000 -0.647 0.000 1.288 226 A HN 0.928 nan 8.150 nan 0.000 0.424 227 R N 0.376 120.920 120.500 0.074 0.000 2.518 227 R HA 0.578 4.917 4.340 -0.002 0.000 0.287 227 R C 0.087 176.460 176.300 0.122 0.000 1.135 227 R CA 0.628 56.711 56.100 -0.029 0.000 0.967 227 R CB 1.428 31.586 30.300 -0.238 0.000 1.212 227 R HN 2.542 nan 8.270 nan 0.000 0.422 228 G N 2.465 111.299 108.800 0.058 0.000 2.366 228 G HA2 -0.115 3.843 3.960 -0.002 0.000 0.190 228 G HA3 -0.115 3.843 3.960 -0.002 0.000 0.190 228 G C -1.477 173.480 174.900 0.096 0.000 1.299 228 G CA -0.977 44.192 45.100 0.114 0.000 1.056 228 G HN 0.505 nan 8.290 nan 0.000 0.468 229 N N 1.530 120.304 118.700 0.124 0.000 2.448 229 N HA 0.517 5.256 4.740 -0.002 0.000 0.250 229 N C 0.403 175.998 175.510 0.142 0.000 1.136 229 N CA 0.016 53.104 53.050 0.063 0.000 0.953 229 N CB 0.343 38.880 38.487 0.084 0.000 1.251 229 N HN 0.689 nan 8.380 nan 0.000 0.502 230 I N -1.430 119.153 120.570 0.021 0.000 2.982 230 I HA 0.659 4.828 4.170 -0.002 0.000 0.312 230 I C -0.643 175.417 176.117 -0.094 0.000 1.041 230 I CA -1.037 60.240 61.300 -0.039 0.000 1.053 230 I CB 1.713 39.636 38.000 -0.130 0.000 1.248 230 I HN 0.123 nan 8.210 nan 0.000 0.471 231 I N 2.032 122.547 120.570 -0.093 0.000 2.512 231 I HA 0.293 4.461 4.170 -0.002 0.000 0.287 231 I C -0.841 175.220 176.117 -0.094 0.000 1.069 231 I CA -0.412 60.825 61.300 -0.106 0.000 1.056 231 I CB 2.078 40.062 38.000 -0.026 0.000 1.229 231 I HN 0.642 nan 8.210 nan 0.000 0.429 232 E N 5.268 125.407 120.200 -0.102 0.000 2.044 232 E HA 0.427 4.776 4.350 -0.002 0.000 0.282 232 E C 0.063 176.630 176.600 -0.056 0.000 1.031 232 E CA -0.365 56.001 56.400 -0.056 0.000 0.824 232 E CB 1.700 31.415 29.700 0.025 0.000 1.076 232 E HN 0.750 nan 8.360 nan 0.000 0.395 233 G N 1.677 110.437 108.800 -0.067 0.000 2.417 233 G HA2 0.716 4.675 3.960 -0.002 0.000 0.334 233 G HA3 0.716 4.675 3.960 -0.002 0.000 0.334 233 G C -1.071 173.768 174.900 -0.102 0.000 1.150 233 G CA -0.469 44.596 45.100 -0.058 0.000 0.923 233 G HN 0.524 nan 8.290 nan 0.000 0.485 234 A N 0.625 123.399 122.820 -0.077 0.000 2.589 234 A HA 0.719 5.038 4.320 -0.002 0.000 0.296 234 A C -0.837 176.828 177.584 0.134 0.000 1.062 234 A CA -0.645 51.340 52.037 -0.088 0.000 0.686 234 A CB 1.763 20.371 19.000 -0.654 0.000 1.282 234 A HN 0.760 nan 8.150 nan 0.000 0.404 235 E N 1.740 122.039 120.200 0.165 0.000 2.204 235 E HA 0.535 4.884 4.350 -0.002 0.000 0.276 235 E C -0.895 175.704 176.600 -0.003 0.000 0.974 235 E CA -0.659 55.737 56.400 -0.007 0.000 0.815 235 E CB 0.730 30.393 29.700 -0.061 0.000 1.119 235 E HN 0.494 nan 8.360 nan 0.000 0.393 236 I N 3.686 124.144 120.570 -0.187 0.000 2.331 236 I HA 0.085 4.254 4.170 -0.002 0.000 0.292 236 I C 0.088 176.002 176.117 -0.339 0.000 0.998 236 I CA -0.429 60.693 61.300 -0.297 0.000 1.267 236 I CB 1.051 38.714 38.000 -0.561 0.000 1.386 236 I HN 0.639 nan 8.210 nan 0.000 0.476 237 D N 7.049 127.282 120.400 -0.279 0.000 2.416 237 D HA 0.098 4.737 4.640 -0.002 0.000 0.240 237 D C 1.230 177.377 176.300 -0.255 0.000 1.250 237 D CA -0.007 53.856 54.000 -0.228 0.000 0.967 237 D CB 0.560 41.265 40.800 -0.159 0.000 1.059 237 D HN 0.438 nan 8.370 nan 0.000 0.512 238 L N 2.267 123.321 121.223 -0.282 0.000 2.131 238 L HA -0.187 4.152 4.340 -0.002 0.000 0.210 238 L C 2.564 179.310 176.870 -0.207 0.000 1.092 238 L CA 1.484 56.174 54.840 -0.250 0.000 0.759 238 L CB -0.600 41.281 42.059 -0.296 0.000 0.903 238 L HN 0.431 nan 8.230 nan 0.000 0.435 239 T N -2.867 111.559 114.554 -0.214 0.000 2.977 239 T HA -0.226 4.123 4.350 -0.002 0.000 0.271 239 T C 1.758 176.410 174.700 -0.080 0.000 1.105 239 T CA 1.275 63.278 62.100 -0.162 0.000 1.116 239 T CB -0.084 68.735 68.868 -0.081 0.000 0.878 239 T HN 0.258 nan 8.240 nan 0.000 0.509 240 K N 0.926 121.269 120.400 -0.096 0.000 2.166 240 K HA 0.140 4.459 4.320 -0.002 0.000 0.201 240 K C 0.285 176.854 176.600 -0.053 0.000 1.052 240 K CA 0.351 56.596 56.287 -0.071 0.000 0.969 240 K CB 0.361 32.805 32.500 -0.093 0.000 0.761 240 K HN 0.273 nan 8.250 nan 0.000 0.459 241 N N -1.027 117.638 118.700 -0.059 0.000 3.126 241 N HA -0.038 4.701 4.740 -0.002 0.000 0.233 241 N C -0.572 174.962 175.510 0.040 0.000 1.069 241 N CA 0.108 53.157 53.050 -0.003 0.000 1.071 241 N CB 1.535 40.032 38.487 0.017 0.000 1.683 241 N HN 0.058 nan 8.380 nan 0.000 0.586 242 S N 0.888 116.637 115.700 0.082 0.000 2.527 242 S HA 0.103 4.572 4.470 -0.002 0.000 0.222 242 S C 0.507 175.262 174.600 0.258 0.000 0.985 242 S CA 0.372 58.668 58.200 0.160 0.000 0.921 242 S CB 0.389 63.675 63.200 0.143 0.000 0.772 242 S HN 0.573 nan 8.310 nan 0.000 0.529 243 E N 0.218 120.539 120.200 0.201 0.000 2.199 243 E HA 0.606 4.955 4.350 -0.002 0.000 0.269 243 E C -1.071 175.645 176.600 0.193 0.000 0.899 243 E CA -1.031 55.418 56.400 0.082 0.000 0.772 243 E CB 1.148 30.829 29.700 -0.032 0.000 1.155 243 E HN 0.401 nan 8.360 nan 0.000 0.408 244 F N 0.144 120.039 119.950 -0.093 0.000 2.779 244 F HA 0.533 5.059 4.527 -0.002 0.000 0.316 244 F C -1.324 174.412 175.800 -0.107 0.000 1.164 244 F CA -1.154 56.783 58.000 -0.105 0.000 0.924 244 F CB 1.002 39.946 39.000 -0.094 0.000 1.348 244 F HN 0.231 nan 8.300 nan 0.000 0.467 245 E N 1.850 122.072 120.200 0.038 0.000 2.191 245 E HA 0.527 4.876 4.350 -0.002 0.000 0.263 245 E C -1.282 175.344 176.600 0.043 0.000 0.881 245 E CA -0.821 55.550 56.400 -0.047 0.000 0.757 245 E CB 2.567 32.224 29.700 -0.072 0.000 1.147 245 E HN 0.357 nan 8.360 nan 0.000 0.414 246 I N 3.106 123.708 120.570 0.052 0.000 2.377 246 I HA 0.340 4.509 4.170 -0.002 0.000 0.293 246 I C -0.281 175.828 176.117 -0.013 0.000 0.987 246 I CA -0.859 60.490 61.300 0.081 0.000 1.185 246 I CB 1.441 39.551 38.000 0.183 0.000 1.341 246 I HN 0.293 nan 8.210 nan 0.000 0.455 247 V N 7.053 126.948 119.914 -0.031 0.000 2.531 247 V HA 0.403 4.522 4.120 -0.002 0.000 0.301 247 V C -0.498 175.525 176.094 -0.119 0.000 1.034 247 V CA -0.742 61.510 62.300 -0.079 0.000 0.865 247 V CB 2.527 34.309 31.823 -0.069 0.000 0.995 247 V HN 0.484 nan 8.190 nan 0.000 0.424 248 L N 4.980 126.105 121.223 -0.162 0.000 2.298 248 L HA 0.751 5.090 4.340 -0.002 0.000 0.284 248 L C -0.040 176.657 176.870 -0.289 0.000 1.013 248 L CA 0.689 55.355 54.840 -0.290 0.000 0.824 248 L CB 1.630 43.499 42.059 -0.317 0.000 1.221 248 L HN 0.664 nan 8.230 nan 0.000 0.418 249 S N 4.077 119.546 115.700 -0.386 0.000 2.607 249 S HA 0.746 5.215 4.470 -0.002 0.000 0.303 249 S C -0.926 173.318 174.600 -0.594 0.000 1.086 249 S CA -0.310 57.711 58.200 -0.298 0.000 0.995 249 S CB 1.217 64.332 63.200 -0.141 0.000 1.084 249 S HN 0.398 nan 8.310 nan 0.000 0.507 250 F N 0.299 120.080 119.950 -0.281 0.000 2.561 250 F HA 0.826 5.352 4.527 -0.002 0.000 0.321 250 F C 0.814 176.396 175.800 -0.365 0.000 1.065 250 F CA -0.422 57.266 58.000 -0.521 0.000 0.934 250 F CB 2.335 40.502 39.000 -1.387 0.000 1.215 250 F HN 0.773 nan 8.300 nan 0.000 0.471 251 G N 0.441 109.252 108.800 0.018 0.000 2.559 251 G HA2 0.284 4.243 3.960 -0.002 0.000 0.291 251 G HA3 0.284 4.243 3.960 -0.002 0.000 0.291 251 G C -1.412 173.708 174.900 0.367 0.000 1.424 251 G CA -0.644 44.569 45.100 0.189 0.000 0.786 251 G HN 0.556 nan 8.290 nan 0.000 0.485 252 Q N -0.565 119.411 119.800 0.294 0.000 2.222 252 Q HA 0.419 4.758 4.340 -0.002 0.000 0.206 252 Q C 0.385 176.474 176.000 0.147 0.000 0.877 252 Q CA 0.465 56.464 55.803 0.327 0.000 0.958 252 Q CB 0.008 28.887 28.738 0.235 0.000 1.075 252 Q HN 0.815 nan 8.270 nan 0.000 0.483 253 S N -2.504 113.070 115.700 -0.211 0.000 2.595 253 S HA 0.170 4.638 4.470 -0.002 0.000 0.270 253 S C -0.223 173.874 174.600 -0.838 0.000 1.145 253 S CA -0.758 56.947 58.200 -0.826 0.000 0.825 253 S CB 0.748 63.755 63.200 -0.321 0.000 1.107 253 S HN 0.010 nan 8.310 nan 0.000 0.461 254 D N 1.489 121.388 120.400 -0.834 0.000 2.104 254 D HA -0.066 4.573 4.640 -0.002 0.000 0.194 254 D C 1.961 178.162 176.300 -0.165 0.000 0.994 254 D CA 2.055 55.865 54.000 -0.317 0.000 0.830 254 D CB -0.316 40.421 40.800 -0.105 0.000 0.959 254 D HN 0.486 nan 8.370 nan 0.000 0.452 255 S N -0.212 115.398 115.700 -0.149 0.000 2.368 255 S HA -0.189 4.280 4.470 -0.002 0.000 0.225 255 S C 1.814 176.376 174.600 -0.063 0.000 1.030 255 S CA 1.455 59.608 58.200 -0.079 0.000 0.999 255 S CB -0.115 63.048 63.200 -0.061 0.000 0.844 255 S HN 0.260 nan 8.310 nan 0.000 0.459 256 E N 0.198 120.354 120.200 -0.074 0.000 2.047 256 E HA -0.105 4.244 4.350 -0.002 0.000 0.191 256 E C 2.231 178.817 176.600 -0.024 0.000 0.987 256 E CA 0.968 57.352 56.400 -0.027 0.000 0.799 256 E CB -0.351 29.352 29.700 0.005 0.000 0.752 256 E HN 0.577 nan 8.360 nan 0.000 0.449 257 A N 1.379 124.171 122.820 -0.045 0.000 1.865 257 A HA -0.178 4.140 4.320 -0.002 0.000 0.217 257 A C 2.408 179.952 177.584 -0.067 0.000 1.191 257 A CA 2.166 54.169 52.037 -0.057 0.000 0.623 257 A CB -0.925 18.041 19.000 -0.057 0.000 0.826 257 A HN 0.411 nan 8.150 nan 0.000 0.444 258 A N -0.321 122.463 122.820 -0.061 0.000 1.877 258 A HA -0.202 4.116 4.320 -0.002 0.000 0.216 258 A C 2.167 179.731 177.584 -0.033 0.000 1.186 258 A CA 2.154 54.162 52.037 -0.049 0.000 0.620 258 A CB -0.542 18.435 19.000 -0.038 0.000 0.822 258 A HN 0.575 nan 8.150 nan 0.000 0.443 259 K N -0.949 119.436 120.400 -0.025 0.000 2.063 259 K HA -0.154 4.164 4.320 -0.002 0.000 0.208 259 K C 1.990 178.585 176.600 -0.008 0.000 1.048 259 K CA 1.920 58.200 56.287 -0.012 0.000 0.928 259 K CB -0.356 32.140 32.500 -0.007 0.000 0.713 259 K HN 0.463 nan 8.250 nan 0.000 0.442 260 T N 0.696 115.245 114.554 -0.009 0.000 2.746 260 T HA -0.112 4.237 4.350 -0.002 0.000 0.267 260 T C 1.860 176.553 174.700 -0.012 0.000 1.039 260 T CA 1.273 63.374 62.100 0.001 0.000 1.142 260 T CB -0.287 68.586 68.868 0.010 0.000 0.866 260 T HN 0.422 nan 8.240 nan 0.000 0.444 261 A N 1.300 124.099 122.820 -0.034 0.000 1.902 261 A HA 0.005 4.324 4.320 -0.002 0.000 0.217 261 A C 2.309 179.876 177.584 -0.028 0.000 1.181 261 A CA 1.196 53.206 52.037 -0.044 0.000 0.623 261 A CB -0.857 18.105 19.000 -0.064 0.000 0.818 261 A HN 0.473 nan 8.150 nan 0.000 0.443 262 L N -0.808 120.402 121.223 -0.021 0.000 2.046 262 L HA -0.208 4.131 4.340 -0.002 0.000 0.208 262 L C 2.608 179.476 176.870 -0.004 0.000 1.077 262 L CA 1.650 56.482 54.840 -0.014 0.000 0.747 262 L CB -0.612 41.441 42.059 -0.010 0.000 0.896 262 L HN 0.489 nan 8.230 nan 0.000 0.432 263 E N -0.579 119.622 120.200 0.001 0.000 2.072 263 E HA -0.171 4.178 4.350 -0.002 0.000 0.191 263 E C 2.109 178.718 176.600 0.015 0.000 0.985 263 E CA 1.697 58.103 56.400 0.010 0.000 0.801 263 E CB -0.084 29.625 29.700 0.015 0.000 0.750 263 E HN 0.430 nan 8.360 nan 0.000 0.452 264 T N 1.538 116.099 114.554 0.011 0.000 2.737 264 T HA -0.096 4.253 4.350 -0.002 0.000 0.265 264 T C 1.962 176.674 174.700 0.021 0.000 1.038 264 T CA 0.745 62.855 62.100 0.017 0.000 1.144 264 T CB -0.185 68.684 68.868 0.000 0.000 0.866 264 T HN 0.073 nan 8.240 nan 0.000 0.434 265 L N 0.674 121.900 121.223 0.005 0.000 2.083 265 L HA -0.026 4.312 4.340 -0.002 0.000 0.209 265 L C 2.866 179.746 176.870 0.016 0.000 1.083 265 L CA 1.248 56.091 54.840 0.005 0.000 0.752 265 L CB -0.737 41.311 42.059 -0.019 0.000 0.899 265 L HN 0.360 nan 8.230 nan 0.000 0.433 266 G N -0.914 107.894 108.800 0.014 0.000 2.534 266 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.217 266 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.217 266 G C 0.613 175.529 174.900 0.027 0.000 1.128 266 G CA -0.121 44.989 45.100 0.016 0.000 0.784 266 G HN 0.294 nan 8.290 nan 0.000 0.542 267 E N 0.631 120.854 120.200 0.038 0.000 2.349 267 E HA 0.175 4.524 4.350 -0.002 0.000 0.265 267 E C -0.344 176.295 176.600 0.066 0.000 1.064 267 E CA -0.635 55.792 56.400 0.046 0.000 0.886 267 E CB 0.612 30.342 29.700 0.051 0.000 1.036 267 E HN 0.130 nan 8.360 nan 0.000 0.413 268 D N 3.046 123.482 120.400 0.059 0.000 2.383 268 D HA -0.090 4.549 4.640 -0.002 0.000 0.252 268 D C 0.478 176.841 176.300 0.106 0.000 1.166 268 D CA 0.060 54.106 54.000 0.077 0.000 0.879 268 D CB 0.472 41.300 40.800 0.047 0.000 1.164 268 D HN 0.595 nan 8.370 nan 0.000 0.462 269 Y N 5.918 126.243 120.300 0.043 0.000 2.040 269 Y HA -0.327 4.222 4.550 -0.002 0.000 0.275 269 Y C 1.846 177.783 175.900 0.062 0.000 1.171 269 Y CA 1.995 60.142 58.100 0.078 0.000 1.123 269 Y CB -0.215 38.278 38.460 0.055 0.000 0.963 269 Y HN 0.501 nan 8.280 nan 0.000 0.493 270 N N 0.493 119.196 118.700 0.005 0.000 2.205 270 N HA -0.220 4.519 4.740 -0.002 0.000 0.186 270 N C 1.560 176.966 175.510 -0.174 0.000 1.015 270 N CA 1.306 54.275 53.050 -0.135 0.000 0.862 270 N CB -0.593 37.888 38.487 -0.009 0.000 0.986 270 N HN 0.507 nan 8.380 nan 0.000 0.429 271 N N 1.185 119.833 118.700 -0.086 0.000 2.106 271 N HA -0.019 4.720 4.740 -0.002 0.000 0.188 271 N C 1.930 177.397 175.510 -0.071 0.000 1.029 271 N CA 0.515 53.528 53.050 -0.061 0.000 0.848 271 N CB -0.136 38.342 38.487 -0.015 0.000 1.007 271 N HN 0.233 nan 8.380 nan 0.000 0.423 272 L N 1.178 122.367 121.223 -0.056 0.000 2.017 272 L HA -0.168 4.170 4.340 -0.002 0.000 0.208 272 L C 2.585 179.408 176.870 -0.080 0.000 1.073 272 L CA 1.218 56.081 54.840 0.038 0.000 0.745 272 L CB -0.383 41.779 42.059 0.171 0.000 0.894 272 L HN 0.184 nan 8.230 nan 0.000 0.432 273 K N 0.167 120.286 120.400 -0.470 0.000 2.002 273 K HA -0.195 4.124 4.320 -0.002 0.000 0.209 273 K C 1.961 178.286 176.600 -0.459 0.000 1.048 273 K CA 1.734 57.416 56.287 -1.010 0.000 0.930 273 K CB 0.002 31.794 32.500 -1.180 0.000 0.714 273 K HN 0.257 nan 8.250 nan 0.000 0.438 274 N N 1.160 119.684 118.700 -0.293 0.000 2.120 274 N HA -0.152 4.587 4.740 -0.002 0.000 0.188 274 N C 1.387 176.858 175.510 -0.065 0.000 1.024 274 N CA 1.484 54.443 53.050 -0.152 0.000 0.852 274 N CB -0.603 37.813 38.487 -0.118 0.000 1.003 274 N HN 0.377 nan 8.380 nan 0.000 0.424 275 N N -0.339 118.335 118.700 -0.044 0.000 2.166 275 N HA -0.182 4.557 4.740 -0.002 0.000 0.186 275 N C 1.643 177.176 175.510 0.039 0.000 1.019 275 N CA 0.640 53.689 53.050 -0.002 0.000 0.856 275 N CB -0.186 38.310 38.487 0.015 0.000 0.993 275 N HN 0.273 nan 8.380 nan 0.000 0.426 276 Y N 1.869 122.143 120.300 -0.043 0.000 2.145 276 Y HA -0.117 4.432 4.550 -0.002 0.000 0.286 276 Y C 2.023 177.991 175.900 0.113 0.000 1.145 276 Y CA 1.354 59.485 58.100 0.052 0.000 1.148 276 Y CB -0.146 38.376 38.460 0.105 0.000 0.981 276 Y HN -0.010 nan 8.280 nan 0.000 0.507 277 I N 0.010 120.723 120.570 0.237 0.000 2.252 277 I HA -0.297 3.872 4.170 -0.002 0.000 0.245 277 I C 1.890 178.061 176.117 0.090 0.000 1.102 277 I CA 1.487 62.908 61.300 0.203 0.000 1.385 277 I CB -0.474 37.613 38.000 0.144 0.000 1.064 277 I HN 0.225 nan 8.210 nan 0.000 0.414 278 D N 0.740 121.154 120.400 0.023 0.000 2.149 278 D HA -0.208 4.431 4.640 -0.002 0.000 0.198 278 D C 2.041 178.321 176.300 -0.034 0.000 0.990 278 D CA 1.217 55.213 54.000 -0.007 0.000 0.839 278 D CB -0.204 40.581 40.800 -0.025 0.000 0.948 278 D HN 0.409 nan 8.370 nan 0.000 0.460 279 E N -0.594 119.542 120.200 -0.107 0.000 2.077 279 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 279 E C 2.077 178.542 176.600 -0.226 0.000 0.989 279 E CA 0.782 57.047 56.400 -0.225 0.000 0.800 279 E CB -0.046 29.420 29.700 -0.390 0.000 0.746 279 E HN 0.396 nan 8.360 nan 0.000 0.452 280 W N 0.196 121.406 121.300 -0.149 0.000 2.409 280 W HA -0.118 4.541 4.660 -0.002 0.000 0.299 280 W C 2.544 179.060 176.519 -0.005 0.000 1.203 280 W CA 1.104 58.395 57.345 -0.090 0.000 1.298 280 W CB -0.177 29.183 29.460 -0.166 0.000 1.127 280 W HN 0.038 nan 8.180 nan 0.000 0.528 281 T N 0.219 114.888 114.554 0.191 0.000 2.746 281 T HA -0.265 4.084 4.350 -0.002 0.000 0.267 281 T C 1.704 176.437 174.700 0.054 0.000 1.039 281 T CA 1.656 63.804 62.100 0.080 0.000 1.142 281 T CB -0.322 68.563 68.868 0.028 0.000 0.866 281 T HN 0.124 nan 8.240 nan 0.000 0.444 282 K N 0.041 120.470 120.400 0.049 0.000 2.032 282 K HA -0.196 4.123 4.320 -0.002 0.000 0.209 282 K C 2.190 178.831 176.600 0.069 0.000 1.048 282 K CA 1.545 57.850 56.287 0.031 0.000 0.927 282 K CB -0.380 32.121 32.500 0.002 0.000 0.712 282 K HN 0.474 nan 8.250 nan 0.000 0.441 283 Y N 0.965 121.270 120.300 0.009 0.000 2.145 283 Y HA -0.323 4.226 4.550 -0.002 0.000 0.286 283 Y C 2.342 178.316 175.900 0.123 0.000 1.145 283 Y CA 1.839 59.972 58.100 0.056 0.000 1.148 283 Y CB -0.421 38.083 38.460 0.073 0.000 0.981 283 Y HN 0.194 nan 8.280 nan 0.000 0.507 284 C N 1.081 120.387 119.300 0.010 0.000 2.413 284 C HA -0.208 4.251 4.460 -0.002 0.000 0.276 284 C C 2.165 177.136 174.990 -0.033 0.000 1.248 284 C CA 1.443 60.435 59.018 -0.043 0.000 1.742 284 C CB -1.351 26.340 27.740 -0.082 0.000 2.017 284 C HN 0.614 nan 8.230 nan 0.000 0.481 285 N N -0.016 118.653 118.700 -0.052 0.000 2.571 285 N HA -0.072 4.667 4.740 -0.002 0.000 0.189 285 N C 1.479 176.978 175.510 -0.018 0.000 1.154 285 N CA 0.722 53.761 53.050 -0.020 0.000 0.907 285 N CB -0.341 38.129 38.487 -0.028 0.000 0.977 285 N HN 0.515 nan 8.380 nan 0.000 0.449 286 T N -0.194 114.316 114.554 -0.073 0.000 3.044 286 T HA 0.260 4.608 4.350 -0.002 0.000 0.250 286 T C 0.698 175.354 174.700 -0.072 0.000 1.081 286 T CA -0.093 61.962 62.100 -0.074 0.000 1.040 286 T CB 0.224 69.037 68.868 -0.093 0.000 0.962 286 T HN 0.012 nan 8.240 nan 0.000 0.506 287 L N 2.124 123.312 121.223 -0.057 0.000 2.421 287 L HA 0.447 4.786 4.340 -0.002 0.000 0.263 287 L C 0.446 177.351 176.870 0.058 0.000 1.122 287 L CA -1.157 53.692 54.840 0.015 0.000 0.804 287 L CB 0.389 42.482 42.059 0.056 0.000 1.150 287 L HN 0.046 nan 8.230 nan 0.000 0.457 288 N N 1.713 120.398 118.700 -0.026 0.000 2.492 288 N HA -0.020 4.719 4.740 -0.002 0.000 0.260 288 N C 0.146 175.519 175.510 -0.230 0.000 1.215 288 N CA 0.065 52.947 53.050 -0.279 0.000 0.923 288 N CB 0.584 38.663 38.487 -0.681 0.000 1.092 288 N HN 0.592 nan 8.380 nan 0.000 0.448 289 N N 0.777 119.363 118.700 -0.189 0.000 2.187 289 N HA 0.079 4.818 4.740 -0.002 0.000 0.212 289 N C -0.655 174.911 175.510 0.092 0.000 1.152 289 N CA -0.387 52.699 53.050 0.059 0.000 0.872 289 N CB -0.294 38.300 38.487 0.178 0.000 1.025 289 N HN 0.412 nan 8.380 nan 0.000 0.514 290 F N 1.183 121.087 119.950 -0.077 0.000 2.866 290 F HA -0.289 4.236 4.527 -0.002 0.000 0.254 290 F C -0.029 175.725 175.800 -0.076 0.000 1.009 290 F CA 0.238 58.170 58.000 -0.114 0.000 0.907 290 F CB -2.409 36.463 39.000 -0.214 0.000 0.859 290 F HN 0.212 nan 8.300 nan 0.000 0.842 291 N N -0.738 117.985 118.700 0.039 0.000 2.740 291 N HA -0.203 4.536 4.740 -0.002 0.000 0.248 291 N C 1.126 176.673 175.510 0.061 0.000 1.062 291 N CA 1.597 54.669 53.050 0.036 0.000 0.704 291 N CB -1.231 37.271 38.487 0.025 0.000 0.968 291 N HN 1.497 nan 8.380 nan 0.000 0.547 292 G N -0.843 108.011 108.800 0.090 0.000 2.148 292 G HA2 -0.372 3.587 3.960 -0.002 0.000 0.254 292 G HA3 -0.372 3.587 3.960 -0.002 0.000 0.254 292 G C 0.876 175.855 174.900 0.132 0.000 0.981 292 G CA 0.912 46.079 45.100 0.111 0.000 0.670 292 G HN 0.543 nan 8.290 nan 0.000 0.528 293 K N 0.145 120.632 120.400 0.144 0.000 2.314 293 K HA 0.475 4.794 4.320 -0.002 0.000 0.198 293 K C 1.713 178.476 176.600 0.272 0.000 1.045 293 K CA 0.481 56.852 56.287 0.141 0.000 0.988 293 K CB 0.230 32.736 32.500 0.010 0.000 0.783 293 K HN 0.676 nan 8.250 nan 0.000 0.484 294 A N 3.331 126.310 122.820 0.265 0.000 2.580 294 A HA -0.071 4.248 4.320 -0.002 0.000 0.244 294 A C 0.080 177.780 177.584 0.193 0.000 1.045 294 A CA 0.231 52.346 52.037 0.130 0.000 0.761 294 A CB -0.505 18.502 19.000 0.013 0.000 0.962 294 A HN 0.554 nan 8.150 nan 0.000 0.512 295 N N 0.384 119.094 118.700 0.016 0.000 2.741 295 N HA 0.431 5.170 4.740 -0.002 0.000 0.310 295 N C 1.144 176.751 175.510 0.161 0.000 1.295 295 N CA -0.179 52.927 53.050 0.095 0.000 0.893 295 N CB 0.988 39.486 38.487 0.018 0.000 1.247 295 N HN 0.524 nan 8.380 nan 0.000 0.596 296 S N 0.007 115.791 115.700 0.141 0.000 2.359 296 S HA -0.215 4.254 4.470 -0.002 0.000 0.224 296 S C 1.820 176.457 174.600 0.061 0.000 1.035 296 S CA 0.830 59.114 58.200 0.139 0.000 1.018 296 S CB -0.652 62.588 63.200 0.067 0.000 0.876 296 S HN 0.537 nan 8.310 nan 0.000 0.448 297 L N 0.565 121.763 121.223 -0.042 0.000 2.131 297 L HA 0.038 4.377 4.340 -0.002 0.000 0.210 297 L C 2.253 179.088 176.870 -0.059 0.000 1.092 297 L CA 1.606 56.360 54.840 -0.142 0.000 0.759 297 L CB -1.223 40.595 42.059 -0.403 0.000 0.903 297 L HN 0.503 nan 8.230 nan 0.000 0.435 298 Y N -1.193 118.986 120.300 -0.203 0.000 2.163 298 Y HA -0.294 4.255 4.550 -0.002 0.000 0.288 298 Y C 2.189 177.981 175.900 -0.181 0.000 1.136 298 Y CA 1.927 59.871 58.100 -0.259 0.000 1.147 298 Y CB -0.655 37.420 38.460 -0.642 0.000 0.987 298 Y HN 0.235 nan 8.280 nan 0.000 0.509 299 Y N 0.668 120.890 120.300 -0.129 0.000 2.200 299 Y HA -0.202 4.347 4.550 -0.002 0.000 0.290 299 Y C 2.763 178.553 175.900 -0.184 0.000 1.137 299 Y CA 1.699 59.675 58.100 -0.207 0.000 1.163 299 Y CB -1.038 37.398 38.460 -0.039 0.000 0.988 299 Y HN 0.322 nan 8.280 nan 0.000 0.518 300 N N -0.332 118.368 118.700 -0.001 0.000 2.104 300 N HA -0.187 4.552 4.740 -0.002 0.000 0.190 300 N C 1.824 177.235 175.510 -0.165 0.000 1.024 300 N CA 1.562 54.555 53.050 -0.095 0.000 0.853 300 N CB -0.032 38.411 38.487 -0.074 0.000 1.008 300 N HN 0.246 nan 8.380 nan 0.000 0.424 301 S N 0.650 116.278 115.700 -0.119 0.000 2.356 301 S HA -0.076 4.392 4.470 -0.002 0.000 0.223 301 S C 2.013 176.514 174.600 -0.165 0.000 1.032 301 S CA 0.983 59.117 58.200 -0.111 0.000 1.005 301 S CB -0.118 63.160 63.200 0.130 0.000 0.867 301 S HN 0.347 nan 8.310 nan 0.000 0.449 302 M N 0.980 120.473 119.600 -0.179 0.000 2.159 302 M HA 0.041 4.520 4.480 -0.002 0.000 0.263 302 M C 2.094 178.450 176.300 0.093 0.000 1.063 302 M CA 1.379 56.623 55.300 -0.093 0.000 1.110 302 M CB -1.359 31.154 32.600 -0.146 0.000 1.374 302 M HN 0.356 nan 8.290 nan 0.000 0.411 303 M N -0.728 118.885 119.600 0.023 0.000 2.132 303 M HA -0.175 4.304 4.480 -0.002 0.000 0.263 303 M C 2.217 178.413 176.300 -0.172 0.000 1.065 303 M CA 1.462 56.706 55.300 -0.094 0.000 1.122 303 M CB -0.531 31.804 32.600 -0.441 0.000 1.365 303 M HN 0.161 nan 8.290 nan 0.000 0.411 304 I N 0.512 120.951 120.570 -0.218 0.000 2.208 304 I HA -0.314 3.854 4.170 -0.002 0.000 0.245 304 I C 2.295 178.377 176.117 -0.059 0.000 1.097 304 I CA 1.332 62.508 61.300 -0.207 0.000 1.363 304 I CB -0.362 37.398 38.000 -0.399 0.000 1.051 304 I HN 0.296 nan 8.210 nan 0.000 0.413 305 L N 0.054 121.246 121.223 -0.051 0.000 2.056 305 L HA -0.197 4.142 4.340 -0.002 0.000 0.207 305 L C 2.638 179.730 176.870 0.369 0.000 1.078 305 L CA 1.072 55.927 54.840 0.024 0.000 0.749 305 L CB -0.698 41.160 42.059 -0.335 0.000 0.901 305 L HN 0.166 nan 8.230 nan 0.000 0.433 306 K N 0.763 121.414 120.400 0.419 0.000 2.103 306 K HA -0.118 4.201 4.320 -0.002 0.000 0.207 306 K C 1.817 178.661 176.600 0.406 0.000 1.048 306 K CA 1.565 58.146 56.287 0.490 0.000 0.930 306 K CB -0.195 32.444 32.500 0.230 0.000 0.716 306 K HN 0.283 nan 8.250 nan 0.000 0.444 307 A N -0.013 123.026 122.820 0.366 0.000 2.259 307 A HA 0.051 4.370 4.320 -0.002 0.000 0.208 307 A C 1.382 179.174 177.584 0.346 0.000 1.201 307 A CA 0.504 52.762 52.037 0.369 0.000 0.824 307 A CB 0.022 19.184 19.000 0.271 0.000 0.838 307 A HN 0.141 nan 8.150 nan 0.000 0.485 308 S N -0.307 115.573 115.700 0.299 0.000 2.572 308 S HA 0.112 4.581 4.470 -0.002 0.000 0.228 308 S C 0.378 175.015 174.600 0.062 0.000 0.963 308 S CA -0.386 57.919 58.200 0.175 0.000 0.939 308 S CB 0.058 63.373 63.200 0.192 0.000 0.804 308 S HN 0.744 nan 8.310 nan 0.000 0.480 309 E N 2.064 122.255 120.200 -0.014 0.000 2.266 309 E HA 0.190 4.539 4.350 -0.002 0.000 0.277 309 E C -0.947 175.610 176.600 -0.072 0.000 1.018 309 E CA -0.562 55.566 56.400 -0.453 0.000 0.840 309 E CB 0.772 30.069 29.700 -0.671 0.000 1.082 309 E HN 0.027 nan 8.360 nan 0.000 0.395 310 D N 2.730 123.036 120.400 -0.158 0.000 2.372 310 D HA 0.016 4.655 4.640 -0.002 0.000 0.243 310 D C 0.292 176.722 176.300 0.217 0.000 1.121 310 D CA 0.222 54.237 54.000 0.025 0.000 0.898 310 D CB 0.990 41.739 40.800 -0.084 0.000 1.202 310 D HN 0.357 nan 8.370 nan 0.000 0.428 311 K N 1.112 121.767 120.400 0.425 0.000 2.404 311 K HA 0.073 4.392 4.320 -0.002 0.000 0.194 311 K C 0.880 177.608 176.600 0.213 0.000 1.023 311 K CA 0.333 56.877 56.287 0.428 0.000 1.094 311 K CB 0.515 33.239 32.500 0.374 0.000 0.841 311 K HN 0.384 nan 8.250 nan 0.000 0.523 312 T N 0.150 114.778 114.554 0.122 0.000 3.087 312 T HA 0.062 4.411 4.350 -0.002 0.000 0.237 312 T C 0.590 175.289 174.700 -0.002 0.000 0.990 312 T CA 0.111 62.233 62.100 0.037 0.000 1.160 312 T CB 0.198 69.092 68.868 0.044 0.000 0.923 312 T HN 0.055 nan 8.240 nan 0.000 0.442 313 N N 3.128 121.839 118.700 0.019 0.000 2.918 313 N HA 0.199 4.938 4.740 -0.002 0.000 0.247 313 N C -0.704 174.798 175.510 -0.015 0.000 1.117 313 N CA 0.052 53.124 53.050 0.038 0.000 1.005 313 N CB 0.624 39.167 38.487 0.094 0.000 1.297 313 N HN 0.402 nan 8.380 nan 0.000 0.513 314 K N -0.293 120.082 120.400 -0.042 0.000 2.436 314 K HA 0.091 4.410 4.320 -0.002 0.000 0.275 314 K C 1.163 177.738 176.600 -0.041 0.000 0.999 314 K CA 0.483 56.723 56.287 -0.079 0.000 0.980 314 K CB 0.552 32.965 32.500 -0.145 0.000 0.919 314 K HN 0.616 nan 8.250 nan 0.000 0.484 315 G N 0.855 109.578 108.800 -0.129 0.000 2.217 315 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.246 315 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.246 315 G C 0.188 174.860 174.900 -0.379 0.000 0.990 315 G CA 0.023 45.098 45.100 -0.042 0.000 0.627 315 G HN 0.794 nan 8.290 nan 0.000 0.522 316 A N 0.580 122.993 122.820 -0.680 0.000 2.671 316 A HA 0.661 4.979 4.320 -0.002 0.000 0.306 316 A C -0.326 176.912 177.584 -0.575 0.000 1.473 316 A CA -0.188 51.301 52.037 -0.914 0.000 1.155 316 A CB -0.304 18.270 19.000 -0.710 0.000 1.123 316 A HN 0.523 nan 8.150 nan 0.000 0.545 317 Y N 2.466 122.634 120.300 -0.220 0.000 2.326 317 Y HA 0.436 4.985 4.550 -0.002 0.000 0.337 317 Y C 0.840 176.710 175.900 -0.051 0.000 1.023 317 Y CA -0.567 57.499 58.100 -0.058 0.000 1.143 317 Y CB 0.947 39.442 38.460 0.058 0.000 1.183 317 Y HN 0.696 nan 8.280 nan 0.000 0.485 318 I N -0.256 120.341 120.570 0.044 0.000 2.970 318 I HA 0.600 4.769 4.170 -0.002 0.000 0.310 318 I C 0.994 177.184 176.117 0.121 0.000 1.010 318 I CA -0.555 60.763 61.300 0.030 0.000 1.228 318 I CB 1.295 39.223 38.000 -0.119 0.000 1.433 318 I HN 0.624 nan 8.210 nan 0.000 0.573 319 A N 2.560 125.495 122.820 0.192 0.000 1.929 319 A HA 0.110 4.429 4.320 -0.002 0.000 0.216 319 A C 1.259 178.933 177.584 0.150 0.000 1.176 319 A CA 1.394 53.563 52.037 0.220 0.000 0.628 319 A CB -0.347 18.781 19.000 0.214 0.000 0.816 319 A HN 0.828 nan 8.150 nan 0.000 0.444 320 S N -2.248 113.469 115.700 0.029 0.000 2.560 320 S HA 0.402 4.871 4.470 -0.002 0.000 0.283 320 S C -1.360 173.020 174.600 -0.367 0.000 1.141 320 S CA -0.618 57.506 58.200 -0.128 0.000 0.902 320 S CB 0.968 64.065 63.200 -0.173 0.000 1.104 320 S HN 0.494 nan 8.310 nan 0.000 0.454 321 L N 4.905 125.920 121.223 -0.347 0.000 2.727 321 L HA 0.564 4.903 4.340 -0.002 0.000 0.237 321 L C -0.036 176.701 176.870 -0.221 0.000 1.370 321 L CA 0.569 55.148 54.840 -0.434 0.000 1.248 321 L CB -0.925 40.919 42.059 -0.357 0.000 1.556 321 L HN 0.709 nan 8.230 nan 0.000 0.420 322 S N -0.297 115.254 115.700 -0.248 0.000 2.656 322 S HA 0.668 5.137 4.470 -0.002 0.000 0.273 322 S C -0.611 173.966 174.600 -0.037 0.000 1.168 322 S CA -0.841 57.299 58.200 -0.100 0.000 0.817 322 S CB 1.282 64.350 63.200 -0.221 0.000 1.146 322 S HN 0.068 nan 8.310 nan 0.000 0.475 323 I N 2.271 122.812 120.570 -0.050 0.000 2.595 323 I HA 0.339 4.508 4.170 -0.002 0.000 0.275 323 I C -2.486 173.571 176.117 -0.099 0.000 1.092 323 I CA -2.312 58.965 61.300 -0.037 0.000 1.145 323 I CB 1.834 39.757 38.000 -0.128 0.000 1.276 323 I HN 0.462 nan 8.210 nan 0.000 0.497 324 P HA -0.211 nan 4.420 nan 0.000 0.261 324 P C -0.018 177.195 177.300 -0.145 0.000 1.165 324 P CA 0.590 63.362 63.100 -0.546 0.000 0.759 324 P CB 0.291 31.520 31.700 -0.784 0.000 0.772 325 W N 1.309 122.586 121.300 -0.039 0.000 5.271 325 W HA -0.163 4.496 4.660 -0.002 0.000 0.364 325 W C 1.404 177.951 176.519 0.047 0.000 1.342 325 W CA 0.784 58.126 57.345 -0.005 0.000 0.899 325 W CB -2.784 26.661 29.460 -0.026 0.000 2.450 325 W HN 0.634 nan 8.180 nan 0.000 1.508 326 G N 0.568 109.483 108.800 0.191 0.000 2.507 326 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.221 326 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.221 326 G C 1.275 176.350 174.900 0.291 0.000 1.119 326 G CA 1.708 46.980 45.100 0.286 0.000 0.751 326 G HN 0.375 nan 8.290 nan 0.000 0.574 327 D N 0.726 121.260 120.400 0.223 0.000 2.190 327 D HA -0.044 4.594 4.640 -0.002 0.000 0.200 327 D C 2.429 178.859 176.300 0.217 0.000 0.992 327 D CA 1.526 55.644 54.000 0.198 0.000 0.854 327 D CB -0.643 40.266 40.800 0.182 0.000 0.936 327 D HN 0.256 nan 8.370 nan 0.000 0.462 328 G N -0.948 107.991 108.800 0.230 0.000 3.088 328 G HA2 0.036 3.995 3.960 -0.002 0.000 0.217 328 G HA3 0.036 3.995 3.960 -0.002 0.000 0.217 328 G C 0.375 175.408 174.900 0.222 0.000 1.159 328 G CA -0.295 44.963 45.100 0.263 0.000 0.760 328 G HN 0.213 nan 8.290 nan 0.000 0.550 329 Q N 0.646 120.591 119.800 0.241 0.000 2.278 329 Q HA 0.304 4.643 4.340 -0.002 0.000 0.257 329 Q C -0.087 176.085 176.000 0.287 0.000 0.928 329 Q CA -0.609 55.367 55.803 0.288 0.000 0.932 329 Q CB 1.956 30.923 28.738 0.382 0.000 1.221 329 Q HN 0.190 nan 8.270 nan 0.000 0.434 330 R N 2.170 122.810 120.500 0.233 0.000 2.623 330 R HA -0.074 4.264 4.340 -0.002 0.000 0.271 330 R C 0.911 177.307 176.300 0.159 0.000 1.043 330 R CA 0.063 56.254 56.100 0.152 0.000 1.083 330 R CB 0.517 30.896 30.300 0.132 0.000 0.974 330 R HN 0.714 nan 8.270 nan 0.000 0.436 331 D N 2.109 122.468 120.400 -0.068 0.000 2.384 331 D HA -0.167 4.472 4.640 -0.002 0.000 0.222 331 D C -0.225 176.104 176.300 0.048 0.000 0.976 331 D CA 0.531 54.347 54.000 -0.306 0.000 0.915 331 D CB -0.160 40.243 40.800 -0.661 0.000 0.896 331 D HN 0.568 nan 8.370 nan 0.000 0.523 332 D N 0.582 121.072 120.400 0.150 0.000 2.249 332 D HA 0.087 4.726 4.640 -0.002 0.000 0.246 332 D C -0.123 176.335 176.300 0.263 0.000 1.114 332 D CA -0.771 53.334 54.000 0.176 0.000 0.854 332 D CB 0.590 41.451 40.800 0.101 0.000 1.132 332 D HN -0.139 nan 8.370 nan 0.000 0.461 333 N N 1.844 120.697 118.700 0.255 0.000 2.601 333 N HA -0.201 4.538 4.740 -0.002 0.000 0.298 333 N C -1.495 174.140 175.510 0.207 0.000 1.227 333 N CA 0.997 54.178 53.050 0.219 0.000 0.732 333 N CB -0.489 38.108 38.487 0.182 0.000 0.964 333 N HN 0.483 nan 8.380 nan 0.000 0.549 334 T N 1.429 116.061 114.554 0.131 0.000 2.881 334 T HA 0.747 5.096 4.350 -0.002 0.000 0.290 334 T C 0.642 175.217 174.700 -0.209 0.000 1.000 334 T CA -0.165 61.928 62.100 -0.011 0.000 0.978 334 T CB 2.049 70.877 68.868 -0.066 0.000 0.997 334 T HN 0.629 nan 8.240 nan 0.000 0.443 335 G N 0.634 109.377 108.800 -0.095 0.000 4.529 335 G HA2 0.383 4.341 3.960 -0.002 0.000 0.230 335 G HA3 0.383 4.341 3.960 -0.002 0.000 0.230 335 G C 0.829 175.759 174.900 0.049 0.000 3.287 335 G CA 0.038 45.094 45.100 -0.073 0.000 0.646 335 G HN 0.932 nan 8.290 nan 0.000 0.205 336 G N 0.507 109.375 108.800 0.114 0.000 2.421 336 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.216 336 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.216 336 G C 1.171 176.134 174.900 0.105 0.000 1.171 336 G CA 1.071 46.192 45.100 0.035 0.000 0.775 336 G HN 0.434 nan 8.290 nan 0.000 0.543 337 Y N 0.286 120.667 120.300 0.136 0.000 2.529 337 Y HA 0.196 4.745 4.550 -0.002 0.000 0.290 337 Y C 1.492 177.356 175.900 -0.060 0.000 1.177 337 Y CA 0.037 58.198 58.100 0.101 0.000 1.305 337 Y CB 0.056 38.469 38.460 -0.078 0.000 1.047 337 Y HN 0.304 nan 8.280 nan 0.000 0.522 338 H N -0.518 118.564 119.070 0.021 0.000 2.610 338 H HA 0.294 4.849 4.556 -0.002 0.000 0.302 338 H C -0.143 175.065 175.328 -0.199 0.000 1.063 338 H CA 0.008 55.996 56.048 -0.099 0.000 1.159 338 H CB -0.400 29.293 29.762 -0.116 0.000 1.427 338 H HN 0.151 nan 8.280 nan 0.000 0.553 339 L N -0.307 120.804 121.223 -0.187 0.000 2.304 339 L HA 0.487 4.826 4.340 -0.002 0.000 0.268 339 L C -0.305 176.372 176.870 -0.322 0.000 1.010 339 L CA -1.397 53.143 54.840 -0.500 0.000 0.813 339 L CB 1.966 43.349 42.059 -1.128 0.000 1.315 339 L HN -0.104 nan 8.230 nan 0.000 0.445 340 V N 0.041 119.735 119.914 -0.366 0.000 2.370 340 V HA 0.316 4.435 4.120 -0.002 0.000 0.283 340 V C -0.814 175.176 176.094 -0.173 0.000 1.023 340 V CA -0.498 61.728 62.300 -0.123 0.000 0.857 340 V CB 1.290 33.083 31.823 -0.050 0.000 0.985 340 V HN 0.500 nan 8.190 nan 0.000 0.443 341 W N 2.671 123.963 121.300 -0.012 0.000 2.478 341 W HA 0.263 4.921 4.660 -0.002 0.000 0.318 341 W C 1.443 177.967 176.519 0.007 0.000 1.062 341 W CA -0.468 56.873 57.345 -0.007 0.000 1.210 341 W CB 2.181 31.625 29.460 -0.027 0.000 1.325 341 W HN 0.687 nan 8.180 nan 0.000 0.496 342 S N 2.840 118.661 115.700 0.202 0.000 2.374 342 S HA -0.254 4.215 4.470 -0.002 0.000 0.227 342 S C 1.963 176.602 174.600 0.064 0.000 1.037 342 S CA 1.671 59.945 58.200 0.124 0.000 1.024 342 S CB -0.123 63.119 63.200 0.070 0.000 0.861 342 S HN 0.547 nan 8.310 nan 0.000 0.456 343 R N 0.414 120.932 120.500 0.031 0.000 2.070 343 R HA -0.117 4.222 4.340 -0.002 0.000 0.232 343 R C 1.734 177.891 176.300 -0.237 0.000 1.138 343 R CA 2.256 58.261 56.100 -0.158 0.000 0.936 343 R CB -0.661 29.523 30.300 -0.193 0.000 0.839 343 R HN 0.387 nan 8.270 nan 0.000 0.429 344 D N 0.513 120.825 120.400 -0.146 0.000 2.144 344 D HA -0.169 4.469 4.640 -0.002 0.000 0.199 344 D C 1.722 178.015 176.300 -0.011 0.000 0.984 344 D CA 0.867 54.783 54.000 -0.140 0.000 0.834 344 D CB -0.132 40.705 40.800 0.062 0.000 0.955 344 D HN 0.146 nan 8.370 nan 0.000 0.465 345 L N -0.234 121.037 121.223 0.079 0.000 2.083 345 L HA -0.145 4.194 4.340 -0.002 0.000 0.209 345 L C 2.023 178.932 176.870 0.064 0.000 1.083 345 L CA 1.494 56.402 54.840 0.113 0.000 0.752 345 L CB -0.829 41.336 42.059 0.178 0.000 0.899 345 L HN 0.128 nan 8.230 nan 0.000 0.433 346 Y N -0.551 119.669 120.300 -0.133 0.000 2.145 346 Y HA -0.285 4.264 4.550 -0.002 0.000 0.286 346 Y C 2.662 178.430 175.900 -0.220 0.000 1.145 346 Y CA 2.221 60.199 58.100 -0.204 0.000 1.148 346 Y CB -0.450 37.802 38.460 -0.348 0.000 0.981 346 Y HN 0.365 nan 8.280 nan 0.000 0.507 347 H N -1.141 117.781 119.070 -0.246 0.000 2.389 347 H HA -0.092 4.463 4.556 -0.002 0.000 0.299 347 H C 2.568 177.781 175.328 -0.191 0.000 1.081 347 H CA 1.662 57.528 56.048 -0.304 0.000 1.345 347 H CB -0.613 28.967 29.762 -0.304 0.000 1.393 347 H HN 0.345 nan 8.280 nan 0.000 0.520 348 V N 1.296 121.184 119.914 -0.043 0.000 2.343 348 V HA -0.239 3.880 4.120 -0.002 0.000 0.247 348 V C 2.826 178.813 176.094 -0.179 0.000 1.051 348 V CA 1.515 63.726 62.300 -0.149 0.000 1.036 348 V CB -1.008 30.719 31.823 -0.159 0.000 0.654 348 V HN 0.456 nan 8.190 nan 0.000 0.451 349 A N 0.437 123.224 122.820 -0.056 0.000 1.908 349 A HA -0.256 4.063 4.320 -0.002 0.000 0.218 349 A C 2.028 179.620 177.584 0.014 0.000 1.181 349 A CA 2.132 54.209 52.037 0.066 0.000 0.627 349 A CB -0.690 18.333 19.000 0.039 0.000 0.818 349 A HN 0.602 nan 8.150 nan 0.000 0.445 350 N N 0.275 118.897 118.700 -0.131 0.000 2.309 350 N HA -0.067 4.672 4.740 -0.002 0.000 0.182 350 N C 1.772 177.264 175.510 -0.031 0.000 1.018 350 N CA 1.364 54.345 53.050 -0.115 0.000 0.876 350 N CB -0.469 37.883 38.487 -0.226 0.000 0.972 350 N HN 0.509 nan 8.380 nan 0.000 0.434 351 A N 0.242 123.021 122.820 -0.067 0.000 1.897 351 A HA -0.009 4.310 4.320 -0.002 0.000 0.215 351 A C 1.872 179.442 177.584 -0.023 0.000 1.181 351 A CA 0.686 52.682 52.037 -0.068 0.000 0.620 351 A CB -0.667 18.224 19.000 -0.181 0.000 0.821 351 A HN 0.098 nan 8.150 nan 0.000 0.443 352 F N 0.367 120.322 119.950 0.008 0.000 2.134 352 F HA -0.153 4.373 4.527 -0.002 0.000 0.299 352 F C 2.187 178.011 175.800 0.041 0.000 1.097 352 F CA 0.679 58.695 58.000 0.027 0.000 1.264 352 F CB -0.392 38.600 39.000 -0.014 0.000 1.001 352 F HN 0.108 nan 8.300 nan 0.000 0.479 353 I N 0.145 120.836 120.570 0.202 0.000 2.142 353 I HA -0.281 3.888 4.170 -0.002 0.000 0.240 353 I C 2.683 178.869 176.117 0.114 0.000 1.078 353 I CA 1.580 62.951 61.300 0.117 0.000 1.343 353 I CB -1.934 36.100 38.000 0.057 0.000 1.046 353 I HN 0.072 nan 8.210 nan 0.000 0.405 354 A N 0.718 123.613 122.820 0.125 0.000 1.940 354 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 354 A C 2.429 180.170 177.584 0.261 0.000 1.176 354 A CA 2.028 54.170 52.037 0.174 0.000 0.631 354 A CB -0.722 18.382 19.000 0.172 0.000 0.814 354 A HN 0.445 nan 8.150 nan 0.000 0.446 355 A N -2.371 120.609 122.820 0.268 0.000 2.119 355 A HA 0.392 4.711 4.320 -0.002 0.000 0.216 355 A C 1.926 179.602 177.584 0.153 0.000 1.152 355 A CA 1.357 53.578 52.037 0.306 0.000 0.708 355 A CB -0.685 18.466 19.000 0.252 0.000 0.805 355 A HN 1.881 nan 8.150 nan 0.000 0.460 356 G N -0.642 108.229 108.800 0.118 0.000 2.176 356 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.232 356 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.232 356 G C 0.109 175.054 174.900 0.077 0.000 0.986 356 G CA 0.350 45.483 45.100 0.056 0.000 0.643 356 G HN 0.538 nan 8.290 nan 0.000 0.522 357 D N 1.432 121.923 120.400 0.151 0.000 2.619 357 D HA 0.457 5.095 4.640 -0.002 0.000 0.224 357 D C 1.768 178.120 176.300 0.087 0.000 1.133 357 D CA 0.103 54.191 54.000 0.147 0.000 1.017 357 D CB 0.361 41.336 40.800 0.292 0.000 1.077 357 D HN 0.118 nan 8.370 nan 0.000 0.503 358 V N 2.013 121.958 119.914 0.052 0.000 2.515 358 V HA -0.190 3.928 4.120 -0.002 0.000 0.250 358 V C 1.742 177.834 176.094 -0.003 0.000 1.058 358 V CA 1.325 63.642 62.300 0.027 0.000 1.064 358 V CB -0.272 31.558 31.823 0.013 0.000 0.675 358 V HN 0.373 nan 8.190 nan 0.000 0.461 359 D N 0.336 120.729 120.400 -0.010 0.000 2.123 359 D HA -0.128 4.511 4.640 -0.002 0.000 0.196 359 D C 2.442 178.705 176.300 -0.061 0.000 0.992 359 D CA 1.735 55.723 54.000 -0.019 0.000 0.833 359 D CB -0.261 40.539 40.800 0.001 0.000 0.954 359 D HN 0.391 nan 8.370 nan 0.000 0.455 360 S N 0.289 115.878 115.700 -0.184 0.000 2.383 360 S HA -0.089 4.380 4.470 -0.002 0.000 0.227 360 S C 2.077 176.533 174.600 -0.239 0.000 1.026 360 S CA 0.975 58.946 58.200 -0.381 0.000 0.981 360 S CB -0.148 62.325 63.200 -1.211 0.000 0.818 360 S HN 0.368 nan 8.310 nan 0.000 0.472 361 A N 2.521 125.266 122.820 -0.126 0.000 1.898 361 A HA -0.112 4.207 4.320 -0.002 0.000 0.216 361 A C 1.972 179.588 177.584 0.054 0.000 1.181 361 A CA 1.322 53.383 52.037 0.039 0.000 0.620 361 A CB -0.592 18.459 19.000 0.083 0.000 0.819 361 A HN 0.418 nan 8.150 nan 0.000 0.442 362 N N -0.588 118.129 118.700 0.029 0.000 2.188 362 N HA -0.112 4.627 4.740 -0.002 0.000 0.184 362 N C 1.882 177.431 175.510 0.066 0.000 1.018 362 N CA 1.063 54.136 53.050 0.040 0.000 0.858 362 N CB -0.321 38.176 38.487 0.016 0.000 0.989 362 N HN 0.530 nan 8.380 nan 0.000 0.426 363 R N 0.718 121.259 120.500 0.069 0.000 2.092 363 R HA -0.066 4.273 4.340 -0.002 0.000 0.231 363 R C 2.404 178.808 176.300 0.173 0.000 1.119 363 R CA 1.481 57.640 56.100 0.098 0.000 0.970 363 R CB -0.028 30.323 30.300 0.086 0.000 0.864 363 R HN 0.277 nan 8.270 nan 0.000 0.440 364 S N 0.343 116.174 115.700 0.218 0.000 2.383 364 S HA -0.142 4.327 4.470 -0.002 0.000 0.227 364 S C 1.935 176.685 174.600 0.250 0.000 1.026 364 S CA 0.866 59.239 58.200 0.287 0.000 0.981 364 S CB -0.326 63.053 63.200 0.298 0.000 0.818 364 S HN 0.280 nan 8.310 nan 0.000 0.472 365 L N 2.453 123.781 121.223 0.174 0.000 2.046 365 L HA -0.010 4.329 4.340 -0.002 0.000 0.208 365 L C 1.765 178.712 176.870 0.129 0.000 1.077 365 L CA 2.047 56.973 54.840 0.144 0.000 0.747 365 L CB -1.016 41.105 42.059 0.103 0.000 0.896 365 L HN 0.179 nan 8.230 nan 0.000 0.432 366 D N -1.750 118.721 120.400 0.119 0.000 2.219 366 D HA -0.237 4.402 4.640 -0.002 0.000 0.205 366 D C 1.933 178.293 176.300 0.100 0.000 0.970 366 D CA 1.210 55.262 54.000 0.086 0.000 0.851 366 D CB -0.083 40.758 40.800 0.067 0.000 0.943 366 D HN 0.501 nan 8.370 nan 0.000 0.488 367 Y N 1.484 121.809 120.300 0.041 0.000 2.163 367 Y HA -0.144 4.405 4.550 -0.002 0.000 0.288 367 Y C 2.191 178.109 175.900 0.030 0.000 1.136 367 Y CA 1.278 59.398 58.100 0.033 0.000 1.147 367 Y CB -0.403 38.089 38.460 0.053 0.000 0.987 367 Y HN -0.122 nan 8.280 nan 0.000 0.509 368 L N -0.122 121.168 121.223 0.111 0.000 2.083 368 L HA -0.215 4.124 4.340 -0.002 0.000 0.209 368 L C 2.779 179.611 176.870 -0.063 0.000 1.083 368 L CA 1.116 55.963 54.840 0.012 0.000 0.752 368 L CB -0.982 41.143 42.059 0.110 0.000 0.899 368 L HN 0.357 nan 8.230 nan 0.000 0.433 369 A N -0.411 122.393 122.820 -0.027 0.000 1.933 369 A HA -0.207 4.112 4.320 -0.002 0.000 0.218 369 A C 2.406 179.941 177.584 -0.082 0.000 1.175 369 A CA 1.484 53.499 52.037 -0.036 0.000 0.628 369 A CB -0.345 18.652 19.000 -0.004 0.000 0.814 369 A HN 0.145 nan 8.150 nan 0.000 0.444 370 K N 0.091 120.414 120.400 -0.128 0.000 2.097 370 K HA -0.033 4.285 4.320 -0.002 0.000 0.205 370 K C 1.893 178.373 176.600 -0.199 0.000 1.050 370 K CA 1.431 57.622 56.287 -0.160 0.000 0.938 370 K CB -0.584 31.796 32.500 -0.201 0.000 0.718 370 K HN 0.295 nan 8.250 nan 0.000 0.442 371 V N 0.676 120.429 119.914 -0.268 0.000 2.307 371 V HA -0.193 3.926 4.120 -0.002 0.000 0.245 371 V C 2.476 178.486 176.094 -0.141 0.000 1.045 371 V CA 1.373 63.537 62.300 -0.226 0.000 1.024 371 V CB -0.260 31.419 31.823 -0.240 0.000 0.651 371 V HN 0.002 nan 8.190 nan 0.000 0.449 372 V N 0.053 119.896 119.914 -0.118 0.000 2.515 372 V HA -0.259 3.860 4.120 -0.002 0.000 0.250 372 V C 2.404 178.440 176.094 -0.097 0.000 1.058 372 V CA 2.143 64.381 62.300 -0.102 0.000 1.064 372 V CB -0.710 31.066 31.823 -0.078 0.000 0.675 372 V HN 0.559 nan 8.190 nan 0.000 0.461 373 K N -0.007 120.340 120.400 -0.089 0.000 2.097 373 K HA -0.209 4.110 4.320 -0.002 0.000 0.206 373 K C 1.539 178.094 176.600 -0.074 0.000 1.049 373 K CA 1.790 58.033 56.287 -0.074 0.000 0.933 373 K CB -0.095 32.366 32.500 -0.065 0.000 0.717 373 K HN 0.460 nan 8.250 nan 0.000 0.442 374 D N -0.248 120.102 120.400 -0.084 0.000 2.346 374 D HA -0.009 4.630 4.640 -0.002 0.000 0.206 374 D C 0.961 177.216 176.300 -0.075 0.000 1.001 374 D CA 0.532 54.488 54.000 -0.073 0.000 0.871 374 D CB 0.262 41.020 40.800 -0.071 0.000 0.943 374 D HN 0.271 nan 8.370 nan 0.000 0.518 375 N N -0.556 118.087 118.700 -0.095 0.000 2.239 375 N HA 0.066 4.805 4.740 -0.002 0.000 0.208 375 N C 1.240 176.656 175.510 -0.157 0.000 1.200 375 N CA 0.661 53.644 53.050 -0.111 0.000 0.895 375 N CB 2.021 40.442 38.487 -0.109 0.000 1.085 375 N HN 0.112 nan 8.380 nan 0.000 0.500 376 G N 2.079 110.787 108.800 -0.153 0.000 2.153 376 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.252 376 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.252 376 G C 0.060 174.780 174.900 -0.300 0.000 0.994 376 G CA 1.202 46.192 45.100 -0.183 0.000 0.698 376 G HN 0.433 nan 8.290 nan 0.000 0.521 377 M N -1.656 117.772 119.600 -0.287 0.000 3.118 377 M HA 0.488 4.967 4.480 -0.002 0.000 0.276 377 M C -2.105 174.088 176.300 -0.179 0.000 1.099 377 M CA -0.921 54.164 55.300 -0.358 0.000 0.802 377 M CB 0.589 32.657 32.600 -0.886 0.000 1.618 377 M HN 0.124 nan 8.290 nan 0.000 0.535 378 I N 4.274 124.792 120.570 -0.087 0.000 2.307 378 I HA 0.430 4.599 4.170 -0.002 0.000 0.289 378 I C -2.083 174.035 176.117 0.003 0.000 1.021 378 I CA -1.608 59.678 61.300 -0.024 0.000 1.224 378 I CB 0.852 38.864 38.000 0.021 0.000 1.376 378 I HN 0.426 nan 8.210 nan 0.000 0.470 379 P HA 0.080 nan 4.420 nan 0.000 0.274 379 P C 0.666 177.989 177.300 0.038 0.000 1.246 379 P CA -0.282 62.830 63.100 0.020 0.000 0.795 379 P CB 1.157 32.864 31.700 0.013 0.000 1.006 380 Q N 1.625 121.474 119.800 0.082 0.000 2.103 380 Q HA -0.209 4.130 4.340 -0.002 0.000 0.213 380 Q C 0.399 176.386 176.000 -0.022 0.000 1.008 380 Q CA 1.888 57.763 55.803 0.121 0.000 0.879 380 Q CB -0.031 28.844 28.738 0.229 0.000 0.946 380 Q HN 0.701 nan 8.270 nan 0.000 0.413 381 N N -2.518 116.086 118.700 -0.160 0.000 2.927 381 N HA 0.323 5.062 4.740 -0.002 0.000 0.248 381 N C -1.450 173.868 175.510 -0.320 0.000 1.443 381 N CA -0.250 52.494 53.050 -0.510 0.000 0.870 381 N CB 1.825 39.510 38.487 -1.338 0.000 1.444 381 N HN 0.080 nan 8.380 nan 0.000 0.519 382 T N -3.541 110.804 114.554 -0.348 0.000 2.883 382 T HA 0.509 4.858 4.350 -0.002 0.000 0.296 382 T C -1.013 173.552 174.700 -0.226 0.000 1.117 382 T CA -0.737 61.265 62.100 -0.163 0.000 1.006 382 T CB 1.127 70.013 68.868 0.030 0.000 1.191 382 T HN 0.546 nan 8.240 nan 0.000 0.508 383 W N 0.964 122.231 121.300 -0.055 0.000 2.049 383 W HA 0.372 5.031 4.660 -0.002 0.000 0.356 383 W C 2.179 178.694 176.519 -0.008 0.000 1.323 383 W CA -0.879 56.423 57.345 -0.072 0.000 1.336 383 W CB 0.278 29.725 29.460 -0.021 0.000 1.176 383 W HN 0.782 nan 8.180 nan 0.000 0.623 384 I N -0.779 119.923 120.570 0.220 0.000 2.567 384 I HA -0.241 3.928 4.170 -0.002 0.000 0.257 384 I C 1.884 178.138 176.117 0.228 0.000 1.184 384 I CA 1.774 63.146 61.300 0.120 0.000 1.451 384 I CB -0.921 37.077 38.000 -0.003 0.000 1.089 384 I HN 0.413 nan 8.210 nan 0.000 0.441 385 S N 0.973 116.803 115.700 0.217 0.000 2.474 385 S HA 0.159 4.628 4.470 -0.002 0.000 0.235 385 S C 1.814 176.509 174.600 0.159 0.000 0.997 385 S CA 0.733 59.024 58.200 0.151 0.000 0.949 385 S CB -0.227 63.012 63.200 0.065 0.000 0.766 385 S HN 0.854 nan 8.310 nan 0.000 0.517 386 G N 0.904 109.835 108.800 0.219 0.000 2.218 386 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.216 386 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.216 386 G C -0.010 174.933 174.900 0.071 0.000 0.994 386 G CA 0.049 45.185 45.100 0.061 0.000 0.637 386 G HN 0.771 nan 8.290 nan 0.000 0.505 387 K N 2.476 122.973 120.400 0.162 0.000 2.350 387 K HA 0.408 4.727 4.320 -0.002 0.000 0.279 387 K C -1.912 174.855 176.600 0.278 0.000 1.027 387 K CA -1.283 55.118 56.287 0.189 0.000 0.969 387 K CB 0.885 33.492 32.500 0.179 0.000 0.954 387 K HN 0.136 nan 8.250 nan 0.000 0.474 388 P HA -0.061 nan 4.420 nan 0.000 0.268 388 P C -1.013 176.415 177.300 0.214 0.000 1.205 388 P CA 0.159 63.341 63.100 0.137 0.000 0.771 388 P CB 0.568 32.316 31.700 0.079 0.000 0.858 389 Y N 3.751 124.006 120.300 -0.076 0.000 2.680 389 Y HA 0.301 4.850 4.550 -0.002 0.000 0.217 389 Y C 0.803 176.762 175.900 0.099 0.000 1.016 389 Y CA 0.162 58.145 58.100 -0.196 0.000 1.430 389 Y CB -0.240 37.734 38.460 -0.809 0.000 1.168 389 Y HN 0.303 nan 8.280 nan 0.000 0.486 390 W N 1.028 122.357 121.300 0.050 0.000 2.129 390 W HA 0.207 4.866 4.660 -0.002 0.000 0.349 390 W C 0.570 177.079 176.519 -0.015 0.000 1.279 390 W CA 0.028 57.366 57.345 -0.012 0.000 1.306 390 W CB 1.029 30.567 29.460 0.130 0.000 1.140 390 W HN 0.035 nan 8.180 nan 0.000 0.613 391 T N 1.347 116.017 114.554 0.193 0.000 3.228 391 T HA 0.228 4.577 4.350 -0.002 0.000 0.278 391 T C 0.374 175.100 174.700 0.044 0.000 1.014 391 T CA -0.197 61.954 62.100 0.085 0.000 0.904 391 T CB -0.728 68.161 68.868 0.035 0.000 1.110 391 T HN 0.505 nan 8.240 nan 0.000 0.541 392 G N 1.566 110.399 108.800 0.055 0.000 2.594 392 G HA2 0.444 4.402 3.960 -0.002 0.000 0.243 392 G HA3 0.444 4.402 3.960 -0.002 0.000 0.243 392 G C -0.209 174.733 174.900 0.070 0.000 1.229 392 G CA -0.387 44.734 45.100 0.036 0.000 0.843 392 G HN 0.437 nan 8.290 nan 0.000 0.578 393 I N 1.154 121.754 120.570 0.050 0.000 2.330 393 I HA 0.223 4.391 4.170 -0.002 0.000 0.286 393 I C 0.062 176.202 176.117 0.038 0.000 1.025 393 I CA -0.239 61.103 61.300 0.069 0.000 1.197 393 I CB 0.866 38.901 38.000 0.057 0.000 1.358 393 I HN 0.451 nan 8.210 nan 0.000 0.467 394 Q N 5.359 125.196 119.800 0.061 0.000 2.394 394 Q HA 0.324 4.662 4.340 -0.002 0.000 0.259 394 Q C 0.814 176.820 176.000 0.010 0.000 1.021 394 Q CA -0.611 55.207 55.803 0.026 0.000 0.805 394 Q CB 2.595 31.367 28.738 0.056 0.000 1.226 394 Q HN 0.483 nan 8.270 nan 0.000 0.476 395 L N 2.642 123.839 121.223 -0.043 0.000 2.083 395 L HA -0.208 4.130 4.340 -0.002 0.000 0.209 395 L C 1.954 178.795 176.870 -0.048 0.000 1.083 395 L CA 1.877 56.684 54.840 -0.054 0.000 0.752 395 L CB -0.796 41.198 42.059 -0.108 0.000 0.899 395 L HN 0.813 nan 8.230 nan 0.000 0.433 396 D N -0.310 120.047 120.400 -0.072 0.000 2.178 396 D HA -0.244 4.395 4.640 -0.002 0.000 0.201 396 D C 1.526 177.757 176.300 -0.116 0.000 0.980 396 D CA 1.048 54.985 54.000 -0.105 0.000 0.842 396 D CB -0.277 40.450 40.800 -0.122 0.000 0.948 396 D HN 0.426 nan 8.370 nan 0.000 0.472 397 E N -0.290 119.877 120.200 -0.055 0.000 2.347 397 E HA -0.081 4.268 4.350 -0.002 0.000 0.196 397 E C 1.949 178.541 176.600 -0.014 0.000 1.008 397 E CA 0.400 56.781 56.400 -0.033 0.000 0.852 397 E CB 0.169 29.893 29.700 0.040 0.000 0.783 397 E HN 0.344 nan 8.360 nan 0.000 0.505 398 Q N -0.392 119.416 119.800 0.014 0.000 2.269 398 Q HA 0.057 4.396 4.340 -0.002 0.000 0.201 398 Q C 1.895 177.892 176.000 -0.004 0.000 0.946 398 Q CA 0.845 56.682 55.803 0.057 0.000 0.877 398 Q CB 0.089 28.914 28.738 0.145 0.000 0.963 398 Q HN 0.199 nan 8.270 nan 0.000 0.472 399 A N 1.346 124.132 122.820 -0.057 0.000 1.903 399 A HA -0.109 4.210 4.320 -0.002 0.000 0.213 399 A C 1.661 179.141 177.584 -0.175 0.000 1.185 399 A CA 1.111 53.092 52.037 -0.095 0.000 0.628 399 A CB -0.206 18.739 19.000 -0.093 0.000 0.830 399 A HN 0.131 nan 8.150 nan 0.000 0.446 400 D N 0.236 120.448 120.400 -0.313 0.000 2.133 400 D HA -0.139 4.500 4.640 -0.002 0.000 0.195 400 D C -0.522 175.629 176.300 -0.249 0.000 0.997 400 D CA 1.901 55.543 54.000 -0.596 0.000 0.840 400 D CB -1.463 38.817 40.800 -0.868 0.000 0.947 400 D HN 0.376 nan 8.370 nan 0.000 0.452 401 P HA -0.073 nan 4.420 nan 0.000 0.218 401 P C 1.907 179.242 177.300 0.059 0.000 1.149 401 P CA 0.831 63.950 63.100 0.032 0.000 0.817 401 P CB 0.005 31.724 31.700 0.032 0.000 0.785 402 I N -0.589 119.995 120.570 0.024 0.000 2.252 402 I HA -0.187 3.982 4.170 -0.002 0.000 0.245 402 I C 2.629 178.822 176.117 0.126 0.000 1.102 402 I CA 1.210 62.549 61.300 0.065 0.000 1.385 402 I CB -0.582 37.426 38.000 0.012 0.000 1.064 402 I HN -0.179 nan 8.210 nan 0.000 0.414 403 I N 0.336 120.957 120.570 0.085 0.000 2.226 403 I HA -0.297 3.872 4.170 -0.002 0.000 0.245 403 I C 2.559 178.855 176.117 0.299 0.000 1.100 403 I CA 1.199 62.608 61.300 0.181 0.000 1.374 403 I CB -0.331 37.734 38.000 0.108 0.000 1.057 403 I HN 0.239 nan 8.210 nan 0.000 0.413 404 L N 0.450 121.845 121.223 0.287 0.000 2.046 404 L HA -0.175 4.163 4.340 -0.002 0.000 0.208 404 L C 2.584 179.555 176.870 0.169 0.000 1.077 404 L CA 1.814 56.807 54.840 0.255 0.000 0.747 404 L CB -0.621 41.595 42.059 0.261 0.000 0.896 404 L HN 0.067 nan 8.230 nan 0.000 0.432 405 S N -1.481 114.323 115.700 0.173 0.000 2.383 405 S HA -0.269 4.200 4.470 -0.002 0.000 0.229 405 S C 1.834 176.539 174.600 0.175 0.000 1.030 405 S CA 1.684 59.975 58.200 0.152 0.000 1.002 405 S CB -0.660 62.647 63.200 0.179 0.000 0.829 405 S HN 0.702 nan 8.310 nan 0.000 0.467 406 Y N 2.276 122.661 120.300 0.142 0.000 2.163 406 Y HA -0.079 4.470 4.550 -0.002 0.000 0.288 406 Y C 2.324 178.275 175.900 0.085 0.000 1.136 406 Y CA 1.391 59.593 58.100 0.170 0.000 1.147 406 Y CB -0.156 38.375 38.460 0.118 0.000 0.987 406 Y HN 0.038 nan 8.280 nan 0.000 0.509 407 R N 0.148 120.556 120.500 -0.153 0.000 2.148 407 R HA -0.078 4.261 4.340 -0.002 0.000 0.227 407 R C 1.875 178.058 176.300 -0.195 0.000 1.103 407 R CA 1.430 57.379 56.100 -0.252 0.000 0.983 407 R CB -0.298 29.989 30.300 -0.021 0.000 0.874 407 R HN 0.412 nan 8.270 nan 0.000 0.451 408 L N 0.561 121.713 121.223 -0.119 0.000 2.592 408 L HA 0.082 4.421 4.340 -0.002 0.000 0.227 408 L C 0.232 176.975 176.870 -0.211 0.000 1.127 408 L CA 0.170 54.942 54.840 -0.114 0.000 0.884 408 L CB 0.012 42.043 42.059 -0.046 0.000 1.065 408 L HN 0.099 nan 8.230 nan 0.000 0.457 409 K N 0.622 120.830 120.400 -0.321 0.000 3.035 409 K HA -0.181 4.138 4.320 -0.002 0.000 0.262 409 K C -0.172 175.913 176.600 -0.858 0.000 1.024 409 K CA 0.283 56.153 56.287 -0.695 0.000 0.748 409 K CB -0.932 31.264 32.500 -0.507 0.000 1.247 409 K HN 0.185 nan 8.250 nan 0.000 0.482 410 R N 1.020 121.272 120.500 -0.413 0.000 4.138 410 R HA 0.052 4.391 4.340 -0.002 0.000 0.206 410 R C 0.296 176.567 176.300 -0.049 0.000 1.667 410 R CA 0.026 56.004 56.100 -0.204 0.000 1.481 410 R CB -0.287 29.983 30.300 -0.050 0.000 1.388 410 R HN 0.248 nan 8.270 nan 0.000 0.776 411 Y N 0.357 120.716 120.300 0.098 0.000 2.574 411 Y HA -0.144 4.405 4.550 -0.002 0.000 0.294 411 Y C 1.821 177.786 175.900 0.107 0.000 1.142 411 Y CA 0.278 58.443 58.100 0.107 0.000 1.314 411 Y CB -0.305 38.191 38.460 0.060 0.000 0.991 411 Y HN 0.369 nan 8.280 nan 0.000 0.555 412 D N -0.108 120.398 120.400 0.175 0.000 2.348 412 D HA -0.111 4.527 4.640 -0.002 0.000 0.216 412 D C 1.159 177.540 176.300 0.135 0.000 0.970 412 D CA 0.713 54.793 54.000 0.133 0.000 0.889 412 D CB -0.282 40.561 40.800 0.072 0.000 0.912 412 D HN 0.384 nan 8.370 nan 0.000 0.524 413 L N -0.092 121.222 121.223 0.152 0.000 2.653 413 L HA 0.111 4.450 4.340 -0.002 0.000 0.231 413 L C 1.699 178.664 176.870 0.158 0.000 1.153 413 L CA -0.455 54.459 54.840 0.124 0.000 0.933 413 L CB -0.315 41.801 42.059 0.095 0.000 1.175 413 L HN -0.104 nan 8.230 nan 0.000 0.473 414 Y N 1.487 121.845 120.300 0.096 0.000 2.097 414 Y HA -0.301 4.248 4.550 -0.002 0.000 0.282 414 Y C 2.179 178.120 175.900 0.069 0.000 1.152 414 Y CA 1.836 59.992 58.100 0.093 0.000 1.136 414 Y CB 0.065 38.580 38.460 0.091 0.000 0.975 414 Y HN 0.267 nan 8.280 nan 0.000 0.498 415 D N -0.965 119.419 120.400 -0.026 0.000 2.123 415 D HA -0.134 4.505 4.640 -0.002 0.000 0.200 415 D C 2.307 178.544 176.300 -0.105 0.000 0.976 415 D CA 1.815 55.743 54.000 -0.120 0.000 0.831 415 D CB -0.335 40.473 40.800 0.013 0.000 0.974 415 D HN 0.502 nan 8.370 nan 0.000 0.469 416 S N -0.503 115.170 115.700 -0.045 0.000 2.478 416 S HA 0.032 4.501 4.470 -0.002 0.000 0.222 416 S C 1.608 176.178 174.600 -0.049 0.000 1.008 416 S CA -0.009 58.166 58.200 -0.042 0.000 0.928 416 S CB 0.354 63.544 63.200 -0.018 0.000 0.781 416 S HN 0.121 nan 8.310 nan 0.000 0.518 417 L N 0.903 122.100 121.223 -0.042 0.000 2.738 417 L HA 0.399 4.738 4.340 -0.002 0.000 0.175 417 L C 2.140 178.982 176.870 -0.046 0.000 1.125 417 L CA 0.815 55.638 54.840 -0.029 0.000 0.857 417 L CB -0.666 41.402 42.059 0.015 0.000 1.300 417 L HN 0.210 nan 8.230 nan 0.000 0.499 418 V N 1.545 121.439 119.914 -0.033 0.000 2.233 418 V HA -0.307 3.812 4.120 -0.002 0.000 0.247 418 V C 2.635 178.629 176.094 -0.166 0.000 1.050 418 V CA 2.492 64.770 62.300 -0.037 0.000 1.010 418 V CB -0.783 31.129 31.823 0.148 0.000 0.637 418 V HN 0.460 nan 8.190 nan 0.000 0.444 419 K N 0.815 120.986 120.400 -0.381 0.000 2.009 419 K HA -0.155 4.164 4.320 -0.002 0.000 0.210 419 K C 0.019 176.550 176.600 -0.114 0.000 1.049 419 K CA 1.999 58.100 56.287 -0.311 0.000 0.929 419 K CB -1.213 30.958 32.500 -0.549 0.000 0.714 419 K HN 0.451 nan 8.250 nan 0.000 0.440 420 P HA -0.181 nan 4.420 nan 0.000 0.216 420 P C 1.385 178.692 177.300 0.011 0.000 1.150 420 P CA 1.429 64.504 63.100 -0.041 0.000 0.837 420 P CB -0.033 31.627 31.700 -0.067 0.000 0.786 421 L N -0.871 120.345 121.223 -0.011 0.000 2.109 421 L HA -0.052 4.287 4.340 -0.002 0.000 0.207 421 L C 2.796 179.686 176.870 0.033 0.000 1.086 421 L CA 1.296 56.167 54.840 0.051 0.000 0.760 421 L CB -1.050 41.018 42.059 0.014 0.000 0.910 421 L HN -0.060 nan 8.230 nan 0.000 0.437 422 A N -0.013 122.740 122.820 -0.111 0.000 1.898 422 A HA -0.203 4.115 4.320 -0.002 0.000 0.216 422 A C 1.890 179.416 177.584 -0.096 0.000 1.181 422 A CA 1.786 53.647 52.037 -0.293 0.000 0.620 422 A CB -0.422 18.054 19.000 -0.873 0.000 0.819 422 A HN 0.328 nan 8.150 nan 0.000 0.442 423 D N -1.109 119.323 120.400 0.054 0.000 2.144 423 D HA -0.111 4.527 4.640 -0.002 0.000 0.200 423 D C 1.623 178.026 176.300 0.171 0.000 0.978 423 D CA 0.988 55.083 54.000 0.157 0.000 0.833 423 D CB -0.413 40.480 40.800 0.155 0.000 0.961 423 D HN 0.564 nan 8.370 nan 0.000 0.470 424 F N 1.137 121.096 119.950 0.015 0.000 2.146 424 F HA -0.118 4.408 4.527 -0.002 0.000 0.298 424 F C 2.197 178.028 175.800 0.052 0.000 1.096 424 F CA 0.903 58.918 58.000 0.024 0.000 1.275 424 F CB 0.034 39.035 39.000 0.002 0.000 1.008 424 F HN -0.166 nan 8.300 nan 0.000 0.480 425 I N 0.496 121.045 120.570 -0.034 0.000 2.179 425 I HA -0.337 3.831 4.170 -0.002 0.000 0.242 425 I C 2.243 178.430 176.117 0.116 0.000 1.088 425 I CA 1.455 62.728 61.300 -0.045 0.000 1.357 425 I CB -0.454 37.583 38.000 0.060 0.000 1.051 425 I HN 0.170 nan 8.210 nan 0.000 0.409 426 I N 0.406 121.039 120.570 0.105 0.000 2.614 426 I HA -0.262 3.906 4.170 -0.002 0.000 0.258 426 I C 2.453 178.662 176.117 0.153 0.000 1.189 426 I CA 1.207 62.597 61.300 0.150 0.000 1.462 426 I CB -0.296 37.746 38.000 0.070 0.000 1.092 426 I HN 0.198 nan 8.210 nan 0.000 0.442 427 K N 0.993 121.426 120.400 0.055 0.000 2.116 427 K HA -0.061 4.258 4.320 -0.002 0.000 0.203 427 K C 1.860 178.439 176.600 -0.035 0.000 1.052 427 K CA 1.212 57.512 56.287 0.022 0.000 0.952 427 K CB 0.183 32.700 32.500 0.027 0.000 0.729 427 K HN 0.444 nan 8.250 nan 0.000 0.446 428 I N -4.263 116.219 120.570 -0.147 0.000 4.323 428 I HA 0.291 4.460 4.170 -0.002 0.000 0.328 428 I C 0.985 176.999 176.117 -0.172 0.000 1.310 428 I CA -0.504 60.685 61.300 -0.186 0.000 1.186 428 I CB 0.317 38.109 38.000 -0.347 0.000 1.130 428 I HN -0.153 nan 8.210 nan 0.000 0.411 429 G N 2.591 111.321 108.800 -0.117 0.000 2.621 429 G HA2 0.319 4.278 3.960 -0.002 0.000 0.271 429 G HA3 0.319 4.278 3.960 -0.002 0.000 0.271 429 G C -1.570 172.999 174.900 -0.552 0.000 1.236 429 G CA -0.623 44.250 45.100 -0.377 0.000 0.958 429 G HN 0.129 nan 8.290 nan 0.000 0.512 430 P HA 0.075 nan 4.420 nan 0.000 0.245 430 P C 0.476 177.444 177.300 -0.553 0.000 1.206 430 P CA 0.337 62.686 63.100 -1.252 0.000 0.781 430 P CB 0.319 31.152 31.700 -1.445 0.000 0.994 431 K N 0.366 120.496 120.400 -0.449 0.000 2.258 431 K HA 0.248 4.567 4.320 -0.002 0.000 0.264 431 K C -0.080 176.273 176.600 -0.413 0.000 1.007 431 K CA 0.053 55.973 56.287 -0.613 0.000 0.941 431 K CB 0.379 32.419 32.500 -0.766 0.000 0.966 431 K HN -0.168 nan 8.250 nan 0.000 0.480 432 T N 1.310 115.641 114.554 -0.372 0.000 2.908 432 T HA 0.416 4.765 4.350 -0.002 0.000 0.290 432 T C 0.998 175.580 174.700 -0.196 0.000 1.034 432 T CA -0.324 61.632 62.100 -0.240 0.000 1.010 432 T CB 1.463 70.217 68.868 -0.190 0.000 1.068 432 T HN 0.667 nan 8.240 nan 0.000 0.481 433 G N 1.622 110.345 108.800 -0.128 0.000 2.422 433 G HA2 0.138 4.097 3.960 -0.002 0.000 0.218 433 G HA3 0.138 4.097 3.960 -0.002 0.000 0.218 433 G C 0.293 175.150 174.900 -0.072 0.000 1.140 433 G CA 0.811 45.857 45.100 -0.089 0.000 0.775 433 G HN 0.848 nan 8.290 nan 0.000 0.545 434 Q N -0.033 119.729 119.800 -0.064 0.000 2.426 434 Q HA 0.454 4.793 4.340 -0.002 0.000 0.278 434 Q C -1.532 174.432 176.000 -0.061 0.000 1.007 434 Q CA -1.068 54.709 55.803 -0.044 0.000 0.850 434 Q CB 1.358 30.099 28.738 0.006 0.000 1.427 434 Q HN 0.190 nan 8.270 nan 0.000 0.391 435 E N 1.573 121.727 120.200 -0.077 0.000 2.622 435 E HA 0.164 4.513 4.350 -0.002 0.000 0.255 435 E C 0.849 177.368 176.600 -0.135 0.000 1.313 435 E CA -0.463 55.858 56.400 -0.131 0.000 1.011 435 E CB 0.373 29.971 29.700 -0.169 0.000 1.173 435 E HN 0.737 nan 8.360 nan 0.000 0.601 436 R N -0.540 119.795 120.500 -0.274 0.000 2.249 436 R HA -0.071 4.268 4.340 -0.002 0.000 0.230 436 R C 1.043 177.266 176.300 -0.128 0.000 1.121 436 R CA 1.349 57.283 56.100 -0.276 0.000 0.997 436 R CB -0.453 29.596 30.300 -0.419 0.000 0.867 436 R HN 0.649 nan 8.270 nan 0.000 0.465 437 W N 1.597 122.913 121.300 0.026 0.000 3.180 437 W HA 0.142 4.801 4.660 -0.002 0.000 0.254 437 W C -0.251 176.275 176.519 0.012 0.000 1.318 437 W CA -0.503 56.847 57.345 0.008 0.000 1.608 437 W CB 0.273 29.751 29.460 0.030 0.000 1.124 437 W HN 0.174 nan 8.180 nan 0.000 0.694 438 E N 0.050 120.372 120.200 0.203 0.000 2.416 438 E HA -0.269 4.080 4.350 -0.002 0.000 0.249 438 E C 0.173 176.855 176.600 0.136 0.000 1.124 438 E CA 0.906 57.405 56.400 0.164 0.000 0.732 438 E CB -1.724 28.111 29.700 0.225 0.000 1.286 438 E HN 0.610 nan 8.360 nan 0.000 0.394 439 E N -0.466 119.804 120.200 0.116 0.000 2.467 439 E HA 0.365 4.714 4.350 -0.002 0.000 0.213 439 E C 0.645 177.270 176.600 0.043 0.000 0.823 439 E CA 0.094 56.548 56.400 0.090 0.000 1.233 439 E CB 1.245 31.018 29.700 0.123 0.000 1.233 439 E HN 0.296 nan 8.360 nan 0.000 0.585 440 I N 0.238 120.817 120.570 0.016 0.000 2.913 440 I HA 0.522 4.691 4.170 -0.002 0.000 0.302 440 I C -1.059 175.033 176.117 -0.042 0.000 1.246 440 I CA -0.920 60.376 61.300 -0.007 0.000 1.010 440 I CB 2.025 40.019 38.000 -0.010 0.000 1.259 440 I HN 0.036 nan 8.210 nan 0.000 0.434 441 G N 2.503 111.270 108.800 -0.056 0.000 2.552 441 G HA2 0.826 4.785 3.960 -0.002 0.000 0.324 441 G HA3 0.826 4.785 3.960 -0.002 0.000 0.324 441 G C -0.329 174.468 174.900 -0.172 0.000 1.217 441 G CA -0.231 44.799 45.100 -0.116 0.000 0.989 441 G HN 1.306 nan 8.290 nan 0.000 0.490 442 G N -1.596 107.023 108.800 -0.302 0.000 2.250 442 G HA2 0.127 4.085 3.960 -0.002 0.000 0.252 442 G HA3 0.127 4.085 3.960 -0.002 0.000 0.252 442 G C -1.518 173.018 174.900 -0.608 0.000 1.325 442 G CA -0.862 43.957 45.100 -0.467 0.000 1.091 442 G HN 0.731 nan 8.290 nan 0.000 0.476 443 Y N 1.194 121.395 120.300 -0.166 0.000 2.404 443 Y HA 0.648 5.197 4.550 -0.002 0.000 0.344 443 Y C 0.810 176.639 175.900 -0.118 0.000 0.970 443 Y CA 0.136 58.140 58.100 -0.160 0.000 1.180 443 Y CB 1.853 40.217 38.460 -0.160 0.000 1.138 443 Y HN 0.553 nan 8.280 nan 0.000 0.510 444 S N 5.474 121.155 115.700 -0.031 0.000 2.454 444 S HA 0.357 4.825 4.470 -0.002 0.000 0.306 444 S C -1.683 172.895 174.600 -0.036 0.000 1.100 444 S CA -2.027 56.149 58.200 -0.040 0.000 1.087 444 S CB 1.279 64.421 63.200 -0.098 0.000 1.019 444 S HN 0.408 nan 8.310 nan 0.000 0.480 445 P HA -0.065 nan 4.420 nan 0.000 0.217 445 P C 1.319 178.560 177.300 -0.098 0.000 1.150 445 P CA 1.390 64.447 63.100 -0.072 0.000 0.832 445 P CB -0.059 31.570 31.700 -0.118 0.000 0.787 446 A N -0.020 122.745 122.820 -0.091 0.000 1.877 446 A HA -0.134 4.185 4.320 -0.002 0.000 0.216 446 A C 2.384 179.905 177.584 -0.106 0.000 1.186 446 A CA 2.486 54.458 52.037 -0.109 0.000 0.620 446 A CB -1.888 17.024 19.000 -0.147 0.000 0.822 446 A HN 0.182 nan 8.150 nan 0.000 0.443 447 T N 0.155 114.640 114.554 -0.114 0.000 2.708 447 T HA -0.132 4.217 4.350 -0.002 0.000 0.266 447 T C 1.962 176.610 174.700 -0.088 0.000 1.037 447 T CA 1.747 63.780 62.100 -0.111 0.000 1.146 447 T CB -0.321 68.470 68.868 -0.129 0.000 0.865 447 T HN 0.410 nan 8.240 nan 0.000 0.435 448 M N 0.884 120.435 119.600 -0.083 0.000 2.159 448 M HA -0.044 4.434 4.480 -0.002 0.000 0.263 448 M C 2.801 179.083 176.300 -0.030 0.000 1.063 448 M CA 1.353 56.619 55.300 -0.057 0.000 1.110 448 M CB -0.483 32.084 32.600 -0.055 0.000 1.374 448 M HN 0.314 nan 8.290 nan 0.000 0.411 449 A N 0.469 123.252 122.820 -0.062 0.000 1.902 449 A HA -0.064 4.255 4.320 -0.002 0.000 0.217 449 A C 2.363 179.922 177.584 -0.042 0.000 1.181 449 A CA 1.934 53.932 52.037 -0.064 0.000 0.623 449 A CB -0.829 18.125 19.000 -0.076 0.000 0.818 449 A HN 0.498 nan 8.150 nan 0.000 0.443 450 A N -0.254 122.536 122.820 -0.050 0.000 1.930 450 A HA -0.126 4.193 4.320 -0.002 0.000 0.217 450 A C 1.903 179.468 177.584 -0.032 0.000 1.175 450 A CA 1.525 53.522 52.037 -0.066 0.000 0.627 450 A CB -0.465 18.468 19.000 -0.111 0.000 0.815 450 A HN 0.636 nan 8.150 nan 0.000 0.443 451 E N -0.348 119.862 120.200 0.018 0.000 2.072 451 E HA -0.114 4.235 4.350 -0.002 0.000 0.191 451 E C 1.975 178.656 176.600 0.135 0.000 0.985 451 E CA 1.256 57.729 56.400 0.123 0.000 0.801 451 E CB -0.250 29.603 29.700 0.254 0.000 0.750 451 E HN 0.393 nan 8.360 nan 0.000 0.452 452 V N 1.407 121.383 119.914 0.104 0.000 2.307 452 V HA -0.260 3.859 4.120 -0.002 0.000 0.245 452 V C 2.332 178.442 176.094 0.026 0.000 1.045 452 V CA 1.865 64.188 62.300 0.037 0.000 1.024 452 V CB -0.683 31.083 31.823 -0.096 0.000 0.651 452 V HN 0.316 nan 8.190 nan 0.000 0.449 453 A N 0.477 123.305 122.820 0.013 0.000 1.902 453 A HA -0.099 4.220 4.320 -0.002 0.000 0.217 453 A C 2.413 179.994 177.584 -0.005 0.000 1.181 453 A CA 1.998 54.050 52.037 0.026 0.000 0.623 453 A CB -1.249 17.764 19.000 0.021 0.000 0.818 453 A HN 0.530 nan 8.150 nan 0.000 0.443 454 G N -0.362 108.425 108.800 -0.023 0.000 2.418 454 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.217 454 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.217 454 G C 1.540 176.404 174.900 -0.061 0.000 1.158 454 G CA 0.990 46.065 45.100 -0.043 0.000 0.771 454 G HN 0.425 nan 8.290 nan 0.000 0.545 455 L N 0.359 121.544 121.223 -0.063 0.000 2.156 455 L HA -0.042 4.297 4.340 -0.002 0.000 0.208 455 L C 3.134 179.991 176.870 -0.021 0.000 1.095 455 L CA 1.268 56.041 54.840 -0.110 0.000 0.770 455 L CB -0.593 41.378 42.059 -0.145 0.000 0.914 455 L HN 0.172 nan 8.230 nan 0.000 0.439 456 T N -1.053 113.510 114.554 0.015 0.000 2.777 456 T HA -0.186 4.163 4.350 -0.002 0.000 0.266 456 T C 1.987 176.679 174.700 -0.013 0.000 1.040 456 T CA 1.488 63.610 62.100 0.037 0.000 1.141 456 T CB -0.305 68.611 68.868 0.080 0.000 0.868 456 T HN 0.395 nan 8.240 nan 0.000 0.444 457 C N 1.579 120.835 119.300 -0.073 0.000 2.435 457 C HA 0.182 4.641 4.460 -0.002 0.000 0.279 457 C C 3.167 178.212 174.990 0.091 0.000 1.321 457 C CA 0.167 59.118 59.018 -0.112 0.000 1.752 457 C CB -1.404 26.277 27.740 -0.098 0.000 1.959 457 C HN 0.644 nan 8.230 nan 0.000 0.500 458 A N 0.559 123.414 122.820 0.058 0.000 1.929 458 A HA 0.151 4.470 4.320 -0.002 0.000 0.216 458 A C 2.359 180.111 177.584 0.280 0.000 1.176 458 A CA 1.779 53.873 52.037 0.095 0.000 0.628 458 A CB -0.747 18.094 19.000 -0.264 0.000 0.816 458 A HN 0.531 nan 8.150 nan 0.000 0.444 459 A N -1.391 121.586 122.820 0.261 0.000 1.902 459 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 459 A C 2.131 179.784 177.584 0.114 0.000 1.181 459 A CA 1.622 53.807 52.037 0.248 0.000 0.623 459 A CB -0.825 18.276 19.000 0.169 0.000 0.818 459 A HN 0.704 nan 8.150 nan 0.000 0.443 460 Y N 0.495 120.792 120.300 -0.004 0.000 2.145 460 Y HA -0.182 4.367 4.550 -0.002 0.000 0.286 460 Y C 2.007 177.854 175.900 -0.089 0.000 1.145 460 Y CA 1.992 60.065 58.100 -0.045 0.000 1.148 460 Y CB -0.190 38.243 38.460 -0.044 0.000 0.981 460 Y HN 0.266 nan 8.280 nan 0.000 0.507 461 I N -0.097 120.570 120.570 0.161 0.000 2.394 461 I HA -0.261 3.908 4.170 -0.002 0.000 0.251 461 I C 2.583 178.493 176.117 -0.345 0.000 1.136 461 I CA 0.987 62.298 61.300 0.019 0.000 1.425 461 I CB -0.649 37.556 38.000 0.342 0.000 1.079 461 I HN 0.327 nan 8.210 nan 0.000 0.425 462 A N 0.580 123.228 122.820 -0.287 0.000 1.930 462 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 462 A C 2.206 179.413 177.584 -0.628 0.000 1.175 462 A CA 1.440 53.104 52.037 -0.621 0.000 0.627 462 A CB -0.436 18.519 19.000 -0.074 0.000 0.815 462 A HN 0.422 nan 8.150 nan 0.000 0.443 463 E N -0.487 119.410 120.200 -0.505 0.000 2.106 463 E HA -0.173 4.175 4.350 -0.002 0.000 0.192 463 E C 2.173 178.402 176.600 -0.618 0.000 0.984 463 E CA 0.989 57.035 56.400 -0.590 0.000 0.806 463 E CB -0.141 29.317 29.700 -0.402 0.000 0.750 463 E HN 0.540 nan 8.360 nan 0.000 0.458 464 Q N 0.551 119.966 119.800 -0.642 0.000 2.135 464 Q HA -0.095 4.243 4.340 -0.002 0.000 0.204 464 Q C 1.410 177.143 176.000 -0.444 0.000 0.981 464 Q CA 0.906 56.349 55.803 -0.601 0.000 0.856 464 Q CB -0.248 27.954 28.738 -0.893 0.000 0.902 464 Q HN 0.329 nan 8.270 nan 0.000 0.425 465 N N 0.760 119.152 118.700 -0.513 0.000 2.383 465 N HA 0.002 4.741 4.740 -0.002 0.000 0.192 465 N C -0.357 174.906 175.510 -0.412 0.000 1.141 465 N CA 0.038 52.840 53.050 -0.415 0.000 0.851 465 N CB 0.332 38.482 38.487 -0.562 0.000 0.976 465 N HN 0.206 nan 8.380 nan 0.000 0.465 466 K N 0.647 120.702 120.400 -0.575 0.000 3.129 466 K HA -0.161 4.158 4.320 -0.002 0.000 0.273 466 K C -0.572 175.595 176.600 -0.721 0.000 1.123 466 K CA 0.507 56.332 56.287 -0.769 0.000 0.800 466 K CB -1.048 31.317 32.500 -0.224 0.000 1.238 466 K HN 0.138 nan 8.250 nan 0.000 0.492 467 D N 0.095 120.103 120.400 -0.653 0.000 2.973 467 D HA 0.120 4.759 4.640 -0.002 0.000 0.263 467 D C 0.667 176.766 176.300 -0.336 0.000 1.266 467 D CA -0.454 53.347 54.000 -0.333 0.000 0.975 467 D CB -0.100 40.594 40.800 -0.177 0.000 1.032 467 D HN 0.191 nan 8.370 nan 0.000 0.510 468 Y N 0.546 120.777 120.300 -0.114 0.000 2.241 468 Y HA -0.169 4.380 4.550 -0.001 0.000 0.286 468 Y C 2.185 178.015 175.900 -0.116 0.000 1.166 468 Y CA 1.034 59.066 58.100 -0.113 0.000 1.203 468 Y CB -0.117 38.287 38.460 -0.094 0.000 0.977 468 Y HN 0.295 nan 8.280 nan 0.000 0.529 469 E N -0.218 119.999 120.200 0.028 0.000 2.051 469 E HA -0.177 4.172 4.350 -0.002 0.000 0.192 469 E C 2.344 178.851 176.600 -0.155 0.000 0.991 469 E CA 1.540 57.916 56.400 -0.040 0.000 0.799 469 E CB -0.237 29.446 29.700 -0.029 0.000 0.748 469 E HN 0.350 nan 8.360 nan 0.000 0.449 470 S N 0.605 116.171 115.700 -0.223 0.000 2.368 470 S HA -0.134 4.334 4.470 -0.002 0.000 0.224 470 S C 2.095 176.295 174.600 -0.667 0.000 1.029 470 S CA 0.857 58.737 58.200 -0.534 0.000 0.988 470 S CB -0.184 62.790 63.200 -0.376 0.000 0.838 470 S HN 0.376 nan 8.310 nan 0.000 0.462 471 A N 1.461 124.104 122.820 -0.294 0.000 1.873 471 A HA -0.266 4.052 4.320 -0.002 0.000 0.218 471 A C 2.117 179.645 177.584 -0.093 0.000 1.193 471 A CA 2.019 53.979 52.037 -0.128 0.000 0.629 471 A CB -0.885 18.050 19.000 -0.107 0.000 0.826 471 A HN 0.572 nan 8.150 nan 0.000 0.447 472 Q N -0.416 119.328 119.800 -0.092 0.000 2.084 472 Q HA -0.245 4.094 4.340 -0.002 0.000 0.202 472 Q C 2.207 178.157 176.000 -0.085 0.000 0.978 472 Q CA 2.090 57.857 55.803 -0.060 0.000 0.844 472 Q CB -0.183 28.529 28.738 -0.044 0.000 0.898 472 Q HN 0.706 nan 8.270 nan 0.000 0.426 473 K N -0.440 119.862 120.400 -0.164 0.000 2.032 473 K HA -0.200 4.118 4.320 -0.002 0.000 0.209 473 K C 1.910 178.470 176.600 -0.066 0.000 1.048 473 K CA 1.720 57.913 56.287 -0.157 0.000 0.927 473 K CB -0.347 32.002 32.500 -0.251 0.000 0.712 473 K HN 0.381 nan 8.250 nan 0.000 0.441 474 Y N 0.404 120.667 120.300 -0.063 0.000 2.145 474 Y HA -0.231 4.318 4.550 -0.002 0.000 0.286 474 Y C 2.800 178.632 175.900 -0.113 0.000 1.145 474 Y CA 0.347 58.392 58.100 -0.092 0.000 1.148 474 Y CB -0.001 38.440 38.460 -0.032 0.000 0.981 474 Y HN 0.195 nan 8.280 nan 0.000 0.507 475 Q N 0.601 120.456 119.800 0.091 0.000 2.119 475 Q HA -0.182 4.156 4.340 -0.002 0.000 0.201 475 Q C 1.935 177.932 176.000 -0.004 0.000 0.972 475 Q CA 1.284 57.112 55.803 0.040 0.000 0.847 475 Q CB -0.270 28.485 28.738 0.030 0.000 0.903 475 Q HN 0.621 nan 8.270 nan 0.000 0.433 476 E N 0.230 120.411 120.200 -0.032 0.000 2.077 476 E HA -0.208 4.141 4.350 -0.002 0.000 0.193 476 E C 1.930 178.460 176.600 -0.116 0.000 0.989 476 E CA 1.139 57.508 56.400 -0.051 0.000 0.800 476 E CB 0.084 29.753 29.700 -0.051 0.000 0.746 476 E HN 0.005 nan 8.360 nan 0.000 0.452 477 K N 0.841 121.114 120.400 -0.212 0.000 2.025 477 K HA -0.084 4.234 4.320 -0.002 0.000 0.207 477 K C 1.822 178.059 176.600 -0.605 0.000 1.049 477 K CA 1.368 57.352 56.287 -0.506 0.000 0.933 477 K CB -0.386 31.726 32.500 -0.648 0.000 0.714 477 K HN 0.099 nan 8.250 nan 0.000 0.438 478 A N 1.057 123.673 122.820 -0.339 0.000 1.883 478 A HA -0.203 4.116 4.320 -0.002 0.000 0.217 478 A C 1.773 179.356 177.584 -0.002 0.000 1.186 478 A CA 2.207 54.155 52.037 -0.148 0.000 0.624 478 A CB -0.857 18.150 19.000 0.011 0.000 0.822 478 A HN 0.422 nan 8.150 nan 0.000 0.444 479 D N -0.527 119.910 120.400 0.063 0.000 2.117 479 D HA -0.151 4.488 4.640 -0.002 0.000 0.197 479 D C 1.834 178.184 176.300 0.082 0.000 0.987 479 D CA 1.545 55.632 54.000 0.145 0.000 0.829 479 D CB -0.468 40.400 40.800 0.114 0.000 0.961 479 D HN 0.578 nan 8.370 nan 0.000 0.460 480 N N -0.209 118.507 118.700 0.028 0.000 2.058 480 N HA -0.165 4.574 4.740 -0.002 0.000 0.191 480 N C 1.574 177.213 175.510 0.214 0.000 1.037 480 N CA 1.261 54.363 53.050 0.086 0.000 0.848 480 N CB -0.267 38.254 38.487 0.057 0.000 1.021 480 N HN 0.108 nan 8.380 nan 0.000 0.422 481 W N 1.314 122.604 121.300 -0.017 0.000 2.363 481 W HA -0.006 4.653 4.660 -0.002 0.000 0.296 481 W C 2.424 178.898 176.519 -0.076 0.000 1.212 481 W CA 0.480 57.801 57.345 -0.039 0.000 1.260 481 W CB -1.279 28.160 29.460 -0.035 0.000 1.131 481 W HN 0.319 nan 8.180 nan 0.000 0.530 482 Q N 0.892 120.754 119.800 0.104 0.000 2.124 482 Q HA -0.169 4.170 4.340 -0.002 0.000 0.202 482 Q C 1.791 177.778 176.000 -0.022 0.000 0.977 482 Q CA 1.274 57.026 55.803 -0.085 0.000 0.850 482 Q CB -0.172 28.343 28.738 -0.372 0.000 0.901 482 Q HN 0.108 nan 8.270 nan 0.000 0.429 483 K N 0.289 120.710 120.400 0.036 0.000 2.439 483 K HA 0.030 4.349 4.320 -0.002 0.000 0.197 483 K C 1.875 178.492 176.600 0.028 0.000 1.041 483 K CA 0.363 56.672 56.287 0.037 0.000 0.970 483 K CB 0.183 32.714 32.500 0.051 0.000 0.773 483 K HN 0.300 nan 8.250 nan 0.000 0.479 484 L N -0.112 121.133 121.223 0.036 0.000 2.590 484 L HA 0.146 4.485 4.340 -0.002 0.000 0.227 484 L C 1.939 178.796 176.870 -0.021 0.000 1.099 484 L CA -0.054 54.784 54.840 -0.003 0.000 0.872 484 L CB -0.132 41.919 42.059 -0.014 0.000 1.088 484 L HN -0.009 nan 8.230 nan 0.000 0.479 485 I N 0.633 121.207 120.570 0.008 0.000 2.113 485 I HA -0.362 3.807 4.170 -0.002 0.000 0.242 485 I C 2.041 178.223 176.117 0.109 0.000 1.064 485 I CA 1.580 62.900 61.300 0.032 0.000 1.320 485 I CB -0.261 37.752 38.000 0.020 0.000 1.028 485 I HN 0.313 nan 8.210 nan 0.000 0.406 486 D N 0.740 121.208 120.400 0.114 0.000 2.084 486 D HA -0.163 4.476 4.640 -0.002 0.000 0.194 486 D C 1.893 178.243 176.300 0.083 0.000 0.990 486 D CA 1.303 55.379 54.000 0.126 0.000 0.826 486 D CB -0.568 40.231 40.800 -0.001 0.000 0.971 486 D HN 0.231 nan 8.370 nan 0.000 0.453 487 N N -0.271 118.439 118.700 0.016 0.000 2.364 487 N HA -0.035 4.704 4.740 -0.002 0.000 0.183 487 N C 1.577 177.045 175.510 -0.069 0.000 1.022 487 N CA 0.399 53.434 53.050 -0.024 0.000 0.883 487 N CB -0.008 38.452 38.487 -0.046 0.000 0.965 487 N HN 0.229 nan 8.380 nan 0.000 0.438 488 L N -1.382 119.790 121.223 -0.086 0.000 2.515 488 L HA 0.127 4.465 4.340 -0.002 0.000 0.223 488 L C 1.504 178.340 176.870 -0.057 0.000 1.079 488 L CA 0.961 55.693 54.840 -0.179 0.000 0.857 488 L CB 0.145 41.987 42.059 -0.361 0.000 1.050 488 L HN 0.250 nan 8.230 nan 0.000 0.476 489 T N -5.233 109.360 114.554 0.065 0.000 2.986 489 T HA 0.046 4.394 4.350 -0.002 0.000 0.264 489 T C 0.123 174.940 174.700 0.195 0.000 0.964 489 T CA -0.162 62.026 62.100 0.147 0.000 0.895 489 T CB -0.117 68.881 68.868 0.217 0.000 1.163 489 T HN 0.048 nan 8.240 nan 0.000 0.517 490 Y N 2.784 123.072 120.300 -0.019 0.000 2.425 490 Y HA 0.546 5.095 4.550 -0.002 0.000 0.347 490 Y C 0.408 176.152 175.900 -0.259 0.000 0.976 490 Y CA -0.608 57.340 58.100 -0.253 0.000 1.190 490 Y CB 0.953 39.156 38.460 -0.428 0.000 1.136 490 Y HN 0.090 nan 8.280 nan 0.000 0.517 491 T N 3.879 118.013 114.554 -0.700 0.000 2.899 491 T HA 0.238 4.587 4.350 -0.002 0.000 0.284 491 T C 0.359 174.544 174.700 -0.859 0.000 1.004 491 T CA -0.272 61.441 62.100 -0.646 0.000 1.043 491 T CB 0.805 69.309 68.868 -0.608 0.000 1.013 491 T HN 0.890 nan 8.240 nan 0.000 0.518 492 E N 1.784 121.680 120.200 -0.506 0.000 2.715 492 E HA 0.189 4.538 4.350 -0.002 0.000 0.224 492 E C 0.374 176.819 176.600 -0.259 0.000 0.962 492 E CA -0.104 56.067 56.400 -0.381 0.000 1.145 492 E CB 0.427 30.008 29.700 -0.199 0.000 1.083 492 E HN 0.617 nan 8.360 nan 0.000 0.506 493 N N 0.807 119.345 118.700 -0.270 0.000 2.433 493 N HA 0.127 4.866 4.740 -0.002 0.000 0.270 493 N C -0.196 175.222 175.510 -0.154 0.000 1.354 493 N CA -0.216 52.737 53.050 -0.162 0.000 0.889 493 N CB 0.750 39.169 38.487 -0.112 0.000 1.285 493 N HN 0.059 nan 8.380 nan 0.000 0.503 494 G N 0.765 109.421 108.800 -0.240 0.000 2.476 494 G HA2 0.231 4.190 3.960 -0.002 0.000 0.269 494 G HA3 0.231 4.190 3.960 -0.002 0.000 0.269 494 G C -1.412 173.541 174.900 0.089 0.000 1.195 494 G CA -0.868 44.170 45.100 -0.103 0.000 0.843 494 G HN 0.114 nan 8.290 nan 0.000 0.545 495 P HA 0.049 nan 4.420 nan 0.000 0.236 495 P C 0.379 177.749 177.300 0.116 0.000 1.177 495 P CA 0.315 63.482 63.100 0.111 0.000 0.773 495 P CB 0.399 32.157 31.700 0.096 0.000 0.878 496 L N -0.397 120.931 121.223 0.174 0.000 2.334 496 L HA 0.426 4.765 4.340 -0.002 0.000 0.277 496 L C 1.710 178.613 176.870 0.055 0.000 1.075 496 L CA -0.023 54.831 54.840 0.025 0.000 0.804 496 L CB 0.333 42.246 42.059 -0.243 0.000 1.174 496 L HN 0.108 nan 8.230 nan 0.000 0.438 497 G N 2.990 111.791 108.800 0.000 0.000 2.661 497 G HA2 -0.449 3.510 3.960 -0.002 0.000 0.327 497 G HA3 -0.449 3.510 3.960 -0.002 0.000 0.327 497 G C 0.734 175.671 174.900 0.061 0.000 1.320 497 G CA 0.767 45.879 45.100 0.020 0.000 0.997 497 G HN 0.993 nan 8.290 nan 0.000 0.543 498 N N 2.587 121.331 118.700 0.073 0.000 2.515 498 N HA 0.283 5.022 4.740 -0.002 0.000 0.191 498 N C 1.757 177.306 175.510 0.065 0.000 1.182 498 N CA 1.552 54.640 53.050 0.063 0.000 0.879 498 N CB -0.366 38.154 38.487 0.056 0.000 0.984 498 N HN 2.341 nan 8.380 nan 0.000 0.453 499 G N -0.595 108.288 108.800 0.138 0.000 2.189 499 G HA2 -0.315 3.644 3.960 -0.002 0.000 0.267 499 G HA3 -0.315 3.644 3.960 -0.002 0.000 0.267 499 G C -0.395 174.383 174.900 -0.203 0.000 0.975 499 G CA 0.461 45.598 45.100 0.062 0.000 0.644 499 G HN 0.565 nan 8.290 nan 0.000 0.537 500 Q N -0.650 119.093 119.800 -0.095 0.000 2.333 500 Q HA 0.692 5.031 4.340 -0.002 0.000 0.268 500 Q C -0.401 175.458 176.000 -0.234 0.000 1.007 500 Q CA -0.858 54.724 55.803 -0.369 0.000 0.810 500 Q CB 1.564 30.232 28.738 -0.117 0.000 1.264 500 Q HN 0.883 nan 8.270 nan 0.000 0.452 501 Y N -1.308 118.553 120.300 -0.732 0.000 2.879 501 Y HA 0.282 4.831 4.550 -0.002 0.000 0.385 501 Y C -1.880 173.725 175.900 -0.491 0.000 1.153 501 Y CA -1.554 56.275 58.100 -0.451 0.000 1.245 501 Y CB 0.192 38.498 38.460 -0.258 0.000 1.472 501 Y HN 0.407 nan 8.280 nan 0.000 0.490 502 Y N 3.697 124.035 120.300 0.064 0.000 2.377 502 Y HA 0.478 5.027 4.550 -0.002 0.000 0.330 502 Y C 1.153 177.084 175.900 0.051 0.000 1.108 502 Y CA -0.329 57.801 58.100 0.051 0.000 1.308 502 Y CB 0.709 39.189 38.460 0.034 0.000 1.216 502 Y HN 0.618 nan 8.280 nan 0.000 0.518 503 I N 0.368 121.056 120.570 0.196 0.000 2.934 503 I HA 0.449 4.618 4.170 -0.002 0.000 0.315 503 I C 1.403 177.609 176.117 0.148 0.000 0.997 503 I CA -1.011 60.397 61.300 0.179 0.000 1.184 503 I CB 1.310 39.369 38.000 0.099 0.000 1.400 503 I HN 0.630 nan 8.210 nan 0.000 0.549 504 R N 1.852 122.424 120.500 0.120 0.000 2.083 504 R HA 0.129 4.468 4.340 -0.002 0.000 0.237 504 R C 0.185 176.511 176.300 0.044 0.000 1.137 504 R CA 1.685 57.837 56.100 0.086 0.000 0.951 504 R CB 0.176 30.503 30.300 0.046 0.000 0.851 504 R HN 0.806 nan 8.270 nan 0.000 0.434 505 I N -0.879 119.711 120.570 0.033 0.000 2.752 505 I HA 0.299 4.468 4.170 -0.002 0.000 0.290 505 I C -1.874 174.242 176.117 -0.001 0.000 1.507 505 I CA -0.729 60.574 61.300 0.005 0.000 1.038 505 I CB 1.995 39.971 38.000 -0.040 0.000 1.390 505 I HN 0.168 nan 8.210 nan 0.000 0.435 506 A N 4.176 126.995 122.820 -0.001 0.000 2.301 506 A HA 0.658 4.977 4.320 -0.002 0.000 0.312 506 A C 0.791 178.274 177.584 -0.168 0.000 1.182 506 A CA 0.205 52.212 52.037 -0.049 0.000 0.826 506 A CB 1.199 20.206 19.000 0.011 0.000 1.134 506 A HN 0.996 nan 8.150 nan 0.000 0.501 507 G N 1.462 109.950 108.800 -0.520 0.000 2.492 507 G HA2 0.305 4.264 3.960 -0.002 0.000 0.214 507 G HA3 0.305 4.264 3.960 -0.002 0.000 0.214 507 G C 0.561 175.008 174.900 -0.755 0.000 1.147 507 G CA 0.356 44.860 45.100 -0.994 0.000 0.809 507 G HN 0.546 nan 8.290 nan 0.000 0.533 508 L N -0.730 120.163 121.223 -0.550 0.000 2.391 508 L HA 0.387 4.726 4.340 -0.002 0.000 0.266 508 L C 0.987 177.814 176.870 -0.071 0.000 1.035 508 L CA -0.716 54.001 54.840 -0.205 0.000 0.877 508 L CB 1.595 43.559 42.059 -0.160 0.000 1.504 508 L HN -0.165 nan 8.230 nan 0.000 0.503 509 S N -0.460 115.176 115.700 -0.107 0.000 2.685 509 S HA 0.094 4.563 4.470 -0.002 0.000 0.240 509 S C -0.700 173.791 174.600 -0.182 0.000 0.967 509 S CA 0.077 58.135 58.200 -0.238 0.000 1.009 509 S CB -0.590 62.494 63.200 -0.193 0.000 0.776 509 S HN 0.495 nan 8.310 nan 0.000 0.467 510 D N 0.972 121.291 120.400 -0.134 0.000 2.365 510 D HA 0.222 4.861 4.640 -0.002 0.000 0.235 510 D C -2.198 174.049 176.300 -0.088 0.000 1.368 510 D CA -1.563 52.378 54.000 -0.099 0.000 1.001 510 D CB 1.574 42.335 40.800 -0.065 0.000 1.364 510 D HN -0.119 nan 8.370 nan 0.000 0.577 511 P HA -0.007 nan 4.420 nan 0.000 0.234 511 P C 0.173 177.409 177.300 -0.107 0.000 1.167 511 P CA 0.564 63.608 63.100 -0.094 0.000 0.763 511 P CB 0.622 32.263 31.700 -0.098 0.000 0.835 512 D N -0.243 120.100 120.400 -0.094 0.000 2.346 512 D HA 0.110 4.749 4.640 -0.002 0.000 0.206 512 D C 1.169 177.443 176.300 -0.045 0.000 1.001 512 D CA 0.181 54.127 54.000 -0.091 0.000 0.871 512 D CB 0.182 40.929 40.800 -0.088 0.000 0.943 512 D HN 0.137 nan 8.370 nan 0.000 0.518 513 A N 1.017 123.824 122.820 -0.021 0.000 2.346 513 A HA 0.158 4.477 4.320 -0.002 0.000 0.252 513 A C -0.000 177.620 177.584 0.060 0.000 1.089 513 A CA -0.197 51.852 52.037 0.019 0.000 0.797 513 A CB 0.431 19.451 19.000 0.032 0.000 1.047 513 A HN -0.153 nan 8.150 nan 0.000 0.494 514 D N -0.212 120.236 120.400 0.079 0.000 2.264 514 D HA 0.542 5.181 4.640 -0.002 0.000 0.250 514 D C -1.154 175.264 176.300 0.197 0.000 1.113 514 D CA 0.878 54.938 54.000 0.101 0.000 0.871 514 D CB 0.950 41.782 40.800 0.053 0.000 1.167 514 D HN 0.338 nan 8.370 nan 0.000 0.447 515 F N 2.687 122.642 119.950 0.008 0.000 2.749 515 F HA 0.184 4.710 4.527 -0.002 0.000 0.339 515 F C -1.492 174.318 175.800 0.017 0.000 1.211 515 F CA -0.830 57.175 58.000 0.010 0.000 1.099 515 F CB 0.828 39.835 39.000 0.012 0.000 1.359 515 F HN 0.036 nan 8.300 nan 0.000 0.549 516 M N 7.450 126.886 119.600 -0.273 0.000 2.185 516 M HA 0.467 4.945 4.480 -0.002 0.000 0.357 516 M C -0.191 176.023 176.300 -0.143 0.000 1.260 516 M CA -0.311 54.896 55.300 -0.154 0.000 1.124 516 M CB 0.665 33.153 32.600 -0.187 0.000 1.600 516 M HN 0.602 nan 8.290 nan 0.000 0.467 517 I N 0.705 121.303 120.570 0.047 0.000 2.740 517 I HA 0.560 4.729 4.170 -0.002 0.000 0.303 517 I C -0.878 175.279 176.117 0.067 0.000 1.044 517 I CA -1.033 60.325 61.300 0.097 0.000 1.064 517 I CB 2.119 40.229 38.000 0.185 0.000 1.249 517 I HN 0.488 nan 8.210 nan 0.000 0.433 518 N N 5.392 124.124 118.700 0.054 0.000 2.422 518 N HA 0.453 5.192 4.740 -0.002 0.000 0.266 518 N C -0.726 174.843 175.510 0.097 0.000 1.007 518 N CA -0.527 52.553 53.050 0.051 0.000 0.941 518 N CB 1.337 39.837 38.487 0.022 0.000 1.115 518 N HN 0.428 nan 8.380 nan 0.000 0.492 519 I N 1.887 122.549 120.570 0.154 0.000 2.441 519 I HA 0.269 4.438 4.170 -0.002 0.000 0.287 519 I C 1.159 177.388 176.117 0.185 0.000 1.049 519 I CA -0.744 60.676 61.300 0.200 0.000 1.381 519 I CB 0.307 38.507 38.000 0.333 0.000 1.409 519 I HN 0.537 nan 8.210 nan 0.000 0.523 520 A N 5.933 128.867 122.820 0.189 0.000 2.346 520 A HA 0.186 4.505 4.320 -0.002 0.000 0.255 520 A C 0.893 178.615 177.584 0.230 0.000 1.113 520 A CA -0.201 51.948 52.037 0.188 0.000 0.798 520 A CB -0.076 19.034 19.000 0.183 0.000 1.073 520 A HN 0.880 nan 8.150 nan 0.000 0.502 521 N N -0.835 118.005 118.700 0.234 0.000 2.727 521 N HA -0.219 4.519 4.740 -0.002 0.000 0.249 521 N C 0.839 176.478 175.510 0.214 0.000 1.048 521 N CA 1.853 55.069 53.050 0.278 0.000 0.714 521 N CB -1.657 37.059 38.487 0.382 0.000 0.959 521 N HN 2.098 nan 8.380 nan 0.000 0.544 522 G N -1.524 107.373 108.800 0.160 0.000 2.168 522 G HA2 -0.329 3.629 3.960 -0.002 0.000 0.257 522 G HA3 -0.329 3.629 3.960 -0.002 0.000 0.257 522 G C 1.233 176.219 174.900 0.143 0.000 0.997 522 G CA 1.032 46.206 45.100 0.124 0.000 0.708 522 G HN 0.856 nan 8.290 nan 0.000 0.520 523 G N -0.382 108.534 108.800 0.194 0.000 2.479 523 G HA2 0.440 4.399 3.960 -0.002 0.000 0.220 523 G HA3 0.440 4.399 3.960 -0.002 0.000 0.220 523 G C 1.499 176.577 174.900 0.296 0.000 1.115 523 G CA 1.652 46.907 45.100 0.258 0.000 0.757 523 G HN 2.246 nan 8.290 nan 0.000 0.560 524 G N -2.255 106.641 108.800 0.161 0.000 2.498 524 G HA2 0.132 4.091 3.960 -0.002 0.000 0.651 524 G HA3 0.132 4.091 3.960 -0.002 0.000 0.651 524 G C -1.010 173.793 174.900 -0.161 0.000 1.284 524 G CA -0.447 44.631 45.100 -0.036 0.000 0.950 524 G HN 0.824 nan 8.290 nan 0.000 0.511 525 V N 0.865 120.451 119.914 -0.547 0.000 2.495 525 V HA 0.819 4.938 4.120 -0.002 0.000 0.298 525 V C -0.616 175.010 176.094 -0.780 0.000 1.031 525 V CA -0.488 61.561 62.300 -0.418 0.000 0.871 525 V CB 1.127 32.792 31.823 -0.263 0.000 0.988 525 V HN 0.821 nan 8.190 nan 0.000 0.432 526 Y N 0.915 121.191 120.300 -0.040 0.000 2.615 526 Y HA 0.454 5.003 4.550 -0.002 0.000 0.341 526 Y C -0.183 175.727 175.900 0.018 0.000 1.089 526 Y CA -1.317 56.768 58.100 -0.026 0.000 1.049 526 Y CB 1.268 39.714 38.460 -0.024 0.000 1.296 526 Y HN 0.673 nan 8.280 nan 0.000 0.470 527 D N 0.715 121.236 120.400 0.201 0.000 2.345 527 D HA 0.091 4.729 4.640 -0.002 0.000 0.247 527 D C 0.991 177.404 176.300 0.187 0.000 1.108 527 D CA -0.074 54.019 54.000 0.155 0.000 0.894 527 D CB 1.103 41.974 40.800 0.119 0.000 1.203 527 D HN 0.632 nan 8.370 nan 0.000 0.430 528 Q N 2.533 122.452 119.800 0.198 0.000 2.197 528 Q HA -0.269 4.070 4.340 -0.002 0.000 0.207 528 Q C 1.038 177.118 176.000 0.133 0.000 0.984 528 Q CA 1.304 57.210 55.803 0.172 0.000 0.869 528 Q CB -0.191 28.648 28.738 0.169 0.000 0.906 528 Q HN 0.448 nan 8.270 nan 0.000 0.426 529 K N 0.496 120.966 120.400 0.118 0.000 2.486 529 K HA -0.027 4.291 4.320 -0.002 0.000 0.194 529 K C 1.286 178.007 176.600 0.202 0.000 1.033 529 K CA 0.843 57.196 56.287 0.110 0.000 1.004 529 K CB 0.238 32.757 32.500 0.031 0.000 0.798 529 K HN 0.401 nan 8.250 nan 0.000 0.495 530 E N 0.365 120.670 120.200 0.175 0.000 2.400 530 E HA 0.024 4.373 4.350 -0.002 0.000 0.195 530 E C 0.034 176.702 176.600 0.113 0.000 1.012 530 E CA 0.253 56.746 56.400 0.155 0.000 0.875 530 E CB 0.436 30.237 29.700 0.168 0.000 0.859 530 E HN 0.114 nan 8.360 nan 0.000 0.498 531 I N 2.629 123.276 120.570 0.130 0.000 2.321 531 I HA 0.167 4.336 4.170 -0.002 0.000 0.291 531 I C 0.262 176.447 176.117 0.113 0.000 0.998 531 I CA -0.795 60.568 61.300 0.105 0.000 1.227 531 I CB 0.796 38.854 38.000 0.096 0.000 1.368 531 I HN -0.237 nan 8.210 nan 0.000 0.466 532 V N 2.663 122.626 119.914 0.081 0.000 2.919 532 V HA 0.756 4.875 4.120 -0.002 0.000 0.316 532 V C -0.727 175.468 176.094 0.168 0.000 1.077 532 V CA -0.545 61.800 62.300 0.075 0.000 0.977 532 V CB 2.833 34.613 31.823 -0.071 0.000 1.039 532 V HN 0.738 nan 8.190 nan 0.000 0.441 533 D N 2.518 123.042 120.400 0.206 0.000 2.964 533 D HA 0.459 5.098 4.640 -0.002 0.000 0.234 533 D C -2.320 174.201 176.300 0.368 0.000 1.223 533 D CA -1.598 52.589 54.000 0.312 0.000 0.889 533 D CB 3.173 44.161 40.800 0.315 0.000 1.609 533 D HN 0.402 nan 8.370 nan 0.000 0.523 534 P HA -0.032 nan 4.420 nan 0.000 0.234 534 P C 0.921 178.256 177.300 0.057 0.000 1.167 534 P CA 0.317 63.551 63.100 0.223 0.000 0.763 534 P CB 0.373 32.072 31.700 -0.002 0.000 0.835 535 S N 0.284 116.062 115.700 0.129 0.000 2.469 535 S HA -0.121 4.348 4.470 -0.002 0.000 0.238 535 S C 1.399 175.954 174.600 -0.075 0.000 0.998 535 S CA 0.871 59.053 58.200 -0.030 0.000 0.957 535 S CB -1.243 61.887 63.200 -0.116 0.000 0.764 535 S HN 0.363 nan 8.310 nan 0.000 0.514 536 F N 1.403 121.296 119.950 -0.094 0.000 2.333 536 F HA 0.048 4.574 4.527 -0.002 0.000 0.300 536 F C 1.362 177.051 175.800 -0.185 0.000 1.083 536 F CA 0.621 58.525 58.000 -0.159 0.000 1.395 536 F CB -0.890 38.042 39.000 -0.114 0.000 1.056 536 F HN 0.082 nan 8.300 nan 0.000 0.529 537 L N 0.484 121.047 121.223 -1.100 0.000 2.450 537 L HA -0.107 4.231 4.340 -0.002 0.000 0.224 537 L C 2.311 178.960 176.870 -0.367 0.000 1.149 537 L CA 0.709 55.014 54.840 -0.891 0.000 0.816 537 L CB -0.714 40.871 42.059 -0.790 0.000 0.932 537 L HN 0.175 nan 8.230 nan 0.000 0.449 538 E N 0.338 120.387 120.200 -0.253 0.000 2.204 538 E HA -0.187 4.162 4.350 -0.002 0.000 0.195 538 E C 2.292 178.838 176.600 -0.089 0.000 0.990 538 E CA 0.950 57.285 56.400 -0.108 0.000 0.821 538 E CB -0.101 29.555 29.700 -0.075 0.000 0.750 538 E HN 0.541 nan 8.360 nan 0.000 0.477 539 L N 0.401 121.537 121.223 -0.145 0.000 2.042 539 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 539 L C 2.620 179.470 176.870 -0.033 0.000 1.076 539 L CA 1.419 56.193 54.840 -0.111 0.000 0.749 539 L CB -0.617 41.333 42.059 -0.181 0.000 0.893 539 L HN 0.100 nan 8.230 nan 0.000 0.432 540 V N -2.931 116.970 119.914 -0.022 0.000 2.535 540 V HA -0.077 4.042 4.120 -0.002 0.000 0.246 540 V C 2.635 178.773 176.094 0.074 0.000 1.045 540 V CA 1.030 63.374 62.300 0.073 0.000 1.058 540 V CB -0.615 31.306 31.823 0.164 0.000 0.689 540 V HN 0.275 nan 8.190 nan 0.000 0.461 541 R N 1.118 121.638 120.500 0.034 0.000 2.103 541 R HA -0.023 4.316 4.340 -0.002 0.000 0.242 541 R C 1.922 178.269 176.300 0.078 0.000 1.142 541 R CA 2.124 58.250 56.100 0.044 0.000 0.960 541 R CB -1.118 29.204 30.300 0.037 0.000 0.858 541 R HN 0.619 nan 8.270 nan 0.000 0.439 542 L N -0.839 120.432 121.223 0.081 0.000 2.591 542 L HA 0.257 4.596 4.340 -0.002 0.000 0.228 542 L C 0.967 177.919 176.870 0.136 0.000 1.133 542 L CA 0.448 55.351 54.840 0.104 0.000 0.880 542 L CB 0.122 42.224 42.059 0.072 0.000 1.033 542 L HN 0.593 nan 8.230 nan 0.000 0.450 543 G N -0.416 108.484 108.800 0.166 0.000 2.160 543 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.244 543 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.244 543 G C 0.583 175.610 174.900 0.212 0.000 1.022 543 G CA 0.336 45.599 45.100 0.272 0.000 0.741 543 G HN 0.151 nan 8.290 nan 0.000 0.508 544 V N -0.945 119.032 119.914 0.106 0.000 2.825 544 V HA 0.251 4.370 4.120 -0.002 0.000 0.246 544 V C 1.269 177.369 176.094 0.010 0.000 1.068 544 V CA 1.564 63.861 62.300 -0.005 0.000 1.088 544 V CB 0.137 31.895 31.823 -0.108 0.000 0.733 544 V HN 0.315 nan 8.190 nan 0.000 0.468 545 K N 0.062 120.490 120.400 0.046 0.000 2.385 545 K HA 0.539 4.857 4.320 -0.002 0.000 0.248 545 K C -0.615 176.052 176.600 0.111 0.000 0.955 545 K CA -0.297 56.029 56.287 0.065 0.000 0.816 545 K CB 2.110 34.641 32.500 0.051 0.000 1.250 545 K HN 0.086 nan 8.250 nan 0.000 0.434 546 S N 1.066 116.832 115.700 0.111 0.000 2.548 546 S HA 0.161 4.630 4.470 -0.002 0.000 0.277 546 S C 1.319 176.021 174.600 0.171 0.000 1.315 546 S CA -0.122 58.157 58.200 0.132 0.000 1.050 546 S CB 1.303 64.559 63.200 0.094 0.000 0.918 546 S HN 0.662 nan 8.310 nan 0.000 0.497 547 A N 2.489 125.417 122.820 0.180 0.000 1.986 547 A HA -0.174 4.144 4.320 -0.002 0.000 0.220 547 A C 1.552 179.293 177.584 0.261 0.000 1.171 547 A CA 1.901 54.081 52.037 0.238 0.000 0.640 547 A CB -0.489 18.510 19.000 -0.001 0.000 0.811 547 A HN 0.868 nan 8.150 nan 0.000 0.451 548 D N -0.681 119.816 120.400 0.161 0.000 2.340 548 D HA 0.031 4.670 4.640 -0.002 0.000 0.217 548 D C 0.028 176.406 176.300 0.129 0.000 1.081 548 D CA -0.247 53.839 54.000 0.143 0.000 0.842 548 D CB -0.477 40.378 40.800 0.092 0.000 0.934 548 D HN 0.264 nan 8.370 nan 0.000 0.511 549 D N 2.149 122.631 120.400 0.137 0.000 2.487 549 D HA -0.037 4.602 4.640 -0.002 0.000 0.243 549 D C -1.024 175.338 176.300 0.103 0.000 1.154 549 D CA -1.397 52.665 54.000 0.104 0.000 0.876 549 D CB 1.662 42.529 40.800 0.112 0.000 1.161 549 D HN -0.018 nan 8.370 nan 0.000 0.478 550 P HA -0.205 nan 4.420 nan 0.000 0.217 550 P C 0.912 178.241 177.300 0.049 0.000 1.148 550 P CA 1.353 64.486 63.100 0.055 0.000 0.828 550 P CB 0.330 32.046 31.700 0.026 0.000 0.783 551 K N -0.910 119.466 120.400 -0.039 0.000 2.097 551 K HA -0.061 4.258 4.320 -0.002 0.000 0.205 551 K C 2.204 178.897 176.600 0.155 0.000 1.050 551 K CA 0.926 57.118 56.287 -0.158 0.000 0.938 551 K CB -0.336 31.758 32.500 -0.676 0.000 0.718 551 K HN 0.131 nan 8.250 nan 0.000 0.442 552 I N 1.256 121.998 120.570 0.286 0.000 2.202 552 I HA -0.225 3.943 4.170 -0.002 0.000 0.242 552 I C 2.197 178.490 176.117 0.293 0.000 1.091 552 I CA 1.130 62.682 61.300 0.420 0.000 1.368 552 I CB -0.844 37.349 38.000 0.322 0.000 1.058 552 I HN 0.135 nan 8.210 nan 0.000 0.410 553 L N 0.596 121.943 121.223 0.207 0.000 2.046 553 L HA -0.206 4.132 4.340 -0.002 0.000 0.208 553 L C 2.150 179.105 176.870 0.143 0.000 1.077 553 L CA 1.776 56.718 54.840 0.170 0.000 0.747 553 L CB -1.727 40.422 42.059 0.149 0.000 0.896 553 L HN 0.391 nan 8.230 nan 0.000 0.432 554 N N -0.930 117.854 118.700 0.140 0.000 2.104 554 N HA -0.170 4.569 4.740 -0.002 0.000 0.190 554 N C 1.601 177.167 175.510 0.094 0.000 1.024 554 N CA 1.767 54.894 53.050 0.128 0.000 0.853 554 N CB -0.030 38.559 38.487 0.171 0.000 1.008 554 N HN 0.345 nan 8.380 nan 0.000 0.424 555 T N 1.381 115.975 114.554 0.068 0.000 2.746 555 T HA -0.082 4.267 4.350 -0.002 0.000 0.267 555 T C 1.865 176.487 174.700 -0.129 0.000 1.039 555 T CA 0.596 62.604 62.100 -0.153 0.000 1.142 555 T CB -0.246 68.267 68.868 -0.591 0.000 0.866 555 T HN 0.046 nan 8.240 nan 0.000 0.444 556 L N 1.224 122.497 121.223 0.083 0.000 2.079 556 L HA -0.075 4.264 4.340 -0.002 0.000 0.210 556 L C 2.299 179.236 176.870 0.113 0.000 1.081 556 L CA 1.693 56.631 54.840 0.163 0.000 0.752 556 L CB -0.543 41.604 42.059 0.146 0.000 0.896 556 L HN 0.216 nan 8.230 nan 0.000 0.433 557 K N -1.509 118.939 120.400 0.079 0.000 2.026 557 K HA -0.119 4.200 4.320 -0.002 0.000 0.208 557 K C 1.962 178.572 176.600 0.017 0.000 1.048 557 K CA 1.461 57.787 56.287 0.065 0.000 0.929 557 K CB -0.398 32.137 32.500 0.058 0.000 0.713 557 K HN 0.166 nan 8.250 nan 0.000 0.439 558 V N 1.193 121.069 119.914 -0.063 0.000 2.358 558 V HA -0.202 3.916 4.120 -0.002 0.000 0.246 558 V C 2.310 178.338 176.094 -0.110 0.000 1.047 558 V CA 1.386 63.576 62.300 -0.183 0.000 1.035 558 V CB -0.295 31.227 31.823 -0.501 0.000 0.658 558 V HN 0.084 nan 8.190 nan 0.000 0.452 559 V N 0.251 120.142 119.914 -0.039 0.000 2.295 559 V HA -0.251 3.868 4.120 -0.002 0.000 0.246 559 V C 2.246 178.475 176.094 0.224 0.000 1.049 559 V CA 2.247 64.606 62.300 0.098 0.000 1.024 559 V CB -0.650 31.279 31.823 0.177 0.000 0.648 559 V HN 0.550 nan 8.190 nan 0.000 0.447 560 D N -0.244 120.302 120.400 0.244 0.000 2.219 560 D HA -0.079 4.560 4.640 -0.002 0.000 0.205 560 D C 2.363 178.745 176.300 0.137 0.000 0.970 560 D CA 1.304 55.474 54.000 0.283 0.000 0.851 560 D CB -0.078 40.894 40.800 0.287 0.000 0.943 560 D HN 0.377 nan 8.370 nan 0.000 0.488 561 S N -0.685 115.062 115.700 0.079 0.000 2.461 561 S HA -0.066 4.403 4.470 -0.002 0.000 0.228 561 S C 2.041 176.651 174.600 0.016 0.000 1.005 561 S CA 1.335 59.556 58.200 0.034 0.000 0.942 561 S CB 0.159 63.363 63.200 0.007 0.000 0.776 561 S HN 0.514 nan 8.310 nan 0.000 0.514 562 T N -0.111 114.454 114.554 0.019 0.000 3.056 562 T HA 0.264 4.613 4.350 -0.002 0.000 0.243 562 T C 1.177 175.902 174.700 0.043 0.000 0.995 562 T CA -0.001 62.096 62.100 -0.005 0.000 1.091 562 T CB -0.371 68.460 68.868 -0.062 0.000 0.990 562 T HN 0.478 nan 8.240 nan 0.000 0.464 563 I N -1.453 119.199 120.570 0.137 0.000 3.658 563 I HA 0.553 4.722 4.170 -0.002 0.000 0.328 563 I C -0.125 176.120 176.117 0.213 0.000 1.567 563 I CA -0.943 60.523 61.300 0.276 0.000 1.078 563 I CB 0.272 38.457 38.000 0.307 0.000 1.267 563 I HN -0.042 nan 8.210 nan 0.000 0.495 564 K N 1.925 122.329 120.400 0.006 0.000 2.138 564 K HA 0.720 5.039 4.320 -0.002 0.000 0.263 564 K C -1.302 175.087 176.600 -0.352 0.000 0.965 564 K CA -0.496 55.513 56.287 -0.465 0.000 0.868 564 K CB 2.413 34.721 32.500 -0.319 0.000 1.083 564 K HN 0.140 nan 8.250 nan 0.000 0.443 565 V N 3.509 123.112 119.914 -0.517 0.000 2.623 565 V HA 0.164 4.282 4.120 -0.002 0.000 0.304 565 V C -1.157 174.757 176.094 -0.300 0.000 1.054 565 V CA -1.001 61.114 62.300 -0.309 0.000 0.882 565 V CB 1.934 33.588 31.823 -0.281 0.000 1.002 565 V HN 0.842 nan 8.190 nan 0.000 0.424 566 D N 3.676 123.964 120.400 -0.186 0.000 2.411 566 D HA 0.313 4.952 4.640 -0.002 0.000 0.225 566 D C 0.528 176.783 176.300 -0.077 0.000 1.156 566 D CA 0.148 54.065 54.000 -0.139 0.000 0.874 566 D CB 1.780 42.518 40.800 -0.103 0.000 1.034 566 D HN 0.733 nan 8.370 nan 0.000 0.502 567 T N -0.652 113.880 114.554 -0.036 0.000 2.847 567 T HA 0.333 4.682 4.350 -0.002 0.000 0.279 567 T C -1.581 173.112 174.700 -0.011 0.000 0.984 567 T CA -1.415 60.696 62.100 0.018 0.000 0.988 567 T CB 1.839 70.790 68.868 0.138 0.000 1.040 567 T HN 0.034 nan 8.240 nan 0.000 0.528 568 P HA 0.093 nan 4.420 nan 0.000 0.242 568 P C 0.676 177.930 177.300 -0.078 0.000 1.197 568 P CA 0.500 63.578 63.100 -0.036 0.000 0.765 568 P CB 0.176 31.864 31.700 -0.020 0.000 0.936 569 K N -0.611 119.727 120.400 -0.104 0.000 2.353 569 K HA 0.348 4.666 4.320 -0.002 0.000 0.195 569 K C 1.239 177.557 176.600 -0.469 0.000 1.031 569 K CA 0.493 56.605 56.287 -0.291 0.000 1.079 569 K CB 1.039 33.315 32.500 -0.374 0.000 0.857 569 K HN 0.225 nan 8.250 nan 0.000 0.535 570 G N 2.245 110.878 108.800 -0.278 0.000 2.347 570 G HA2 -0.067 3.891 3.960 -0.002 0.000 0.341 570 G HA3 -0.067 3.891 3.960 -0.002 0.000 0.341 570 G C -3.293 171.560 174.900 -0.078 0.000 1.287 570 G CA -1.054 43.898 45.100 -0.245 0.000 0.984 570 G HN -0.194 nan 8.290 nan 0.000 0.526 571 P HA 0.593 nan 4.420 nan 0.000 0.281 571 P C -0.426 176.840 177.300 -0.057 0.000 1.249 571 P CA -0.115 62.881 63.100 -0.173 0.000 0.810 571 P CB 2.039 33.585 31.700 -0.257 0.000 1.008 572 S N 1.257 116.701 115.700 -0.425 0.000 2.625 572 S HA 0.677 5.145 4.470 -0.002 0.000 0.271 572 S C -1.925 172.348 174.600 -0.547 0.000 1.161 572 S CA -0.654 57.436 58.200 -0.183 0.000 0.820 572 S CB 0.850 63.952 63.200 -0.163 0.000 1.137 572 S HN 0.438 nan 8.310 nan 0.000 0.470 573 W N 0.957 122.195 121.300 -0.102 0.000 2.962 573 W HA 0.477 5.136 4.660 -0.002 0.000 0.341 573 W C -1.263 175.134 176.519 -0.202 0.000 1.155 573 W CA -0.619 56.652 57.345 -0.123 0.000 1.165 573 W CB 1.145 30.605 29.460 -0.001 0.000 1.435 573 W HN 0.621 nan 8.180 nan 0.000 0.546 574 Y N 0.547 120.915 120.300 0.112 0.000 2.326 574 Y HA 0.169 4.718 4.550 -0.002 0.000 0.324 574 Y C 1.748 177.543 175.900 -0.175 0.000 1.291 574 Y CA -0.102 57.951 58.100 -0.078 0.000 1.348 574 Y CB 0.829 39.206 38.460 -0.138 0.000 1.294 574 Y HN 0.260 nan 8.280 nan 0.000 0.525 575 R N 0.335 120.631 120.500 -0.339 0.000 2.115 575 R HA -0.028 4.311 4.340 -0.002 0.000 0.226 575 R C -1.025 175.311 176.300 0.059 0.000 1.100 575 R CA 1.285 57.119 56.100 -0.444 0.000 0.980 575 R CB -0.104 29.440 30.300 -1.261 0.000 0.875 575 R HN 0.710 nan 8.270 nan 0.000 0.445 576 Y N -3.345 116.946 120.300 -0.016 0.000 2.765 576 Y HA 0.247 4.796 4.550 -0.002 0.000 0.350 576 Y C -1.900 173.946 175.900 -0.090 0.000 1.196 576 Y CA -2.387 55.725 58.100 0.019 0.000 1.119 576 Y CB 0.089 38.592 38.460 0.072 0.000 1.368 576 Y HN -0.191 nan 8.280 nan 0.000 0.463 577 N N 2.266 120.983 118.700 0.029 0.000 2.458 577 N HA 0.203 4.942 4.740 -0.002 0.000 0.258 577 N C -0.454 174.903 175.510 -0.255 0.000 1.219 577 N CA 0.722 53.581 53.050 -0.319 0.000 0.902 577 N CB -0.172 38.056 38.487 -0.431 0.000 1.076 577 N HN 0.875 nan 8.380 nan 0.000 0.455 578 H N -2.984 115.950 119.070 -0.227 0.000 3.109 578 H HA -0.174 4.381 4.556 -0.002 0.000 0.245 578 H C -0.614 174.684 175.328 -0.050 0.000 1.187 578 H CA 0.830 56.791 56.048 -0.146 0.000 1.136 578 H CB -1.626 27.995 29.762 -0.235 0.000 1.243 578 H HN 0.751 nan 8.280 nan 0.000 0.328 579 D N 0.826 121.071 120.400 -0.257 0.000 2.458 579 D HA 0.215 4.854 4.640 -0.002 0.000 0.243 579 D C 1.428 177.676 176.300 -0.087 0.000 1.146 579 D CA 1.142 54.897 54.000 -0.409 0.000 0.877 579 D CB 0.727 40.959 40.800 -0.947 0.000 1.176 579 D HN 0.451 nan 8.370 nan 0.000 0.461 580 G N 2.889 111.739 108.800 0.083 0.000 3.324 580 G HA2 -0.066 3.893 3.960 -0.002 0.000 0.251 580 G HA3 -0.066 3.893 3.960 -0.002 0.000 0.251 580 G C 0.205 175.199 174.900 0.158 0.000 1.072 580 G CA -0.386 44.791 45.100 0.129 0.000 0.787 580 G HN 0.591 nan 8.290 nan 0.000 0.537 581 Y N 1.758 122.033 120.300 -0.041 0.000 2.570 581 Y HA 0.449 4.998 4.550 -0.002 0.000 0.336 581 Y C 0.673 176.403 175.900 -0.284 0.000 1.284 581 Y CA 0.261 58.236 58.100 -0.209 0.000 1.761 581 Y CB -0.310 38.101 38.460 -0.081 0.000 1.724 581 Y HN 0.190 nan 8.280 nan 0.000 0.455 582 G N 3.002 111.458 108.800 -0.575 0.000 2.349 582 G HA2 0.129 4.088 3.960 -0.002 0.000 0.294 582 G HA3 0.129 4.088 3.960 -0.002 0.000 0.294 582 G C -1.648 173.103 174.900 -0.248 0.000 1.380 582 G CA -1.237 43.595 45.100 -0.447 0.000 0.811 582 G HN 0.265 nan 8.290 nan 0.000 0.519 583 E N 1.330 121.426 120.200 -0.173 0.000 2.452 583 E HA 0.188 4.537 4.350 -0.002 0.000 0.261 583 E C -1.174 175.471 176.600 0.075 0.000 0.987 583 E CA -0.810 55.578 56.400 -0.020 0.000 0.926 583 E CB 1.525 31.309 29.700 0.140 0.000 0.934 583 E HN 0.228 nan 8.360 nan 0.000 0.452 584 P HA -0.100 nan 4.420 nan 0.000 0.218 584 P C -0.165 177.222 177.300 0.145 0.000 1.152 584 P CA 0.957 64.118 63.100 0.102 0.000 0.826 584 P CB 0.462 32.204 31.700 0.070 0.000 0.790 585 S N -2.797 113.017 115.700 0.191 0.000 2.671 585 S HA 0.467 4.935 4.470 -0.002 0.000 0.277 585 S C 0.701 175.466 174.600 0.275 0.000 1.165 585 S CA -0.704 57.612 58.200 0.193 0.000 0.822 585 S CB 1.908 65.169 63.200 0.102 0.000 1.150 585 S HN -0.296 nan 8.310 nan 0.000 0.479 586 K N 0.718 121.163 120.400 0.074 0.000 2.209 586 K HA 0.007 4.325 4.320 -0.002 0.000 0.204 586 K C 1.686 178.280 176.600 -0.009 0.000 1.048 586 K CA 2.078 58.246 56.287 -0.198 0.000 0.940 586 K CB -0.640 31.618 32.500 -0.404 0.000 0.729 586 K HN 0.825 nan 8.250 nan 0.000 0.451 587 T N -2.749 111.835 114.554 0.051 0.000 3.092 587 T HA 0.238 4.587 4.350 -0.002 0.000 0.258 587 T C -0.119 174.651 174.700 0.116 0.000 1.031 587 T CA -0.506 61.636 62.100 0.069 0.000 0.925 587 T CB 0.039 68.926 68.868 0.031 0.000 1.036 587 T HN 0.029 nan 8.240 nan 0.000 0.544 588 E N 0.966 121.261 120.200 0.159 0.000 2.238 588 E HA 0.596 4.945 4.350 -0.002 0.000 0.267 588 E C -0.918 175.803 176.600 0.200 0.000 0.887 588 E CA -0.864 55.630 56.400 0.155 0.000 0.769 588 E CB 2.364 32.126 29.700 0.104 0.000 1.187 588 E HN 0.255 nan 8.360 nan 0.000 0.416 589 L N 1.962 123.319 121.223 0.224 0.000 2.421 589 L HA 0.303 4.642 4.340 -0.002 0.000 0.263 589 L C -0.154 176.699 176.870 -0.029 0.000 1.122 589 L CA -0.841 54.104 54.840 0.175 0.000 0.804 589 L CB 0.268 42.490 42.059 0.272 0.000 1.150 589 L HN 0.562 nan 8.230 nan 0.000 0.457 590 Y N 0.447 120.265 120.300 -0.803 0.000 2.465 590 Y HA 0.070 4.619 4.550 -0.002 0.000 0.331 590 Y C 0.195 175.696 175.900 -0.665 0.000 1.102 590 Y CA 0.118 57.642 58.100 -0.961 0.000 1.358 590 Y CB 0.268 37.445 38.460 -2.138 0.000 1.213 590 Y HN 0.468 nan 8.280 nan 0.000 0.525 591 H N 3.624 122.126 119.070 -0.946 0.000 2.885 591 H HA 0.323 4.878 4.556 -0.002 0.000 0.254 591 H C 1.032 175.926 175.328 -0.724 0.000 1.185 591 H CA 0.112 55.781 56.048 -0.632 0.000 1.029 591 H CB 1.066 30.666 29.762 -0.269 0.000 1.743 591 H HN 0.903 nan 8.280 nan 0.000 0.632 592 G N -0.339 107.660 108.800 -1.335 0.000 2.705 592 G HA2 0.071 4.030 3.960 -0.002 0.000 0.193 592 G HA3 0.071 4.030 3.960 -0.002 0.000 0.193 592 G C 0.060 174.863 174.900 -0.162 0.000 1.015 592 G CA -0.173 44.593 45.100 -0.556 0.000 0.743 592 G HN 0.586 nan 8.290 nan 0.000 0.476 593 A N -0.306 122.410 122.820 -0.173 0.000 2.466 593 A HA 0.923 5.242 4.320 -0.002 0.000 0.284 593 A C 0.260 177.894 177.584 0.083 0.000 1.049 593 A CA 0.612 52.698 52.037 0.081 0.000 0.760 593 A CB 1.048 20.078 19.000 0.051 0.000 1.274 593 A HN 1.886 nan 8.150 nan 0.000 0.412 594 G N 0.878 109.786 108.800 0.180 0.000 3.008 594 G HA2 0.574 4.533 3.960 -0.002 0.000 0.148 594 G HA3 0.574 4.533 3.960 -0.002 0.000 0.148 594 G C -0.992 173.965 174.900 0.096 0.000 1.184 594 G CA -0.304 44.868 45.100 0.120 0.000 1.087 594 G HN 0.705 nan 8.290 nan 0.000 0.602 595 K N 0.442 120.876 120.400 0.056 0.000 2.578 595 K HA 0.534 4.853 4.320 -0.002 0.000 0.250 595 K C 0.068 176.664 176.600 -0.006 0.000 0.955 595 K CA -0.521 55.785 56.287 0.031 0.000 0.825 595 K CB 1.365 33.899 32.500 0.057 0.000 1.151 595 K HN 0.729 nan 8.250 nan 0.000 0.432 596 G N 3.568 112.358 108.800 -0.017 0.000 2.414 596 G HA2 0.088 4.047 3.960 -0.002 0.000 0.236 596 G HA3 0.088 4.047 3.960 -0.002 0.000 0.236 596 G C -0.178 174.802 174.900 0.132 0.000 1.293 596 G CA -0.304 44.807 45.100 0.018 0.000 0.869 596 G HN 0.484 nan 8.290 nan 0.000 0.556 597 R N 0.296 120.864 120.500 0.114 0.000 3.024 597 R HA 0.463 4.802 4.340 -0.002 0.000 0.224 597 R C -0.408 175.915 176.300 0.039 0.000 1.490 597 R CA -1.185 54.954 56.100 0.065 0.000 1.057 597 R CB -0.125 30.030 30.300 -0.242 0.000 1.723 597 R HN 0.306 nan 8.270 nan 0.000 0.520 598 L N 0.841 121.927 121.223 -0.228 0.000 2.380 598 L HA 0.194 4.533 4.340 -0.002 0.000 0.273 598 L C -0.525 176.252 176.870 -0.155 0.000 1.138 598 L CA 0.101 54.777 54.840 -0.273 0.000 0.832 598 L CB 0.042 41.844 42.059 -0.428 0.000 1.124 598 L HN 0.355 nan 8.230 nan 0.000 0.454 599 W N 5.232 126.327 121.300 -0.341 0.000 2.294 599 W HA 0.436 5.095 4.660 -0.002 0.000 0.314 599 W C -1.286 175.054 176.519 -0.299 0.000 1.044 599 W CA -1.879 55.275 57.345 -0.318 0.000 1.284 599 W CB 0.775 30.072 29.460 -0.271 0.000 1.231 599 W HN 0.442 nan 8.180 nan 0.000 0.419 600 P HA -0.229 nan 4.420 nan 0.000 0.221 600 P C 1.681 178.974 177.300 -0.012 0.000 1.145 600 P CA 1.027 64.005 63.100 -0.203 0.000 0.795 600 P CB 0.463 31.994 31.700 -0.282 0.000 0.775 601 L N -0.223 120.965 121.223 -0.058 0.000 2.042 601 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 601 L C 2.289 179.117 176.870 -0.070 0.000 1.076 601 L CA 1.828 56.591 54.840 -0.129 0.000 0.749 601 L CB -1.466 40.442 42.059 -0.253 0.000 0.893 601 L HN -0.159 nan 8.230 nan 0.000 0.432 602 L N -1.277 119.969 121.223 0.039 0.000 2.291 602 L HA -0.106 4.233 4.340 -0.002 0.000 0.214 602 L C 2.219 179.148 176.870 0.098 0.000 1.120 602 L CA 1.106 55.967 54.840 0.036 0.000 0.799 602 L CB -0.958 41.163 42.059 0.103 0.000 0.925 602 L HN 0.268 nan 8.230 nan 0.000 0.446 603 T N -0.229 114.495 114.554 0.283 0.000 2.857 603 T HA -0.077 4.271 4.350 -0.002 0.000 0.266 603 T C 1.881 176.763 174.700 0.302 0.000 1.048 603 T CA 1.299 63.698 62.100 0.500 0.000 1.139 603 T CB -0.252 68.963 68.868 0.578 0.000 0.874 603 T HN 0.542 nan 8.240 nan 0.000 0.455 604 G N 1.183 110.080 108.800 0.163 0.000 2.402 604 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.216 604 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.216 604 G C 1.460 176.339 174.900 -0.035 0.000 1.162 604 G CA 0.389 45.538 45.100 0.083 0.000 0.777 604 G HN 0.471 nan 8.290 nan 0.000 0.539 605 E N 0.017 120.168 120.200 -0.082 0.000 2.110 605 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 605 E C 2.586 179.058 176.600 -0.213 0.000 0.988 605 E CA 0.871 57.191 56.400 -0.134 0.000 0.804 605 E CB -0.037 29.576 29.700 -0.146 0.000 0.745 605 E HN 0.243 nan 8.360 nan 0.000 0.458 606 R N 0.899 121.212 120.500 -0.312 0.000 2.075 606 R HA -0.078 4.261 4.340 -0.002 0.000 0.232 606 R C 2.183 178.139 176.300 -0.574 0.000 1.126 606 R CA 1.792 57.609 56.100 -0.472 0.000 0.963 606 R CB -1.020 28.844 30.300 -0.726 0.000 0.858 606 R HN 0.178 nan 8.270 nan 0.000 0.435 607 G N 0.250 108.667 108.800 -0.637 0.000 2.418 607 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.217 607 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.217 607 G C 1.303 175.991 174.900 -0.354 0.000 1.158 607 G CA 0.949 45.619 45.100 -0.717 0.000 0.771 607 G HN 0.212 nan 8.290 nan 0.000 0.545 608 M N -0.475 118.993 119.600 -0.219 0.000 2.159 608 M HA 0.008 4.487 4.480 -0.002 0.000 0.263 608 M C 2.304 178.507 176.300 -0.161 0.000 1.063 608 M CA 0.766 55.974 55.300 -0.153 0.000 1.110 608 M CB -1.114 31.430 32.600 -0.093 0.000 1.374 608 M HN 0.486 nan 8.290 nan 0.000 0.411 609 Y N 1.648 121.796 120.300 -0.253 0.000 2.200 609 Y HA -0.186 4.363 4.550 -0.002 0.000 0.290 609 Y C 2.129 177.917 175.900 -0.187 0.000 1.137 609 Y CA 1.562 59.530 58.100 -0.220 0.000 1.163 609 Y CB -0.051 38.245 38.460 -0.274 0.000 0.988 609 Y HN 0.169 nan 8.280 nan 0.000 0.518 610 E N 0.868 120.797 120.200 -0.452 0.000 2.118 610 E HA -0.216 4.133 4.350 -0.002 0.000 0.195 610 E C 2.298 178.689 176.600 -0.347 0.000 0.992 610 E CA 1.647 57.792 56.400 -0.426 0.000 0.804 610 E CB -0.423 29.109 29.700 -0.280 0.000 0.741 610 E HN 0.654 nan 8.360 nan 0.000 0.458 611 I N 0.923 121.330 120.570 -0.271 0.000 2.226 611 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 611 I C 2.409 178.397 176.117 -0.214 0.000 1.100 611 I CA 1.100 62.289 61.300 -0.185 0.000 1.374 611 I CB -0.374 37.538 38.000 -0.146 0.000 1.057 611 I HN -0.000 nan 8.210 nan 0.000 0.413 612 A N 0.646 123.298 122.820 -0.280 0.000 2.019 612 A HA -0.063 4.256 4.320 -0.002 0.000 0.219 612 A C 2.289 179.710 177.584 -0.271 0.000 1.164 612 A CA 1.640 53.529 52.037 -0.246 0.000 0.644 612 A CB -0.566 18.306 19.000 -0.214 0.000 0.805 612 A HN 0.444 nan 8.150 nan 0.000 0.449 613 A N -1.567 120.991 122.820 -0.437 0.000 2.278 613 A HA 0.428 4.747 4.320 -0.002 0.000 0.212 613 A C 1.647 179.128 177.584 -0.171 0.000 1.213 613 A CA 1.015 52.851 52.037 -0.335 0.000 0.840 613 A CB -1.048 17.651 19.000 -0.501 0.000 0.866 613 A HN 1.846 nan 8.150 nan 0.000 0.489 614 G N -0.289 108.420 108.800 -0.151 0.000 2.176 614 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.252 614 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.252 614 G C 0.077 174.931 174.900 -0.076 0.000 1.024 614 G CA 0.713 45.757 45.100 -0.094 0.000 0.755 614 G HN 0.602 nan 8.290 nan 0.000 0.507 615 K N -0.377 119.973 120.400 -0.083 0.000 2.238 615 K HA 0.463 4.782 4.320 -0.002 0.000 0.239 615 K C -0.653 175.944 176.600 -0.005 0.000 0.987 615 K CA -1.049 55.218 56.287 -0.033 0.000 0.857 615 K CB 1.239 33.732 32.500 -0.011 0.000 1.154 615 K HN 0.074 nan 8.250 nan 0.000 0.439 616 D N 0.446 120.865 120.400 0.032 0.000 2.390 616 D HA 0.130 4.769 4.640 -0.002 0.000 0.249 616 D C -0.084 176.284 176.300 0.114 0.000 1.144 616 D CA 0.124 54.159 54.000 0.059 0.000 0.880 616 D CB 1.184 42.016 40.800 0.053 0.000 1.182 616 D HN 0.568 nan 8.370 nan 0.000 0.451 617 A N 2.880 125.765 122.820 0.108 0.000 2.430 617 A HA 0.105 4.423 4.320 -0.002 0.000 0.243 617 A C 1.864 179.583 177.584 0.225 0.000 1.254 617 A CA -0.078 52.088 52.037 0.215 0.000 0.914 617 A CB -0.074 18.958 19.000 0.053 0.000 0.998 617 A HN 0.615 nan 8.150 nan 0.000 0.515 618 T N 2.255 116.876 114.554 0.111 0.000 2.653 618 T HA -0.126 4.223 4.350 -0.002 0.000 0.268 618 T C -0.250 174.485 174.700 0.058 0.000 1.035 618 T CA 2.136 64.274 62.100 0.063 0.000 1.154 618 T CB -1.006 67.879 68.868 0.029 0.000 0.862 618 T HN 0.507 nan 8.240 nan 0.000 0.441 619 P HA -0.098 nan 4.420 nan 0.000 0.220 619 P C 0.702 177.890 177.300 -0.187 0.000 1.148 619 P CA 1.276 64.303 63.100 -0.122 0.000 0.803 619 P CB -0.199 31.375 31.700 -0.211 0.000 0.782 620 Y N -0.390 119.950 120.300 0.067 0.000 2.286 620 Y HA -0.085 4.464 4.550 -0.002 0.000 0.293 620 Y C 2.677 178.640 175.900 0.104 0.000 1.124 620 Y CA 0.633 58.795 58.100 0.103 0.000 1.178 620 Y CB -1.276 37.245 38.460 0.101 0.000 1.010 620 Y HN -0.277 nan 8.280 nan 0.000 0.536 621 V N 0.287 120.331 119.914 0.216 0.000 2.295 621 V HA -0.276 3.843 4.120 -0.002 0.000 0.246 621 V C 2.268 178.493 176.094 0.218 0.000 1.049 621 V CA 1.709 64.136 62.300 0.211 0.000 1.024 621 V CB -0.444 31.465 31.823 0.144 0.000 0.648 621 V HN 0.294 nan 8.190 nan 0.000 0.447 622 K N 0.456 120.917 120.400 0.101 0.000 2.057 622 K HA -0.090 4.229 4.320 -0.002 0.000 0.207 622 K C 2.289 178.850 176.600 -0.065 0.000 1.049 622 K CA 1.618 57.920 56.287 0.024 0.000 0.931 622 K CB -0.875 31.611 32.500 -0.024 0.000 0.714 622 K HN 0.483 nan 8.250 nan 0.000 0.440 623 A N 1.388 124.145 122.820 -0.104 0.000 1.877 623 A HA -0.134 4.185 4.320 -0.002 0.000 0.216 623 A C 2.302 179.716 177.584 -0.285 0.000 1.186 623 A CA 1.637 53.491 52.037 -0.305 0.000 0.620 623 A CB -0.434 18.440 19.000 -0.210 0.000 0.822 623 A HN 0.201 nan 8.150 nan 0.000 0.443 624 M N -0.877 118.773 119.600 0.083 0.000 2.159 624 M HA -0.188 4.291 4.480 -0.002 0.000 0.263 624 M C 2.012 178.323 176.300 0.019 0.000 1.063 624 M CA 1.712 57.139 55.300 0.213 0.000 1.110 624 M CB -0.543 32.275 32.600 0.364 0.000 1.374 624 M HN 0.518 nan 8.290 nan 0.000 0.411 625 E N 0.293 120.478 120.200 -0.026 0.000 2.106 625 E HA -0.173 4.176 4.350 -0.002 0.000 0.192 625 E C 1.902 178.428 176.600 -0.123 0.000 0.984 625 E CA 1.041 57.364 56.400 -0.127 0.000 0.806 625 E CB 0.001 29.674 29.700 -0.046 0.000 0.750 625 E HN 0.494 nan 8.360 nan 0.000 0.458 626 K N -0.024 120.273 120.400 -0.171 0.000 2.167 626 K HA -0.027 4.292 4.320 -0.002 0.000 0.203 626 K C 1.763 178.279 176.600 -0.140 0.000 1.052 626 K CA 0.737 56.905 56.287 -0.198 0.000 0.956 626 K CB -0.026 32.291 32.500 -0.305 0.000 0.735 626 K HN 0.117 nan 8.250 nan 0.000 0.451 627 F N 1.843 121.751 119.950 -0.071 0.000 2.293 627 F HA -0.039 4.487 4.527 -0.002 0.000 0.300 627 F C 1.329 177.061 175.800 -0.113 0.000 1.086 627 F CA -0.546 57.402 58.000 -0.087 0.000 1.375 627 F CB 0.005 38.952 39.000 -0.090 0.000 1.045 627 F HN -0.047 nan 8.300 nan 0.000 0.516 628 A N 1.514 124.354 122.820 0.033 0.000 2.445 628 A HA 0.140 4.459 4.320 -0.002 0.000 0.242 628 A C 0.216 177.788 177.584 -0.019 0.000 1.075 628 A CA -0.506 51.505 52.037 -0.044 0.000 0.777 628 A CB -0.062 18.869 19.000 -0.115 0.000 1.013 628 A HN 0.420 nan 8.150 nan 0.000 0.493 629 N N 0.449 119.138 118.700 -0.018 0.000 2.374 629 N HA 0.040 4.779 4.740 -0.002 0.000 0.284 629 N C 0.732 176.240 175.510 -0.005 0.000 1.280 629 N CA 0.301 53.346 53.050 -0.008 0.000 0.963 629 N CB 0.030 38.509 38.487 -0.013 0.000 1.141 629 N HN 0.732 nan 8.380 nan 0.000 0.565 630 E N -1.501 118.701 120.200 0.004 0.000 2.160 630 E HA -0.099 4.250 4.350 -0.002 0.000 0.195 630 E C 1.266 177.883 176.600 0.028 0.000 0.991 630 E CA 1.235 57.643 56.400 0.013 0.000 0.810 630 E CB -0.661 29.050 29.700 0.017 0.000 0.742 630 E HN 0.782 nan 8.360 nan 0.000 0.466 631 G N -0.800 108.020 108.800 0.033 0.000 3.088 631 G HA2 0.175 4.133 3.960 -0.002 0.000 0.212 631 G HA3 0.175 4.133 3.960 -0.002 0.000 0.212 631 G C 0.927 175.865 174.900 0.063 0.000 1.173 631 G CA 0.168 45.314 45.100 0.076 0.000 0.779 631 G HN 0.456 nan 8.290 nan 0.000 0.540 632 G N -0.081 108.732 108.800 0.022 0.000 2.143 632 G HA2 -0.275 3.683 3.960 -0.002 0.000 0.248 632 G HA3 -0.275 3.683 3.960 -0.002 0.000 0.248 632 G C 0.256 175.194 174.900 0.064 0.000 0.991 632 G CA 0.202 45.306 45.100 0.006 0.000 0.689 632 G HN 0.483 nan 8.290 nan 0.000 0.522 633 I N 0.822 121.428 120.570 0.060 0.000 2.353 633 I HA 0.432 4.601 4.170 -0.002 0.000 0.293 633 I C 0.678 176.823 176.117 0.046 0.000 0.992 633 I CA -0.858 60.524 61.300 0.137 0.000 1.268 633 I CB 1.224 39.243 38.000 0.033 0.000 1.387 633 I HN -0.019 nan 8.210 nan 0.000 0.478 634 I N 5.771 126.338 120.570 -0.005 0.000 2.321 634 I HA 0.189 4.358 4.170 -0.002 0.000 0.291 634 I C 0.623 176.606 176.117 -0.224 0.000 0.998 634 I CA -0.246 60.892 61.300 -0.269 0.000 1.227 634 I CB 1.395 39.036 38.000 -0.599 0.000 1.368 634 I HN 0.608 nan 8.210 nan 0.000 0.466 635 S N 3.867 119.417 115.700 -0.250 0.000 2.645 635 S HA 0.178 4.647 4.470 -0.002 0.000 0.266 635 S C 0.954 175.285 174.600 -0.448 0.000 1.258 635 S CA -0.507 57.493 58.200 -0.333 0.000 0.990 635 S CB 1.689 64.679 63.200 -0.350 0.000 0.967 635 S HN 0.776 nan 8.310 nan 0.000 0.556 636 E N 0.396 120.250 120.200 -0.576 0.000 2.072 636 E HA -0.111 4.238 4.350 -0.002 0.000 0.191 636 E C 0.189 176.125 176.600 -1.106 0.000 0.985 636 E CA 0.923 56.824 56.400 -0.832 0.000 0.801 636 E CB 0.089 29.254 29.700 -0.892 0.000 0.750 636 E HN 0.767 nan 8.360 nan 0.000 0.452 637 Q N -0.156 119.111 119.800 -0.889 0.000 2.456 637 Q HA 0.488 4.826 4.340 -0.002 0.000 0.283 637 Q C -1.244 174.393 176.000 -0.605 0.000 1.084 637 Q CA -0.861 54.455 55.803 -0.812 0.000 0.801 637 Q CB 2.941 31.210 28.738 -0.781 0.000 1.434 637 Q HN 0.099 nan 8.270 nan 0.000 0.419 638 V N -2.847 116.740 119.914 -0.545 0.000 2.962 638 V HA 0.646 4.764 4.120 -0.002 0.000 0.313 638 V C -1.371 174.526 176.094 -0.328 0.000 1.099 638 V CA -1.092 60.956 62.300 -0.420 0.000 0.971 638 V CB 1.239 32.822 31.823 -0.400 0.000 1.028 638 V HN 0.786 nan 8.190 nan 0.000 0.430 639 W N 1.143 122.371 121.300 -0.120 0.000 2.170 639 W HA 0.471 5.130 4.660 -0.002 0.000 0.336 639 W C 1.352 177.827 176.519 -0.074 0.000 1.283 639 W CA 0.250 57.553 57.345 -0.069 0.000 1.224 639 W CB 0.588 30.029 29.460 -0.031 0.000 1.132 639 W HN 0.754 nan 8.180 nan 0.000 0.571 640 E N 0.947 121.281 120.200 0.223 0.000 2.072 640 E HA -0.241 4.108 4.350 -0.002 0.000 0.191 640 E C 1.856 178.511 176.600 0.092 0.000 0.985 640 E CA 1.796 58.249 56.400 0.088 0.000 0.801 640 E CB -0.192 29.566 29.700 0.097 0.000 0.750 640 E HN 0.508 nan 8.360 nan 0.000 0.452 641 D N -0.255 120.214 120.400 0.116 0.000 2.117 641 D HA -0.134 4.505 4.640 -0.002 0.000 0.198 641 D C 1.845 178.171 176.300 0.044 0.000 0.982 641 D CA 2.112 56.142 54.000 0.051 0.000 0.828 641 D CB -0.670 40.132 40.800 0.003 0.000 0.967 641 D HN 0.329 nan 8.370 nan 0.000 0.464 642 T N -5.095 109.505 114.554 0.076 0.000 2.990 642 T HA 0.414 4.763 4.350 -0.002 0.000 0.249 642 T C 1.796 176.571 174.700 0.125 0.000 1.039 642 T CA 0.676 62.817 62.100 0.069 0.000 1.036 642 T CB 0.293 69.183 68.868 0.038 0.000 0.994 642 T HN 0.427 nan 8.240 nan 0.000 0.489 643 G N 1.554 110.466 108.800 0.187 0.000 2.159 643 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.256 643 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.256 643 G C -0.038 175.007 174.900 0.242 0.000 0.977 643 G CA 0.307 45.565 45.100 0.264 0.000 0.652 643 G HN 0.635 nan 8.290 nan 0.000 0.531 644 L N 0.751 122.102 121.223 0.213 0.000 2.439 644 L HA 0.425 4.764 4.340 -0.002 0.000 0.261 644 L C -1.657 175.316 176.870 0.172 0.000 1.153 644 L CA -2.215 52.738 54.840 0.188 0.000 0.808 644 L CB 0.716 42.882 42.059 0.179 0.000 1.126 644 L HN -0.110 nan 8.230 nan 0.000 0.460 645 P HA 0.054 nan 4.420 nan 0.000 0.269 645 P C -0.428 176.833 177.300 -0.065 0.000 1.209 645 P CA -0.253 62.800 63.100 -0.078 0.000 0.776 645 P CB 0.633 32.279 31.700 -0.090 0.000 0.876 646 T N -1.836 112.501 114.554 -0.361 0.000 2.891 646 T HA 0.238 4.586 4.350 -0.002 0.000 0.294 646 T C 0.413 174.972 174.700 -0.235 0.000 1.065 646 T CA -0.184 61.647 62.100 -0.448 0.000 0.936 646 T CB 0.131 68.492 68.868 -0.845 0.000 1.415 646 T HN 0.178 nan 8.240 nan 0.000 0.572 647 D N 0.407 120.704 120.400 -0.172 0.000 2.395 647 D HA 0.222 4.861 4.640 -0.002 0.000 0.226 647 D C 0.749 176.484 176.300 -0.942 0.000 1.146 647 D CA -0.220 53.588 54.000 -0.320 0.000 0.830 647 D CB -0.234 40.536 40.800 -0.050 0.000 0.958 647 D HN 0.642 nan 8.370 nan 0.000 0.501 648 S N -0.697 114.450 115.700 -0.922 0.000 2.617 648 S HA 0.490 4.959 4.470 -0.002 0.000 0.259 648 S C 0.732 174.735 174.600 -0.996 0.000 1.301 648 S CA -0.736 56.688 58.200 -1.293 0.000 0.984 648 S CB 1.057 63.727 63.200 -0.883 0.000 0.954 648 S HN 0.210 nan 8.310 nan 0.000 0.572 649 A N 0.837 123.041 122.820 -1.027 0.000 2.561 649 A HA 0.487 4.806 4.320 -0.002 0.000 0.234 649 A C 0.608 177.843 177.584 -0.581 0.000 1.055 649 A CA 0.276 51.794 52.037 -0.864 0.000 0.756 649 A CB -0.801 17.445 19.000 -1.257 0.000 0.986 649 A HN 1.998 nan 8.150 nan 0.000 0.505 650 S N 2.335 117.778 115.700 -0.429 0.000 2.560 650 S HA 0.635 5.104 4.470 -0.002 0.000 0.283 650 S C -3.443 171.035 174.600 -0.204 0.000 1.141 650 S CA -1.026 57.008 58.200 -0.277 0.000 0.902 650 S CB 2.108 65.158 63.200 -0.251 0.000 1.104 650 S HN 0.561 nan 8.310 nan 0.000 0.454 651 P HA 0.295 nan 4.420 nan 0.000 0.275 651 P C -0.739 176.538 177.300 -0.037 0.000 1.227 651 P CA -0.487 62.592 63.100 -0.034 0.000 0.781 651 P CB 0.730 32.419 31.700 -0.019 0.000 0.906 652 L N 4.317 125.529 121.223 -0.018 0.000 2.282 652 L HA 0.220 4.559 4.340 -0.002 0.000 0.287 652 L C 1.292 178.248 176.870 0.144 0.000 1.075 652 L CA 0.004 54.838 54.840 -0.009 0.000 0.839 652 L CB -0.623 41.363 42.059 -0.122 0.000 1.219 652 L HN 0.156 nan 8.230 nan 0.000 0.434 653 N N 3.621 122.419 118.700 0.165 0.000 2.137 653 N HA -0.276 4.463 4.740 -0.002 0.000 0.190 653 N C 1.194 176.865 175.510 0.268 0.000 1.017 653 N CA 1.458 54.623 53.050 0.191 0.000 0.859 653 N CB -0.401 38.167 38.487 0.136 0.000 1.002 653 N HN 0.823 nan 8.380 nan 0.000 0.428 654 W N 2.053 123.398 121.300 0.074 0.000 2.363 654 W HA 0.067 4.726 4.660 -0.002 0.000 0.296 654 W C 2.212 178.752 176.519 0.035 0.000 1.212 654 W CA 1.411 58.799 57.345 0.072 0.000 1.260 654 W CB -0.835 28.686 29.460 0.102 0.000 1.131 654 W HN 0.079 nan 8.180 nan 0.000 0.530 655 A N -0.699 122.176 122.820 0.092 0.000 1.930 655 A HA -0.209 4.110 4.320 -0.002 0.000 0.217 655 A C 1.969 179.530 177.584 -0.038 0.000 1.175 655 A CA 1.639 53.620 52.037 -0.094 0.000 0.627 655 A CB -1.214 17.665 19.000 -0.202 0.000 0.815 655 A HN 0.422 nan 8.150 nan 0.000 0.443 656 H N -0.551 118.550 119.070 0.051 0.000 2.389 656 H HA 0.000 4.555 4.556 -0.002 0.000 0.299 656 H C 2.542 177.925 175.328 0.090 0.000 1.081 656 H CA 1.357 57.437 56.048 0.054 0.000 1.345 656 H CB -0.227 29.527 29.762 -0.013 0.000 1.393 656 H HN 0.530 nan 8.280 nan 0.000 0.520 657 A N 0.959 123.893 122.820 0.190 0.000 1.930 657 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 657 A C 2.354 180.018 177.584 0.134 0.000 1.175 657 A CA 1.760 53.866 52.037 0.116 0.000 0.627 657 A CB -0.235 18.839 19.000 0.122 0.000 0.815 657 A HN 0.319 nan 8.150 nan 0.000 0.443 658 E N -1.075 119.220 120.200 0.158 0.000 2.077 658 E HA -0.206 4.143 4.350 -0.002 0.000 0.193 658 E C 1.738 178.382 176.600 0.073 0.000 0.989 658 E CA 1.604 58.059 56.400 0.092 0.000 0.800 658 E CB -0.521 29.186 29.700 0.011 0.000 0.746 658 E HN 0.691 nan 8.360 nan 0.000 0.452 659 Y N -0.187 120.125 120.300 0.020 0.000 2.181 659 Y HA -0.191 4.358 4.550 -0.002 0.000 0.288 659 Y C 1.993 177.947 175.900 0.090 0.000 1.146 659 Y CA 1.698 59.820 58.100 0.037 0.000 1.164 659 Y CB -0.284 38.170 38.460 -0.011 0.000 0.982 659 Y HN -0.056 nan 8.280 nan 0.000 0.515 660 V N 0.789 120.754 119.914 0.085 0.000 2.261 660 V HA -0.349 3.770 4.120 -0.002 0.000 0.246 660 V C 2.369 178.477 176.094 0.023 0.000 1.047 660 V CA 2.343 64.703 62.300 0.100 0.000 1.015 660 V CB -0.668 31.252 31.823 0.163 0.000 0.642 660 V HN 0.475 nan 8.190 nan 0.000 0.446 661 I N -0.614 119.962 120.570 0.009 0.000 2.286 661 I HA -0.239 3.930 4.170 -0.002 0.000 0.248 661 I C 2.352 178.410 176.117 -0.098 0.000 1.115 661 I CA 1.280 62.568 61.300 -0.019 0.000 1.392 661 I CB -0.342 37.661 38.000 0.007 0.000 1.065 661 I HN 0.317 nan 8.210 nan 0.000 0.418 662 L N 0.476 121.622 121.223 -0.128 0.000 2.027 662 L HA -0.199 4.140 4.340 -0.002 0.000 0.206 662 L C 2.325 179.046 176.870 -0.247 0.000 1.074 662 L CA 1.713 56.456 54.840 -0.162 0.000 0.745 662 L CB -0.859 41.127 42.059 -0.122 0.000 0.898 662 L HN 0.173 nan 8.230 nan 0.000 0.433 663 F N 0.654 120.282 119.950 -0.537 0.000 2.065 663 F HA -0.264 4.262 4.527 -0.002 0.000 0.298 663 F C 2.266 177.720 175.800 -0.578 0.000 1.112 663 F CA 2.064 59.702 58.000 -0.604 0.000 1.212 663 F CB -0.783 37.737 39.000 -0.801 0.000 0.975 663 F HN 0.158 nan 8.300 nan 0.000 0.476 664 A N -0.746 121.712 122.820 -0.602 0.000 1.898 664 A HA -0.118 4.201 4.320 -0.002 0.000 0.216 664 A C 2.336 179.613 177.584 -0.513 0.000 1.181 664 A CA 1.820 53.367 52.037 -0.817 0.000 0.620 664 A CB -1.229 17.502 19.000 -0.448 0.000 0.819 664 A HN 0.441 nan 8.150 nan 0.000 0.442 665 S N -0.123 115.381 115.700 -0.327 0.000 2.402 665 S HA -0.151 4.318 4.470 -0.002 0.000 0.229 665 S C 1.935 176.360 174.600 -0.291 0.000 1.021 665 S CA 1.088 59.143 58.200 -0.242 0.000 0.974 665 S CB -0.497 62.605 63.200 -0.164 0.000 0.800 665 S HN 0.769 nan 8.310 nan 0.000 0.484 666 N N 0.877 119.370 118.700 -0.344 0.000 2.244 666 N HA -0.015 4.724 4.740 -0.002 0.000 0.183 666 N C 1.627 176.843 175.510 -0.490 0.000 1.016 666 N CA 0.838 53.698 53.050 -0.316 0.000 0.866 666 N CB -0.045 38.282 38.487 -0.267 0.000 0.980 666 N HN 0.372 nan 8.380 nan 0.000 0.430 667 I N 0.500 120.698 120.570 -0.620 0.000 2.333 667 I HA -0.123 4.046 4.170 -0.002 0.000 0.246 667 I C 1.948 177.650 176.117 -0.692 0.000 1.106 667 I CA 0.819 61.723 61.300 -0.660 0.000 1.411 667 I CB -0.001 37.580 38.000 -0.698 0.000 1.082 667 I HN 0.046 nan 8.210 nan 0.000 0.420 668 E N -0.236 119.667 120.200 -0.496 0.000 2.371 668 E HA -0.119 4.230 4.350 -0.002 0.000 0.194 668 E C 0.139 176.597 176.600 -0.236 0.000 1.012 668 E CA 0.329 56.547 56.400 -0.303 0.000 0.860 668 E CB 0.038 29.645 29.700 -0.154 0.000 0.811 668 E HN 0.291 nan 8.360 nan 0.000 0.502 669 H N -0.779 118.214 119.070 -0.127 0.000 2.903 669 H HA -0.184 4.371 4.556 -0.002 0.000 0.285 669 H C -0.485 174.776 175.328 -0.112 0.000 1.231 669 H CA 1.492 57.472 56.048 -0.112 0.000 1.135 669 H CB -2.134 27.574 29.762 -0.089 0.000 1.328 669 H HN 0.357 nan 8.280 nan 0.000 0.388 670 K N -2.415 117.952 120.400 -0.056 0.000 2.597 670 K HA 0.526 4.845 4.320 -0.002 0.000 0.282 670 K C -0.845 175.691 176.600 -0.107 0.000 0.975 670 K CA -0.920 55.316 56.287 -0.085 0.000 0.867 670 K CB 1.524 33.976 32.500 -0.079 0.000 1.465 670 K HN -0.088 nan 8.250 nan 0.000 0.417 671 V N 3.614 123.457 119.914 -0.119 0.000 2.364 671 V HA 0.036 4.155 4.120 -0.002 0.000 0.252 671 V C 1.472 177.522 176.094 -0.073 0.000 1.075 671 V CA -0.165 62.077 62.300 -0.098 0.000 1.033 671 V CB -0.328 31.436 31.823 -0.099 0.000 1.116 671 V HN 0.681 nan 8.190 nan 0.000 0.488 672 L N 3.027 124.216 121.223 -0.058 0.000 2.353 672 L HA -0.082 4.257 4.340 -0.002 0.000 0.220 672 L C 1.672 178.537 176.870 -0.009 0.000 1.133 672 L CA 1.059 55.881 54.840 -0.030 0.000 0.798 672 L CB -0.212 41.837 42.059 -0.017 0.000 0.922 672 L HN 0.802 nan 8.230 nan 0.000 0.445 673 D N -1.516 118.883 120.400 -0.003 0.000 2.424 673 D HA 0.021 4.660 4.640 -0.002 0.000 0.220 673 D C 0.577 176.909 176.300 0.054 0.000 1.150 673 D CA -0.197 53.811 54.000 0.014 0.000 0.831 673 D CB 0.051 40.848 40.800 -0.004 0.000 0.981 673 D HN 0.147 nan 8.370 nan 0.000 0.500 674 M N 2.259 121.883 119.600 0.041 0.000 2.146 674 M HA 0.293 4.772 4.480 -0.002 0.000 0.357 674 M C -2.424 173.941 176.300 0.108 0.000 1.261 674 M CA -1.749 53.593 55.300 0.071 0.000 1.106 674 M CB 1.229 33.837 32.600 0.014 0.000 1.612 674 M HN -0.267 nan 8.290 nan 0.000 0.470 675 P HA 0.049 nan 4.420 nan 0.000 0.269 675 P C -0.585 176.819 177.300 0.174 0.000 1.252 675 P CA -0.044 63.189 63.100 0.221 0.000 0.780 675 P CB 0.337 32.144 31.700 0.179 0.000 0.829 676 D N 4.291 124.807 120.400 0.194 0.000 2.123 676 D HA -0.245 4.394 4.640 -0.002 0.000 0.196 676 D C 1.697 178.085 176.300 0.146 0.000 0.992 676 D CA 1.020 55.125 54.000 0.175 0.000 0.833 676 D CB -0.919 39.967 40.800 0.143 0.000 0.954 676 D HN 0.404 nan 8.370 nan 0.000 0.455 677 I N 0.100 120.695 120.570 0.041 0.000 2.194 677 I HA -0.296 3.873 4.170 -0.002 0.000 0.246 677 I C 1.891 177.971 176.117 -0.063 0.000 1.093 677 I CA 1.325 62.574 61.300 -0.085 0.000 1.355 677 I CB 0.067 37.867 38.000 -0.332 0.000 1.046 677 I HN -0.029 nan 8.210 nan 0.000 0.413 678 V N 0.374 120.285 119.914 -0.006 0.000 2.346 678 V HA -0.280 3.839 4.120 -0.002 0.000 0.244 678 V C 2.264 178.454 176.094 0.159 0.000 1.037 678 V CA 2.029 64.392 62.300 0.106 0.000 1.029 678 V CB -1.090 30.824 31.823 0.151 0.000 0.663 678 V HN 0.576 nan 8.190 nan 0.000 0.454 679 Y N 1.503 121.841 120.300 0.063 0.000 2.128 679 Y HA -0.255 4.293 4.550 -0.002 0.000 0.284 679 Y C 2.484 178.398 175.900 0.024 0.000 1.154 679 Y CA 1.914 60.053 58.100 0.064 0.000 1.149 679 Y CB -0.249 38.239 38.460 0.047 0.000 0.976 679 Y HN 0.136 nan 8.280 nan 0.000 0.505 680 K N -0.237 120.139 120.400 -0.041 0.000 2.147 680 K HA -0.191 4.128 4.320 -0.002 0.000 0.205 680 K C 2.343 178.803 176.600 -0.234 0.000 1.049 680 K CA 1.511 57.712 56.287 -0.143 0.000 0.936 680 K CB -0.174 32.328 32.500 0.002 0.000 0.722 680 K HN 0.282 nan 8.250 nan 0.000 0.446 681 R N -0.556 119.772 120.500 -0.288 0.000 2.161 681 R HA -0.060 4.279 4.340 -0.002 0.000 0.213 681 R C 1.034 176.970 176.300 -0.606 0.000 1.055 681 R CA 1.158 56.960 56.100 -0.496 0.000 0.996 681 R CB 0.276 30.140 30.300 -0.728 0.000 0.901 681 R HN 0.203 nan 8.270 nan 0.000 0.456 682 Y N -2.484 117.744 120.300 -0.120 0.000 2.589 682 Y HA 0.176 4.725 4.550 -0.002 0.000 0.271 682 Y C 1.638 177.449 175.900 -0.149 0.000 1.107 682 Y CA -0.117 57.923 58.100 -0.100 0.000 1.273 682 Y CB 0.751 39.182 38.460 -0.048 0.000 1.266 682 Y HN -0.205 nan 8.280 nan 0.000 0.504 683 V N -0.625 119.203 119.914 -0.143 0.000 3.523 683 V HA 0.337 4.456 4.120 -0.002 0.000 0.255 683 V C 1.394 177.168 176.094 -0.533 0.000 1.226 683 V CA 0.263 62.408 62.300 -0.259 0.000 1.092 683 V CB -0.623 31.128 31.823 -0.121 0.000 0.817 683 V HN 0.230 nan 8.190 nan 0.000 0.458 684 A N 0.000 122.334 122.820 -0.810 0.000 2.254 684 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 684 A CA 0.000 51.677 52.037 -0.599 0.000 0.836 684 A CB 0.000 18.754 19.000 -0.410 0.000 0.831 684 A HN 0.000 nan 8.150 nan 0.000 0.486