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 1l2a_1_B DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 28 G C 0.000 174.866 174.900 -0.056 0.000 0.946 28 G CA 0.000 45.075 45.100 -0.042 0.000 0.502 29 P HA 0.556 nan 4.420 nan 0.000 0.272 29 P C -0.545 176.647 177.300 -0.181 0.000 1.230 29 P CA 0.096 63.105 63.100 -0.151 0.000 0.788 29 P CB 1.298 32.807 31.700 -0.318 0.000 0.949 30 T N 1.144 115.584 114.554 -0.190 0.000 3.012 30 T HA 0.186 4.536 4.350 -0.000 0.000 0.330 30 T C -1.125 173.405 174.700 -0.284 0.000 1.321 30 T CA -0.932 61.060 62.100 -0.180 0.000 1.067 30 T CB 0.915 69.746 68.868 -0.061 0.000 1.235 30 T HN 0.150 nan 8.240 nan 0.000 0.479 31 K N 1.921 122.089 120.400 -0.387 0.000 2.472 31 K HA 0.369 4.689 4.320 -0.000 0.000 0.280 31 K C 0.428 176.714 176.600 -0.524 0.000 1.028 31 K CA -0.152 55.752 56.287 -0.638 0.000 1.045 31 K CB 0.075 32.248 32.500 -0.544 0.000 0.902 31 K HN 0.733 nan 8.250 nan 0.000 0.478 32 A N 5.447 127.927 122.820 -0.565 0.000 2.462 32 A HA 0.228 4.547 4.320 -0.000 0.000 0.243 32 A C -1.190 176.166 177.584 -0.381 0.000 1.076 32 A CA -0.967 50.652 52.037 -0.697 0.000 0.773 32 A CB 0.018 18.743 19.000 -0.458 0.000 1.010 32 A HN 0.450 nan 8.150 nan 0.000 0.493 33 P HA 0.008 nan 4.420 nan 0.000 0.227 33 P C 0.457 177.735 177.300 -0.036 0.000 1.161 33 P CA 0.609 63.584 63.100 -0.208 0.000 0.788 33 P CB -0.321 31.240 31.700 -0.231 0.000 0.822 34 T N 1.109 115.658 114.554 -0.009 0.000 2.903 34 T HA 0.224 4.574 4.350 -0.000 0.000 0.299 34 T C 0.600 175.409 174.700 0.183 0.000 1.041 34 T CA 0.592 62.742 62.100 0.084 0.000 1.138 34 T CB -0.169 68.723 68.868 0.041 0.000 1.040 34 T HN 0.222 nan 8.240 nan 0.000 0.524 35 K N 2.020 122.507 120.400 0.144 0.000 2.118 35 K HA 0.351 4.671 4.320 -0.000 0.000 0.267 35 K C 0.011 176.728 176.600 0.195 0.000 0.991 35 K CA -0.930 55.446 56.287 0.149 0.000 0.916 35 K CB 0.311 32.858 32.500 0.078 0.000 1.041 35 K HN 0.735 nan 8.250 nan 0.000 0.455 36 D N 0.929 121.409 120.400 0.134 0.000 2.662 36 D HA 0.272 4.912 4.640 -0.000 0.000 0.233 36 D C 1.362 177.691 176.300 0.049 0.000 1.129 36 D CA 2.575 56.614 54.000 0.064 0.000 0.851 36 D CB 0.202 41.003 40.800 0.002 0.000 1.152 36 D HN 0.975 nan 8.370 nan 0.000 0.507 37 G N 1.787 110.607 108.800 0.033 0.000 2.218 37 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 37 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 37 G C 0.570 175.460 174.900 -0.017 0.000 0.994 37 G CA 0.021 45.120 45.100 -0.002 0.000 0.637 37 G HN 0.610 nan 8.290 nan 0.000 0.505 38 T N 2.763 117.322 114.554 0.008 0.000 2.866 38 T HA 0.414 4.764 4.350 -0.000 0.000 0.293 38 T C 1.163 175.774 174.700 -0.149 0.000 1.005 38 T CA 0.814 62.883 62.100 -0.051 0.000 1.162 38 T CB 1.035 69.865 68.868 -0.064 0.000 0.968 38 T HN 1.429 nan 8.240 nan 0.000 0.530 39 S N 3.058 118.683 115.700 -0.125 0.000 2.576 39 S HA 0.088 4.558 4.470 -0.000 0.000 0.272 39 S C 0.813 175.287 174.600 -0.209 0.000 1.352 39 S CA -0.492 57.625 58.200 -0.138 0.000 1.021 39 S CB 0.201 63.370 63.200 -0.052 0.000 0.887 39 S HN 0.571 nan 8.310 nan 0.000 0.542 40 Y N 1.131 121.435 120.300 0.007 0.000 2.352 40 Y HA 0.021 4.571 4.550 -0.000 0.000 0.292 40 Y C 2.448 178.333 175.900 -0.025 0.000 1.136 40 Y CA 1.342 59.434 58.100 -0.014 0.000 1.227 40 Y CB -0.452 38.013 38.460 0.008 0.000 0.991 40 Y HN 0.805 nan 8.280 nan 0.000 0.545 41 K N 0.510 120.961 120.400 0.083 0.000 1.991 41 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 41 K C 1.469 178.111 176.600 0.069 0.000 1.049 41 K CA 2.164 58.476 56.287 0.042 0.000 0.932 41 K CB -0.185 32.303 32.500 -0.021 0.000 0.717 41 K HN 0.154 nan 8.250 nan 0.000 0.441 42 D N 0.915 121.321 120.400 0.010 0.000 2.123 42 D HA -0.173 4.466 4.640 -0.000 0.000 0.196 42 D C 2.040 178.309 176.300 -0.051 0.000 0.992 42 D CA 0.972 54.968 54.000 -0.007 0.000 0.833 42 D CB -0.208 40.575 40.800 -0.028 0.000 0.954 42 D HN 0.256 nan 8.370 nan 0.000 0.455 43 L N -0.104 121.046 121.223 -0.121 0.000 2.127 43 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 43 L C 2.319 179.045 176.870 -0.239 0.000 1.089 43 L CA 0.715 55.378 54.840 -0.295 0.000 0.757 43 L CB -0.289 41.505 42.059 -0.442 0.000 0.899 43 L HN 0.003 nan 8.230 nan 0.000 0.434 44 F N 0.454 120.308 119.950 -0.160 0.000 2.113 44 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 44 F C 2.137 177.923 175.800 -0.023 0.000 1.103 44 F CA 1.467 59.403 58.000 -0.107 0.000 1.248 44 F CB -0.201 38.745 39.000 -0.090 0.000 0.999 44 F HN -0.132 nan 8.300 nan 0.000 0.475 45 L N 0.315 121.497 121.223 -0.068 0.000 2.042 45 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 45 L C 2.570 179.399 176.870 -0.068 0.000 1.076 45 L CA 1.953 56.768 54.840 -0.042 0.000 0.749 45 L CB -0.915 41.208 42.059 0.108 0.000 0.893 45 L HN 0.305 nan 8.230 nan 0.000 0.432 46 E N 0.667 120.819 120.200 -0.079 0.000 2.031 46 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 46 E C 2.403 178.969 176.600 -0.058 0.000 0.994 46 E CA 1.219 57.600 56.400 -0.032 0.000 0.800 46 E CB -0.082 29.623 29.700 0.008 0.000 0.752 46 E HN 0.408 nan 8.360 nan 0.000 0.447 47 L N 0.214 121.336 121.223 -0.168 0.000 2.083 47 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 47 L C 2.520 179.276 176.870 -0.190 0.000 1.083 47 L CA 1.515 56.280 54.840 -0.124 0.000 0.752 47 L CB -0.367 41.573 42.059 -0.199 0.000 0.899 47 L HN 0.354 nan 8.230 nan 0.000 0.433 48 Y N 0.294 120.288 120.300 -0.511 0.000 2.114 48 Y HA -0.178 4.372 4.550 -0.000 0.000 0.284 48 Y C 2.272 178.009 175.900 -0.273 0.000 1.143 48 Y CA 1.626 59.415 58.100 -0.518 0.000 1.135 48 Y CB -0.883 37.063 38.460 -0.856 0.000 0.980 48 Y HN 0.133 nan 8.280 nan 0.000 0.499 49 G N 0.651 109.314 108.800 -0.228 0.000 2.574 49 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.220 49 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.220 49 G C 1.683 176.483 174.900 -0.165 0.000 1.173 49 G CA 1.516 46.498 45.100 -0.197 0.000 0.772 49 G HN 0.455 nan 8.290 nan 0.000 0.585 50 K N -0.013 120.337 120.400 -0.083 0.000 2.148 50 K HA 0.084 4.404 4.320 -0.000 0.000 0.204 50 K C 2.442 179.074 176.600 0.053 0.000 1.050 50 K CA 0.879 57.168 56.287 0.004 0.000 0.942 50 K CB -0.168 32.365 32.500 0.056 0.000 0.724 50 K HN 0.399 nan 8.250 nan 0.000 0.446 51 I N 1.099 121.614 120.570 -0.093 0.000 2.353 51 I HA -0.197 3.973 4.170 -0.000 0.000 0.248 51 I C 1.820 178.038 176.117 0.168 0.000 1.119 51 I CA 0.979 62.205 61.300 -0.124 0.000 1.417 51 I CB -0.225 37.563 38.000 -0.354 0.000 1.078 51 I HN 0.042 nan 8.210 nan 0.000 0.421 52 K N 0.346 120.699 120.400 -0.079 0.000 2.365 52 K HA 0.038 4.358 4.320 -0.000 0.000 0.197 52 K C 0.473 177.049 176.600 -0.040 0.000 1.042 52 K CA 0.201 56.427 56.287 -0.102 0.000 0.987 52 K CB -0.411 31.784 32.500 -0.508 0.000 0.779 52 K HN 0.231 nan 8.250 nan 0.000 0.484 53 D N 2.271 122.669 120.400 -0.004 0.000 2.434 53 D HA -0.013 4.627 4.640 -0.000 0.000 0.252 53 D C -1.772 174.560 176.300 0.053 0.000 1.185 53 D CA -1.388 52.616 54.000 0.007 0.000 0.886 53 D CB 1.515 42.319 40.800 0.007 0.000 1.148 53 D HN -0.078 nan 8.370 nan 0.000 0.483 54 P HA -0.096 nan 4.420 nan 0.000 0.219 54 P C 1.214 178.525 177.300 0.019 0.000 1.150 54 P CA 1.524 64.643 63.100 0.032 0.000 0.814 54 P CB 0.169 31.871 31.700 0.003 0.000 0.787 55 K N 0.441 120.842 120.400 0.002 0.000 2.063 55 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 55 K C 1.929 178.502 176.600 -0.044 0.000 1.048 55 K CA 1.926 58.203 56.287 -0.016 0.000 0.928 55 K CB -2.051 30.439 32.500 -0.016 0.000 0.713 55 K HN 0.163 nan 8.250 nan 0.000 0.442 56 N N -0.513 118.160 118.700 -0.046 0.000 2.223 56 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 56 N C 1.486 176.850 175.510 -0.243 0.000 1.016 56 N CA 1.675 54.643 53.050 -0.136 0.000 0.863 56 N CB -0.093 38.356 38.487 -0.063 0.000 0.983 56 N HN 0.798 nan 8.380 nan 0.000 0.429 57 G N -0.614 108.123 108.800 -0.105 0.000 2.137 57 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.237 57 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.237 57 G C 0.518 175.355 174.900 -0.105 0.000 1.002 57 G CA 0.294 45.345 45.100 -0.082 0.000 0.702 57 G HN 0.330 nan 8.290 nan 0.000 0.515 58 Y N -0.605 119.673 120.300 -0.037 0.000 2.242 58 Y HA 0.300 4.850 4.550 -0.000 0.000 0.291 58 Y C 1.659 177.252 175.900 -0.513 0.000 1.137 58 Y CA 1.327 59.282 58.100 -0.243 0.000 1.181 58 Y CB -0.106 38.160 38.460 -0.324 0.000 0.989 58 Y HN 0.346 nan 8.280 nan 0.000 0.527 59 F N -0.955 118.937 119.950 -0.096 0.000 2.483 59 F HA 0.368 4.895 4.527 -0.000 0.000 0.329 59 F C 0.636 176.219 175.800 -0.362 0.000 1.064 59 F CA -1.819 55.947 58.000 -0.390 0.000 0.986 59 F CB 0.564 39.337 39.000 -0.377 0.000 1.218 59 F HN -0.367 nan 8.300 nan 0.000 0.484 60 S N 1.958 117.363 115.700 -0.491 0.000 2.562 60 S HA 0.191 4.661 4.470 -0.000 0.000 0.281 60 S C -1.765 172.777 174.600 -0.096 0.000 1.333 60 S CA -0.924 57.077 58.200 -0.333 0.000 1.052 60 S CB 0.996 63.881 63.200 -0.525 0.000 0.884 60 S HN 0.483 nan 8.310 nan 0.000 0.506 61 P HA -0.039 nan 4.420 nan 0.000 0.216 61 P C 0.492 177.777 177.300 -0.024 0.000 1.153 61 P CA 1.058 64.158 63.100 0.001 0.000 0.844 61 P CB -0.010 31.708 31.700 0.030 0.000 0.787 62 D N 0.711 121.084 120.400 -0.044 0.000 2.088 62 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 62 D C 1.765 178.029 176.300 -0.059 0.000 0.983 62 D CA 1.436 55.408 54.000 -0.047 0.000 0.846 62 D CB -0.655 40.104 40.800 -0.068 0.000 0.992 62 D HN 0.240 nan 8.370 nan 0.000 0.448 63 E N -0.877 119.221 120.200 -0.171 0.000 2.447 63 E HA 0.327 4.677 4.350 -0.000 0.000 0.195 63 E C 1.059 177.617 176.600 -0.070 0.000 1.028 63 E CA 0.538 56.839 56.400 -0.166 0.000 0.876 63 E CB 0.407 29.673 29.700 -0.724 0.000 0.885 63 E HN 0.309 nan 8.360 nan 0.000 0.500 64 G N 1.214 109.947 108.800 -0.111 0.000 2.182 64 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 64 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 64 G C -0.051 174.805 174.900 -0.073 0.000 1.042 64 G CA -0.082 44.967 45.100 -0.086 0.000 0.775 64 G HN 0.240 nan 8.290 nan 0.000 0.501 65 I N 0.867 121.294 120.570 -0.238 0.000 2.353 65 I HA 0.297 4.467 4.170 -0.000 0.000 0.293 65 I C -2.022 173.699 176.117 -0.659 0.000 0.992 65 I CA -2.644 58.432 61.300 -0.372 0.000 1.268 65 I CB 1.787 39.520 38.000 -0.445 0.000 1.387 65 I HN -0.144 nan 8.210 nan 0.000 0.478 66 P HA 0.066 nan 4.420 nan 0.000 0.271 66 P C -1.158 175.583 177.300 -0.931 0.000 1.233 66 P CA 0.165 62.509 63.100 -1.260 0.000 0.764 66 P CB 0.092 30.857 31.700 -1.559 0.000 0.825 67 Y N 0.910 120.821 120.300 -0.649 0.000 2.298 67 Y HA 0.106 4.655 4.550 -0.000 0.000 0.329 67 Y C 2.317 178.065 175.900 -0.252 0.000 1.293 67 Y CA 0.222 58.069 58.100 -0.422 0.000 1.388 67 Y CB 0.103 38.256 38.460 -0.512 0.000 1.309 67 Y HN 0.498 nan 8.280 nan 0.000 0.544 68 H N 0.223 119.298 119.070 0.008 0.000 2.319 68 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 68 H C -0.173 175.183 175.328 0.048 0.000 1.092 68 H CA 1.413 57.490 56.048 0.049 0.000 1.302 68 H CB 0.228 30.005 29.762 0.026 0.000 1.373 68 H HN 0.500 nan 8.280 nan 0.000 0.497 69 S N -2.066 113.676 115.700 0.070 0.000 2.547 69 S HA 0.238 4.708 4.470 -0.000 0.000 0.270 69 S C 0.808 175.416 174.600 0.014 0.000 1.150 69 S CA -0.435 57.774 58.200 0.014 0.000 0.850 69 S CB 0.627 63.787 63.200 -0.065 0.000 1.118 69 S HN 0.195 nan 8.310 nan 0.000 0.461 70 I N 0.781 121.339 120.570 -0.020 0.000 2.091 70 I HA -0.181 3.989 4.170 -0.000 0.000 0.239 70 I C 0.919 177.004 176.117 -0.053 0.000 1.061 70 I CA 1.464 62.700 61.300 -0.106 0.000 1.317 70 I CB -0.555 37.243 38.000 -0.336 0.000 1.031 70 I HN 0.684 nan 8.210 nan 0.000 0.401 71 E N 0.796 120.983 120.200 -0.022 0.000 2.418 71 E HA -0.044 4.306 4.350 -0.000 0.000 0.261 71 E C 1.152 177.647 176.600 -0.174 0.000 1.070 71 E CA 0.716 57.084 56.400 -0.053 0.000 0.931 71 E CB 0.396 30.156 29.700 0.101 0.000 0.954 71 E HN 0.337 nan 8.360 nan 0.000 0.439 72 T N -0.728 113.682 114.554 -0.241 0.000 3.034 72 T HA 0.109 4.459 4.350 -0.000 0.000 0.248 72 T C 0.835 175.475 174.700 -0.099 0.000 1.040 72 T CA -0.323 61.515 62.100 -0.437 0.000 1.107 72 T CB 0.314 68.904 68.868 -0.464 0.000 0.932 72 T HN 0.174 nan 8.240 nan 0.000 0.474 73 L N 2.366 123.656 121.223 0.112 0.000 2.407 73 L HA 0.583 4.923 4.340 -0.000 0.000 0.282 73 L C -0.765 176.242 176.870 0.229 0.000 1.110 73 L CA 0.001 54.944 54.840 0.171 0.000 0.863 73 L CB 0.168 42.299 42.059 0.121 0.000 1.207 73 L HN 0.459 nan 8.230 nan 0.000 0.454 74 I N 4.237 124.898 120.570 0.152 0.000 2.741 74 I HA 0.283 4.452 4.170 -0.000 0.000 0.288 74 I C -1.616 174.470 176.117 -0.051 0.000 1.482 74 I CA -0.466 60.890 61.300 0.093 0.000 1.050 74 I CB 2.211 40.125 38.000 -0.144 0.000 1.388 74 I HN 0.115 nan 8.210 nan 0.000 0.428 75 V N 7.425 127.267 119.914 -0.119 0.000 2.525 75 V HA 0.535 4.655 4.120 -0.000 0.000 0.299 75 V C 0.057 176.029 176.094 -0.205 0.000 1.034 75 V CA -0.168 61.897 62.300 -0.390 0.000 0.863 75 V CB 1.386 32.520 31.823 -1.149 0.000 0.999 75 V HN 0.928 nan 8.190 nan 0.000 0.423 76 E N 3.997 124.075 120.200 -0.204 0.000 3.383 76 E HA 0.353 4.703 4.350 -0.000 0.000 0.256 76 E C 1.028 177.596 176.600 -0.053 0.000 1.197 76 E CA 0.625 56.970 56.400 -0.093 0.000 1.851 76 E CB 0.894 30.575 29.700 -0.032 0.000 2.128 76 E HN 0.561 nan 8.360 nan 0.000 0.951 77 A N 1.070 123.895 122.820 0.008 0.000 1.853 77 A HA 0.358 4.677 4.320 -0.000 0.000 0.204 77 A C -2.073 175.713 177.584 0.338 0.000 1.724 77 A CA 0.074 52.235 52.037 0.207 0.000 1.105 77 A CB -0.493 18.632 19.000 0.208 0.000 1.101 77 A HN 0.208 nan 8.150 nan 0.000 0.495 78 P HA 0.287 nan 4.420 nan 0.000 0.278 78 P C -1.327 175.932 177.300 -0.068 0.000 1.238 78 P CA 0.302 63.423 63.100 0.035 0.000 0.794 78 P CB 1.000 32.595 31.700 -0.175 0.000 0.955 79 D N 0.154 120.564 120.400 0.017 0.000 2.463 79 D HA 0.149 4.789 4.640 -0.000 0.000 0.224 79 D C -0.583 175.848 176.300 0.218 0.000 1.174 79 D CA -0.456 53.578 54.000 0.057 0.000 0.829 79 D CB -0.586 40.307 40.800 0.155 0.000 0.993 79 D HN 0.308 nan 8.370 nan 0.000 0.497 80 Y N -0.829 119.426 120.300 -0.075 0.000 2.409 80 Y HA 0.439 4.988 4.550 -0.000 0.000 0.321 80 Y C 0.900 176.696 175.900 -0.173 0.000 1.209 80 Y CA -0.968 57.015 58.100 -0.196 0.000 1.086 80 Y CB 1.301 39.449 38.460 -0.519 0.000 1.320 80 Y HN -0.138 nan 8.280 nan 0.000 0.440 81 G N 2.511 110.811 108.800 -0.833 0.000 2.471 81 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.219 81 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.219 81 G C 0.715 175.383 174.900 -0.387 0.000 1.125 81 G CA 0.715 45.529 45.100 -0.476 0.000 0.775 81 G HN 0.831 nan 8.290 nan 0.000 0.548 82 H N -0.441 117.939 119.070 -1.150 0.000 2.520 82 H HA 0.231 4.787 4.556 -0.000 0.000 0.284 82 H C 1.017 176.410 175.328 0.109 0.000 1.037 82 H CA -0.515 55.191 56.048 -0.569 0.000 1.168 82 H CB 0.574 29.879 29.762 -0.761 0.000 1.497 82 H HN 0.266 nan 8.280 nan 0.000 0.547 83 V N -0.512 119.511 119.914 0.182 0.000 3.319 83 V HA 0.238 4.358 4.120 -0.000 0.000 0.303 83 V C 0.577 176.743 176.094 0.119 0.000 1.094 83 V CA -0.343 62.073 62.300 0.193 0.000 1.106 83 V CB 1.793 33.693 31.823 0.127 0.000 1.099 83 V HN 0.048 nan 8.190 nan 0.000 0.476 84 T N 1.183 115.762 114.554 0.041 0.000 2.942 84 T HA 0.768 5.118 4.350 -0.000 0.000 0.289 84 T C -0.336 174.388 174.700 0.040 0.000 1.044 84 T CA 0.238 62.328 62.100 -0.017 0.000 1.023 84 T CB 1.480 70.261 68.868 -0.145 0.000 1.123 84 T HN 1.445 nan 8.240 nan 0.000 0.512 85 T N -0.595 114.024 114.554 0.107 0.000 2.906 85 T HA 0.424 4.774 4.350 -0.000 0.000 0.295 85 T C 1.500 176.390 174.700 0.315 0.000 1.061 85 T CA -0.089 62.124 62.100 0.189 0.000 1.000 85 T CB 1.355 70.394 68.868 0.285 0.000 1.103 85 T HN 0.607 nan 8.240 nan 0.000 0.486 86 S N 0.678 116.566 115.700 0.314 0.000 2.392 86 S HA -0.294 4.176 4.470 -0.000 0.000 0.232 86 S C 1.664 176.425 174.600 0.268 0.000 1.041 86 S CA 1.657 60.029 58.200 0.286 0.000 1.026 86 S CB -0.850 62.462 63.200 0.185 0.000 0.845 86 S HN 0.899 nan 8.310 nan 0.000 0.465 87 E N 2.056 122.405 120.200 0.249 0.000 2.049 87 E HA -0.206 4.144 4.350 -0.000 0.000 0.198 87 E C 2.221 179.039 176.600 0.363 0.000 1.007 87 E CA 1.266 57.803 56.400 0.229 0.000 0.809 87 E CB -0.610 29.230 29.700 0.232 0.000 0.749 87 E HN 0.658 nan 8.360 nan 0.000 0.450 88 A N 0.155 123.179 122.820 0.340 0.000 1.933 88 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 88 A C 1.981 179.740 177.584 0.290 0.000 1.175 88 A CA 1.266 53.497 52.037 0.323 0.000 0.628 88 A CB -0.945 18.048 19.000 -0.012 0.000 0.814 88 A HN 0.408 nan 8.150 nan 0.000 0.444 89 F N 1.202 121.292 119.950 0.233 0.000 2.126 89 F HA -0.242 4.285 4.527 -0.000 0.000 0.299 89 F C 3.034 178.986 175.800 0.253 0.000 1.096 89 F CA 1.837 59.973 58.000 0.227 0.000 1.255 89 F CB -0.163 38.881 39.000 0.074 0.000 0.997 89 F HN 0.385 nan 8.300 nan 0.000 0.479 90 S N -0.967 114.946 115.700 0.354 0.000 2.383 90 S HA -0.235 4.235 4.470 -0.000 0.000 0.227 90 S C 1.823 176.619 174.600 0.327 0.000 1.026 90 S CA 0.996 59.323 58.200 0.211 0.000 0.981 90 S CB -1.152 62.048 63.200 -0.000 0.000 0.818 90 S HN 0.378 nan 8.310 nan 0.000 0.472 91 Y N 0.513 121.082 120.300 0.448 0.000 2.200 91 Y HA -0.047 4.503 4.550 -0.000 0.000 0.290 91 Y C 2.596 178.902 175.900 0.677 0.000 1.137 91 Y CA 1.278 59.711 58.100 0.556 0.000 1.163 91 Y CB -0.823 37.911 38.460 0.456 0.000 0.988 91 Y HN 0.302 nan 8.280 nan 0.000 0.518 92 Y N 0.441 121.211 120.300 0.783 0.000 2.081 92 Y HA -0.287 4.263 4.550 -0.000 0.000 0.280 92 Y C 2.368 178.623 175.900 0.593 0.000 1.163 92 Y CA 1.442 59.972 58.100 0.717 0.000 1.135 92 Y CB -0.960 37.806 38.460 0.510 0.000 0.970 92 Y HN -0.065 nan 8.280 nan 0.000 0.498 93 V N -0.840 119.364 119.914 0.484 0.000 2.287 93 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 93 V C 2.162 178.598 176.094 0.570 0.000 1.053 93 V CA 2.038 64.580 62.300 0.403 0.000 1.027 93 V CB -1.153 30.917 31.823 0.413 0.000 0.646 93 V HN 0.624 nan 8.190 nan 0.000 0.447 94 W N 0.409 121.931 121.300 0.370 0.000 2.358 94 W HA -0.162 4.498 4.660 -0.000 0.000 0.303 94 W C 2.251 179.016 176.519 0.411 0.000 1.208 94 W CA 1.681 59.236 57.345 0.350 0.000 1.274 94 W CB -0.802 28.794 29.460 0.227 0.000 1.138 94 W HN 0.265 nan 8.180 nan 0.000 0.515 95 L N 1.343 122.929 121.223 0.604 0.000 2.017 95 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 95 L C 2.330 179.537 176.870 0.562 0.000 1.073 95 L CA 2.281 57.438 54.840 0.529 0.000 0.745 95 L CB -1.109 41.291 42.059 0.568 0.000 0.894 95 L HN -0.189 nan 8.230 nan 0.000 0.432 96 E N 0.148 120.702 120.200 0.591 0.000 2.085 96 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 96 E C 2.229 179.113 176.600 0.472 0.000 0.994 96 E CA 1.378 58.088 56.400 0.517 0.000 0.801 96 E CB -0.650 29.314 29.700 0.440 0.000 0.743 96 E HN 0.649 nan 8.360 nan 0.000 0.453 97 A N 0.924 124.081 122.820 0.561 0.000 1.902 97 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 97 A C 2.203 180.122 177.584 0.558 0.000 1.181 97 A CA 1.988 54.443 52.037 0.697 0.000 0.623 97 A CB -0.411 19.069 19.000 0.800 0.000 0.818 97 A HN 0.228 nan 8.150 nan 0.000 0.443 98 M N -1.972 117.838 119.600 0.350 0.000 2.175 98 M HA -0.047 4.433 4.480 -0.000 0.000 0.264 98 M C 1.863 177.934 176.300 -0.382 0.000 1.063 98 M CA 1.440 56.658 55.300 -0.136 0.000 1.119 98 M CB -0.748 31.649 32.600 -0.337 0.000 1.377 98 M HN 0.489 nan 8.290 nan 0.000 0.415 99 Y N 0.262 120.434 120.300 -0.214 0.000 2.097 99 Y HA -0.084 4.466 4.550 -0.000 0.000 0.282 99 Y C 2.178 177.791 175.900 -0.478 0.000 1.152 99 Y CA 2.059 59.971 58.100 -0.314 0.000 1.136 99 Y CB -1.113 37.051 38.460 -0.492 0.000 0.975 99 Y HN 0.281 nan 8.280 nan 0.000 0.498 100 G N 0.033 108.427 108.800 -0.678 0.000 2.469 100 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.220 100 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.220 100 G C 1.673 175.725 174.900 -1.413 0.000 1.136 100 G CA 1.054 45.176 45.100 -1.630 0.000 0.759 100 G HN 0.595 nan 8.290 nan 0.000 0.562 101 N N -0.010 118.245 118.700 -0.742 0.000 2.120 101 N HA -0.028 4.712 4.740 -0.000 0.000 0.188 101 N C 2.179 177.311 175.510 -0.630 0.000 1.024 101 N CA 0.773 53.473 53.050 -0.583 0.000 0.852 101 N CB -0.135 37.645 38.487 -1.179 0.000 1.003 101 N HN 0.361 nan 8.380 nan 0.000 0.424 102 L N -0.255 120.572 121.223 -0.659 0.000 2.249 102 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 102 L C 2.098 178.701 176.870 -0.444 0.000 1.090 102 L CA 0.681 55.214 54.840 -0.513 0.000 0.802 102 L CB -0.262 41.518 42.059 -0.465 0.000 0.947 102 L HN 0.187 nan 8.230 nan 0.000 0.453 103 T N -1.124 113.047 114.554 -0.637 0.000 2.815 103 T HA 0.171 4.521 4.350 -0.000 0.000 0.244 103 T C 1.341 175.765 174.700 -0.460 0.000 1.040 103 T CA 1.264 63.012 62.100 -0.585 0.000 1.176 103 T CB 0.236 68.546 68.868 -0.931 0.000 0.880 103 T HN 0.473 nan 8.240 nan 0.000 0.414 104 G N 1.310 109.747 108.800 -0.604 0.000 2.425 104 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.177 104 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.177 104 G C -0.034 174.601 174.900 -0.441 0.000 0.999 104 G CA -0.264 44.599 45.100 -0.395 0.000 0.723 104 G HN 0.566 nan 8.290 nan 0.000 0.491 105 N N -0.271 118.088 118.700 -0.569 0.000 2.425 105 N HA 0.358 5.098 4.740 -0.000 0.000 0.268 105 N C 0.088 175.383 175.510 -0.358 0.000 0.991 105 N CA -0.757 52.112 53.050 -0.302 0.000 0.931 105 N CB 0.689 39.121 38.487 -0.092 0.000 1.130 105 N HN 0.237 nan 8.380 nan 0.000 0.493 106 W N 2.409 123.757 121.300 0.080 0.000 3.239 106 W HA 0.210 4.870 4.660 -0.000 0.000 0.368 106 W C 1.820 178.430 176.519 0.152 0.000 1.154 106 W CA -0.458 56.959 57.345 0.120 0.000 1.860 106 W CB 0.421 29.934 29.460 0.088 0.000 1.094 106 W HN 0.525 nan 8.180 nan 0.000 0.643 107 S N 0.614 116.495 115.700 0.302 0.000 2.359 107 S HA -0.248 4.222 4.470 -0.000 0.000 0.223 107 S C 2.263 177.025 174.600 0.270 0.000 1.039 107 S CA 1.782 60.133 58.200 0.252 0.000 1.042 107 S CB -1.165 62.161 63.200 0.211 0.000 0.915 107 S HN 0.482 nan 8.310 nan 0.000 0.439 108 G N 1.839 110.827 108.800 0.312 0.000 2.513 108 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.219 108 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.219 108 G C 1.467 176.533 174.900 0.277 0.000 1.160 108 G CA 1.312 46.601 45.100 0.315 0.000 0.767 108 G HN 0.427 nan 8.290 nan 0.000 0.571 109 V N 0.561 120.689 119.914 0.356 0.000 2.233 109 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 109 V C 2.640 178.905 176.094 0.286 0.000 1.050 109 V CA 2.450 64.964 62.300 0.356 0.000 1.010 109 V CB -0.711 31.381 31.823 0.449 0.000 0.637 109 V HN 0.478 nan 8.190 nan 0.000 0.444 110 E N -0.241 120.108 120.200 0.249 0.000 2.049 110 E HA -0.239 4.110 4.350 -0.000 0.000 0.198 110 E C 2.318 179.045 176.600 0.212 0.000 1.007 110 E CA 2.065 58.586 56.400 0.202 0.000 0.809 110 E CB -0.301 29.495 29.700 0.161 0.000 0.749 110 E HN 0.625 nan 8.360 nan 0.000 0.450 111 T N 0.690 115.359 114.554 0.191 0.000 2.652 111 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 111 T C 1.913 176.706 174.700 0.156 0.000 1.039 111 T CA 1.447 63.652 62.100 0.175 0.000 1.153 111 T CB -0.328 68.645 68.868 0.176 0.000 0.863 111 T HN 0.290 nan 8.240 nan 0.000 0.428 112 A N 1.138 123.974 122.820 0.026 0.000 1.883 112 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 112 A C 2.199 179.809 177.584 0.043 0.000 1.186 112 A CA 1.416 53.286 52.037 -0.278 0.000 0.624 112 A CB -1.118 17.450 19.000 -0.721 0.000 0.822 112 A HN 0.701 nan 8.150 nan 0.000 0.444 113 W N 0.824 122.132 121.300 0.013 0.000 2.363 113 W HA -0.166 4.493 4.660 -0.000 0.000 0.296 113 W C 2.192 178.739 176.519 0.046 0.000 1.212 113 W CA 2.140 59.513 57.345 0.047 0.000 1.260 113 W CB -0.218 29.279 29.460 0.062 0.000 1.131 113 W HN 0.467 nan 8.180 nan 0.000 0.530 114 K N 0.166 120.736 120.400 0.283 0.000 2.057 114 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 114 K C 1.837 178.513 176.600 0.126 0.000 1.049 114 K CA 2.001 58.400 56.287 0.187 0.000 0.931 114 K CB -0.456 32.144 32.500 0.165 0.000 0.714 114 K HN -0.072 nan 8.250 nan 0.000 0.440 115 V N 1.921 121.960 119.914 0.210 0.000 2.332 115 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 115 V C 2.463 178.664 176.094 0.179 0.000 1.055 115 V CA 2.192 64.707 62.300 0.358 0.000 1.038 115 V CB -0.530 31.627 31.823 0.556 0.000 0.651 115 V HN 0.522 nan 8.190 nan 0.000 0.450 116 M N -0.069 119.453 119.600 -0.130 0.000 2.080 116 M HA -0.256 4.224 4.480 -0.000 0.000 0.260 116 M C 2.257 178.249 176.300 -0.514 0.000 1.068 116 M CA 2.417 57.271 55.300 -0.744 0.000 1.109 116 M CB -0.249 31.837 32.600 -0.858 0.000 1.342 116 M HN 0.439 nan 8.290 nan 0.000 0.405 117 E N -0.028 119.979 120.200 -0.322 0.000 2.106 117 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 117 E C 1.475 177.956 176.600 -0.199 0.000 0.984 117 E CA 1.549 57.832 56.400 -0.195 0.000 0.806 117 E CB 0.064 29.789 29.700 0.042 0.000 0.750 117 E HN 0.522 nan 8.360 nan 0.000 0.458 118 D N -0.821 119.447 120.400 -0.220 0.000 2.117 118 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 118 D C 1.273 177.178 176.300 -0.659 0.000 0.987 118 D CA 1.099 54.816 54.000 -0.473 0.000 0.829 118 D CB -0.117 40.338 40.800 -0.574 0.000 0.961 118 D HN 0.369 nan 8.370 nan 0.000 0.460 119 W N -0.182 121.035 121.300 -0.137 0.000 2.922 119 W HA 0.350 5.009 4.660 -0.000 0.000 0.260 119 W C 2.128 178.545 176.519 -0.170 0.000 1.088 119 W CA -0.414 56.843 57.345 -0.146 0.000 1.694 119 W CB -0.084 29.343 29.460 -0.055 0.000 1.064 119 W HN -0.240 nan 8.180 nan 0.000 0.611 120 I N 0.287 120.821 120.570 -0.058 0.000 3.783 120 I HA 0.175 4.344 4.170 -0.000 0.000 0.310 120 I C 0.117 176.247 176.117 0.022 0.000 1.274 120 I CA 0.252 61.569 61.300 0.027 0.000 1.294 120 I CB 0.348 38.240 38.000 -0.178 0.000 1.051 120 I HN -0.281 nan 8.210 nan 0.000 0.435 121 I N 3.572 124.037 120.570 -0.176 0.000 2.301 121 I HA 0.222 4.391 4.170 -0.000 0.000 0.292 121 I C -2.172 173.819 176.117 -0.209 0.000 1.046 121 I CA -1.937 59.199 61.300 -0.273 0.000 1.282 121 I CB 0.310 38.012 38.000 -0.497 0.000 1.409 121 I HN -0.108 nan 8.210 nan 0.000 0.484 122 P HA -0.022 nan 4.420 nan 0.000 0.261 122 P C -0.860 176.298 177.300 -0.237 0.000 1.183 122 P CA -0.058 62.795 63.100 -0.412 0.000 0.761 122 P CB 0.207 31.329 31.700 -0.963 0.000 0.785 123 D N 0.791 121.096 120.400 -0.160 0.000 2.433 123 D HA 0.047 4.687 4.640 -0.000 0.000 0.255 123 D C 1.135 177.356 176.300 -0.131 0.000 1.226 123 D CA -0.507 53.420 54.000 -0.122 0.000 1.015 123 D CB -0.228 40.510 40.800 -0.104 0.000 1.091 123 D HN 0.218 nan 8.370 nan 0.000 0.527 124 S N -1.066 114.579 115.700 -0.091 0.000 2.374 124 S HA -0.260 4.210 4.470 -0.000 0.000 0.227 124 S C 1.856 176.377 174.600 -0.131 0.000 1.037 124 S CA 1.686 59.832 58.200 -0.090 0.000 1.024 124 S CB -1.404 61.769 63.200 -0.046 0.000 0.861 124 S HN 0.620 nan 8.310 nan 0.000 0.456 125 T N 1.945 116.427 114.554 -0.119 0.000 2.881 125 T HA -0.047 4.303 4.350 -0.000 0.000 0.270 125 T C 1.390 175.978 174.700 -0.186 0.000 1.068 125 T CA 1.529 63.555 62.100 -0.124 0.000 1.131 125 T CB -0.310 68.504 68.868 -0.089 0.000 0.871 125 T HN 0.628 nan 8.240 nan 0.000 0.479 126 E N 0.278 120.343 120.200 -0.225 0.000 2.474 126 E HA 0.117 4.467 4.350 -0.000 0.000 0.195 126 E C 0.671 176.880 176.600 -0.652 0.000 1.039 126 E CA 0.079 56.306 56.400 -0.288 0.000 0.881 126 E CB 0.388 30.012 29.700 -0.128 0.000 0.970 126 E HN 0.452 nan 8.360 nan 0.000 0.486 127 Q N 1.156 120.527 119.800 -0.714 0.000 2.318 127 Q HA 0.170 4.510 4.340 -0.000 0.000 0.371 127 Q C -2.494 173.117 176.000 -0.649 0.000 0.896 127 Q CA -1.546 53.554 55.803 -1.171 0.000 1.134 127 Q CB 1.010 29.474 28.738 -0.456 0.000 1.329 127 Q HN 0.079 nan 8.270 nan 0.000 0.413 128 P HA 0.004 nan 4.420 nan 0.000 0.267 128 P C 0.826 178.224 177.300 0.164 0.000 1.205 128 P CA 1.142 64.178 63.100 -0.107 0.000 0.765 128 P CB 1.101 32.738 31.700 -0.105 0.000 0.828 129 G N 2.759 111.641 108.800 0.137 0.000 2.176 129 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.232 129 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.232 129 G C 0.783 175.820 174.900 0.229 0.000 0.986 129 G CA 0.338 45.533 45.100 0.157 0.000 0.643 129 G HN 0.449 nan 8.290 nan 0.000 0.522 130 M N 2.331 122.107 119.600 0.293 0.000 2.149 130 M HA 0.009 4.489 4.480 -0.000 0.000 0.261 130 M C 2.642 179.115 176.300 0.288 0.000 1.064 130 M CA 2.536 58.032 55.300 0.327 0.000 1.102 130 M CB -0.564 32.232 32.600 0.328 0.000 1.369 130 M HN 0.874 nan 8.290 nan 0.000 0.408 131 S N -1.887 113.947 115.700 0.224 0.000 2.584 131 S HA -0.038 4.432 4.470 -0.000 0.000 0.240 131 S C 1.805 176.530 174.600 0.208 0.000 0.975 131 S CA 1.233 59.559 58.200 0.212 0.000 0.949 131 S CB -0.585 62.702 63.200 0.145 0.000 0.761 131 S HN 0.455 nan 8.310 nan 0.000 0.536 132 S N -0.041 115.791 115.700 0.220 0.000 2.503 132 S HA 0.231 4.701 4.470 -0.000 0.000 0.217 132 S C 0.247 174.976 174.600 0.215 0.000 0.999 132 S CA -0.598 57.722 58.200 0.201 0.000 0.914 132 S CB -0.405 62.919 63.200 0.208 0.000 0.782 132 S HN 0.726 nan 8.310 nan 0.000 0.520 133 Y N 3.767 124.135 120.300 0.113 0.000 2.987 133 Y HA -0.009 4.541 4.550 -0.000 0.000 0.339 133 Y C 0.187 176.090 175.900 0.006 0.000 1.272 133 Y CA -0.119 58.003 58.100 0.036 0.000 1.562 133 Y CB 0.106 38.495 38.460 -0.117 0.000 1.253 133 Y HN 0.035 nan 8.280 nan 0.000 0.604 134 N N 8.061 126.332 118.700 -0.714 0.000 2.621 134 N HA 0.340 5.080 4.740 -0.000 0.000 0.237 134 N C -2.321 172.673 175.510 -0.860 0.000 0.997 134 N CA -2.547 50.164 53.050 -0.565 0.000 0.918 134 N CB 1.433 39.774 38.487 -0.244 0.000 1.122 134 N HN 0.281 nan 8.380 nan 0.000 0.510 135 P HA -0.193 nan 4.420 nan 0.000 0.217 135 P C 0.891 177.947 177.300 -0.407 0.000 1.151 135 P CA 1.137 63.929 63.100 -0.514 0.000 0.849 135 P CB 0.209 31.786 31.700 -0.205 0.000 0.787 136 N N -1.208 117.318 118.700 -0.291 0.000 2.550 136 N HA -0.055 4.685 4.740 -0.000 0.000 0.186 136 N C -0.044 175.359 175.510 -0.178 0.000 1.110 136 N CA 0.676 53.601 53.050 -0.208 0.000 0.912 136 N CB 0.039 38.444 38.487 -0.136 0.000 0.968 136 N HN -0.060 nan 8.380 nan 0.000 0.448 137 S N 0.158 115.731 115.700 -0.210 0.000 2.512 137 S HA 0.336 4.806 4.470 -0.000 0.000 0.161 137 S C -2.135 172.426 174.600 -0.065 0.000 1.383 137 S CA -1.009 57.130 58.200 -0.101 0.000 1.248 137 S CB 1.077 64.247 63.200 -0.051 0.000 1.488 137 S HN 0.110 nan 8.310 nan 0.000 0.382 138 P HA 0.127 nan 4.420 nan 0.000 0.217 138 P C 0.368 177.935 177.300 0.446 0.000 1.150 138 P CA 0.925 64.120 63.100 0.158 0.000 0.832 138 P CB 0.296 32.135 31.700 0.231 0.000 0.787 139 A N -3.022 120.037 122.820 0.397 0.000 2.493 139 A HA 0.617 4.936 4.320 -0.000 0.000 0.300 139 A C -1.152 176.557 177.584 0.209 0.000 1.152 139 A CA -0.383 51.889 52.037 0.392 0.000 0.643 139 A CB 0.432 19.750 19.000 0.530 0.000 1.316 139 A HN -0.184 nan 8.150 nan 0.000 0.469 140 T N 0.831 115.405 114.554 0.034 0.000 2.794 140 T HA 0.496 4.846 4.350 -0.000 0.000 0.280 140 T C -0.782 173.666 174.700 -0.419 0.000 0.987 140 T CA 0.090 62.053 62.100 -0.228 0.000 0.993 140 T CB 0.592 69.163 68.868 -0.495 0.000 0.939 140 T HN 0.528 nan 8.240 nan 0.000 0.449 141 Y N 2.927 122.836 120.300 -0.652 0.000 2.511 141 Y HA 0.416 4.965 4.550 -0.000 0.000 0.332 141 Y C -0.069 175.503 175.900 -0.547 0.000 1.177 141 Y CA -0.323 57.211 58.100 -0.944 0.000 1.422 141 Y CB 0.155 38.228 38.460 -0.644 0.000 1.271 141 Y HN 0.731 nan 8.280 nan 0.000 0.550 142 A N 5.621 127.623 122.820 -1.363 0.000 2.455 142 A HA 0.387 4.707 4.320 -0.000 0.000 0.300 142 A C -1.115 175.833 177.584 -1.060 0.000 1.040 142 A CA -1.037 50.442 52.037 -0.929 0.000 0.697 142 A CB 0.789 19.562 19.000 -0.378 0.000 1.265 142 A HN 0.736 nan 8.150 nan 0.000 0.407 143 D N 1.544 121.541 120.400 -0.672 0.000 2.443 143 D HA 0.139 4.779 4.640 -0.000 0.000 0.234 143 D C 0.197 176.111 176.300 -0.642 0.000 1.172 143 D CA 0.971 54.629 54.000 -0.570 0.000 0.878 143 D CB 0.673 41.024 40.800 -0.749 0.000 1.204 143 D HN 0.564 nan 8.370 nan 0.000 0.453 144 E N 0.200 120.076 120.200 -0.541 0.000 2.212 144 E HA 0.473 4.822 4.350 -0.000 0.000 0.270 144 E C -0.762 175.473 176.600 -0.607 0.000 0.956 144 E CA -0.643 55.539 56.400 -0.364 0.000 0.825 144 E CB 1.411 31.045 29.700 -0.109 0.000 1.167 144 E HN 0.362 nan 8.360 nan 0.000 0.400 145 Y N -0.175 120.089 120.300 -0.060 0.000 2.605 145 Y HA 0.155 4.704 4.550 -0.000 0.000 0.343 145 Y C 0.553 176.370 175.900 -0.139 0.000 1.036 145 Y CA -0.821 57.122 58.100 -0.260 0.000 1.065 145 Y CB 1.567 39.710 38.460 -0.529 0.000 1.288 145 Y HN 0.456 nan 8.280 nan 0.000 0.481 146 E N 0.150 120.286 120.200 -0.106 0.000 2.481 146 E HA 0.032 4.382 4.350 -0.000 0.000 0.195 146 E C -0.894 175.747 176.600 0.069 0.000 1.047 146 E CA 0.493 56.858 56.400 -0.057 0.000 0.867 146 E CB 0.326 29.963 29.700 -0.105 0.000 0.858 146 E HN 0.447 nan 8.360 nan 0.000 0.513 147 D N -2.193 118.319 120.400 0.187 0.000 2.753 147 D HA 0.171 4.811 4.640 -0.000 0.000 0.224 147 D C -2.258 174.246 176.300 0.340 0.000 1.213 147 D CA -2.106 52.048 54.000 0.256 0.000 0.833 147 D CB 1.666 42.620 40.800 0.256 0.000 1.607 147 D HN -0.345 nan 8.370 nan 0.000 0.463 148 P HA -0.127 nan 4.420 nan 0.000 0.221 148 P C 1.114 178.395 177.300 -0.031 0.000 1.145 148 P CA 0.920 64.165 63.100 0.241 0.000 0.795 148 P CB 0.052 31.855 31.700 0.173 0.000 0.775 149 S N -2.225 113.219 115.700 -0.427 0.000 2.474 149 S HA -0.171 4.299 4.470 -0.000 0.000 0.235 149 S C 1.642 175.861 174.600 -0.635 0.000 0.997 149 S CA 0.725 58.190 58.200 -1.225 0.000 0.949 149 S CB -1.341 61.396 63.200 -0.770 0.000 0.766 149 S HN 0.131 nan 8.310 nan 0.000 0.517 150 Y N 0.265 120.380 120.300 -0.308 0.000 2.544 150 Y HA 0.331 4.881 4.550 -0.000 0.000 0.286 150 Y C 0.301 176.003 175.900 -0.328 0.000 1.141 150 Y CA -0.349 57.506 58.100 -0.408 0.000 1.299 150 Y CB -0.178 37.871 38.460 -0.685 0.000 1.030 150 Y HN 0.265 nan 8.280 nan 0.000 0.543 151 Y N 1.757 122.125 120.300 0.112 0.000 2.320 151 Y HA 0.302 4.851 4.550 -0.000 0.000 0.324 151 Y C -1.917 174.096 175.900 0.188 0.000 1.190 151 Y CA -3.399 54.825 58.100 0.207 0.000 1.215 151 Y CB 0.209 38.829 38.460 0.267 0.000 1.221 151 Y HN -0.147 nan 8.280 nan 0.000 0.486 152 P HA 0.020 nan 4.420 nan 0.000 0.271 152 P C -0.562 176.880 177.300 0.236 0.000 1.218 152 P CA -0.255 63.034 63.100 0.316 0.000 0.780 152 P CB 1.410 33.236 31.700 0.209 0.000 0.901 153 S N 0.701 116.572 115.700 0.286 0.000 2.525 153 S HA 0.159 4.629 4.470 -0.000 0.000 0.278 153 S C -0.216 174.464 174.600 0.134 0.000 1.234 153 S CA -0.616 57.696 58.200 0.187 0.000 1.058 153 S CB 0.193 63.450 63.200 0.096 0.000 0.983 153 S HN 0.471 nan 8.310 nan 0.000 0.495 154 E N 4.455 124.718 120.200 0.104 0.000 2.229 154 E HA 0.281 4.631 4.350 -0.000 0.000 0.283 154 E C -0.494 176.077 176.600 -0.049 0.000 1.030 154 E CA -0.507 55.927 56.400 0.056 0.000 0.836 154 E CB 0.532 30.279 29.700 0.079 0.000 1.068 154 E HN 0.624 nan 8.360 nan 0.000 0.401 155 L N 4.609 125.763 121.223 -0.116 0.000 2.485 155 L HA 0.087 4.427 4.340 -0.000 0.000 0.275 155 L C 0.302 176.978 176.870 -0.323 0.000 1.207 155 L CA 0.556 55.190 54.840 -0.343 0.000 0.855 155 L CB 0.284 42.004 42.059 -0.565 0.000 1.114 155 L HN 0.507 nan 8.230 nan 0.000 0.485 156 K N 3.988 124.155 120.400 -0.389 0.000 2.592 156 K HA 0.227 4.547 4.320 -0.000 0.000 0.212 156 K C 0.018 176.487 176.600 -0.218 0.000 1.013 156 K CA -0.276 55.908 56.287 -0.172 0.000 1.034 156 K CB 0.769 33.268 32.500 -0.001 0.000 1.292 156 K HN 0.352 nan 8.250 nan 0.000 0.521 157 F N 0.788 120.715 119.950 -0.038 0.000 2.259 157 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 157 F C 1.561 177.336 175.800 -0.041 0.000 1.088 157 F CA 1.124 59.095 58.000 -0.049 0.000 1.358 157 F CB 0.223 39.183 39.000 -0.065 0.000 1.040 157 F HN 0.388 nan 8.300 nan 0.000 0.505 158 D N -1.402 119.083 120.400 0.142 0.000 2.380 158 D HA 0.008 4.648 4.640 -0.000 0.000 0.212 158 D C 2.043 178.355 176.300 0.020 0.000 1.021 158 D CA 1.341 55.383 54.000 0.070 0.000 0.884 158 D CB -0.272 40.564 40.800 0.061 0.000 1.001 158 D HN 0.224 nan 8.370 nan 0.000 0.506 159 T N -0.937 113.621 114.554 0.006 0.000 3.057 159 T HA 0.164 4.514 4.350 -0.000 0.000 0.254 159 T C 0.902 175.560 174.700 -0.070 0.000 1.094 159 T CA 0.054 62.139 62.100 -0.024 0.000 1.088 159 T CB 0.752 69.612 68.868 -0.013 0.000 0.934 159 T HN -0.180 nan 8.240 nan 0.000 0.497 160 V N 1.905 121.765 119.914 -0.090 0.000 2.419 160 V HA 0.411 4.531 4.120 -0.000 0.000 0.287 160 V C -0.113 175.901 176.094 -0.133 0.000 1.017 160 V CA -1.196 61.003 62.300 -0.170 0.000 0.844 160 V CB 1.632 33.273 31.823 -0.302 0.000 1.011 160 V HN 0.201 nan 8.190 nan 0.000 0.429 161 R N 2.445 122.871 120.500 -0.122 0.000 2.594 161 R HA 0.628 4.968 4.340 -0.000 0.000 0.272 161 R C -0.743 175.506 176.300 -0.085 0.000 1.074 161 R CA -0.064 55.986 56.100 -0.083 0.000 1.105 161 R CB 1.371 31.628 30.300 -0.071 0.000 1.008 161 R HN 0.525 nan 8.270 nan 0.000 0.472 162 V N 1.883 121.780 119.914 -0.028 0.000 2.864 162 V HA 0.488 4.607 4.120 -0.000 0.000 0.314 162 V C 0.694 176.818 176.094 0.050 0.000 1.073 162 V CA -0.596 61.728 62.300 0.040 0.000 0.956 162 V CB 2.069 33.956 31.823 0.108 0.000 1.023 162 V HN 0.996 nan 8.190 nan 0.000 0.435 163 G N 1.536 110.409 108.800 0.122 0.000 2.563 163 G HA2 0.464 4.424 3.960 -0.000 0.000 0.283 163 G HA3 0.464 4.424 3.960 -0.000 0.000 0.283 163 G C -0.195 174.684 174.900 -0.034 0.000 1.309 163 G CA -0.278 44.872 45.100 0.083 0.000 1.022 163 G HN 0.665 nan 8.290 nan 0.000 0.501 164 S N -0.620 114.996 115.700 -0.140 0.000 2.608 164 S HA 0.340 4.810 4.470 -0.000 0.000 0.291 164 S C -0.630 173.536 174.600 -0.724 0.000 1.146 164 S CA -0.466 57.520 58.200 -0.357 0.000 1.043 164 S CB 1.709 64.769 63.200 -0.233 0.000 1.037 164 S HN 0.616 nan 8.310 nan 0.000 0.520 165 D N 2.159 121.995 120.400 -0.940 0.000 2.347 165 D HA 0.287 4.927 4.640 -0.000 0.000 0.235 165 D C -1.661 174.300 176.300 -0.565 0.000 1.149 165 D CA -2.068 51.278 54.000 -1.090 0.000 0.850 165 D CB 1.229 41.525 40.800 -0.839 0.000 1.061 165 D HN 0.129 nan 8.370 nan 0.000 0.487 166 P HA 0.038 nan 4.420 nan 0.000 0.255 166 P C 0.943 178.048 177.300 -0.325 0.000 1.248 166 P CA -0.000 62.828 63.100 -0.453 0.000 0.807 166 P CB 0.929 32.218 31.700 -0.686 0.000 1.150 167 V N -1.321 118.404 119.914 -0.315 0.000 3.379 167 V HA -0.029 4.091 4.120 -0.000 0.000 0.249 167 V C 2.403 178.474 176.094 -0.037 0.000 1.184 167 V CA 0.683 62.911 62.300 -0.121 0.000 1.106 167 V CB -0.718 31.055 31.823 -0.084 0.000 0.826 167 V HN 0.071 nan 8.190 nan 0.000 0.465 168 H N 1.236 120.247 119.070 -0.099 0.000 2.265 168 H HA -0.225 4.331 4.556 -0.000 0.000 0.295 168 H C 2.234 177.565 175.328 0.005 0.000 1.084 168 H CA 2.628 58.671 56.048 -0.007 0.000 1.261 168 H CB -0.242 29.607 29.762 0.145 0.000 1.360 168 H HN 0.455 nan 8.280 nan 0.000 0.487 169 N N -0.462 118.239 118.700 0.002 0.000 2.037 169 N HA -0.244 4.496 4.740 -0.000 0.000 0.196 169 N C 1.695 177.145 175.510 -0.101 0.000 1.034 169 N CA 1.701 54.720 53.050 -0.051 0.000 0.861 169 N CB -0.317 38.165 38.487 -0.008 0.000 1.039 169 N HN 0.420 nan 8.380 nan 0.000 0.427 170 D N 0.408 120.763 120.400 -0.076 0.000 2.133 170 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 170 D C 2.183 178.396 176.300 -0.144 0.000 0.997 170 D CA 1.032 54.984 54.000 -0.080 0.000 0.840 170 D CB -0.167 40.619 40.800 -0.023 0.000 0.947 170 D HN 0.327 nan 8.370 nan 0.000 0.452 171 L N -0.734 120.381 121.223 -0.180 0.000 2.131 171 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 171 L C 2.556 179.332 176.870 -0.157 0.000 1.087 171 L CA 0.305 55.013 54.840 -0.220 0.000 0.767 171 L CB -0.212 41.627 42.059 -0.367 0.000 0.917 171 L HN 0.013 nan 8.230 nan 0.000 0.441 172 V N -0.758 119.020 119.914 -0.226 0.000 2.295 172 V HA -0.303 3.816 4.120 -0.000 0.000 0.246 172 V C 2.710 178.740 176.094 -0.106 0.000 1.049 172 V CA 2.045 64.259 62.300 -0.143 0.000 1.024 172 V CB -0.379 31.321 31.823 -0.205 0.000 0.648 172 V HN 0.510 nan 8.190 nan 0.000 0.447 173 S N -0.046 115.573 115.700 -0.135 0.000 2.420 173 S HA -0.225 4.245 4.470 -0.000 0.000 0.237 173 S C 1.871 176.350 174.600 -0.202 0.000 1.023 173 S CA 1.950 60.072 58.200 -0.131 0.000 0.991 173 S CB -0.219 62.913 63.200 -0.114 0.000 0.792 173 S HN 0.631 nan 8.310 nan 0.000 0.488 174 A N -1.038 121.578 122.820 -0.341 0.000 2.014 174 A HA 0.356 4.675 4.320 -0.000 0.000 0.210 174 A C 1.273 178.460 177.584 -0.663 0.000 1.188 174 A CA 0.496 52.161 52.037 -0.621 0.000 0.731 174 A CB -0.193 18.209 19.000 -0.997 0.000 0.858 174 A HN 0.673 nan 8.150 nan 0.000 0.464 175 Y N -1.264 119.027 120.300 -0.016 0.000 2.499 175 Y HA 0.457 5.007 4.550 -0.000 0.000 0.253 175 Y C 1.298 177.235 175.900 0.061 0.000 1.105 175 Y CA -0.262 57.870 58.100 0.053 0.000 1.240 175 Y CB 0.251 38.838 38.460 0.212 0.000 1.289 175 Y HN 0.504 nan 8.280 nan 0.000 0.534 176 G N 1.472 110.355 108.800 0.139 0.000 2.610 176 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.304 176 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.304 176 G C -2.159 172.819 174.900 0.129 0.000 1.309 176 G CA -0.364 44.799 45.100 0.106 0.000 0.906 176 G HN -0.031 nan 8.290 nan 0.000 0.521 177 P HA 0.091 nan 4.420 nan 0.000 0.235 177 P C 0.279 177.687 177.300 0.180 0.000 1.177 177 P CA 0.509 63.704 63.100 0.158 0.000 0.785 177 P CB 0.042 31.835 31.700 0.154 0.000 0.885 178 N N 0.585 119.361 118.700 0.127 0.000 2.524 178 N HA 0.220 4.959 4.740 -0.000 0.000 0.283 178 N C 0.100 175.556 175.510 -0.090 0.000 1.142 178 N CA -0.432 52.648 53.050 0.051 0.000 0.984 178 N CB 0.482 38.973 38.487 0.007 0.000 1.155 178 N HN -0.051 nan 8.380 nan 0.000 0.467 179 M N 1.615 121.067 119.600 -0.246 0.000 2.233 179 M HA 0.081 4.561 4.480 -0.000 0.000 0.350 179 M C -0.858 174.961 176.300 -0.801 0.000 1.176 179 M CA 0.016 54.900 55.300 -0.693 0.000 1.150 179 M CB 0.192 32.150 32.600 -1.070 0.000 1.530 179 M HN 0.499 nan 8.290 nan 0.000 0.459 180 Y N 5.933 125.273 120.300 -1.601 0.000 2.726 180 Y HA 0.593 5.143 4.550 -0.000 0.000 0.367 180 Y C -1.761 173.819 175.900 -0.534 0.000 1.038 180 Y CA -0.449 57.085 58.100 -0.944 0.000 1.174 180 Y CB 0.259 38.157 38.460 -0.938 0.000 1.265 180 Y HN 0.583 nan 8.280 nan 0.000 0.622 181 L N 2.695 123.640 121.223 -0.463 0.000 2.350 181 L HA 0.566 4.905 4.340 -0.000 0.000 0.260 181 L C -0.574 176.214 176.870 -0.135 0.000 1.015 181 L CA -1.317 53.390 54.840 -0.221 0.000 0.821 181 L CB 2.486 44.473 42.059 -0.120 0.000 1.370 181 L HN 0.238 nan 8.230 nan 0.000 0.416 182 M N 0.739 120.296 119.600 -0.072 0.000 2.180 182 M HA 0.257 4.737 4.480 -0.000 0.000 0.358 182 M C -0.329 176.055 176.300 0.139 0.000 1.233 182 M CA -0.491 54.785 55.300 -0.039 0.000 1.114 182 M CB 0.818 33.371 32.600 -0.078 0.000 1.594 182 M HN 0.420 nan 8.290 nan 0.000 0.467 183 H N 3.580 122.660 119.070 0.016 0.000 2.790 183 H HA -0.055 4.501 4.556 -0.000 0.000 0.358 183 H C 0.521 175.993 175.328 0.240 0.000 1.103 183 H CA 0.529 56.630 56.048 0.088 0.000 1.426 183 H CB 0.674 30.334 29.762 -0.171 0.000 1.424 183 H HN 0.749 nan 8.280 nan 0.000 0.599 184 W N 4.931 125.932 121.300 -0.500 0.000 2.523 184 W HA 0.110 4.769 4.660 -0.000 0.000 0.278 184 W C -1.092 175.412 176.519 -0.025 0.000 1.236 184 W CA -0.129 57.108 57.345 -0.181 0.000 1.306 184 W CB -0.051 29.312 29.460 -0.162 0.000 1.101 184 W HN 0.355 nan 8.180 nan 0.000 0.577 185 L N 1.784 122.463 121.223 -0.907 0.000 2.385 185 L HA 0.579 4.919 4.340 -0.000 0.000 0.273 185 L C -0.826 175.984 176.870 -0.099 0.000 0.990 185 L CA -1.037 53.302 54.840 -0.835 0.000 0.821 185 L CB 1.988 43.068 42.059 -1.632 0.000 1.279 185 L HN 0.003 nan 8.230 nan 0.000 0.412 186 M N 3.437 123.022 119.600 -0.025 0.000 2.324 186 M HA 0.340 4.820 4.480 -0.000 0.000 0.288 186 M C -1.574 174.759 176.300 0.055 0.000 1.097 186 M CA -0.639 54.698 55.300 0.062 0.000 0.928 186 M CB 1.880 34.521 32.600 0.068 0.000 1.648 186 M HN 0.585 nan 8.290 nan 0.000 0.460 187 D N 3.874 124.331 120.400 0.093 0.000 2.435 187 D HA 0.179 4.819 4.640 -0.000 0.000 0.230 187 D C 0.878 177.251 176.300 0.121 0.000 1.215 187 D CA -0.021 54.090 54.000 0.185 0.000 0.947 187 D CB 0.870 41.834 40.800 0.273 0.000 1.048 187 D HN 0.452 nan 8.370 nan 0.000 0.512 188 V N 3.070 123.056 119.914 0.120 0.000 2.392 188 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 188 V C 0.975 177.081 176.094 0.021 0.000 1.059 188 V CA 1.614 63.914 62.300 0.000 0.000 1.051 188 V CB -0.136 31.672 31.823 -0.025 0.000 0.658 188 V HN 0.552 nan 8.190 nan 0.000 0.455 189 D N -1.149 119.345 120.400 0.158 0.000 2.620 189 D HA 0.155 4.795 4.640 -0.000 0.000 0.260 189 D C 0.281 176.663 176.300 0.137 0.000 1.367 189 D CA -0.140 53.943 54.000 0.138 0.000 0.805 189 D CB -0.005 40.919 40.800 0.207 0.000 1.096 189 D HN 0.332 nan 8.370 nan 0.000 0.488 190 N N 0.307 119.090 118.700 0.139 0.000 2.740 190 N HA -0.235 4.505 4.740 -0.000 0.000 0.248 190 N C 0.554 176.103 175.510 0.064 0.000 1.062 190 N CA 0.302 53.419 53.050 0.111 0.000 0.704 190 N CB -1.372 37.151 38.487 0.061 0.000 0.968 190 N HN 0.470 nan 8.380 nan 0.000 0.547 191 W N 0.088 121.323 121.300 -0.108 0.000 2.358 191 W HA -0.142 4.518 4.660 -0.000 0.000 0.303 191 W C 1.594 177.820 176.519 -0.488 0.000 1.208 191 W CA 1.811 58.951 57.345 -0.342 0.000 1.274 191 W CB -0.602 28.492 29.460 -0.610 0.000 1.138 191 W HN 0.410 nan 8.180 nan 0.000 0.515 192 Y N -0.003 120.161 120.300 -0.225 0.000 2.049 192 Y HA -0.029 4.521 4.550 -0.000 0.000 0.277 192 Y C 2.487 178.013 175.900 -0.624 0.000 1.143 192 Y CA 2.478 60.279 58.100 -0.499 0.000 1.115 192 Y CB -1.030 37.309 38.460 -0.202 0.000 0.975 192 Y HN 0.112 nan 8.280 nan 0.000 0.487 193 G N -2.581 106.066 108.800 -0.255 0.000 2.141 193 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.164 193 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.164 193 G C 0.475 175.149 174.900 -0.377 0.000 1.009 193 G CA -0.011 44.908 45.100 -0.302 0.000 0.677 193 G HN 0.268 nan 8.290 nan 0.000 0.508 194 F N 1.267 121.143 119.950 -0.123 0.000 2.604 194 F HA 0.275 4.802 4.527 -0.000 0.000 0.298 194 F C 2.220 178.106 175.800 0.144 0.000 1.131 194 F CA 1.286 59.263 58.000 -0.038 0.000 1.457 194 F CB -0.074 38.953 39.000 0.044 0.000 1.095 194 F HN 0.397 nan 8.300 nan 0.000 0.574 195 G N -1.087 107.853 108.800 0.234 0.000 2.773 195 G HA2 0.385 4.345 3.960 -0.000 0.000 0.186 195 G HA3 0.385 4.345 3.960 -0.000 0.000 0.186 195 G C -0.746 174.244 174.900 0.149 0.000 1.411 195 G CA -0.265 44.951 45.100 0.193 0.000 1.054 195 G HN -0.023 nan 8.290 nan 0.000 0.579 196 T N 0.134 114.754 114.554 0.111 0.000 2.963 196 T HA 0.571 4.921 4.350 -0.000 0.000 0.328 196 T C 0.577 175.315 174.700 0.062 0.000 1.048 196 T CA 0.795 62.948 62.100 0.089 0.000 1.033 196 T CB 0.437 69.360 68.868 0.090 0.000 1.010 196 T HN 1.753 nan 8.240 nan 0.000 0.469 197 G N 2.948 111.774 108.800 0.042 0.000 2.527 197 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.262 197 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.262 197 G C 0.783 175.698 174.900 0.026 0.000 1.153 197 G CA 0.292 45.409 45.100 0.029 0.000 0.954 197 G HN 0.679 nan 8.290 nan 0.000 0.552 198 T N 1.809 116.382 114.554 0.031 0.000 3.223 198 T HA 0.412 4.762 4.350 -0.000 0.000 0.259 198 T C 0.840 175.553 174.700 0.022 0.000 1.015 198 T CA 0.375 62.493 62.100 0.031 0.000 0.908 198 T CB -0.366 68.520 68.868 0.031 0.000 1.054 198 T HN 0.452 nan 8.240 nan 0.000 0.567 199 R N 1.737 122.256 120.500 0.032 0.000 2.221 199 R HA 0.585 4.925 4.340 -0.000 0.000 0.327 199 R C 0.312 176.617 176.300 0.009 0.000 1.033 199 R CA -0.446 55.670 56.100 0.026 0.000 0.887 199 R CB 1.023 31.367 30.300 0.072 0.000 1.057 199 R HN 0.324 nan 8.270 nan 0.000 0.455 200 A N 3.276 126.044 122.820 -0.086 0.000 2.581 200 A HA -0.045 4.275 4.320 -0.000 0.000 0.257 200 A C -0.034 177.511 177.584 -0.065 0.000 1.022 200 A CA 0.735 52.693 52.037 -0.132 0.000 0.812 200 A CB -0.130 18.651 19.000 -0.366 0.000 0.918 200 A HN 0.622 nan 8.150 nan 0.000 0.516 201 T N 3.134 117.664 114.554 -0.041 0.000 2.856 201 T HA 0.511 4.861 4.350 -0.000 0.000 0.283 201 T C -0.292 174.380 174.700 -0.047 0.000 1.008 201 T CA -0.142 61.950 62.100 -0.013 0.000 0.997 201 T CB 0.644 69.586 68.868 0.122 0.000 0.992 201 T HN 0.364 nan 8.240 nan 0.000 0.454 202 F N 3.845 123.832 119.950 0.062 0.000 2.472 202 F HA 0.440 4.967 4.527 -0.000 0.000 0.364 202 F C 0.756 176.503 175.800 -0.088 0.000 1.090 202 F CA -0.655 57.345 58.000 -0.000 0.000 1.188 202 F CB 0.279 39.264 39.000 -0.025 0.000 1.105 202 F HN 0.388 nan 8.300 nan 0.000 0.536 203 I N 0.572 121.214 120.570 0.121 0.000 2.892 203 I HA 0.663 4.833 4.170 -0.000 0.000 0.306 203 I C -1.086 174.994 176.117 -0.061 0.000 1.078 203 I CA -0.959 60.274 61.300 -0.111 0.000 1.032 203 I CB 2.243 40.135 38.000 -0.181 0.000 1.229 203 I HN 0.351 nan 8.210 nan 0.000 0.435 204 N N 0.489 118.996 118.700 -0.323 0.000 2.577 204 N HA 0.687 5.427 4.740 -0.000 0.000 0.285 204 N C -0.178 175.239 175.510 -0.155 0.000 1.309 204 N CA 0.146 53.106 53.050 -0.149 0.000 0.798 204 N CB 2.369 40.771 38.487 -0.141 0.000 1.463 204 N HN 0.949 nan 8.380 nan 0.000 0.518 205 T N -2.956 111.694 114.554 0.159 0.000 3.511 205 T HA 0.348 4.698 4.350 -0.000 0.000 0.220 205 T C 0.235 174.884 174.700 -0.086 0.000 0.962 205 T CA -0.153 61.956 62.100 0.014 0.000 1.099 205 T CB -0.586 68.141 68.868 -0.235 0.000 1.197 205 T HN 0.192 nan 8.240 nan 0.000 0.343 206 F N 3.316 123.324 119.950 0.098 0.000 2.623 206 F HA 0.360 4.887 4.527 -0.000 0.000 0.383 206 F C 1.730 177.430 175.800 -0.168 0.000 1.077 206 F CA 0.269 58.264 58.000 -0.009 0.000 1.268 206 F CB 0.382 39.428 39.000 0.077 0.000 1.053 206 F HN 0.279 nan 8.300 nan 0.000 0.571 207 Q N 1.853 121.560 119.800 -0.157 0.000 1.891 207 Q HA 0.124 4.464 4.340 -0.000 0.000 0.206 207 Q C 0.480 176.223 176.000 -0.429 0.000 0.710 207 Q CA 0.107 55.666 55.803 -0.406 0.000 0.840 207 Q CB 0.676 28.715 28.738 -1.166 0.000 1.211 207 Q HN 0.664 nan 8.270 nan 0.000 0.424 208 R N 0.882 121.150 120.500 -0.387 0.000 2.865 208 R HA 0.459 4.799 4.340 -0.000 0.000 0.370 208 R C 0.276 176.367 176.300 -0.348 0.000 1.168 208 R CA 0.403 55.987 56.100 -0.860 0.000 1.058 208 R CB 1.092 31.076 30.300 -0.527 0.000 1.419 208 R HN 0.243 nan 8.270 nan 0.000 0.580 209 G N 1.721 110.460 108.800 -0.101 0.000 2.725 209 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.220 209 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.220 209 G C 0.649 175.578 174.900 0.048 0.000 1.357 209 G CA 0.070 45.211 45.100 0.068 0.000 0.866 209 G HN 0.500 nan 8.290 nan 0.000 0.548 210 E N -1.015 119.162 120.200 -0.038 0.000 2.204 210 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 210 E C 1.678 178.361 176.600 0.137 0.000 0.989 210 E CA 1.354 57.703 56.400 -0.084 0.000 0.824 210 E CB -0.024 29.549 29.700 -0.211 0.000 0.756 210 E HN 0.378 nan 8.360 nan 0.000 0.477 211 Q N 0.802 120.685 119.800 0.137 0.000 2.320 211 Q HA 0.096 4.436 4.340 -0.000 0.000 0.201 211 Q C -0.174 175.941 176.000 0.192 0.000 0.910 211 Q CA 0.244 56.138 55.803 0.152 0.000 0.946 211 Q CB 0.585 29.395 28.738 0.120 0.000 1.062 211 Q HN 0.409 nan 8.270 nan 0.000 0.503 212 E N 1.920 122.268 120.200 0.246 0.000 1.936 212 E HA 0.130 4.479 4.350 -0.000 0.000 0.267 212 E C -0.329 176.429 176.600 0.263 0.000 1.076 212 E CA -0.201 56.345 56.400 0.244 0.000 0.870 212 E CB 0.451 30.282 29.700 0.218 0.000 1.093 212 E HN 0.135 nan 8.360 nan 0.000 0.411 213 S N 2.213 118.044 115.700 0.218 0.000 2.626 213 S HA 0.052 4.522 4.470 -0.000 0.000 0.257 213 S C 1.321 176.039 174.600 0.198 0.000 1.288 213 S CA -0.216 58.108 58.200 0.208 0.000 0.980 213 S CB 1.073 64.431 63.200 0.263 0.000 0.975 213 S HN 0.428 nan 8.310 nan 0.000 0.577 214 T N -0.066 114.553 114.554 0.108 0.000 2.849 214 T HA -0.116 4.233 4.350 -0.000 0.000 0.270 214 T C 0.900 175.455 174.700 -0.242 0.000 1.066 214 T CA 1.649 63.641 62.100 -0.179 0.000 1.130 214 T CB -0.531 68.134 68.868 -0.340 0.000 0.864 214 T HN 0.745 nan 8.240 nan 0.000 0.481 215 W N 1.769 123.063 121.300 -0.010 0.000 2.937 215 W HA 0.196 4.855 4.660 -0.000 0.000 0.245 215 W C 1.700 178.330 176.519 0.185 0.000 1.306 215 W CA -0.101 57.239 57.345 -0.007 0.000 1.470 215 W CB -0.074 29.283 29.460 -0.173 0.000 1.132 215 W HN 0.347 nan 8.180 nan 0.000 0.675 216 E N -0.595 119.774 120.200 0.282 0.000 2.583 216 E HA 0.040 4.390 4.350 -0.000 0.000 0.213 216 E C 0.819 177.508 176.600 0.148 0.000 0.989 216 E CA 0.042 56.582 56.400 0.235 0.000 0.991 216 E CB 0.320 30.155 29.700 0.225 0.000 1.040 216 E HN -0.009 nan 8.360 nan 0.000 0.481 217 T N -1.149 113.440 114.554 0.058 0.000 2.847 217 T HA 0.512 4.862 4.350 -0.000 0.000 0.279 217 T C 0.289 175.009 174.700 0.034 0.000 0.984 217 T CA -0.543 61.538 62.100 -0.033 0.000 0.988 217 T CB 1.287 70.004 68.868 -0.251 0.000 1.040 217 T HN -0.037 nan 8.240 nan 0.000 0.528 218 I N 2.237 122.838 120.570 0.051 0.000 2.464 218 I HA 0.310 4.480 4.170 -0.000 0.000 0.277 218 I C -2.464 173.665 176.117 0.019 0.000 1.040 218 I CA -2.635 58.714 61.300 0.081 0.000 1.153 218 I CB 1.628 39.719 38.000 0.152 0.000 1.274 218 I HN 0.418 nan 8.210 nan 0.000 0.469 219 P HA -0.017 nan 4.420 nan 0.000 0.264 219 P C -1.013 176.128 177.300 -0.266 0.000 1.179 219 P CA 0.687 63.680 63.100 -0.178 0.000 0.763 219 P CB 0.277 31.650 31.700 -0.544 0.000 0.806 220 H N 0.823 119.432 119.070 -0.769 0.000 3.017 220 H HA 0.502 5.058 4.556 -0.000 0.000 0.346 220 H C -3.278 171.392 175.328 -1.097 0.000 1.286 220 H CA -2.970 52.274 56.048 -1.339 0.000 1.120 220 H CB 0.492 29.525 29.762 -1.215 0.000 1.860 220 H HN 0.105 nan 8.280 nan 0.000 0.542 221 P HA 0.179 nan 4.420 nan 0.000 0.285 221 P C 0.346 177.425 177.300 -0.369 0.000 1.259 221 P CA -0.309 62.390 63.100 -0.669 0.000 0.794 221 P CB 1.504 32.955 31.700 -0.416 0.000 0.940 222 S N 2.165 117.699 115.700 -0.277 0.000 2.382 222 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 222 S C 1.167 175.645 174.600 -0.203 0.000 1.027 222 S CA 0.953 58.979 58.200 -0.289 0.000 0.991 222 S CB -0.545 62.433 63.200 -0.370 0.000 0.823 222 S HN 0.486 nan 8.310 nan 0.000 0.469 223 I N 2.443 122.978 120.570 -0.057 0.000 2.281 223 I HA 0.178 4.348 4.170 -0.000 0.000 0.293 223 I C -0.087 176.079 176.117 0.082 0.000 1.085 223 I CA -0.318 61.002 61.300 0.033 0.000 1.257 223 I CB 0.685 38.740 38.000 0.092 0.000 1.430 223 I HN -0.009 nan 8.210 nan 0.000 0.489 224 E N 6.093 126.358 120.200 0.109 0.000 1.996 224 E HA 0.093 4.442 4.350 -0.000 0.000 0.280 224 E C 0.042 176.699 176.600 0.096 0.000 1.092 224 E CA 0.256 56.774 56.400 0.198 0.000 0.862 224 E CB 0.427 30.308 29.700 0.301 0.000 1.066 224 E HN 0.470 nan 8.360 nan 0.000 0.396 225 E N 4.119 124.391 120.200 0.121 0.000 2.569 225 E HA 0.100 4.450 4.350 -0.000 0.000 0.205 225 E C -0.417 176.230 176.600 0.078 0.000 1.006 225 E CA -0.205 56.191 56.400 -0.006 0.000 0.985 225 E CB 0.043 29.769 29.700 0.042 0.000 1.060 225 E HN 0.569 nan 8.360 nan 0.000 0.460 226 F N -1.380 118.638 119.950 0.113 0.000 3.059 226 F HA -0.349 4.178 4.527 -0.000 0.000 0.290 226 F C 1.759 177.543 175.800 -0.028 0.000 0.786 226 F CA 1.340 59.375 58.000 0.058 0.000 1.060 226 F CB -2.267 36.756 39.000 0.038 0.000 1.327 226 F HN 0.250 nan 8.300 nan 0.000 0.409 227 K N -1.021 119.440 120.400 0.101 0.000 2.432 227 K HA 0.190 4.510 4.320 -0.000 0.000 0.196 227 K C 0.435 176.607 176.600 -0.714 0.000 1.038 227 K CA 1.722 57.846 56.287 -0.273 0.000 0.986 227 K CB -0.261 32.052 32.500 -0.313 0.000 0.782 227 K HN 0.456 nan 8.250 nan 0.000 0.485 228 Y N -2.533 117.932 120.300 0.275 0.000 2.876 228 Y HA 0.478 5.028 4.550 -0.000 0.000 0.317 228 Y C 1.560 177.469 175.900 0.015 0.000 1.369 228 Y CA -0.838 57.412 58.100 0.250 0.000 1.101 228 Y CB 1.254 40.021 38.460 0.511 0.000 1.346 228 Y HN 0.334 nan 8.280 nan 0.000 0.505 229 G N 0.150 108.972 108.800 0.037 0.000 2.556 229 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.283 229 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.283 229 G C 0.364 175.029 174.900 -0.391 0.000 1.177 229 G CA -0.053 44.707 45.100 -0.567 0.000 0.978 229 G HN 1.296 nan 8.290 nan 0.000 0.554 230 G N -0.756 107.721 108.800 -0.538 0.000 2.782 230 G HA2 0.646 4.605 3.960 -0.000 0.000 0.201 230 G HA3 0.646 4.605 3.960 -0.000 0.000 0.201 230 G C -0.886 173.707 174.900 -0.511 0.000 1.374 230 G CA 0.529 45.199 45.100 -0.718 0.000 1.039 230 G HN 0.608 nan 8.290 nan 0.000 0.576 231 P HA -0.050 nan 4.420 nan 0.000 0.215 231 P C 0.846 177.786 177.300 -0.600 0.000 1.153 231 P CA 0.979 63.817 63.100 -0.437 0.000 0.853 231 P CB 0.201 31.671 31.700 -0.383 0.000 0.788 232 N N -0.855 117.436 118.700 -0.682 0.000 2.321 232 N HA 0.172 4.912 4.740 -0.000 0.000 0.242 232 N C 1.179 176.211 175.510 -0.796 0.000 1.141 232 N CA 0.765 53.199 53.050 -1.026 0.000 0.864 232 N CB 0.474 38.501 38.487 -0.767 0.000 1.100 232 N HN 0.107 nan 8.380 nan 0.000 0.510 233 G N 1.642 110.146 108.800 -0.493 0.000 2.561 233 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.289 233 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.289 233 G C 0.330 175.137 174.900 -0.155 0.000 1.169 233 G CA 0.374 45.445 45.100 -0.049 0.000 0.980 233 G HN 0.291 nan 8.290 nan 0.000 0.550 234 F N 0.950 121.016 119.950 0.193 0.000 2.727 234 F HA 0.420 4.947 4.527 -0.000 0.000 0.302 234 F C 2.571 178.285 175.800 -0.143 0.000 1.107 234 F CA 0.471 58.487 58.000 0.027 0.000 1.277 234 F CB -0.190 38.830 39.000 0.033 0.000 1.079 234 F HN 0.257 nan 8.300 nan 0.000 0.594 235 L N 0.865 122.235 121.223 0.245 0.000 2.058 235 L HA -0.329 4.011 4.340 -0.000 0.000 0.226 235 L C 1.885 178.799 176.870 0.073 0.000 1.089 235 L CA 2.132 57.122 54.840 0.250 0.000 0.799 235 L CB -0.851 41.442 42.059 0.390 0.000 0.900 235 L HN 0.253 nan 8.230 nan 0.000 0.442 236 D N -0.615 119.709 120.400 -0.126 0.000 2.363 236 D HA -0.068 4.572 4.640 -0.000 0.000 0.226 236 D C 1.990 178.148 176.300 -0.236 0.000 1.020 236 D CA 0.464 54.389 54.000 -0.125 0.000 0.892 236 D CB -0.373 40.258 40.800 -0.282 0.000 0.900 236 D HN 0.359 nan 8.370 nan 0.000 0.531 237 L N -1.135 119.722 121.223 -0.609 0.000 2.156 237 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 237 L C 1.402 177.980 176.870 -0.486 0.000 1.095 237 L CA 0.853 55.135 54.840 -0.930 0.000 0.770 237 L CB -0.221 40.862 42.059 -1.626 0.000 0.914 237 L HN -0.019 nan 8.230 nan 0.000 0.439 238 F N -1.983 117.993 119.950 0.043 0.000 2.557 238 F HA 0.173 4.700 4.527 -0.000 0.000 0.278 238 F C 1.163 177.102 175.800 0.231 0.000 1.051 238 F CA -0.176 57.893 58.000 0.116 0.000 1.357 238 F CB -0.191 38.826 39.000 0.029 0.000 1.104 238 F HN -0.189 nan 8.300 nan 0.000 0.654 239 T N 0.381 115.150 114.554 0.358 0.000 2.921 239 T HA 0.344 4.694 4.350 -0.000 0.000 0.297 239 T C -1.137 173.743 174.700 0.300 0.000 1.013 239 T CA -0.780 61.492 62.100 0.287 0.000 0.990 239 T CB 1.604 70.593 68.868 0.202 0.000 1.023 239 T HN 0.045 nan 8.240 nan 0.000 0.447 240 K N 3.685 124.227 120.400 0.236 0.000 2.276 240 K HA 0.360 4.680 4.320 -0.000 0.000 0.285 240 K C -0.841 175.832 176.600 0.122 0.000 1.062 240 K CA -0.517 55.920 56.287 0.250 0.000 0.918 240 K CB 0.621 33.238 32.500 0.194 0.000 1.055 240 K HN 0.650 nan 8.250 nan 0.000 0.477 241 D N 2.589 122.967 120.400 -0.036 0.000 2.414 241 D HA 0.274 4.914 4.640 -0.000 0.000 0.241 241 D C 0.690 176.842 176.300 -0.246 0.000 1.008 241 D CA -0.506 53.383 54.000 -0.184 0.000 1.001 241 D CB 1.503 42.040 40.800 -0.438 0.000 1.277 241 D HN 0.453 nan 8.370 nan 0.000 0.538 242 R N -0.237 120.174 120.500 -0.148 0.000 2.092 242 R HA 0.035 4.375 4.340 -0.000 0.000 0.231 242 R C 0.559 176.730 176.300 -0.215 0.000 1.119 242 R CA 0.822 56.831 56.100 -0.152 0.000 0.970 242 R CB -0.023 30.178 30.300 -0.165 0.000 0.864 242 R HN 0.425 nan 8.270 nan 0.000 0.440 243 S N -1.683 113.816 115.700 -0.335 0.000 2.556 243 S HA 0.468 4.938 4.470 -0.000 0.000 0.271 243 S C -1.301 173.081 174.600 -0.363 0.000 1.135 243 S CA -1.143 56.905 58.200 -0.254 0.000 0.858 243 S CB 1.150 64.302 63.200 -0.081 0.000 1.114 243 S HN 0.057 nan 8.310 nan 0.000 0.468 244 Y N 0.383 120.767 120.300 0.141 0.000 2.420 244 Y HA 0.817 5.367 4.550 -0.000 0.000 0.334 244 Y C 0.503 176.628 175.900 0.375 0.000 1.094 244 Y CA -0.406 57.843 58.100 0.248 0.000 1.126 244 Y CB 2.012 40.600 38.460 0.213 0.000 1.217 244 Y HN 1.150 nan 8.280 nan 0.000 0.462 245 A N 2.218 125.380 122.820 0.571 0.000 2.549 245 A HA 0.574 4.894 4.320 -0.000 0.000 0.297 245 A C -1.221 176.500 177.584 0.230 0.000 1.061 245 A CA -1.320 50.960 52.037 0.405 0.000 0.690 245 A CB 1.181 20.401 19.000 0.366 0.000 1.287 245 A HN 0.731 nan 8.150 nan 0.000 0.402 246 K N 1.375 121.652 120.400 -0.206 0.000 2.485 246 K HA 0.281 4.600 4.320 -0.000 0.000 0.277 246 K C 0.038 176.636 176.600 -0.003 0.000 0.990 246 K CA 0.480 56.563 56.287 -0.341 0.000 0.994 246 K CB 0.181 32.435 32.500 -0.410 0.000 0.906 246 K HN 0.817 nan 8.250 nan 0.000 0.488 247 Q N 2.401 122.221 119.800 0.033 0.000 2.630 247 Q HA 0.453 4.793 4.340 -0.000 0.000 0.295 247 Q C -1.463 174.556 176.000 0.033 0.000 0.944 247 Q CA -1.184 54.624 55.803 0.008 0.000 0.766 247 Q CB 1.349 30.164 28.738 0.129 0.000 1.471 247 Q HN 0.740 nan 8.270 nan 0.000 0.416 248 W N 0.275 121.469 121.300 -0.177 0.000 2.882 248 W HA 0.853 5.513 4.660 -0.000 0.000 0.345 248 W C -1.096 175.158 176.519 -0.442 0.000 1.125 248 W CA -0.876 56.258 57.345 -0.353 0.000 1.167 248 W CB 1.580 30.789 29.460 -0.418 0.000 1.431 248 W HN 0.934 nan 8.180 nan 0.000 0.543 249 R N 1.213 121.356 120.500 -0.594 0.000 2.633 249 R HA 0.390 4.730 4.340 -0.000 0.000 0.255 249 R C -2.434 173.283 176.300 -0.973 0.000 1.106 249 R CA -0.615 55.053 56.100 -0.720 0.000 0.959 249 R CB 0.608 30.837 30.300 -0.119 0.000 1.259 249 R HN 0.581 nan 8.270 nan 0.000 0.453 250 Y N 0.114 120.012 120.300 -0.671 0.000 2.630 250 Y HA 0.739 5.289 4.550 -0.000 0.000 0.337 250 Y C 0.136 175.886 175.900 -0.250 0.000 1.051 250 Y CA -0.858 56.895 58.100 -0.578 0.000 1.121 250 Y CB 2.668 40.454 38.460 -1.123 0.000 1.299 250 Y HN 0.625 nan 8.280 nan 0.000 0.498 251 T N 2.169 116.946 114.554 0.373 0.000 2.991 251 T HA 0.245 4.595 4.350 -0.000 0.000 0.303 251 T C -1.003 173.894 174.700 0.329 0.000 1.015 251 T CA -1.160 61.129 62.100 0.315 0.000 1.007 251 T CB 0.847 69.813 68.868 0.164 0.000 1.034 251 T HN 0.677 nan 8.240 nan 0.000 0.446 252 N N 1.382 120.328 118.700 0.409 0.000 2.476 252 N HA 0.604 5.344 4.740 -0.000 0.000 0.275 252 N C -0.941 174.656 175.510 0.145 0.000 1.190 252 N CA -0.873 52.349 53.050 0.287 0.000 0.977 252 N CB 1.379 40.043 38.487 0.295 0.000 1.200 252 N HN 0.649 nan 8.380 nan 0.000 0.515 253 A N 1.380 124.231 122.820 0.051 0.000 2.399 253 A HA 0.484 4.804 4.320 -0.000 0.000 0.327 253 A C -1.831 175.644 177.584 -0.182 0.000 1.367 253 A CA -1.487 50.470 52.037 -0.134 0.000 0.842 253 A CB 1.010 19.885 19.000 -0.208 0.000 1.142 253 A HN 0.602 nan 8.150 nan 0.000 0.495 254 P HA -0.197 nan 4.420 nan 0.000 0.218 254 P C 0.902 178.094 177.300 -0.180 0.000 1.146 254 P CA 1.597 64.658 63.100 -0.065 0.000 0.813 254 P CB 0.152 31.880 31.700 0.046 0.000 0.778 255 D N -0.461 119.665 120.400 -0.457 0.000 2.310 255 D HA -0.100 4.540 4.640 -0.000 0.000 0.212 255 D C 1.637 177.755 176.300 -0.304 0.000 0.965 255 D CA 1.164 54.916 54.000 -0.413 0.000 0.879 255 D CB -0.749 39.675 40.800 -0.627 0.000 0.921 255 D HN 0.135 nan 8.370 nan 0.000 0.510 256 A N 1.153 123.829 122.820 -0.239 0.000 1.840 256 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 256 A C 2.174 179.700 177.584 -0.096 0.000 1.198 256 A CA 1.405 53.356 52.037 -0.143 0.000 0.608 256 A CB -0.634 18.341 19.000 -0.041 0.000 0.839 256 A HN 0.111 nan 8.150 nan 0.000 0.443 257 E N -0.058 120.110 120.200 -0.054 0.000 2.065 257 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 257 E C 2.051 178.644 176.600 -0.011 0.000 1.016 257 E CA 1.618 58.015 56.400 -0.004 0.000 0.818 257 E CB -0.741 28.986 29.700 0.045 0.000 0.749 257 E HN 0.568 nan 8.360 nan 0.000 0.453 258 G N 0.424 109.195 108.800 -0.049 0.000 2.469 258 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.219 258 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.219 258 G C 1.561 176.381 174.900 -0.134 0.000 1.150 258 G CA 1.066 46.119 45.100 -0.078 0.000 0.763 258 G HN 0.166 nan 8.290 nan 0.000 0.561 259 R N 0.501 120.876 120.500 -0.208 0.000 2.092 259 R HA 0.097 4.437 4.340 -0.000 0.000 0.231 259 R C 2.898 179.054 176.300 -0.240 0.000 1.119 259 R CA 1.317 57.206 56.100 -0.352 0.000 0.970 259 R CB -0.371 29.636 30.300 -0.488 0.000 0.864 259 R HN 0.288 nan 8.270 nan 0.000 0.440 260 A N 1.272 124.053 122.820 -0.065 0.000 1.883 260 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 260 A C 2.137 179.861 177.584 0.234 0.000 1.186 260 A CA 1.559 53.675 52.037 0.130 0.000 0.624 260 A CB -0.544 18.531 19.000 0.126 0.000 0.822 260 A HN 0.348 nan 8.150 nan 0.000 0.444 261 I N -0.547 120.116 120.570 0.156 0.000 2.179 261 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 261 I C 2.781 178.886 176.117 -0.020 0.000 1.088 261 I CA 1.826 63.181 61.300 0.092 0.000 1.357 261 I CB -0.450 37.535 38.000 -0.026 0.000 1.051 261 I HN 0.570 nan 8.210 nan 0.000 0.409 262 Q N 1.292 121.058 119.800 -0.056 0.000 2.096 262 Q HA -0.317 4.023 4.340 -0.000 0.000 0.208 262 Q C 2.261 178.339 176.000 0.131 0.000 0.993 262 Q CA 2.579 58.397 55.803 0.024 0.000 0.862 262 Q CB -0.198 28.478 28.738 -0.103 0.000 0.915 262 Q HN 0.566 nan 8.270 nan 0.000 0.416 263 A N -0.146 122.705 122.820 0.052 0.000 1.898 263 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 263 A C 2.220 180.021 177.584 0.361 0.000 1.181 263 A CA 1.478 53.665 52.037 0.249 0.000 0.620 263 A CB -0.653 18.520 19.000 0.287 0.000 0.819 263 A HN 0.322 nan 8.150 nan 0.000 0.442 264 V N -1.102 118.985 119.914 0.288 0.000 2.407 264 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 264 V C 2.342 178.576 176.094 0.234 0.000 1.055 264 V CA 2.006 64.462 62.300 0.261 0.000 1.049 264 V CB -1.233 30.721 31.823 0.218 0.000 0.662 264 V HN 0.721 nan 8.190 nan 0.000 0.455 265 Y N -0.164 120.088 120.300 -0.080 0.000 2.151 265 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 265 Y C 2.132 177.835 175.900 -0.329 0.000 1.166 265 Y CA 1.945 59.820 58.100 -0.374 0.000 1.163 265 Y CB -0.350 37.659 38.460 -0.751 0.000 0.974 265 Y HN 0.291 nan 8.280 nan 0.000 0.511 266 W N -0.364 120.875 121.300 -0.103 0.000 2.453 266 W HA 0.015 4.674 4.660 -0.000 0.000 0.289 266 W C 2.682 178.902 176.519 -0.499 0.000 1.215 266 W CA 1.156 58.122 57.345 -0.632 0.000 1.297 266 W CB -0.662 28.365 29.460 -0.721 0.000 1.113 266 W HN 0.130 nan 8.180 nan 0.000 0.551 267 A N 0.698 123.650 122.820 0.220 0.000 1.859 267 A HA -0.325 3.995 4.320 -0.000 0.000 0.217 267 A C 1.914 179.405 177.584 -0.154 0.000 1.198 267 A CA 2.129 54.344 52.037 0.297 0.000 0.629 267 A CB -1.438 17.749 19.000 0.313 0.000 0.830 267 A HN 0.464 nan 8.150 nan 0.000 0.446 268 N N -0.518 118.069 118.700 -0.189 0.000 2.037 268 N HA -0.251 4.488 4.740 -0.000 0.000 0.196 268 N C 1.974 177.294 175.510 -0.316 0.000 1.034 268 N CA 2.000 54.881 53.050 -0.282 0.000 0.861 268 N CB -0.223 38.157 38.487 -0.178 0.000 1.039 268 N HN 0.567 nan 8.380 nan 0.000 0.427 269 K N -0.312 119.829 120.400 -0.432 0.000 2.097 269 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 269 K C 1.964 178.523 176.600 -0.068 0.000 1.050 269 K CA 1.003 57.056 56.287 -0.389 0.000 0.938 269 K CB -0.117 31.976 32.500 -0.678 0.000 0.718 269 K HN 0.321 nan 8.250 nan 0.000 0.442 270 W N 0.599 121.934 121.300 0.058 0.000 2.407 270 W HA 0.015 4.675 4.660 -0.000 0.000 0.305 270 W C 2.378 178.959 176.519 0.103 0.000 1.196 270 W CA 0.778 58.232 57.345 0.182 0.000 1.311 270 W CB -1.154 28.561 29.460 0.426 0.000 1.135 270 W HN 0.181 nan 8.180 nan 0.000 0.514 271 A N 0.962 123.752 122.820 -0.050 0.000 1.859 271 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 271 A C 2.061 179.568 177.584 -0.129 0.000 1.198 271 A CA 2.508 54.320 52.037 -0.376 0.000 0.629 271 A CB -1.027 17.339 19.000 -1.056 0.000 0.830 271 A HN 0.274 nan 8.150 nan 0.000 0.446 272 K N -0.723 119.588 120.400 -0.149 0.000 2.113 272 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 272 K C 1.971 178.567 176.600 -0.006 0.000 1.047 272 K CA 1.826 58.059 56.287 -0.089 0.000 0.928 272 K CB -0.188 32.242 32.500 -0.116 0.000 0.716 272 K HN 0.651 nan 8.250 nan 0.000 0.446 273 E N 0.450 120.687 120.200 0.063 0.000 2.274 273 E HA -0.154 4.195 4.350 -0.000 0.000 0.194 273 E C 1.803 178.460 176.600 0.095 0.000 0.996 273 E CA 0.779 57.240 56.400 0.101 0.000 0.840 273 E CB 0.236 30.048 29.700 0.186 0.000 0.772 273 E HN 0.291 nan 8.360 nan 0.000 0.491 274 Q N -1.377 118.494 119.800 0.118 0.000 2.354 274 Q HA 0.076 4.416 4.340 -0.000 0.000 0.203 274 Q C 0.810 176.851 176.000 0.069 0.000 0.933 274 Q CA 0.579 56.452 55.803 0.116 0.000 0.901 274 Q CB 0.930 29.797 28.738 0.215 0.000 1.007 274 Q HN 0.341 nan 8.270 nan 0.000 0.495 275 G N 1.339 110.162 108.800 0.037 0.000 2.141 275 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.195 275 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.195 275 G C 0.089 174.989 174.900 0.000 0.000 1.012 275 G CA 0.031 45.137 45.100 0.010 0.000 0.696 275 G HN 0.238 nan 8.290 nan 0.000 0.508 276 K N -0.087 120.301 120.400 -0.019 0.000 2.792 276 K HA 0.354 4.674 4.320 -0.000 0.000 0.207 276 K C 2.008 178.499 176.600 -0.181 0.000 1.103 276 K CA -0.003 56.254 56.287 -0.051 0.000 1.048 276 K CB 0.822 33.351 32.500 0.048 0.000 0.777 276 K HN 0.288 nan 8.250 nan 0.000 0.468 277 G N 1.480 110.179 108.800 -0.169 0.000 2.485 277 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 277 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 277 G C 1.478 176.247 174.900 -0.219 0.000 1.115 277 G CA 1.401 46.370 45.100 -0.218 0.000 0.751 277 G HN 0.356 nan 8.290 nan 0.000 0.567 278 S N 1.191 116.797 115.700 -0.157 0.000 2.399 278 S HA 0.082 4.552 4.470 -0.000 0.000 0.231 278 S C 2.549 177.073 174.600 -0.127 0.000 1.022 278 S CA 1.142 59.267 58.200 -0.126 0.000 0.983 278 S CB -0.321 62.831 63.200 -0.079 0.000 0.803 278 S HN 0.581 nan 8.310 nan 0.000 0.480 279 A N 1.315 124.049 122.820 -0.144 0.000 2.066 279 A HA 0.181 4.501 4.320 -0.000 0.000 0.218 279 A C 2.094 179.616 177.584 -0.103 0.000 1.157 279 A CA 1.191 53.178 52.037 -0.083 0.000 0.670 279 A CB -0.515 18.484 19.000 -0.002 0.000 0.804 279 A HN 0.861 nan 8.150 nan 0.000 0.453 280 V N -4.823 114.959 119.914 -0.221 0.000 3.477 280 V HA 0.553 4.673 4.120 -0.000 0.000 0.297 280 V C 1.839 177.796 176.094 -0.227 0.000 1.433 280 V CA 0.544 62.721 62.300 -0.204 0.000 1.052 280 V CB -0.596 31.054 31.823 -0.288 0.000 0.895 280 V HN 0.361 nan 8.190 nan 0.000 0.438 281 A N 2.388 125.076 122.820 -0.219 0.000 1.948 281 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 281 A C 2.450 179.886 177.584 -0.246 0.000 1.177 281 A CA 2.827 54.723 52.037 -0.235 0.000 0.636 281 A CB -0.857 18.032 19.000 -0.187 0.000 0.815 281 A HN 1.041 nan 8.150 nan 0.000 0.449 282 S N -0.999 114.580 115.700 -0.201 0.000 2.470 282 S HA 0.023 4.493 4.470 -0.000 0.000 0.225 282 S C 1.628 176.053 174.600 -0.292 0.000 1.006 282 S CA 0.906 58.985 58.200 -0.203 0.000 0.934 282 S CB -0.427 62.696 63.200 -0.129 0.000 0.778 282 S HN 0.242 nan 8.310 nan 0.000 0.517 283 V N 1.963 121.679 119.914 -0.330 0.000 2.323 283 V HA -0.120 4.000 4.120 -0.000 0.000 0.244 283 V C 2.607 178.325 176.094 -0.627 0.000 1.041 283 V CA 1.444 63.410 62.300 -0.556 0.000 1.025 283 V CB -0.967 30.629 31.823 -0.378 0.000 0.656 283 V HN 0.413 nan 8.190 nan 0.000 0.451 284 V N 0.181 119.810 119.914 -0.475 0.000 2.250 284 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 284 V C 2.738 178.485 176.094 -0.578 0.000 1.060 284 V CA 2.667 64.612 62.300 -0.592 0.000 1.030 284 V CB -1.021 30.404 31.823 -0.662 0.000 0.643 284 V HN 0.642 nan 8.190 nan 0.000 0.445 285 S N -0.771 114.662 115.700 -0.446 0.000 2.374 285 S HA -0.284 4.186 4.470 -0.000 0.000 0.227 285 S C 2.032 176.461 174.600 -0.286 0.000 1.037 285 S CA 2.142 60.145 58.200 -0.328 0.000 1.024 285 S CB -0.259 62.790 63.200 -0.251 0.000 0.861 285 S HN 0.673 nan 8.310 nan 0.000 0.456 286 K N 0.597 120.785 120.400 -0.354 0.000 2.103 286 K HA 0.128 4.448 4.320 -0.000 0.000 0.204 286 K C 2.490 179.020 176.600 -0.116 0.000 1.052 286 K CA 0.948 57.063 56.287 -0.286 0.000 0.945 286 K CB -0.364 31.942 32.500 -0.323 0.000 0.722 286 K HN 0.429 nan 8.250 nan 0.000 0.443 287 A N 1.849 124.492 122.820 -0.295 0.000 1.902 287 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 287 A C 2.418 180.076 177.584 0.122 0.000 1.181 287 A CA 1.869 53.912 52.037 0.010 0.000 0.623 287 A CB -0.752 18.238 19.000 -0.017 0.000 0.818 287 A HN 0.316 nan 8.150 nan 0.000 0.443 288 A N 0.072 122.905 122.820 0.021 0.000 1.892 288 A HA -0.256 4.063 4.320 -0.000 0.000 0.218 288 A C 2.154 179.773 177.584 0.059 0.000 1.188 288 A CA 2.332 54.399 52.037 0.050 0.000 0.631 288 A CB -0.552 18.401 19.000 -0.079 0.000 0.822 288 A HN 0.611 nan 8.150 nan 0.000 0.447 289 K N -0.992 119.399 120.400 -0.015 0.000 2.057 289 K HA -0.136 4.184 4.320 -0.000 0.000 0.207 289 K C 2.160 178.823 176.600 0.105 0.000 1.049 289 K CA 1.713 57.923 56.287 -0.128 0.000 0.931 289 K CB -0.270 31.962 32.500 -0.446 0.000 0.714 289 K HN 0.509 nan 8.250 nan 0.000 0.440 290 M N 0.326 120.092 119.600 0.278 0.000 2.080 290 M HA -0.118 4.362 4.480 -0.000 0.000 0.260 290 M C 1.991 178.483 176.300 0.321 0.000 1.068 290 M CA 2.140 57.700 55.300 0.433 0.000 1.109 290 M CB -0.498 32.399 32.600 0.496 0.000 1.342 290 M HN 0.367 nan 8.290 nan 0.000 0.405 291 G N -0.016 108.911 108.800 0.212 0.000 2.469 291 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.219 291 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.219 291 G C 1.187 176.314 174.900 0.379 0.000 1.150 291 G CA 1.408 46.585 45.100 0.129 0.000 0.763 291 G HN 0.481 nan 8.290 nan 0.000 0.561 292 D N 0.095 120.677 120.400 0.305 0.000 2.117 292 D HA -0.073 4.567 4.640 -0.000 0.000 0.197 292 D C 2.163 178.581 176.300 0.197 0.000 0.987 292 D CA 0.533 54.714 54.000 0.300 0.000 0.829 292 D CB -0.277 40.624 40.800 0.169 0.000 0.961 292 D HN 0.320 nan 8.370 nan 0.000 0.460 293 F N -0.069 119.974 119.950 0.154 0.000 2.365 293 F HA -0.068 4.459 4.527 -0.000 0.000 0.300 293 F C 2.092 177.974 175.800 0.137 0.000 1.090 293 F CA 0.008 58.063 58.000 0.091 0.000 1.408 293 F CB -0.005 38.994 39.000 -0.002 0.000 1.060 293 F HN 0.007 nan 8.300 nan 0.000 0.534 294 L N 0.248 121.712 121.223 0.401 0.000 2.353 294 L HA -0.135 4.204 4.340 -0.000 0.000 0.220 294 L C 2.096 179.135 176.870 0.281 0.000 1.133 294 L CA 1.372 56.446 54.840 0.390 0.000 0.798 294 L CB -0.868 41.520 42.059 0.549 0.000 0.922 294 L HN 0.030 nan 8.230 nan 0.000 0.445 295 R N -0.807 119.805 120.500 0.187 0.000 2.249 295 R HA -0.134 4.205 4.340 -0.000 0.000 0.230 295 R C 1.803 178.199 176.300 0.161 0.000 1.121 295 R CA 0.894 56.978 56.100 -0.026 0.000 0.997 295 R CB -0.392 29.893 30.300 -0.024 0.000 0.867 295 R HN 0.449 nan 8.270 nan 0.000 0.465 296 N N 0.877 119.696 118.700 0.197 0.000 2.289 296 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 296 N C 0.549 176.190 175.510 0.218 0.000 1.016 296 N CA 1.072 54.259 53.050 0.228 0.000 0.872 296 N CB -0.042 38.534 38.487 0.148 0.000 0.973 296 N HN 0.308 nan 8.380 nan 0.000 0.433 297 D N 0.244 120.730 120.400 0.145 0.000 2.363 297 D HA 0.034 4.674 4.640 -0.000 0.000 0.226 297 D C 1.103 177.401 176.300 -0.003 0.000 1.020 297 D CA 0.283 54.338 54.000 0.091 0.000 0.892 297 D CB 0.185 41.061 40.800 0.125 0.000 0.900 297 D HN 0.357 nan 8.370 nan 0.000 0.531 298 M N -0.360 119.131 119.600 -0.181 0.000 2.495 298 M HA 0.128 4.608 4.480 -0.000 0.000 0.237 298 M C -0.258 175.185 176.300 -1.427 0.000 1.131 298 M CA 0.259 55.160 55.300 -0.665 0.000 1.032 298 M CB 0.366 32.495 32.600 -0.785 0.000 1.513 298 M HN -0.192 nan 8.290 nan 0.000 0.488 299 F N 0.262 119.791 119.950 -0.702 0.000 2.492 299 F HA 0.282 4.809 4.527 -0.000 0.000 0.327 299 F C 0.701 176.172 175.800 -0.548 0.000 1.079 299 F CA -1.468 56.113 58.000 -0.697 0.000 0.967 299 F CB 0.700 39.375 39.000 -0.541 0.000 1.169 299 F HN -0.087 nan 8.300 nan 0.000 0.472 300 D N 2.404 122.671 120.400 -0.221 0.000 2.478 300 D HA -0.075 4.565 4.640 -0.000 0.000 0.234 300 D C 1.157 177.287 176.300 -0.284 0.000 1.154 300 D CA 0.245 54.201 54.000 -0.073 0.000 0.874 300 D CB 0.910 41.756 40.800 0.077 0.000 1.198 300 D HN 0.707 nan 8.370 nan 0.000 0.455 301 K N 2.555 122.818 120.400 -0.228 0.000 2.052 301 K HA -0.260 4.060 4.320 -0.000 0.000 0.215 301 K C 0.610 176.874 176.600 -0.561 0.000 1.053 301 K CA 1.730 57.770 56.287 -0.411 0.000 0.934 301 K CB -0.143 32.111 32.500 -0.410 0.000 0.717 301 K HN 0.542 nan 8.250 nan 0.000 0.450 302 Y N -0.860 119.483 120.300 0.072 0.000 2.734 302 Y HA 0.260 4.810 4.550 -0.000 0.000 0.278 302 Y C -0.811 175.228 175.900 0.233 0.000 1.108 302 Y CA -0.706 57.503 58.100 0.182 0.000 1.211 302 Y CB -0.036 38.579 38.460 0.257 0.000 1.182 302 Y HN 0.023 nan 8.280 nan 0.000 0.547 303 F N -1.640 118.413 119.950 0.171 0.000 3.074 303 F HA -0.309 4.218 4.527 -0.000 0.000 0.287 303 F C 0.249 176.089 175.800 0.066 0.000 0.932 303 F CA 0.062 58.124 58.000 0.102 0.000 0.995 303 F CB -1.715 37.301 39.000 0.028 0.000 0.966 303 F HN 0.038 nan 8.300 nan 0.000 0.721 304 M N 0.112 119.793 119.600 0.136 0.000 2.247 304 M HA 0.218 4.698 4.480 -0.000 0.000 0.326 304 M C 0.881 177.228 176.300 0.078 0.000 1.134 304 M CA -0.406 54.903 55.300 0.014 0.000 1.136 304 M CB 0.669 33.115 32.600 -0.258 0.000 1.454 304 M HN 0.060 nan 8.290 nan 0.000 0.467 305 K N 1.483 121.912 120.400 0.047 0.000 2.484 305 K HA 0.109 4.428 4.320 -0.000 0.000 0.280 305 K C -0.305 176.359 176.600 0.106 0.000 1.013 305 K CA -0.162 56.167 56.287 0.070 0.000 1.029 305 K CB 0.198 32.724 32.500 0.043 0.000 0.902 305 K HN 0.401 nan 8.250 nan 0.000 0.481 306 I N 2.515 123.150 120.570 0.108 0.000 2.662 306 I HA -0.076 4.094 4.170 -0.000 0.000 0.285 306 I C 1.564 177.757 176.117 0.127 0.000 1.161 306 I CA 1.067 62.448 61.300 0.135 0.000 1.415 306 I CB -0.554 37.515 38.000 0.115 0.000 1.385 306 I HN 1.054 nan 8.210 nan 0.000 0.552 307 G N 4.933 113.829 108.800 0.160 0.000 2.194 307 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.236 307 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.236 307 G C 1.156 176.074 174.900 0.029 0.000 0.987 307 G CA 0.639 45.810 45.100 0.119 0.000 0.635 307 G HN 0.826 nan 8.290 nan 0.000 0.520 308 A N 0.068 122.921 122.820 0.054 0.000 1.927 308 A HA 0.030 4.350 4.320 -0.000 0.000 0.220 308 A C 1.723 179.277 177.584 -0.050 0.000 1.185 308 A CA 2.594 54.636 52.037 0.009 0.000 0.639 308 A CB -0.527 18.489 19.000 0.027 0.000 0.820 308 A HN 1.482 nan 8.150 nan 0.000 0.451 309 Q N -1.348 118.407 119.800 -0.074 0.000 2.461 309 Q HA -0.229 4.111 4.340 -0.000 0.000 0.273 309 Q C -0.688 175.289 176.000 -0.039 0.000 1.163 309 Q CA 1.008 56.691 55.803 -0.201 0.000 0.929 309 Q CB -1.373 27.076 28.738 -0.481 0.000 1.334 309 Q HN 0.798 nan 8.270 nan 0.000 0.499 310 D N -1.428 119.008 120.400 0.059 0.000 2.926 310 D HA 0.091 4.731 4.640 -0.000 0.000 0.282 310 D C -1.129 175.132 176.300 -0.065 0.000 1.201 310 D CA -0.687 53.326 54.000 0.022 0.000 0.735 310 D CB 0.832 41.610 40.800 -0.037 0.000 1.257 310 D HN -0.009 nan 8.370 nan 0.000 0.428 311 K N 1.085 121.381 120.400 -0.173 0.000 2.737 311 K HA 0.266 4.586 4.320 -0.000 0.000 0.251 311 K C -0.339 176.096 176.600 -0.275 0.000 1.280 311 K CA 0.041 56.092 56.287 -0.393 0.000 1.219 311 K CB -0.197 32.037 32.500 -0.442 0.000 1.587 311 K HN 0.140 nan 8.250 nan 0.000 0.279 312 T N 3.400 117.834 114.554 -0.201 0.000 2.728 312 T HA 0.188 4.538 4.350 -0.000 0.000 0.296 312 T C -2.376 172.261 174.700 -0.104 0.000 0.940 312 T CA -1.811 60.217 62.100 -0.120 0.000 1.013 312 T CB 0.850 69.678 68.868 -0.067 0.000 0.912 312 T HN 0.129 nan 8.240 nan 0.000 0.484 313 P HA 0.389 nan 4.420 nan 0.000 0.271 313 P C -0.868 176.432 177.300 0.000 0.000 1.216 313 P CA -0.429 62.649 63.100 -0.036 0.000 0.776 313 P CB 0.518 32.196 31.700 -0.037 0.000 0.881 314 A N 2.154 125.001 122.820 0.045 0.000 2.294 314 A HA 0.585 4.905 4.320 -0.000 0.000 0.330 314 A C 1.158 178.763 177.584 0.036 0.000 1.133 314 A CA 0.084 52.154 52.037 0.056 0.000 0.836 314 A CB 0.343 19.404 19.000 0.102 0.000 1.190 314 A HN 0.583 nan 8.150 nan 0.000 0.492 315 T N -1.524 113.046 114.554 0.027 0.000 3.071 315 T HA 0.355 4.705 4.350 -0.000 0.000 0.239 315 T C 1.270 175.967 174.700 -0.005 0.000 0.997 315 T CA 1.079 63.177 62.100 -0.003 0.000 1.134 315 T CB -0.472 68.393 68.868 -0.005 0.000 0.928 315 T HN 0.924 nan 8.240 nan 0.000 0.453 316 G N -0.048 108.780 108.800 0.045 0.000 3.380 316 G HA2 0.345 4.305 3.960 -0.000 0.000 0.188 316 G HA3 0.345 4.305 3.960 -0.000 0.000 0.188 316 G C 0.076 175.006 174.900 0.050 0.000 1.892 316 G CA -0.476 44.666 45.100 0.069 0.000 0.912 316 G HN 0.368 nan 8.290 nan 0.000 0.609 317 Y N 1.080 121.457 120.300 0.128 0.000 2.495 317 Y HA 0.164 4.714 4.550 -0.000 0.000 0.293 317 Y C 1.690 177.641 175.900 0.085 0.000 1.186 317 Y CA -0.109 58.087 58.100 0.160 0.000 1.266 317 Y CB 0.512 39.062 38.460 0.151 0.000 1.101 317 Y HN 0.188 nan 8.280 nan 0.000 0.517 318 D N -0.951 119.562 120.400 0.189 0.000 2.350 318 D HA -0.131 4.509 4.640 -0.000 0.000 0.216 318 D C 1.855 178.217 176.300 0.103 0.000 0.968 318 D CA 1.307 55.383 54.000 0.128 0.000 0.894 318 D CB -0.035 40.824 40.800 0.098 0.000 0.909 318 D HN 0.328 nan 8.370 nan 0.000 0.520 319 S N -1.059 114.725 115.700 0.141 0.000 2.556 319 S HA 0.378 4.848 4.470 -0.000 0.000 0.216 319 S C 0.884 175.449 174.600 -0.059 0.000 0.970 319 S CA -0.515 57.770 58.200 0.141 0.000 0.912 319 S CB 0.407 63.789 63.200 0.303 0.000 0.790 319 S HN 0.140 nan 8.310 nan 0.000 0.504 320 A N 2.227 124.858 122.820 -0.316 0.000 2.320 320 A HA 0.556 4.876 4.320 -0.000 0.000 0.287 320 A C 0.677 177.772 177.584 -0.814 0.000 1.181 320 A CA -0.527 50.859 52.037 -1.085 0.000 0.831 320 A CB -0.016 18.018 19.000 -1.611 0.000 1.102 320 A HN 0.704 nan 8.150 nan 0.000 0.513 321 H N 0.001 118.717 119.070 -0.591 0.000 2.563 321 H HA 0.199 4.755 4.556 -0.000 0.000 0.264 321 H C -0.223 174.934 175.328 -0.285 0.000 0.957 321 H CA 0.290 56.139 56.048 -0.333 0.000 1.173 321 H CB -0.517 29.113 29.762 -0.221 0.000 1.420 321 H HN 0.720 nan 8.280 nan 0.000 0.551 322 Y N -0.695 119.386 120.300 -0.366 0.000 4.604 322 Y HA -0.241 4.309 4.550 -0.000 0.000 0.230 322 Y C -0.321 175.486 175.900 -0.155 0.000 1.066 322 Y CA 0.326 58.236 58.100 -0.318 0.000 1.990 322 Y CB -2.328 35.944 38.460 -0.313 0.000 1.619 322 Y HN 0.251 nan 8.280 nan 0.000 0.649 323 L N -0.281 121.031 121.223 0.149 0.000 2.332 323 L HA 0.516 4.856 4.340 -0.000 0.000 0.269 323 L C 0.670 177.580 176.870 0.066 0.000 1.016 323 L CA -1.368 53.465 54.840 -0.010 0.000 0.809 323 L CB 0.492 42.343 42.059 -0.348 0.000 1.280 323 L HN -0.143 nan 8.230 nan 0.000 0.447 324 M N 1.982 121.623 119.600 0.069 0.000 2.341 324 M HA 0.224 4.704 4.480 -0.000 0.000 0.336 324 M C 0.345 176.708 176.300 0.104 0.000 1.489 324 M CA -0.226 55.152 55.300 0.130 0.000 1.278 324 M CB -0.035 32.674 32.600 0.181 0.000 1.657 324 M HN 0.692 nan 8.290 nan 0.000 0.455 325 A N 4.113 126.990 122.820 0.095 0.000 2.292 325 A HA 0.069 4.389 4.320 -0.000 0.000 0.265 325 A C 1.205 178.853 177.584 0.106 0.000 1.133 325 A CA -0.353 51.685 52.037 0.001 0.000 0.807 325 A CB 0.095 19.064 19.000 -0.052 0.000 1.102 325 A HN 0.990 nan 8.150 nan 0.000 0.502 326 W N -0.804 120.362 121.300 -0.223 0.000 2.364 326 W HA -0.049 4.611 4.660 -0.000 0.000 0.281 326 W C -0.300 176.336 176.519 0.195 0.000 1.219 326 W CA 2.401 59.685 57.345 -0.100 0.000 1.220 326 W CB -0.084 29.276 29.460 -0.166 0.000 1.127 326 W HN 0.702 nan 8.180 nan 0.000 0.556 327 Y N -3.132 117.288 120.300 0.200 0.000 2.810 327 Y HA 0.334 4.884 4.550 -0.000 0.000 0.355 327 Y C -0.916 175.084 175.900 0.167 0.000 1.211 327 Y CA -1.432 56.753 58.100 0.142 0.000 1.112 327 Y CB -0.075 38.458 38.460 0.122 0.000 1.383 327 Y HN -0.253 nan 8.280 nan 0.000 0.458 328 T N 0.333 115.152 114.554 0.441 0.000 2.885 328 T HA 0.949 5.299 4.350 -0.000 0.000 0.285 328 T C -0.516 174.579 174.700 0.660 0.000 1.019 328 T CA -0.286 62.099 62.100 0.476 0.000 1.010 328 T CB 1.800 70.859 68.868 0.319 0.000 1.022 328 T HN 1.299 nan 8.240 nan 0.000 0.466 329 A N 1.847 125.061 122.820 0.656 0.000 2.386 329 A HA 0.871 5.191 4.320 -0.000 0.000 0.311 329 A C -1.467 176.414 177.584 0.495 0.000 1.068 329 A CA -1.201 51.192 52.037 0.594 0.000 0.743 329 A CB 1.139 20.456 19.000 0.528 0.000 1.258 329 A HN 1.088 nan 8.150 nan 0.000 0.429 330 W N 1.031 122.152 121.300 -0.298 0.000 3.217 330 W HA 0.780 5.440 4.660 -0.000 0.000 0.323 330 W C -0.244 175.468 176.519 -1.346 0.000 1.216 330 W CA -0.355 56.405 57.345 -0.975 0.000 1.194 330 W CB 1.015 30.239 29.460 -0.394 0.000 1.397 330 W HN 1.230 nan 8.180 nan 0.000 0.537 331 G N 0.221 107.679 108.800 -2.237 0.000 2.645 331 G HA2 0.752 4.712 3.960 -0.000 0.000 0.292 331 G HA3 0.752 4.712 3.960 -0.000 0.000 0.292 331 G C -1.238 172.440 174.900 -2.036 0.000 1.415 331 G CA -0.293 43.507 45.100 -2.167 0.000 0.785 331 G HN 1.406 nan 8.290 nan 0.000 0.483 332 G N -1.838 105.516 108.800 -2.411 0.000 2.646 332 G HA2 0.679 4.639 3.960 -0.000 0.000 0.291 332 G HA3 0.679 4.639 3.960 -0.000 0.000 0.291 332 G C -0.052 173.908 174.900 -1.567 0.000 1.445 332 G CA 0.297 44.517 45.100 -1.466 0.000 0.814 332 G HN 1.324 nan 8.290 nan 0.000 0.495 333 G N -0.909 106.573 108.800 -2.196 0.000 2.491 333 G HA2 0.413 4.372 3.960 -0.000 0.000 0.238 333 G HA3 0.413 4.372 3.960 -0.000 0.000 0.238 333 G C 0.790 175.439 174.900 -0.418 0.000 1.277 333 G CA -0.372 43.829 45.100 -1.498 0.000 0.851 333 G HN 0.526 nan 8.290 nan 0.000 0.573 334 I N 1.605 122.096 120.570 -0.131 0.000 2.556 334 I HA 0.050 4.220 4.170 -0.000 0.000 0.251 334 I C 2.557 178.670 176.117 -0.006 0.000 1.105 334 I CA 0.901 62.206 61.300 0.009 0.000 1.436 334 I CB 0.124 38.143 38.000 0.032 0.000 1.139 334 I HN 0.605 nan 8.210 nan 0.000 0.438 335 G N 0.697 109.503 108.800 0.011 0.000 3.181 335 G HA2 0.514 4.474 3.960 -0.000 0.000 0.219 335 G HA3 0.514 4.474 3.960 -0.000 0.000 0.219 335 G C 0.222 175.164 174.900 0.071 0.000 1.182 335 G CA 0.569 45.694 45.100 0.041 0.000 0.791 335 G HN 0.402 nan 8.290 nan 0.000 0.537 336 A N -1.080 121.768 122.820 0.047 0.000 2.586 336 A HA 0.716 5.036 4.320 -0.000 0.000 0.290 336 A C -0.780 176.799 177.584 -0.009 0.000 1.086 336 A CA -0.475 51.626 52.037 0.106 0.000 0.665 336 A CB 0.729 19.921 19.000 0.319 0.000 1.279 336 A HN 0.110 nan 8.150 nan 0.000 0.423 337 S N 2.238 118.003 115.700 0.108 0.000 2.434 337 S HA 0.672 5.142 4.470 -0.000 0.000 0.318 337 S C -0.901 173.841 174.600 0.238 0.000 1.062 337 S CA -0.356 57.895 58.200 0.085 0.000 1.116 337 S CB -0.366 62.901 63.200 0.112 0.000 0.977 337 S HN 0.721 nan 8.310 nan 0.000 0.480 338 W N 1.189 122.574 121.300 0.143 0.000 3.146 338 W HA 0.792 5.451 4.660 -0.000 0.000 0.319 338 W C -1.363 175.252 176.519 0.160 0.000 1.258 338 W CA -1.263 56.170 57.345 0.147 0.000 1.189 338 W CB 0.905 30.448 29.460 0.137 0.000 1.412 338 W HN 0.556 nan 8.180 nan 0.000 0.567 339 A N 1.832 124.964 122.820 0.522 0.000 2.609 339 A HA 0.924 5.244 4.320 -0.000 0.000 0.291 339 A C -1.687 176.236 177.584 0.565 0.000 1.096 339 A CA -0.769 51.475 52.037 0.345 0.000 0.684 339 A CB 1.806 20.957 19.000 0.251 0.000 1.282 339 A HN 1.128 nan 8.150 nan 0.000 0.412 340 W N 0.294 121.812 121.300 0.363 0.000 3.074 340 W HA 0.818 5.478 4.660 -0.000 0.000 0.332 340 W C -1.687 175.024 176.519 0.320 0.000 1.253 340 W CA -0.690 56.903 57.345 0.414 0.000 1.180 340 W CB 1.332 30.985 29.460 0.322 0.000 1.445 340 W HN 0.887 nan 8.180 nan 0.000 0.573 341 K N 2.248 123.092 120.400 0.741 0.000 2.543 341 K HA 0.547 4.867 4.320 -0.000 0.000 0.255 341 K C -1.321 175.682 176.600 0.672 0.000 0.934 341 K CA -0.565 56.012 56.287 0.483 0.000 0.810 341 K CB 2.732 35.238 32.500 0.011 0.000 1.315 341 K HN 0.614 nan 8.250 nan 0.000 0.433 342 I N -0.079 120.828 120.570 0.561 0.000 2.730 342 I HA 0.655 4.825 4.170 -0.000 0.000 0.298 342 I C 0.224 176.424 176.117 0.138 0.000 1.089 342 I CA -0.861 60.601 61.300 0.271 0.000 1.041 342 I CB 2.093 40.163 38.000 0.116 0.000 1.235 342 I HN 0.641 nan 8.210 nan 0.000 0.423 343 G N 2.309 111.013 108.800 -0.161 0.000 2.783 343 G HA2 0.488 4.448 3.960 -0.000 0.000 0.182 343 G HA3 0.488 4.448 3.960 -0.000 0.000 0.182 343 G C -1.003 173.750 174.900 -0.246 0.000 1.516 343 G CA -0.400 44.607 45.100 -0.154 0.000 1.079 343 G HN 0.857 nan 8.290 nan 0.000 0.573 344 C N -1.819 117.297 119.300 -0.307 0.000 2.985 344 C HA 0.627 5.087 4.460 -0.000 0.000 0.332 344 C C 1.293 176.087 174.990 -0.327 0.000 1.164 344 C CA -0.206 58.518 59.018 -0.489 0.000 1.347 344 C CB 1.050 28.215 27.740 -0.959 0.000 1.764 344 C HN 0.552 nan 8.230 nan 0.000 0.489 345 S N 1.901 117.297 115.700 -0.506 0.000 2.528 345 S HA 0.141 4.610 4.470 -0.000 0.000 0.219 345 S C 0.218 174.560 174.600 -0.431 0.000 0.985 345 S CA 0.393 58.343 58.200 -0.416 0.000 0.914 345 S CB -0.308 62.615 63.200 -0.461 0.000 0.776 345 S HN 0.803 nan 8.310 nan 0.000 0.526 346 H N 0.960 119.866 119.070 -0.275 0.000 2.466 346 H HA 0.741 5.297 4.556 -0.000 0.000 0.338 346 H C -0.258 174.910 175.328 -0.266 0.000 1.091 346 H CA -0.997 54.877 56.048 -0.289 0.000 1.207 346 H CB 1.240 30.789 29.762 -0.355 0.000 1.466 346 H HN 0.152 nan 8.280 nan 0.000 0.493 347 A N 2.785 125.538 122.820 -0.111 0.000 2.435 347 A HA 0.448 4.768 4.320 -0.000 0.000 0.304 347 A C -1.268 176.358 177.584 0.069 0.000 1.064 347 A CA -0.609 51.376 52.037 -0.087 0.000 0.727 347 A CB 1.950 20.759 19.000 -0.318 0.000 1.284 347 A HN 0.774 nan 8.150 nan 0.000 0.415 348 H N 2.444 121.502 119.070 -0.019 0.000 2.589 348 H HA 0.355 4.911 4.556 -0.000 0.000 0.351 348 H C 0.481 175.787 175.328 -0.036 0.000 1.074 348 H CA -0.813 55.182 56.048 -0.089 0.000 1.203 348 H CB 1.235 30.834 29.762 -0.272 0.000 1.558 348 H HN 0.709 nan 8.280 nan 0.000 0.522 349 F N 3.567 123.501 119.950 -0.026 0.000 2.192 349 F HA -0.021 4.506 4.527 -0.000 0.000 0.301 349 F C 1.770 177.594 175.800 0.040 0.000 1.079 349 F CA 1.558 59.464 58.000 -0.157 0.000 1.303 349 F CB -0.747 37.921 39.000 -0.553 0.000 1.024 349 F HN 0.524 nan 8.300 nan 0.000 0.494 350 G N -1.159 107.017 108.800 -1.040 0.000 2.498 350 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.219 350 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.219 350 G C 1.027 175.858 174.900 -0.114 0.000 1.119 350 G CA 0.695 45.217 45.100 -0.963 0.000 0.766 350 G HN 0.499 nan 8.290 nan 0.000 0.552 351 Y N 0.297 120.431 120.300 -0.276 0.000 2.462 351 Y HA 0.250 4.800 4.550 -0.000 0.000 0.261 351 Y C 1.146 177.038 175.900 -0.014 0.000 1.146 351 Y CA -0.777 57.250 58.100 -0.123 0.000 1.283 351 Y CB 0.131 38.514 38.460 -0.128 0.000 1.090 351 Y HN 0.119 nan 8.280 nan 0.000 0.526 352 Q N 0.889 120.789 119.800 0.166 0.000 2.373 352 Q HA 0.088 4.428 4.340 -0.000 0.000 0.255 352 Q C -0.153 175.989 176.000 0.236 0.000 0.980 352 Q CA 0.193 56.118 55.803 0.204 0.000 0.882 352 Q CB 0.719 29.578 28.738 0.201 0.000 1.249 352 Q HN 0.113 nan 8.270 nan 0.000 0.438 353 N N 2.602 121.434 118.700 0.221 0.000 2.727 353 N HA 0.185 4.925 4.740 -0.000 0.000 0.252 353 N C -2.272 173.349 175.510 0.185 0.000 1.283 353 N CA -1.635 51.520 53.050 0.175 0.000 0.782 353 N CB 1.183 39.711 38.487 0.069 0.000 1.199 353 N HN 0.152 nan 8.380 nan 0.000 0.520 354 P HA -0.052 nan 4.420 nan 0.000 0.229 354 P C 1.318 178.668 177.300 0.084 0.000 1.160 354 P CA 0.311 63.505 63.100 0.157 0.000 0.777 354 P CB 0.206 31.933 31.700 0.044 0.000 0.814 355 F N 1.832 121.770 119.950 -0.020 0.000 2.084 355 F HA -0.129 4.398 4.527 -0.000 0.000 0.296 355 F C 2.593 178.317 175.800 -0.127 0.000 1.111 355 F CA 1.536 59.517 58.000 -0.031 0.000 1.224 355 F CB -0.744 38.222 39.000 -0.057 0.000 0.991 355 F HN -0.181 nan 8.300 nan 0.000 0.471 356 Q N 0.842 120.570 119.800 -0.120 0.000 2.096 356 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 356 Q C 2.314 177.983 176.000 -0.552 0.000 0.982 356 Q CA 1.908 57.486 55.803 -0.374 0.000 0.850 356 Q CB -1.089 27.501 28.738 -0.248 0.000 0.901 356 Q HN 0.546 nan 8.270 nan 0.000 0.422 357 G N 0.019 108.616 108.800 -0.338 0.000 2.446 357 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 357 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 357 G C 1.138 175.905 174.900 -0.222 0.000 1.168 357 G CA 0.791 45.756 45.100 -0.225 0.000 0.771 357 G HN 0.619 nan 8.290 nan 0.000 0.551 358 W N 0.962 121.879 121.300 -0.638 0.000 2.402 358 W HA -0.018 4.642 4.660 -0.000 0.000 0.286 358 W C 2.277 178.338 176.519 -0.763 0.000 1.221 358 W CA 1.353 58.083 57.345 -1.026 0.000 1.257 358 W CB -0.165 28.693 29.460 -1.003 0.000 1.120 358 W HN 0.033 nan 8.180 nan 0.000 0.551 359 V N 0.471 119.850 119.914 -0.892 0.000 2.261 359 V HA -0.328 3.792 4.120 -0.000 0.000 0.246 359 V C 2.412 178.043 176.094 -0.772 0.000 1.047 359 V CA 2.410 64.060 62.300 -1.083 0.000 1.015 359 V CB -1.258 29.870 31.823 -1.158 0.000 0.642 359 V HN 0.165 nan 8.190 nan 0.000 0.446 360 S N 0.072 115.361 115.700 -0.684 0.000 2.399 360 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 360 S C 2.095 176.528 174.600 -0.278 0.000 1.022 360 S CA 1.349 59.240 58.200 -0.514 0.000 0.983 360 S CB -0.383 62.216 63.200 -1.003 0.000 0.803 360 S HN 0.652 nan 8.310 nan 0.000 0.480 361 A N 1.072 123.734 122.820 -0.264 0.000 1.930 361 A HA -0.006 4.314 4.320 -0.000 0.000 0.215 361 A C 2.241 179.709 177.584 -0.193 0.000 1.176 361 A CA 1.734 53.734 52.037 -0.061 0.000 0.632 361 A CB -0.500 18.604 19.000 0.173 0.000 0.819 361 A HN 0.594 nan 8.150 nan 0.000 0.445 362 T N -4.786 109.481 114.554 -0.478 0.000 2.986 362 T HA 0.194 4.543 4.350 -0.000 0.000 0.264 362 T C 0.209 174.640 174.700 -0.449 0.000 0.964 362 T CA -0.299 61.519 62.100 -0.470 0.000 0.895 362 T CB 0.151 68.622 68.868 -0.662 0.000 1.163 362 T HN 0.154 nan 8.240 nan 0.000 0.517 363 Q N 2.366 121.881 119.800 -0.476 0.000 2.340 363 Q HA 0.429 4.769 4.340 -0.000 0.000 0.259 363 Q C 1.083 177.012 176.000 -0.119 0.000 0.964 363 Q CA -0.034 55.592 55.803 -0.295 0.000 0.900 363 Q CB 1.814 30.385 28.738 -0.279 0.000 1.228 363 Q HN 0.517 nan 8.270 nan 0.000 0.449 364 S N 1.780 117.414 115.700 -0.110 0.000 2.382 364 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 364 S C 0.904 175.434 174.600 -0.116 0.000 1.027 364 S CA 1.242 59.383 58.200 -0.099 0.000 0.991 364 S CB 0.063 63.206 63.200 -0.094 0.000 0.823 364 S HN 0.482 nan 8.310 nan 0.000 0.469 365 D N 1.120 121.438 120.400 -0.137 0.000 2.221 365 D HA -0.027 4.613 4.640 -0.000 0.000 0.204 365 D C 0.709 176.723 176.300 -0.478 0.000 0.982 365 D CA 0.936 54.751 54.000 -0.310 0.000 0.857 365 D CB -0.329 40.239 40.800 -0.386 0.000 0.934 365 D HN 0.537 nan 8.370 nan 0.000 0.475 366 F N 0.395 120.226 119.950 -0.198 0.000 2.639 366 F HA 0.352 4.879 4.527 -0.000 0.000 0.300 366 F C 0.888 176.587 175.800 -0.168 0.000 1.109 366 F CA -0.585 57.296 58.000 -0.198 0.000 1.335 366 F CB -0.022 38.828 39.000 -0.250 0.000 1.014 366 F HN -0.246 nan 8.300 nan 0.000 0.537 367 A N 1.616 124.413 122.820 -0.038 0.000 2.522 367 A HA 0.282 4.602 4.320 -0.000 0.000 0.256 367 A C -2.104 175.483 177.584 0.004 0.000 1.086 367 A CA -1.107 50.913 52.037 -0.029 0.000 0.763 367 A CB -0.590 18.378 19.000 -0.053 0.000 1.024 367 A HN 0.009 nan 8.150 nan 0.000 0.502 368 P HA 0.054 nan 4.420 nan 0.000 0.264 368 P C 0.510 177.841 177.300 0.053 0.000 1.183 368 P CA 0.125 63.288 63.100 0.105 0.000 0.763 368 P CB 0.555 32.347 31.700 0.154 0.000 0.807 369 K N 1.748 122.192 120.400 0.073 0.000 2.365 369 K HA 0.004 4.324 4.320 -0.000 0.000 0.197 369 K C 0.814 177.312 176.600 -0.170 0.000 1.042 369 K CA 0.234 56.478 56.287 -0.071 0.000 0.987 369 K CB 0.038 32.466 32.500 -0.119 0.000 0.779 369 K HN 0.628 nan 8.250 nan 0.000 0.484 370 S N -0.663 114.966 115.700 -0.118 0.000 2.626 370 S HA -0.007 4.463 4.470 -0.000 0.000 0.257 370 S C 1.116 175.678 174.600 -0.063 0.000 1.288 370 S CA -0.027 58.095 58.200 -0.130 0.000 0.980 370 S CB 1.378 64.539 63.200 -0.066 0.000 0.975 370 S HN 0.237 nan 8.310 nan 0.000 0.577 371 S N 0.088 115.758 115.700 -0.051 0.000 2.503 371 S HA 0.147 4.617 4.470 -0.000 0.000 0.215 371 S C 0.767 175.367 174.600 -0.000 0.000 1.003 371 S CA -0.133 58.049 58.200 -0.030 0.000 0.910 371 S CB -0.493 62.686 63.200 -0.036 0.000 0.790 371 S HN 0.693 nan 8.310 nan 0.000 0.514 372 N N 0.949 119.663 118.700 0.024 0.000 2.184 372 N HA 0.269 5.009 4.740 -0.000 0.000 0.206 372 N C 1.569 177.114 175.510 0.059 0.000 1.151 372 N CA 0.673 53.748 53.050 0.041 0.000 0.878 372 N CB 0.033 38.572 38.487 0.086 0.000 1.014 372 N HN 0.497 nan 8.380 nan 0.000 0.512 373 G N 1.514 110.365 108.800 0.084 0.000 2.440 373 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.218 373 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.218 373 G C 1.526 176.553 174.900 0.211 0.000 1.154 373 G CA 0.856 46.050 45.100 0.158 0.000 0.767 373 G HN 0.293 nan 8.290 nan 0.000 0.552 374 K N 0.329 120.812 120.400 0.139 0.000 2.025 374 K HA -0.058 4.261 4.320 -0.000 0.000 0.207 374 K C 2.539 179.200 176.600 0.102 0.000 1.049 374 K CA 1.038 57.403 56.287 0.129 0.000 0.933 374 K CB -0.222 32.310 32.500 0.053 0.000 0.714 374 K HN 0.248 nan 8.250 nan 0.000 0.438 375 R N 0.678 121.197 120.500 0.031 0.000 2.070 375 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 375 R C 1.414 177.671 176.300 -0.073 0.000 1.137 375 R CA 2.207 58.288 56.100 -0.033 0.000 0.945 375 R CB -0.347 29.910 30.300 -0.072 0.000 0.845 375 R HN 0.219 nan 8.270 nan 0.000 0.430 376 D N -0.279 120.077 120.400 -0.073 0.000 2.116 376 D HA -0.206 4.433 4.640 -0.000 0.000 0.193 376 D C 1.665 177.877 176.300 -0.145 0.000 0.998 376 D CA 1.393 55.318 54.000 -0.124 0.000 0.836 376 D CB -0.542 40.208 40.800 -0.084 0.000 0.951 376 D HN 0.386 nan 8.370 nan 0.000 0.449 377 W N 0.929 122.252 121.300 0.039 0.000 2.402 377 W HA -0.111 4.549 4.660 -0.000 0.000 0.286 377 W C 2.520 179.100 176.519 0.102 0.000 1.221 377 W CA 1.064 58.452 57.345 0.071 0.000 1.257 377 W CB -0.322 29.173 29.460 0.057 0.000 1.120 377 W HN -0.082 nan 8.180 nan 0.000 0.551 378 T N -0.601 114.100 114.554 0.245 0.000 2.746 378 T HA -0.195 4.154 4.350 -0.000 0.000 0.267 378 T C 1.581 176.186 174.700 -0.158 0.000 1.039 378 T CA 2.022 64.200 62.100 0.131 0.000 1.142 378 T CB -0.665 68.238 68.868 0.058 0.000 0.866 378 T HN 0.074 nan 8.240 nan 0.000 0.444 379 T N 1.340 115.741 114.554 -0.255 0.000 2.737 379 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 379 T C 2.327 176.775 174.700 -0.420 0.000 1.038 379 T CA 1.425 63.234 62.100 -0.485 0.000 1.144 379 T CB -0.460 67.881 68.868 -0.878 0.000 0.866 379 T HN 0.369 nan 8.240 nan 0.000 0.434 380 S N 0.930 116.498 115.700 -0.221 0.000 2.356 380 S HA -0.153 4.317 4.470 -0.000 0.000 0.223 380 S C 2.080 176.733 174.600 0.087 0.000 1.032 380 S CA 1.674 59.849 58.200 -0.042 0.000 1.005 380 S CB -0.594 62.562 63.200 -0.073 0.000 0.867 380 S HN 0.746 nan 8.310 nan 0.000 0.449 381 Y N 0.960 121.363 120.300 0.172 0.000 2.293 381 Y HA 0.130 4.680 4.550 -0.000 0.000 0.291 381 Y C 1.964 177.882 175.900 0.030 0.000 1.137 381 Y CA 1.355 59.538 58.100 0.139 0.000 1.202 381 Y CB -0.389 38.170 38.460 0.165 0.000 0.990 381 Y HN 0.144 nan 8.280 nan 0.000 0.537 382 K N 0.122 120.146 120.400 -0.628 0.000 2.103 382 K HA -0.115 4.204 4.320 -0.000 0.000 0.204 382 K C 2.204 178.714 176.600 -0.150 0.000 1.052 382 K CA 1.158 57.184 56.287 -0.435 0.000 0.945 382 K CB -0.158 32.051 32.500 -0.486 0.000 0.722 382 K HN 0.149 nan 8.250 nan 0.000 0.443 383 R N 1.892 122.298 120.500 -0.157 0.000 2.092 383 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 383 R C 2.016 178.373 176.300 0.096 0.000 1.119 383 R CA 1.550 57.606 56.100 -0.073 0.000 0.970 383 R CB -0.194 29.995 30.300 -0.186 0.000 0.864 383 R HN 0.233 nan 8.270 nan 0.000 0.440 384 Q N -0.206 119.650 119.800 0.093 0.000 2.050 384 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 384 Q C 2.126 178.312 176.000 0.310 0.000 0.980 384 Q CA 1.740 57.661 55.803 0.198 0.000 0.840 384 Q CB -0.203 28.687 28.738 0.252 0.000 0.898 384 Q HN 0.340 nan 8.270 nan 0.000 0.424 385 L N 0.686 122.019 121.223 0.184 0.000 2.079 385 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 385 L C 2.138 179.091 176.870 0.139 0.000 1.081 385 L CA 1.309 56.224 54.840 0.125 0.000 0.752 385 L CB -0.448 41.590 42.059 -0.036 0.000 0.896 385 L HN 0.286 nan 8.230 nan 0.000 0.433 386 E N -0.711 119.571 120.200 0.137 0.000 2.208 386 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 386 E C 2.003 178.499 176.600 -0.174 0.000 0.988 386 E CA 0.800 57.217 56.400 0.029 0.000 0.828 386 E CB -0.049 29.791 29.700 0.233 0.000 0.763 386 E HN 0.329 nan 8.360 nan 0.000 0.478 387 F N 0.455 120.235 119.950 -0.283 0.000 2.146 387 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 387 F C 1.665 177.235 175.800 -0.383 0.000 1.096 387 F CA 1.252 58.850 58.000 -0.671 0.000 1.275 387 F CB -0.423 38.242 39.000 -0.558 0.000 1.008 387 F HN -0.003 nan 8.300 nan 0.000 0.480 388 Y N 0.519 120.690 120.300 -0.215 0.000 2.165 388 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 388 Y C 2.589 178.273 175.900 -0.361 0.000 1.155 388 Y CA 1.985 59.909 58.100 -0.294 0.000 1.164 388 Y CB -0.780 37.576 38.460 -0.173 0.000 0.978 388 Y HN 0.166 nan 8.280 nan 0.000 0.513 389 Q N -1.755 117.963 119.800 -0.137 0.000 2.079 389 Q HA -0.231 4.108 4.340 -0.000 0.000 0.200 389 Q C 1.972 177.895 176.000 -0.130 0.000 0.974 389 Q CA 1.501 57.176 55.803 -0.213 0.000 0.840 389 Q CB -0.585 28.116 28.738 -0.062 0.000 0.898 389 Q HN 0.638 nan 8.270 nan 0.000 0.430 390 W N 1.304 122.333 121.300 -0.451 0.000 2.363 390 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 390 W C 1.099 177.480 176.519 -0.231 0.000 1.212 390 W CA 1.143 58.354 57.345 -0.223 0.000 1.260 390 W CB -0.037 29.170 29.460 -0.423 0.000 1.131 390 W HN 0.020 nan 8.180 nan 0.000 0.530 391 L N 0.694 121.561 121.223 -0.593 0.000 2.591 391 L HA 0.107 4.447 4.340 -0.000 0.000 0.228 391 L C 1.149 177.679 176.870 -0.567 0.000 1.133 391 L CA 0.010 54.351 54.840 -0.832 0.000 0.880 391 L CB -0.661 40.826 42.059 -0.954 0.000 1.033 391 L HN -0.135 nan 8.230 nan 0.000 0.450 392 Q N 1.541 121.123 119.800 -0.363 0.000 2.286 392 Q HA 0.109 4.449 4.340 -0.000 0.000 0.267 392 Q C 0.494 176.437 176.000 -0.094 0.000 1.028 392 Q CA -0.288 55.367 55.803 -0.247 0.000 0.901 392 Q CB 0.889 29.423 28.738 -0.341 0.000 1.183 392 Q HN 0.375 nan 8.270 nan 0.000 0.392 393 S N 2.763 118.384 115.700 -0.131 0.000 2.606 393 S HA 0.236 4.706 4.470 -0.000 0.000 0.257 393 S C 1.111 175.640 174.600 -0.118 0.000 1.327 393 S CA -0.151 57.970 58.200 -0.131 0.000 0.984 393 S CB 1.083 64.213 63.200 -0.118 0.000 0.941 393 S HN 0.745 nan 8.310 nan 0.000 0.576 394 A N 0.382 123.079 122.820 -0.205 0.000 1.972 394 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 394 A C 1.950 179.484 177.584 -0.083 0.000 1.169 394 A CA 1.687 53.636 52.037 -0.147 0.000 0.635 394 A CB -0.997 17.860 19.000 -0.238 0.000 0.810 394 A HN 0.867 nan 8.150 nan 0.000 0.446 395 E N -1.935 118.174 120.200 -0.152 0.000 2.170 395 E HA 0.285 4.635 4.350 -0.000 0.000 0.191 395 E C 1.467 177.922 176.600 -0.241 0.000 0.981 395 E CA 1.077 57.387 56.400 -0.151 0.000 0.830 395 E CB -0.001 29.580 29.700 -0.199 0.000 0.775 395 E HN 0.691 nan 8.360 nan 0.000 0.470 396 G N -0.610 107.962 108.800 -0.381 0.000 2.624 396 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.190 396 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.190 396 G C 0.637 175.294 174.900 -0.405 0.000 1.008 396 G CA -0.359 44.584 45.100 -0.262 0.000 0.731 396 G HN 0.513 nan 8.290 nan 0.000 0.478 397 G N 0.494 108.616 108.800 -1.129 0.000 2.569 397 G HA2 0.504 4.464 3.960 -0.000 0.000 0.249 397 G HA3 0.504 4.464 3.960 -0.000 0.000 0.249 397 G C 0.086 174.874 174.900 -0.187 0.000 1.216 397 G CA -0.257 44.311 45.100 -0.886 0.000 0.845 397 G HN 0.375 nan 8.290 nan 0.000 0.568 398 I N 1.487 121.956 120.570 -0.168 0.000 2.315 398 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 398 I C 1.042 176.620 176.117 -0.899 0.000 1.006 398 I CA -1.042 59.860 61.300 -0.663 0.000 1.265 398 I CB 0.378 37.606 38.000 -1.286 0.000 1.387 398 I HN 0.536 nan 8.210 nan 0.000 0.475 399 A N 4.965 127.191 122.820 -0.991 0.000 2.310 399 A HA 0.538 4.857 4.320 -0.000 0.000 0.260 399 A C 1.484 178.451 177.584 -1.028 0.000 1.112 399 A CA 0.354 51.533 52.037 -1.430 0.000 0.804 399 A CB -0.237 18.184 19.000 -0.965 0.000 1.081 399 A HN 0.885 nan 8.150 nan 0.000 0.499 400 G N -0.823 107.382 108.800 -0.991 0.000 2.587 400 G HA2 0.326 4.286 3.960 -0.000 0.000 0.217 400 G HA3 0.326 4.286 3.960 -0.000 0.000 0.217 400 G C 0.903 175.382 174.900 -0.702 0.000 1.240 400 G CA 1.628 46.212 45.100 -0.860 0.000 0.794 400 G HN 2.085 nan 8.290 nan 0.000 0.580 401 G N -2.069 106.398 108.800 -0.555 0.000 2.455 401 G HA2 0.614 4.574 3.960 -0.000 0.000 0.223 401 G HA3 0.614 4.574 3.960 -0.000 0.000 0.223 401 G C -1.375 173.527 174.900 0.003 0.000 1.226 401 G CA 0.295 45.265 45.100 -0.216 0.000 0.948 401 G HN 1.579 nan 8.290 nan 0.000 0.478 402 A N -1.736 121.192 122.820 0.181 0.000 2.610 402 A HA 0.951 5.271 4.320 -0.000 0.000 0.291 402 A C -0.701 176.928 177.584 0.075 0.000 1.086 402 A CA 0.534 52.706 52.037 0.224 0.000 0.677 402 A CB 1.491 20.804 19.000 0.521 0.000 1.278 402 A HN 1.965 nan 8.150 nan 0.000 0.414 403 T N -0.779 113.827 114.554 0.086 0.000 2.909 403 T HA 0.466 4.816 4.350 -0.000 0.000 0.299 403 T C 0.083 174.874 174.700 0.152 0.000 1.073 403 T CA -0.274 61.888 62.100 0.103 0.000 0.999 403 T CB 1.575 70.529 68.868 0.144 0.000 1.098 403 T HN 0.676 nan 8.240 nan 0.000 0.477 404 N N 1.645 120.422 118.700 0.128 0.000 2.280 404 N HA 0.197 4.937 4.740 -0.000 0.000 0.192 404 N C -0.235 175.406 175.510 0.219 0.000 1.109 404 N CA 0.052 53.246 53.050 0.239 0.000 0.855 404 N CB 0.502 39.124 38.487 0.226 0.000 0.974 404 N HN 0.345 nan 8.380 nan 0.000 0.482 405 S N 0.397 116.115 115.700 0.031 0.000 2.542 405 S HA 0.152 4.622 4.470 -0.000 0.000 0.245 405 S C -1.269 173.354 174.600 0.039 0.000 1.325 405 S CA -0.757 57.298 58.200 -0.242 0.000 1.176 405 S CB -0.282 62.450 63.200 -0.780 0.000 1.045 405 S HN 0.287 nan 8.310 nan 0.000 0.481 406 W N 4.931 126.272 121.300 0.068 0.000 2.397 406 W HA 0.024 4.684 4.660 -0.000 0.000 0.327 406 W C 0.164 176.682 176.519 -0.002 0.000 1.421 406 W CA 0.540 57.928 57.345 0.073 0.000 1.288 406 W CB 0.010 29.604 29.460 0.223 0.000 1.312 406 W HN 0.857 nan 8.180 nan 0.000 0.559 407 N N 2.838 121.171 118.700 -0.612 0.000 2.815 407 N HA -0.210 4.530 4.740 -0.000 0.000 0.247 407 N C 0.839 176.204 175.510 -0.241 0.000 1.030 407 N CA 2.095 54.890 53.050 -0.425 0.000 0.881 407 N CB -1.533 36.805 38.487 -0.249 0.000 1.134 407 N HN 0.898 nan 8.380 nan 0.000 0.582 408 G N -0.439 108.255 108.800 -0.176 0.000 2.143 408 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.248 408 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.248 408 G C 0.513 175.337 174.900 -0.127 0.000 0.991 408 G CA 0.640 45.662 45.100 -0.130 0.000 0.689 408 G HN 0.572 nan 8.290 nan 0.000 0.522 409 R N -1.371 119.083 120.500 -0.076 0.000 2.563 409 R HA 0.302 4.642 4.340 -0.000 0.000 0.443 409 R C 0.193 176.642 176.300 0.249 0.000 0.956 409 R CA -0.490 55.688 56.100 0.130 0.000 1.141 409 R CB 0.419 30.773 30.300 0.090 0.000 1.553 409 R HN 0.457 nan 8.270 nan 0.000 0.577 410 Y N 1.103 121.510 120.300 0.179 0.000 3.037 410 Y HA -0.299 4.250 4.550 -0.000 0.000 0.204 410 Y C -0.022 175.962 175.900 0.139 0.000 1.275 410 Y CA 0.470 58.666 58.100 0.159 0.000 1.066 410 Y CB -2.034 36.477 38.460 0.085 0.000 1.305 410 Y HN 0.238 nan 8.280 nan 0.000 0.499 411 E N 0.780 121.157 120.200 0.295 0.000 2.374 411 E HA 0.203 4.552 4.350 -0.000 0.000 0.260 411 E C 0.262 176.974 176.600 0.187 0.000 1.101 411 E CA -1.095 55.459 56.400 0.258 0.000 0.907 411 E CB 0.540 30.444 29.700 0.341 0.000 1.014 411 E HN 0.021 nan 8.360 nan 0.000 0.427 412 K N 1.834 122.267 120.400 0.054 0.000 2.489 412 K HA 0.009 4.329 4.320 -0.000 0.000 0.278 412 K C -0.428 176.109 176.600 -0.106 0.000 1.000 412 K CA 0.366 56.601 56.287 -0.087 0.000 1.012 412 K CB -0.056 32.403 32.500 -0.069 0.000 0.903 412 K HN 0.344 nan 8.250 nan 0.000 0.485 413 Y N 2.230 122.379 120.300 -0.252 0.000 2.610 413 Y HA 0.059 4.608 4.550 -0.000 0.000 0.332 413 Y C -1.496 174.107 175.900 -0.494 0.000 1.201 413 Y CA -2.590 55.163 58.100 -0.578 0.000 1.465 413 Y CB -1.028 37.202 38.460 -0.384 0.000 1.283 413 Y HN 0.443 nan 8.280 nan 0.000 0.563 414 P HA 0.049 nan 4.420 nan 0.000 0.267 414 P C -0.589 176.631 177.300 -0.133 0.000 1.201 414 P CA -0.091 62.861 63.100 -0.247 0.000 0.775 414 P CB 0.487 32.040 31.700 -0.244 0.000 0.854 415 A N 2.438 125.219 122.820 -0.064 0.000 2.565 415 A HA 0.371 4.691 4.320 -0.000 0.000 0.237 415 A C 1.481 179.052 177.584 -0.022 0.000 1.053 415 A CA 0.634 52.654 52.037 -0.030 0.000 0.755 415 A CB -1.353 17.640 19.000 -0.013 0.000 0.980 415 A HN 0.954 nan 8.150 nan 0.000 0.506 416 G N 2.239 111.037 108.800 -0.004 0.000 2.249 416 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.273 416 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.273 416 G C 0.332 175.240 174.900 0.013 0.000 1.036 416 G CA 0.587 45.693 45.100 0.010 0.000 0.824 416 G HN 1.201 nan 8.290 nan 0.000 0.504 417 T N 1.078 115.630 114.554 -0.004 0.000 2.761 417 T HA 0.503 4.853 4.350 -0.000 0.000 0.296 417 T C 0.891 175.633 174.700 0.070 0.000 0.934 417 T CA 0.547 62.636 62.100 -0.018 0.000 1.091 417 T CB 1.230 69.985 68.868 -0.188 0.000 0.896 417 T HN 1.045 nan 8.240 nan 0.000 0.515 418 S N 3.668 119.451 115.700 0.138 0.000 2.565 418 S HA 0.537 5.007 4.470 -0.000 0.000 0.276 418 S C 0.282 175.101 174.600 0.365 0.000 1.326 418 S CA -0.659 57.681 58.200 0.235 0.000 1.045 418 S CB 0.449 63.780 63.200 0.219 0.000 0.918 418 S HN 0.799 nan 8.310 nan 0.000 0.505 419 T N 0.717 115.458 114.554 0.312 0.000 2.916 419 T HA 0.702 5.052 4.350 -0.000 0.000 0.292 419 T C -1.105 173.541 174.700 -0.089 0.000 1.064 419 T CA -0.782 61.429 62.100 0.184 0.000 1.011 419 T CB 1.260 70.212 68.868 0.141 0.000 1.152 419 T HN 0.727 nan 8.240 nan 0.000 0.510 420 F N 2.044 121.718 119.950 -0.461 0.000 2.612 420 F HA 0.449 4.976 4.527 -0.000 0.000 0.332 420 F C -0.820 174.921 175.800 -0.099 0.000 1.167 420 F CA -1.237 56.365 58.000 -0.663 0.000 0.970 420 F CB 0.691 38.867 39.000 -1.373 0.000 1.234 420 F HN 0.792 nan 8.300 nan 0.000 0.453 421 Y N 4.434 124.411 120.300 -0.537 0.000 3.152 421 Y HA -0.181 4.369 4.550 -0.000 0.000 0.212 421 Y C 1.458 177.299 175.900 -0.097 0.000 1.198 421 Y CA 1.340 59.242 58.100 -0.330 0.000 1.220 421 Y CB -1.239 36.950 38.460 -0.452 0.000 1.326 421 Y HN 1.138 nan 8.280 nan 0.000 0.562 422 G N -1.585 107.251 108.800 0.060 0.000 2.176 422 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.253 422 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.253 422 G C 0.232 175.306 174.900 0.291 0.000 0.979 422 G CA 0.123 45.321 45.100 0.164 0.000 0.641 422 G HN 0.403 nan 8.290 nan 0.000 0.530 423 M N 1.149 120.883 119.600 0.223 0.000 2.264 423 M HA 0.627 5.107 4.480 -0.000 0.000 0.352 423 M C 0.641 177.002 176.300 0.103 0.000 1.173 423 M CA -0.132 55.297 55.300 0.215 0.000 1.075 423 M CB 1.758 34.477 32.600 0.199 0.000 1.621 423 M HN 0.391 nan 8.290 nan 0.000 0.457 424 A N 2.738 125.467 122.820 -0.152 0.000 2.363 424 A HA 0.248 4.568 4.320 -0.000 0.000 0.270 424 A C -0.923 176.780 177.584 0.198 0.000 1.121 424 A CA -0.346 51.524 52.037 -0.277 0.000 0.800 424 A CB 0.103 18.562 19.000 -0.903 0.000 1.052 424 A HN 0.750 nan 8.150 nan 0.000 0.493 425 Y N 2.991 123.439 120.300 0.247 0.000 2.620 425 Y HA 0.329 4.879 4.550 -0.000 0.000 0.330 425 Y C 0.200 176.158 175.900 0.096 0.000 1.186 425 Y CA 0.631 58.871 58.100 0.234 0.000 1.467 425 Y CB 0.623 39.123 38.460 0.066 0.000 1.262 425 Y HN 0.851 nan 8.280 nan 0.000 0.550 426 V N 7.251 126.712 119.914 -0.754 0.000 2.577 426 V HA 0.477 4.597 4.120 -0.000 0.000 0.303 426 V C -2.375 172.954 176.094 -1.275 0.000 1.042 426 V CA -2.206 59.570 62.300 -0.874 0.000 0.872 426 V CB 2.125 33.645 31.823 -0.504 0.000 0.998 426 V HN 0.674 nan 8.190 nan 0.000 0.423 427 P HA -0.064 nan 4.420 nan 0.000 0.218 427 P C 0.206 176.867 177.300 -1.065 0.000 1.149 427 P CA 1.372 63.865 63.100 -1.012 0.000 0.817 427 P CB -0.021 31.332 31.700 -0.577 0.000 0.785 428 H N -1.285 117.516 119.070 -0.449 0.000 2.607 428 H HA 0.335 4.891 4.556 -0.000 0.000 0.248 428 H C -2.483 172.600 175.328 -0.408 0.000 1.355 428 H CA -2.323 53.528 56.048 -0.329 0.000 1.524 428 H CB 0.591 30.256 29.762 -0.162 0.000 1.563 428 H HN 0.092 nan 8.280 nan 0.000 0.509 429 P HA -0.066 nan 4.420 nan 0.000 0.265 429 P C 1.117 178.010 177.300 -0.679 0.000 1.193 429 P CA 0.450 63.245 63.100 -0.509 0.000 0.765 429 P CB 1.308 32.766 31.700 -0.403 0.000 0.823 430 V N 1.086 120.468 119.914 -0.886 0.000 0.508 430 V HA -0.312 3.808 4.120 -0.000 0.000 0.092 430 V C 0.121 175.527 176.094 -1.147 0.000 2.282 430 V CA 1.572 63.157 62.300 -1.193 0.000 3.591 430 V CB -2.239 28.481 31.823 -1.839 0.000 0.878 430 V HN 0.455 nan 8.190 nan 0.000 0.919 431 Y N -1.001 119.009 120.300 -0.484 0.000 2.409 431 Y HA 0.825 5.375 4.550 -0.000 0.000 0.343 431 Y C 0.486 176.281 175.900 -0.176 0.000 0.973 431 Y CA -0.193 57.741 58.100 -0.276 0.000 1.064 431 Y CB 1.916 40.243 38.460 -0.221 0.000 1.207 431 Y HN 0.167 nan 8.280 nan 0.000 0.452 432 A N 0.809 123.660 122.820 0.052 0.000 2.288 432 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 432 A C -0.129 177.454 177.584 -0.002 0.000 1.199 432 A CA 0.516 52.539 52.037 -0.023 0.000 0.891 432 A CB 0.171 19.148 19.000 -0.039 0.000 0.923 432 A HN 0.583 nan 8.150 nan 0.000 0.500 433 D N 0.763 121.204 120.400 0.067 0.000 2.375 433 D HA 0.355 4.995 4.640 -0.000 0.000 0.259 433 D C -2.839 173.522 176.300 0.103 0.000 1.235 433 D CA -1.733 52.314 54.000 0.078 0.000 0.924 433 D CB 1.637 42.496 40.800 0.099 0.000 1.143 433 D HN 0.114 nan 8.370 nan 0.000 0.529 434 P HA 0.360 nan 4.420 nan 0.000 0.276 434 P C 0.557 177.872 177.300 0.025 0.000 1.261 434 P CA -0.432 62.704 63.100 0.060 0.000 0.800 434 P CB 0.668 32.428 31.700 0.100 0.000 1.066 435 G N 0.343 109.057 108.800 -0.143 0.000 2.224 435 G HA2 0.065 4.025 3.960 -0.000 0.000 0.239 435 G HA3 0.065 4.025 3.960 -0.000 0.000 0.239 435 G C 1.271 176.252 174.900 0.134 0.000 1.240 435 G CA 0.222 45.099 45.100 -0.372 0.000 0.896 435 G HN 0.548 nan 8.290 nan 0.000 0.496 436 S N 1.348 117.213 115.700 0.274 0.000 2.465 436 S HA -0.154 4.316 4.470 -0.000 0.000 0.241 436 S C 1.553 176.591 174.600 0.730 0.000 1.000 436 S CA 1.242 59.712 58.200 0.451 0.000 0.964 436 S CB -0.020 63.329 63.200 0.248 0.000 0.763 436 S HN 0.538 nan 8.310 nan 0.000 0.512 437 N N 0.856 120.020 118.700 0.774 0.000 2.234 437 N HA 0.188 4.928 4.740 -0.000 0.000 0.227 437 N C 1.186 177.195 175.510 0.831 0.000 1.151 437 N CA -0.081 53.377 53.050 0.681 0.000 0.865 437 N CB 0.025 38.525 38.487 0.022 0.000 1.066 437 N HN 0.669 nan 8.380 nan 0.000 0.515 438 Q N -1.017 119.232 119.800 0.747 0.000 2.187 438 Q HA -0.061 4.279 4.340 -0.000 0.000 0.199 438 Q C -0.130 176.236 176.000 0.610 0.000 0.957 438 Q CA 0.439 56.615 55.803 0.621 0.000 0.857 438 Q CB 0.052 29.031 28.738 0.400 0.000 0.929 438 Q HN 0.363 nan 8.270 nan 0.000 0.453 439 W N 0.701 122.248 121.300 0.412 0.000 2.368 439 W HA 0.036 4.696 4.660 -0.000 0.000 0.316 439 W C 0.343 177.081 176.519 0.364 0.000 1.375 439 W CA -0.781 56.734 57.345 0.283 0.000 1.261 439 W CB 0.223 29.732 29.460 0.081 0.000 1.298 439 W HN 0.171 nan 8.180 nan 0.000 0.539 440 F N 5.099 124.987 119.950 -0.103 0.000 2.451 440 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 440 F C 1.948 177.402 175.800 -0.577 0.000 1.101 440 F CA 1.992 59.901 58.000 -0.152 0.000 1.436 440 F CB -0.393 38.546 39.000 -0.103 0.000 1.074 440 F HN 0.485 nan 8.300 nan 0.000 0.553 441 G N 0.125 107.801 108.800 -1.874 0.000 2.469 441 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 441 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 441 G C 1.724 175.676 174.900 -1.581 0.000 1.150 441 G CA 1.012 44.649 45.100 -2.437 0.000 0.763 441 G HN 0.465 nan 8.290 nan 0.000 0.561 442 F N 0.739 120.110 119.950 -0.965 0.000 2.192 442 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 442 F C 3.129 178.926 175.800 -0.006 0.000 1.079 442 F CA 1.097 58.930 58.000 -0.278 0.000 1.303 442 F CB 0.020 38.996 39.000 -0.040 0.000 1.024 442 F HN 0.098 nan 8.300 nan 0.000 0.494 443 Q N 0.390 120.305 119.800 0.192 0.000 2.002 443 Q HA -0.202 4.137 4.340 -0.000 0.000 0.204 443 Q C 2.623 178.767 176.000 0.239 0.000 0.988 443 Q CA 1.666 57.685 55.803 0.359 0.000 0.843 443 Q CB -1.069 27.713 28.738 0.074 0.000 0.908 443 Q HN 0.458 nan 8.270 nan 0.000 0.420 444 A N 0.460 123.273 122.820 -0.012 0.000 1.858 444 A HA -0.186 4.133 4.320 -0.000 0.000 0.216 444 A C 1.888 179.651 177.584 0.298 0.000 1.190 444 A CA 1.398 53.553 52.037 0.197 0.000 0.617 444 A CB -1.088 17.982 19.000 0.117 0.000 0.827 444 A HN 0.394 nan 8.150 nan 0.000 0.443 445 W N 0.036 121.372 121.300 0.060 0.000 2.317 445 W HA -0.125 4.535 4.660 -0.000 0.000 0.318 445 W C 3.061 179.641 176.519 0.102 0.000 1.227 445 W CA 1.231 58.643 57.345 0.112 0.000 1.269 445 W CB -1.326 28.193 29.460 0.099 0.000 1.155 445 W HN 0.365 nan 8.180 nan 0.000 0.484 446 S N -1.052 114.868 115.700 0.366 0.000 2.377 446 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 446 S C 1.908 176.640 174.600 0.220 0.000 1.030 446 S CA 1.104 59.492 58.200 0.313 0.000 0.970 446 S CB -0.298 63.066 63.200 0.275 0.000 0.830 446 S HN -0.086 nan 8.310 nan 0.000 0.473 447 M N 1.503 121.116 119.600 0.023 0.000 2.296 447 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 447 M C 2.151 178.296 176.300 -0.258 0.000 1.064 447 M CA 0.983 56.050 55.300 -0.389 0.000 1.109 447 M CB -1.280 30.553 32.600 -1.279 0.000 1.396 447 M HN 0.420 nan 8.290 nan 0.000 0.430 448 Q N 1.169 120.939 119.800 -0.050 0.000 2.135 448 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 448 Q C 1.903 177.920 176.000 0.029 0.000 0.981 448 Q CA 1.679 57.523 55.803 0.068 0.000 0.856 448 Q CB -0.105 28.766 28.738 0.222 0.000 0.902 448 Q HN 0.480 nan 8.270 nan 0.000 0.425 449 R N -0.700 119.810 120.500 0.017 0.000 2.092 449 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 449 R C 2.451 178.757 176.300 0.010 0.000 1.119 449 R CA 1.332 57.433 56.100 0.001 0.000 0.970 449 R CB -0.300 30.037 30.300 0.061 0.000 0.864 449 R HN 0.071 nan 8.270 nan 0.000 0.440 450 V N 0.969 120.826 119.914 -0.096 0.000 2.515 450 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 450 V C 2.224 178.343 176.094 0.042 0.000 1.058 450 V CA 1.427 63.646 62.300 -0.134 0.000 1.064 450 V CB -0.346 31.201 31.823 -0.460 0.000 0.675 450 V HN 0.282 nan 8.190 nan 0.000 0.461 451 M N -0.535 119.079 119.600 0.024 0.000 2.132 451 M HA -0.124 4.355 4.480 -0.000 0.000 0.263 451 M C 2.133 178.514 176.300 0.135 0.000 1.065 451 M CA 1.483 56.867 55.300 0.140 0.000 1.122 451 M CB -1.215 31.477 32.600 0.152 0.000 1.365 451 M HN 0.428 nan 8.290 nan 0.000 0.411 452 E N -0.643 119.569 120.200 0.020 0.000 2.077 452 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 452 E C 1.993 178.616 176.600 0.038 0.000 0.989 452 E CA 1.340 57.681 56.400 -0.099 0.000 0.800 452 E CB -0.384 28.966 29.700 -0.584 0.000 0.746 452 E HN 0.529 nan 8.360 nan 0.000 0.452 453 Y N 0.405 120.745 120.300 0.067 0.000 2.128 453 Y HA -0.339 4.211 4.550 -0.000 0.000 0.284 453 Y C 2.245 178.063 175.900 -0.137 0.000 1.154 453 Y CA 1.796 59.890 58.100 -0.010 0.000 1.149 453 Y CB -0.475 37.954 38.460 -0.052 0.000 0.976 453 Y HN 0.062 nan 8.280 nan 0.000 0.505 454 Y N 0.434 120.637 120.300 -0.163 0.000 2.145 454 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 454 Y C 2.504 178.291 175.900 -0.189 0.000 1.145 454 Y CA 1.749 59.701 58.100 -0.247 0.000 1.148 454 Y CB -0.856 37.596 38.460 -0.014 0.000 0.981 454 Y HN 0.295 nan 8.280 nan 0.000 0.507 455 L N -0.074 121.128 121.223 -0.035 0.000 2.013 455 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 455 L C 2.183 179.169 176.870 0.193 0.000 1.073 455 L CA 2.123 57.003 54.840 0.067 0.000 0.753 455 L CB -0.338 41.759 42.059 0.064 0.000 0.890 455 L HN 0.285 nan 8.230 nan 0.000 0.432 456 E N -0.928 119.259 120.200 -0.021 0.000 2.158 456 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 456 E C 1.966 178.450 176.600 -0.193 0.000 0.982 456 E CA 1.650 58.027 56.400 -0.039 0.000 0.823 456 E CB 0.024 29.619 29.700 -0.176 0.000 0.766 456 E HN 0.656 nan 8.360 nan 0.000 0.468 457 T N -3.830 110.307 114.554 -0.695 0.000 3.000 457 T HA 0.259 4.609 4.350 -0.000 0.000 0.248 457 T C 1.581 175.470 174.700 -1.351 0.000 1.034 457 T CA 0.696 62.287 62.100 -0.848 0.000 1.060 457 T CB 0.416 68.606 68.868 -1.130 0.000 0.983 457 T HN 0.168 nan 8.240 nan 0.000 0.482 458 G N 2.235 109.866 108.800 -1.950 0.000 2.203 458 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 458 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 458 G C -0.214 174.101 174.900 -0.974 0.000 1.012 458 G CA 0.268 43.865 45.100 -2.505 0.000 0.749 458 G HN 0.796 nan 8.290 nan 0.000 0.512 459 D N 0.135 120.192 120.400 -0.571 0.000 2.382 459 D HA 0.425 5.065 4.640 -0.000 0.000 0.259 459 D C 1.454 177.809 176.300 0.091 0.000 1.224 459 D CA 0.452 54.358 54.000 -0.158 0.000 0.894 459 D CB 0.576 41.353 40.800 -0.038 0.000 1.127 459 D HN 0.021 nan 8.370 nan 0.000 0.487 460 S N 1.772 117.512 115.700 0.066 0.000 2.481 460 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 460 S C 1.961 176.608 174.600 0.078 0.000 0.996 460 S CA 0.820 59.080 58.200 0.101 0.000 0.942 460 S CB -0.116 63.130 63.200 0.078 0.000 0.768 460 S HN 0.691 nan 8.310 nan 0.000 0.520 461 S N 0.400 116.157 115.700 0.094 0.000 2.465 461 S HA -0.001 4.469 4.470 -0.000 0.000 0.241 461 S C 1.367 176.015 174.600 0.079 0.000 1.000 461 S CA 0.801 59.062 58.200 0.101 0.000 0.964 461 S CB -0.158 63.117 63.200 0.125 0.000 0.763 461 S HN 0.300 nan 8.310 nan 0.000 0.512 462 V N 0.185 120.128 119.914 0.048 0.000 3.477 462 V HA 0.322 4.442 4.120 -0.000 0.000 0.297 462 V C 2.012 178.013 176.094 -0.155 0.000 1.433 462 V CA 0.239 62.525 62.300 -0.023 0.000 1.052 462 V CB 0.081 31.933 31.823 0.049 0.000 0.895 462 V HN 0.447 nan 8.190 nan 0.000 0.438 463 K N 0.939 121.233 120.400 -0.176 0.000 2.032 463 K HA -0.200 4.120 4.320 -0.000 0.000 0.209 463 K C 1.835 178.377 176.600 -0.097 0.000 1.048 463 K CA 2.281 58.431 56.287 -0.229 0.000 0.927 463 K CB -0.035 32.409 32.500 -0.094 0.000 0.712 463 K HN 0.447 nan 8.250 nan 0.000 0.441 464 N N 0.702 119.384 118.700 -0.030 0.000 2.188 464 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 464 N C 1.685 177.174 175.510 -0.036 0.000 1.018 464 N CA 1.017 54.072 53.050 0.008 0.000 0.858 464 N CB -0.374 38.152 38.487 0.065 0.000 0.989 464 N HN 0.160 nan 8.380 nan 0.000 0.426 465 L N 1.273 122.436 121.223 -0.099 0.000 2.013 465 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 465 L C 1.934 178.760 176.870 -0.073 0.000 1.073 465 L CA 1.512 56.263 54.840 -0.148 0.000 0.753 465 L CB -0.545 41.410 42.059 -0.174 0.000 0.890 465 L HN 0.094 nan 8.230 nan 0.000 0.432 466 I N -0.827 119.684 120.570 -0.098 0.000 2.233 466 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 466 I C 2.355 178.447 176.117 -0.041 0.000 1.093 466 I CA 0.772 62.024 61.300 -0.081 0.000 1.380 466 I CB -0.420 37.491 38.000 -0.149 0.000 1.067 466 I HN 0.207 nan 8.210 nan 0.000 0.413 467 K N 1.005 121.391 120.400 -0.023 0.000 2.063 467 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 467 K C 2.015 178.644 176.600 0.048 0.000 1.048 467 K CA 1.397 57.693 56.287 0.014 0.000 0.928 467 K CB -0.505 32.040 32.500 0.074 0.000 0.713 467 K HN 0.295 nan 8.250 nan 0.000 0.442 468 K N -0.451 119.994 120.400 0.076 0.000 2.097 468 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 468 K C 2.056 178.760 176.600 0.174 0.000 1.050 468 K CA 1.076 57.426 56.287 0.106 0.000 0.938 468 K CB -0.178 32.376 32.500 0.090 0.000 0.718 468 K HN 0.193 nan 8.250 nan 0.000 0.442 469 W N 0.803 122.110 121.300 0.013 0.000 2.388 469 W HA -0.182 4.478 4.660 -0.000 0.000 0.294 469 W C 1.518 178.118 176.519 0.134 0.000 1.212 469 W CA 0.929 58.345 57.345 0.118 0.000 1.271 469 W CB -0.132 29.363 29.460 0.057 0.000 1.126 469 W HN -0.218 nan 8.180 nan 0.000 0.535 470 V N 1.081 121.099 119.914 0.174 0.000 2.343 470 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 470 V C 2.039 178.061 176.094 -0.120 0.000 1.051 470 V CA 2.390 64.639 62.300 -0.085 0.000 1.036 470 V CB -0.932 30.717 31.823 -0.290 0.000 0.654 470 V HN 0.082 nan 8.190 nan 0.000 0.451 471 D N -1.252 119.136 120.400 -0.019 0.000 2.097 471 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 471 D C 1.678 177.982 176.300 0.007 0.000 0.989 471 D CA 1.492 55.496 54.000 0.006 0.000 0.827 471 D CB -0.312 40.522 40.800 0.056 0.000 0.966 471 D HN 0.648 nan 8.370 nan 0.000 0.456 472 W N 1.703 122.899 121.300 -0.173 0.000 2.333 472 W HA -0.215 4.445 4.660 -0.000 0.000 0.316 472 W C 2.195 178.561 176.519 -0.256 0.000 1.215 472 W CA 1.186 58.416 57.345 -0.191 0.000 1.278 472 W CB -0.760 28.584 29.460 -0.194 0.000 1.154 472 W HN -0.219 nan 8.180 nan 0.000 0.486 473 V N 1.431 120.979 119.914 -0.611 0.000 2.287 473 V HA -0.391 3.729 4.120 -0.000 0.000 0.248 473 V C 2.479 178.289 176.094 -0.473 0.000 1.053 473 V CA 2.416 64.249 62.300 -0.779 0.000 1.027 473 V CB -0.841 30.421 31.823 -0.936 0.000 0.646 473 V HN 0.199 nan 8.190 nan 0.000 0.447 474 M N 0.393 119.809 119.600 -0.306 0.000 2.267 474 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 474 M C 2.312 178.507 176.300 -0.176 0.000 1.063 474 M CA 2.133 57.319 55.300 -0.189 0.000 1.090 474 M CB -1.386 31.150 32.600 -0.107 0.000 1.392 474 M HN 0.659 nan 8.290 nan 0.000 0.422 475 S N -1.100 114.481 115.700 -0.198 0.000 2.558 475 S HA 0.037 4.507 4.470 -0.000 0.000 0.217 475 S C 1.406 175.891 174.600 -0.192 0.000 0.975 475 S CA 0.351 58.461 58.200 -0.151 0.000 0.912 475 S CB 0.084 63.231 63.200 -0.087 0.000 0.776 475 S HN 0.381 nan 8.310 nan 0.000 0.526 476 E N 0.397 120.416 120.200 -0.302 0.000 2.511 476 E HA 0.385 4.734 4.350 -0.000 0.000 0.209 476 E C -0.064 176.418 176.600 -0.196 0.000 0.986 476 E CA -0.128 56.101 56.400 -0.286 0.000 0.974 476 E CB 0.550 29.894 29.700 -0.593 0.000 1.030 476 E HN 0.577 nan 8.360 nan 0.000 0.490 477 I N 1.670 122.114 120.570 -0.211 0.000 2.428 477 I HA 0.083 4.253 4.170 -0.000 0.000 0.289 477 I C 0.316 176.339 176.117 -0.156 0.000 1.019 477 I CA 0.021 61.235 61.300 -0.144 0.000 1.351 477 I CB 0.755 38.682 38.000 -0.122 0.000 1.412 477 I HN -0.415 nan 8.210 nan 0.000 0.513 478 K N 7.210 127.506 120.400 -0.174 0.000 2.367 478 K HA 0.535 4.855 4.320 -0.000 0.000 0.263 478 K C -1.255 175.109 176.600 -0.393 0.000 1.000 478 K CA -0.433 55.626 56.287 -0.379 0.000 0.891 478 K CB 1.341 33.493 32.500 -0.580 0.000 1.117 478 K HN 0.452 nan 8.250 nan 0.000 0.443 479 L N 4.659 125.683 121.223 -0.332 0.000 2.265 479 L HA 0.412 4.751 4.340 -0.000 0.000 0.289 479 L C -0.605 176.116 176.870 -0.249 0.000 1.033 479 L CA -0.957 53.765 54.840 -0.197 0.000 0.814 479 L CB 0.211 42.223 42.059 -0.078 0.000 1.203 479 L HN 0.493 nan 8.230 nan 0.000 0.423 480 Y N 1.242 121.574 120.300 0.052 0.000 2.335 480 Y HA 0.097 4.647 4.550 -0.000 0.000 0.323 480 Y C 1.352 177.266 175.900 0.023 0.000 1.224 480 Y CA -0.615 57.498 58.100 0.022 0.000 1.241 480 Y CB 1.001 39.472 38.460 0.018 0.000 1.235 480 Y HN 0.556 nan 8.280 nan 0.000 0.492 481 D N 0.891 121.397 120.400 0.177 0.000 2.158 481 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 481 D C 1.247 177.598 176.300 0.085 0.000 0.995 481 D CA 1.840 55.896 54.000 0.093 0.000 0.846 481 D CB -0.228 40.610 40.800 0.064 0.000 0.941 481 D HN 0.731 nan 8.370 nan 0.000 0.456 482 D N -0.918 119.547 120.400 0.107 0.000 2.352 482 D HA 0.077 4.717 4.640 -0.000 0.000 0.232 482 D C 1.446 177.821 176.300 0.124 0.000 1.055 482 D CA 0.827 54.878 54.000 0.085 0.000 0.891 482 D CB -0.229 40.601 40.800 0.050 0.000 0.897 482 D HN 0.243 nan 8.370 nan 0.000 0.529 483 G N -0.059 108.831 108.800 0.150 0.000 2.157 483 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 483 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 483 G C 0.548 175.623 174.900 0.292 0.000 0.979 483 G CA 0.600 45.798 45.100 0.164 0.000 0.650 483 G HN 0.774 nan 8.290 nan 0.000 0.529 484 T N -1.148 113.600 114.554 0.324 0.000 2.771 484 T HA 0.776 5.126 4.350 -0.000 0.000 0.290 484 T C 0.118 175.145 174.700 0.545 0.000 1.005 484 T CA 0.202 62.552 62.100 0.417 0.000 0.944 484 T CB 1.809 70.839 68.868 0.269 0.000 1.147 484 T HN 1.610 nan 8.240 nan 0.000 0.534 485 F N -2.122 118.035 119.950 0.344 0.000 2.745 485 F HA 0.851 5.378 4.527 -0.000 0.000 0.316 485 F C -1.336 174.596 175.800 0.220 0.000 1.155 485 F CA -1.460 56.645 58.000 0.174 0.000 0.937 485 F CB 1.048 40.114 39.000 0.110 0.000 1.361 485 F HN 0.934 nan 8.300 nan 0.000 0.472 486 A N 1.679 124.457 122.820 -0.071 0.000 2.574 486 A HA 0.829 5.149 4.320 -0.000 0.000 0.297 486 A C -1.424 176.211 177.584 0.085 0.000 1.062 486 A CA -0.539 51.405 52.037 -0.154 0.000 0.686 486 A CB 1.523 20.535 19.000 0.021 0.000 1.285 486 A HN 1.401 nan 8.150 nan 0.000 0.403 487 I N -1.532 119.087 120.570 0.082 0.000 3.042 487 I HA 0.751 4.921 4.170 -0.000 0.000 0.310 487 I C -2.962 173.038 176.117 -0.194 0.000 1.117 487 I CA -3.155 58.143 61.300 -0.004 0.000 1.003 487 I CB 2.251 40.277 38.000 0.044 0.000 1.228 487 I HN 0.247 nan 8.210 nan 0.000 0.443 488 P HA 0.101 nan 4.420 nan 0.000 0.266 488 P C -0.067 176.908 177.300 -0.543 0.000 1.195 488 P CA 0.056 62.611 63.100 -0.909 0.000 0.768 488 P CB 0.849 31.729 31.700 -1.367 0.000 0.838 489 S N -0.262 115.282 115.700 -0.261 0.000 2.818 489 S HA 0.209 4.678 4.470 -0.000 0.000 0.251 489 S C 0.073 174.776 174.600 0.172 0.000 1.083 489 S CA -0.076 58.157 58.200 0.056 0.000 0.871 489 S CB -0.084 63.182 63.200 0.109 0.000 0.831 489 S HN 0.266 nan 8.310 nan 0.000 0.470 490 D N 1.303 121.739 120.400 0.060 0.000 2.362 490 D HA 0.728 5.368 4.640 -0.000 0.000 0.247 490 D C -1.384 174.970 176.300 0.090 0.000 1.050 490 D CA -0.286 53.799 54.000 0.141 0.000 0.839 490 D CB 1.875 42.744 40.800 0.116 0.000 1.283 490 D HN 0.077 nan 8.370 nan 0.000 0.477 491 L N 1.291 122.632 121.223 0.197 0.000 2.362 491 L HA 0.459 4.799 4.340 -0.000 0.000 0.271 491 L C -0.013 176.904 176.870 0.077 0.000 1.002 491 L CA -0.695 54.208 54.840 0.105 0.000 0.818 491 L CB 1.687 43.904 42.059 0.264 0.000 1.298 491 L HN 0.359 nan 8.230 nan 0.000 0.420 492 E N 1.437 121.557 120.200 -0.133 0.000 2.248 492 E HA 0.459 4.809 4.350 -0.000 0.000 0.267 492 E C -1.865 174.599 176.600 -0.226 0.000 0.877 492 E CA -0.543 55.846 56.400 -0.018 0.000 0.759 492 E CB 1.347 31.064 29.700 0.029 0.000 1.182 492 E HN 0.480 nan 8.360 nan 0.000 0.418 493 W N 2.022 123.401 121.300 0.131 0.000 2.761 493 W HA 0.470 5.130 4.660 -0.000 0.000 0.340 493 W C -0.436 176.131 176.519 0.080 0.000 1.072 493 W CA -0.416 56.972 57.345 0.071 0.000 1.215 493 W CB 2.127 31.586 29.460 -0.001 0.000 1.420 493 W HN 0.475 nan 8.180 nan 0.000 0.519 494 S N 1.374 117.266 115.700 0.319 0.000 2.588 494 S HA 0.909 5.378 4.470 -0.000 0.000 0.275 494 S C -0.049 174.671 174.600 0.200 0.000 1.130 494 S CA -0.317 58.023 58.200 0.233 0.000 0.855 494 S CB 1.513 64.813 63.200 0.166 0.000 1.116 494 S HN 1.607 nan 8.310 nan 0.000 0.472 495 G N 1.044 109.932 108.800 0.148 0.000 2.593 495 G HA2 0.009 3.969 3.960 -0.000 0.000 0.237 495 G HA3 0.009 3.969 3.960 -0.000 0.000 0.237 495 G C -1.219 173.674 174.900 -0.013 0.000 1.312 495 G CA -0.232 44.910 45.100 0.071 0.000 0.896 495 G HN 0.998 nan 8.290 nan 0.000 0.574 496 Q N 0.121 119.813 119.800 -0.180 0.000 2.418 496 Q HA 0.505 4.845 4.340 -0.000 0.000 0.282 496 Q C -2.583 173.093 176.000 -0.540 0.000 1.044 496 Q CA -1.650 53.858 55.803 -0.492 0.000 0.813 496 Q CB 3.353 31.950 28.738 -0.236 0.000 1.428 496 Q HN 0.589 nan 8.270 nan 0.000 0.402 497 P HA 0.007 nan 4.420 nan 0.000 0.272 497 P C -0.881 176.284 177.300 -0.225 0.000 1.240 497 P CA -0.129 62.615 63.100 -0.592 0.000 0.791 497 P CB 0.701 31.729 31.700 -1.120 0.000 0.978 498 D N 0.155 120.531 120.400 -0.040 0.000 2.339 498 D HA 0.083 4.723 4.640 -0.000 0.000 0.245 498 D C 0.271 176.789 176.300 0.363 0.000 1.115 498 D CA 0.272 54.331 54.000 0.098 0.000 0.917 498 D CB 0.127 40.958 40.800 0.051 0.000 1.192 498 D HN 0.230 nan 8.370 nan 0.000 0.428 499 T N 1.649 116.386 114.554 0.305 0.000 2.891 499 T HA -0.130 4.220 4.350 -0.000 0.000 0.296 499 T C 0.296 175.192 174.700 0.328 0.000 1.025 499 T CA 0.038 62.343 62.100 0.343 0.000 1.149 499 T CB 0.263 69.222 68.868 0.151 0.000 1.007 499 T HN 0.257 nan 8.240 nan 0.000 0.528 500 W N 3.279 124.603 121.300 0.041 0.000 2.303 500 W HA 0.163 4.823 4.660 -0.000 0.000 0.318 500 W C 0.299 176.728 176.519 -0.149 0.000 1.362 500 W CA -0.184 57.132 57.345 -0.049 0.000 1.234 500 W CB 0.591 29.890 29.460 -0.269 0.000 1.248 500 W HN 0.589 nan 8.180 nan 0.000 0.546 501 T N 3.441 117.570 114.554 -0.708 0.000 3.144 501 T HA 0.213 4.563 4.350 -0.000 0.000 0.290 501 T C 0.876 175.090 174.700 -0.811 0.000 0.966 501 T CA 0.573 62.327 62.100 -0.576 0.000 0.907 501 T CB -0.155 68.522 68.868 -0.319 0.000 1.152 501 T HN 0.838 nan 8.240 nan 0.000 0.532 502 G N 1.248 109.068 108.800 -1.634 0.000 2.179 502 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.220 502 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.220 502 G C 0.129 174.446 174.900 -0.971 0.000 0.990 502 G CA 0.131 44.536 45.100 -1.158 0.000 0.646 502 G HN 0.568 nan 8.290 nan 0.000 0.517 503 T N -0.202 113.621 114.554 -1.219 0.000 3.105 503 T HA 0.427 4.777 4.350 -0.000 0.000 0.321 503 T C -1.068 173.544 174.700 -0.147 0.000 1.135 503 T CA -0.602 61.250 62.100 -0.413 0.000 1.053 503 T CB 1.997 70.737 68.868 -0.212 0.000 1.133 503 T HN 0.529 nan 8.240 nan 0.000 0.463 504 Y N 3.268 123.661 120.300 0.155 0.000 2.632 504 Y HA 0.221 4.771 4.550 -0.000 0.000 0.329 504 Y C 1.724 177.688 175.900 0.107 0.000 1.174 504 Y CA 0.134 58.405 58.100 0.285 0.000 1.469 504 Y CB 0.712 39.328 38.460 0.260 0.000 1.242 504 Y HN 0.806 nan 8.280 nan 0.000 0.540 505 T N 0.957 115.325 114.554 -0.309 0.000 3.086 505 T HA 0.293 4.643 4.350 -0.000 0.000 0.250 505 T C 1.357 175.689 174.700 -0.613 0.000 1.074 505 T CA 0.379 62.265 62.100 -0.357 0.000 0.988 505 T CB -0.277 68.479 68.868 -0.187 0.000 0.988 505 T HN 1.270 nan 8.240 nan 0.000 0.530 506 G N 2.051 110.008 108.800 -1.405 0.000 2.195 506 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.246 506 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.246 506 G C 0.225 174.831 174.900 -0.489 0.000 0.984 506 G CA -0.146 44.386 45.100 -0.947 0.000 0.633 506 G HN 0.593 nan 8.290 nan 0.000 0.525 507 N N -0.257 118.192 118.700 -0.417 0.000 2.696 507 N HA -0.159 4.581 4.740 -0.000 0.000 0.271 507 N C -0.831 174.534 175.510 -0.242 0.000 0.997 507 N CA 1.303 54.207 53.050 -0.242 0.000 0.801 507 N CB -0.319 38.056 38.487 -0.185 0.000 0.913 507 N HN 0.487 nan 8.380 nan 0.000 0.557 508 P HA -0.119 nan 4.420 nan 0.000 0.225 508 P C 0.340 177.525 177.300 -0.191 0.000 1.148 508 P CA 1.221 64.223 63.100 -0.163 0.000 0.779 508 P CB 0.163 31.810 31.700 -0.087 0.000 0.780 509 N N -1.073 117.516 118.700 -0.185 0.000 2.270 509 N HA 0.094 4.834 4.740 -0.000 0.000 0.198 509 N C -0.080 175.293 175.510 -0.227 0.000 1.117 509 N CA -0.362 52.613 53.050 -0.124 0.000 0.845 509 N CB 0.032 38.498 38.487 -0.036 0.000 0.980 509 N HN 0.029 nan 8.380 nan 0.000 0.486 510 L N 1.918 122.897 121.223 -0.406 0.000 2.257 510 L HA 0.287 4.627 4.340 -0.000 0.000 0.290 510 L C -0.991 175.619 176.870 -0.433 0.000 1.044 510 L CA -0.484 54.160 54.840 -0.326 0.000 0.810 510 L CB 0.041 41.913 42.059 -0.311 0.000 1.193 510 L HN 0.145 nan 8.230 nan 0.000 0.425 511 H N 3.847 122.926 119.070 0.015 0.000 2.637 511 H HA 0.572 5.128 4.556 -0.000 0.000 0.363 511 H C -1.068 174.170 175.328 -0.150 0.000 1.131 511 H CA -0.625 55.389 56.048 -0.056 0.000 1.183 511 H CB 2.561 32.294 29.762 -0.049 0.000 1.637 511 H HN 0.424 nan 8.280 nan 0.000 0.531 512 V N 3.268 123.010 119.914 -0.287 0.000 2.680 512 V HA 0.558 4.678 4.120 -0.000 0.000 0.309 512 V C -0.683 175.220 176.094 -0.319 0.000 1.052 512 V CA -0.722 61.136 62.300 -0.736 0.000 0.908 512 V CB 2.412 33.356 31.823 -1.466 0.000 1.001 512 V HN 0.891 nan 8.190 nan 0.000 0.431 513 R N 4.477 124.811 120.500 -0.275 0.000 2.628 513 R HA 0.721 5.061 4.340 -0.000 0.000 0.288 513 R C -2.075 174.174 176.300 -0.084 0.000 0.980 513 R CA -0.588 55.457 56.100 -0.091 0.000 0.891 513 R CB 2.220 32.486 30.300 -0.056 0.000 1.188 513 R HN 0.518 nan 8.270 nan 0.000 0.450 514 V N 4.289 124.178 119.914 -0.042 0.000 2.427 514 V HA 0.124 4.243 4.120 -0.000 0.000 0.268 514 V C 1.237 177.252 176.094 -0.132 0.000 1.046 514 V CA 0.257 62.464 62.300 -0.156 0.000 0.970 514 V CB 1.023 32.624 31.823 -0.371 0.000 1.001 514 V HN 1.071 nan 8.190 nan 0.000 0.476 515 T N 0.040 114.532 114.554 -0.102 0.000 3.037 515 T HA 0.169 4.519 4.350 -0.000 0.000 0.251 515 T C 0.616 175.308 174.700 -0.013 0.000 1.079 515 T CA 0.465 62.553 62.100 -0.021 0.000 1.067 515 T CB 0.205 69.085 68.868 0.021 0.000 0.948 515 T HN 0.766 nan 8.240 nan 0.000 0.496 516 S N -0.421 115.203 115.700 -0.127 0.000 2.570 516 S HA 0.711 5.180 4.470 -0.000 0.000 0.270 516 S C -1.922 172.518 174.600 -0.268 0.000 1.149 516 S CA -1.056 57.115 58.200 -0.048 0.000 0.837 516 S CB 1.227 64.452 63.200 0.042 0.000 1.124 516 S HN 0.216 nan 8.310 nan 0.000 0.465 517 Y N -0.097 120.182 120.300 -0.034 0.000 2.598 517 Y HA 0.919 5.469 4.550 -0.000 0.000 0.340 517 Y C 0.966 176.839 175.900 -0.045 0.000 1.038 517 Y CA 0.023 58.081 58.100 -0.069 0.000 1.100 517 Y CB 2.269 40.682 38.460 -0.078 0.000 1.281 517 Y HN 1.268 nan 8.280 nan 0.000 0.488 518 G N -0.818 108.030 108.800 0.080 0.000 2.561 518 G HA2 0.384 4.343 3.960 -0.000 0.000 0.310 518 G HA3 0.384 4.343 3.960 -0.000 0.000 0.310 518 G C -0.869 173.976 174.900 -0.093 0.000 1.292 518 G CA -0.297 44.813 45.100 0.015 0.000 0.811 518 G HN 0.496 nan 8.290 nan 0.000 0.482 519 T N -0.277 114.208 114.554 -0.116 0.000 3.275 519 T HA 0.194 4.544 4.350 -0.000 0.000 0.298 519 T C -0.036 174.573 174.700 -0.151 0.000 0.988 519 T CA 0.098 62.020 62.100 -0.297 0.000 0.936 519 T CB -0.446 68.244 68.868 -0.297 0.000 1.159 519 T HN 0.490 nan 8.240 nan 0.000 0.519 520 D N 1.833 122.224 120.400 -0.016 0.000 2.662 520 D HA -0.047 4.593 4.640 -0.000 0.000 0.237 520 D C 1.153 177.388 176.300 -0.108 0.000 1.154 520 D CA 0.395 54.393 54.000 -0.004 0.000 0.861 520 D CB 0.596 41.480 40.800 0.139 0.000 1.146 520 D HN 0.420 nan 8.370 nan 0.000 0.518 521 L N 3.868 124.900 121.223 -0.319 0.000 2.209 521 L HA 0.084 4.424 4.340 -0.000 0.000 0.207 521 L C 2.549 179.182 176.870 -0.396 0.000 1.094 521 L CA 0.790 55.455 54.840 -0.290 0.000 0.790 521 L CB -0.204 41.724 42.059 -0.219 0.000 0.932 521 L HN 0.532 nan 8.230 nan 0.000 0.447 522 G N 0.022 108.197 108.800 -1.042 0.000 2.453 522 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 522 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 522 G C 1.564 176.542 174.900 0.130 0.000 1.201 522 G CA 1.000 45.746 45.100 -0.590 0.000 0.784 522 G HN 0.133 nan 8.290 nan 0.000 0.545 523 V N 1.815 121.812 119.914 0.139 0.000 2.380 523 V HA -0.200 3.920 4.120 -0.000 0.000 0.251 523 V C 3.340 179.549 176.094 0.192 0.000 1.063 523 V CA 2.130 64.555 62.300 0.209 0.000 1.055 523 V CB -0.998 30.923 31.823 0.164 0.000 0.657 523 V HN 0.501 nan 8.190 nan 0.000 0.455 524 A N 0.463 123.353 122.820 0.118 0.000 1.902 524 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 524 A C 2.422 180.048 177.584 0.070 0.000 1.181 524 A CA 1.968 54.056 52.037 0.085 0.000 0.623 524 A CB -1.152 17.850 19.000 0.003 0.000 0.818 524 A HN 0.531 nan 8.150 nan 0.000 0.443 525 G N -1.175 107.675 108.800 0.083 0.000 2.404 525 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.215 525 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.215 525 G C 1.910 176.920 174.900 0.182 0.000 1.174 525 G CA 1.334 46.495 45.100 0.103 0.000 0.780 525 G HN 0.513 nan 8.290 nan 0.000 0.537 526 S N -0.183 115.700 115.700 0.306 0.000 2.370 526 S HA -0.119 4.350 4.470 -0.000 0.000 0.226 526 S C 2.317 177.113 174.600 0.326 0.000 1.033 526 S CA 1.429 59.871 58.200 0.404 0.000 1.011 526 S CB -0.293 63.274 63.200 0.613 0.000 0.852 526 S HN 0.212 nan 8.310 nan 0.000 0.457 527 L N 1.692 123.087 121.223 0.286 0.000 2.046 527 L HA 0.106 4.446 4.340 -0.000 0.000 0.208 527 L C 2.497 179.497 176.870 0.218 0.000 1.077 527 L CA 2.060 57.074 54.840 0.290 0.000 0.747 527 L CB -1.278 40.941 42.059 0.265 0.000 0.896 527 L HN 0.310 nan 8.230 nan 0.000 0.432 528 A N -0.417 122.485 122.820 0.138 0.000 1.908 528 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 528 A C 2.228 179.880 177.584 0.114 0.000 1.181 528 A CA 1.945 54.030 52.037 0.080 0.000 0.627 528 A CB -0.969 18.041 19.000 0.018 0.000 0.818 528 A HN 0.623 nan 8.150 nan 0.000 0.445 529 N N 0.587 119.374 118.700 0.145 0.000 2.025 529 N HA -0.159 4.581 4.740 -0.000 0.000 0.194 529 N C 1.909 177.540 175.510 0.201 0.000 1.044 529 N CA 2.302 55.448 53.050 0.159 0.000 0.851 529 N CB -0.676 37.921 38.487 0.183 0.000 1.036 529 N HN 0.357 nan 8.380 nan 0.000 0.422 530 A N 1.327 124.296 122.820 0.249 0.000 1.884 530 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 530 A C 2.652 180.421 177.584 0.308 0.000 1.197 530 A CA 1.693 53.892 52.037 0.269 0.000 0.637 530 A CB -1.078 18.124 19.000 0.336 0.000 0.827 530 A HN 0.416 nan 8.150 nan 0.000 0.450 531 L N -1.190 120.211 121.223 0.295 0.000 2.056 531 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 531 L C 3.135 180.171 176.870 0.276 0.000 1.078 531 L CA 1.084 56.097 54.840 0.289 0.000 0.749 531 L CB -0.546 41.623 42.059 0.183 0.000 0.901 531 L HN 0.467 nan 8.230 nan 0.000 0.433 532 A N -0.460 122.480 122.820 0.199 0.000 1.873 532 A HA -0.195 4.124 4.320 -0.000 0.000 0.215 532 A C 2.356 180.096 177.584 0.260 0.000 1.186 532 A CA 2.279 54.450 52.037 0.223 0.000 0.616 532 A CB -0.988 18.130 19.000 0.196 0.000 0.823 532 A HN 0.373 nan 8.150 nan 0.000 0.442 533 T N -1.177 113.480 114.554 0.171 0.000 2.635 533 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 533 T C 1.800 176.565 174.700 0.108 0.000 1.040 533 T CA 1.937 64.062 62.100 0.041 0.000 1.156 533 T CB -0.555 68.356 68.868 0.071 0.000 0.863 533 T HN 0.595 nan 8.240 nan 0.000 0.430 534 Y N 2.223 122.600 120.300 0.128 0.000 2.165 534 Y HA -0.121 4.428 4.550 -0.000 0.000 0.286 534 Y C 2.492 178.509 175.900 0.194 0.000 1.155 534 Y CA 1.037 59.248 58.100 0.184 0.000 1.164 534 Y CB -0.850 37.731 38.460 0.201 0.000 0.978 534 Y HN 0.182 nan 8.280 nan 0.000 0.513 535 A N 0.821 123.669 122.820 0.047 0.000 1.877 535 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 535 A C 2.491 180.119 177.584 0.073 0.000 1.186 535 A CA 2.172 54.206 52.037 -0.004 0.000 0.620 535 A CB -1.636 17.453 19.000 0.147 0.000 0.822 535 A HN 0.671 nan 8.150 nan 0.000 0.443 536 A N -0.097 122.803 122.820 0.134 0.000 1.908 536 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 536 A C 2.522 180.008 177.584 -0.164 0.000 1.181 536 A CA 2.409 54.374 52.037 -0.120 0.000 0.627 536 A CB -1.106 17.579 19.000 -0.525 0.000 0.818 536 A HN 1.155 nan 8.150 nan 0.000 0.445 537 A N -0.273 122.478 122.820 -0.115 0.000 1.908 537 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 537 A C 2.463 180.061 177.584 0.022 0.000 1.181 537 A CA 2.733 54.761 52.037 -0.014 0.000 0.627 537 A CB -1.516 17.585 19.000 0.169 0.000 0.818 537 A HN 0.846 nan 8.150 nan 0.000 0.445 538 T N -2.259 112.251 114.554 -0.073 0.000 2.788 538 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 538 T C 1.726 176.422 174.700 -0.008 0.000 1.044 538 T CA 1.552 63.638 62.100 -0.023 0.000 1.139 538 T CB -0.321 68.453 68.868 -0.158 0.000 0.867 538 T HN 0.621 nan 8.240 nan 0.000 0.454 539 E N 0.994 121.169 120.200 -0.042 0.000 2.072 539 E HA -0.146 4.203 4.350 -0.000 0.000 0.191 539 E C 2.550 179.069 176.600 -0.135 0.000 0.985 539 E CA 0.718 57.088 56.400 -0.049 0.000 0.801 539 E CB -0.098 29.586 29.700 -0.026 0.000 0.750 539 E HN 0.523 nan 8.360 nan 0.000 0.452 540 R N -0.877 119.469 120.500 -0.258 0.000 2.075 540 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 540 R C 1.311 177.242 176.300 -0.614 0.000 1.126 540 R CA 1.891 57.663 56.100 -0.547 0.000 0.963 540 R CB -0.053 29.756 30.300 -0.818 0.000 0.858 540 R HN 0.253 nan 8.270 nan 0.000 0.435 541 W N -1.052 120.175 121.300 -0.120 0.000 2.871 541 W HA 0.271 4.931 4.660 -0.000 0.000 0.267 541 W C 1.430 177.935 176.519 -0.023 0.000 1.180 541 W CA -0.370 56.913 57.345 -0.104 0.000 1.463 541 W CB 0.616 29.943 29.460 -0.222 0.000 0.966 541 W HN 0.034 nan 8.180 nan 0.000 0.605 542 E N 0.004 120.321 120.200 0.195 0.000 2.472 542 E HA 0.172 4.522 4.350 -0.000 0.000 0.196 542 E C 1.730 178.391 176.600 0.101 0.000 1.033 542 E CA 0.483 56.983 56.400 0.167 0.000 0.886 542 E CB 0.285 30.091 29.700 0.176 0.000 0.944 542 E HN 0.222 nan 8.360 nan 0.000 0.492 543 G N 2.562 111.399 108.800 0.062 0.000 2.168 543 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.263 543 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.263 543 G C 0.293 175.215 174.900 0.038 0.000 0.977 543 G CA 0.948 46.071 45.100 0.039 0.000 0.659 543 G HN 0.226 nan 8.290 nan 0.000 0.533 544 K N -0.251 120.176 120.400 0.044 0.000 2.695 544 K HA 0.479 4.799 4.320 -0.000 0.000 0.255 544 K C -0.371 176.253 176.600 0.040 0.000 1.016 544 K CA -1.092 55.222 56.287 0.044 0.000 0.928 544 K CB 0.810 33.343 32.500 0.054 0.000 1.235 544 K HN 0.364 nan 8.250 nan 0.000 0.467 545 L N 3.875 125.123 121.223 0.041 0.000 2.477 545 L HA 0.166 4.506 4.340 -0.000 0.000 0.272 545 L C -0.189 176.705 176.870 0.040 0.000 1.157 545 L CA 0.579 55.449 54.840 0.050 0.000 0.889 545 L CB 0.565 42.681 42.059 0.094 0.000 1.158 545 L HN 0.581 nan 8.230 nan 0.000 0.473 546 D N 3.607 124.017 120.400 0.017 0.000 2.383 546 D HA -0.001 4.639 4.640 -0.000 0.000 0.245 546 D C 0.956 177.278 176.300 0.037 0.000 1.263 546 D CA 0.274 54.304 54.000 0.050 0.000 0.936 546 D CB 0.947 41.808 40.800 0.103 0.000 1.053 546 D HN 0.787 nan 8.370 nan 0.000 0.507 547 T N 3.099 117.666 114.554 0.023 0.000 2.746 547 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 547 T C 1.743 176.425 174.700 -0.029 0.000 1.039 547 T CA 1.099 63.189 62.100 -0.017 0.000 1.142 547 T CB 0.186 69.053 68.868 -0.001 0.000 0.866 547 T HN 0.397 nan 8.240 nan 0.000 0.444 548 K N 0.636 121.042 120.400 0.011 0.000 2.148 548 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 548 K C 2.500 179.109 176.600 0.015 0.000 1.050 548 K CA 1.062 57.355 56.287 0.009 0.000 0.942 548 K CB -0.149 32.365 32.500 0.024 0.000 0.724 548 K HN 0.265 nan 8.250 nan 0.000 0.446 549 A N 1.565 124.426 122.820 0.069 0.000 1.897 549 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 549 A C 2.091 179.683 177.584 0.013 0.000 1.181 549 A CA 1.041 53.144 52.037 0.109 0.000 0.620 549 A CB -0.398 18.795 19.000 0.322 0.000 0.821 549 A HN 0.192 nan 8.150 nan 0.000 0.443 550 R N -0.194 120.251 120.500 -0.092 0.000 2.096 550 R HA -0.203 4.137 4.340 -0.000 0.000 0.240 550 R C 1.198 177.352 176.300 -0.244 0.000 1.139 550 R CA 2.131 58.037 56.100 -0.323 0.000 0.952 550 R CB -0.380 29.571 30.300 -0.581 0.000 0.854 550 R HN 0.420 nan 8.270 nan 0.000 0.436 551 D N 0.054 120.363 120.400 -0.153 0.000 2.183 551 D HA -0.134 4.506 4.640 -0.000 0.000 0.203 551 D C 1.711 177.963 176.300 -0.080 0.000 0.969 551 D CA 0.941 54.876 54.000 -0.108 0.000 0.842 551 D CB -0.124 40.632 40.800 -0.073 0.000 0.957 551 D HN 0.205 nan 8.370 nan 0.000 0.484 552 M N 0.861 120.423 119.600 -0.063 0.000 2.254 552 M HA 0.051 4.530 4.480 -0.000 0.000 0.265 552 M C 1.811 178.077 176.300 -0.057 0.000 1.066 552 M CA 0.988 56.258 55.300 -0.051 0.000 1.123 552 M CB -0.271 32.307 32.600 -0.036 0.000 1.388 552 M HN -0.046 nan 8.290 nan 0.000 0.425 553 A N -0.113 122.671 122.820 -0.061 0.000 1.902 553 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 553 A C 2.376 179.892 177.584 -0.113 0.000 1.181 553 A CA 2.016 54.014 52.037 -0.065 0.000 0.623 553 A CB -1.417 17.548 19.000 -0.058 0.000 0.818 553 A HN 0.623 nan 8.150 nan 0.000 0.443 554 A N -0.429 122.309 122.820 -0.136 0.000 1.873 554 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 554 A C 1.938 179.515 177.584 -0.013 0.000 1.186 554 A CA 1.613 53.585 52.037 -0.107 0.000 0.616 554 A CB -0.489 18.482 19.000 -0.048 0.000 0.823 554 A HN 0.468 nan 8.150 nan 0.000 0.442 555 E N 0.104 120.283 120.200 -0.035 0.000 2.097 555 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 555 E C 2.058 178.618 176.600 -0.067 0.000 1.000 555 E CA 1.246 57.626 56.400 -0.033 0.000 0.804 555 E CB -0.477 29.197 29.700 -0.044 0.000 0.740 555 E HN 0.679 nan 8.360 nan 0.000 0.454 556 L N 0.294 121.448 121.223 -0.114 0.000 2.056 556 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 556 L C 2.595 179.367 176.870 -0.165 0.000 1.078 556 L CA 0.713 55.413 54.840 -0.233 0.000 0.749 556 L CB -0.408 41.541 42.059 -0.182 0.000 0.901 556 L HN -0.009 nan 8.230 nan 0.000 0.433 557 V N 0.042 119.937 119.914 -0.032 0.000 2.270 557 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 557 V C 2.224 178.495 176.094 0.294 0.000 1.043 557 V CA 1.814 64.170 62.300 0.094 0.000 1.014 557 V CB -0.711 31.137 31.823 0.043 0.000 0.645 557 V HN 0.463 nan 8.190 nan 0.000 0.447 558 N N 0.774 119.678 118.700 0.340 0.000 2.021 558 N HA -0.223 4.517 4.740 -0.000 0.000 0.198 558 N C 1.925 177.711 175.510 0.460 0.000 1.041 558 N CA 1.839 55.174 53.050 0.474 0.000 0.862 558 N CB -0.492 38.084 38.487 0.149 0.000 1.048 558 N HN 0.450 nan 8.380 nan 0.000 0.427 559 R N 0.285 120.928 120.500 0.238 0.000 2.152 559 R HA 0.074 4.414 4.340 -0.000 0.000 0.232 559 R C 2.074 178.616 176.300 0.404 0.000 1.117 559 R CA 1.123 57.404 56.100 0.302 0.000 0.981 559 R CB -0.191 30.223 30.300 0.190 0.000 0.870 559 R HN 0.250 nan 8.270 nan 0.000 0.451 560 A N 0.356 123.306 122.820 0.217 0.000 1.930 560 A HA -0.127 4.193 4.320 -0.000 0.000 0.215 560 A C 1.787 179.683 177.584 0.521 0.000 1.176 560 A CA 0.468 52.706 52.037 0.334 0.000 0.632 560 A CB -0.637 18.415 19.000 0.087 0.000 0.819 560 A HN 0.552 nan 8.150 nan 0.000 0.445 561 W N -0.734 120.765 121.300 0.332 0.000 2.413 561 W HA -0.203 4.457 4.660 -0.000 0.000 0.315 561 W C 2.007 178.771 176.519 0.407 0.000 1.186 561 W CA 1.793 59.333 57.345 0.325 0.000 1.326 561 W CB -0.613 28.997 29.460 0.250 0.000 1.153 561 W HN 0.443 nan 8.180 nan 0.000 0.489 562 Y N 2.473 123.011 120.300 0.396 0.000 2.029 562 Y HA -0.363 4.187 4.550 -0.000 0.000 0.269 562 Y C 2.256 178.206 175.900 0.084 0.000 1.201 562 Y CA 2.773 61.014 58.100 0.236 0.000 1.115 562 Y CB -1.083 37.566 38.460 0.314 0.000 0.945 562 Y HN -0.001 nan 8.280 nan 0.000 0.497 563 N N -1.581 117.190 118.700 0.118 0.000 2.422 563 N HA -0.033 4.707 4.740 -0.000 0.000 0.181 563 N C 0.255 175.455 175.510 -0.518 0.000 1.080 563 N CA 0.747 53.652 53.050 -0.240 0.000 0.893 563 N CB 0.046 38.501 38.487 -0.053 0.000 0.973 563 N HN 0.346 nan 8.380 nan 0.000 0.456 564 F N -0.724 119.212 119.950 -0.024 0.000 2.825 564 F HA 0.205 4.732 4.527 -0.000 0.000 0.322 564 F C 0.128 175.847 175.800 -0.136 0.000 1.127 564 F CA -0.898 57.077 58.000 -0.042 0.000 1.164 564 F CB -0.190 38.833 39.000 0.038 0.000 1.101 564 F HN -0.108 nan 8.300 nan 0.000 0.529 565 Y N 1.696 121.828 120.300 -0.280 0.000 2.810 565 Y HA 0.054 4.604 4.550 -0.000 0.000 0.332 565 Y C 0.430 176.178 175.900 -0.254 0.000 1.243 565 Y CA -0.488 57.331 58.100 -0.469 0.000 1.537 565 Y CB 0.413 38.505 38.460 -0.614 0.000 1.265 565 Y HN 0.184 nan 8.280 nan 0.000 0.572 566 C N 6.447 125.422 119.300 -0.541 0.000 2.347 566 C HA 0.284 4.744 4.460 -0.000 0.000 0.353 566 C C 1.576 176.438 174.990 -0.213 0.000 1.273 566 C CA 0.031 58.903 59.018 -0.243 0.000 1.861 566 C CB -0.075 27.609 27.740 -0.093 0.000 2.420 566 C HN 1.102 nan 8.230 nan 0.000 0.542 567 S N 2.752 118.466 115.700 0.024 0.000 2.355 567 S HA -0.064 4.405 4.470 -0.000 0.000 0.222 567 S C 2.034 176.661 174.600 0.044 0.000 1.031 567 S CA 1.971 60.232 58.200 0.102 0.000 0.993 567 S CB -0.240 62.998 63.200 0.062 0.000 0.859 567 S HN 1.030 nan 8.310 nan 0.000 0.453 568 E N 0.149 120.352 120.200 0.004 0.000 2.501 568 E HA 0.140 4.490 4.350 -0.000 0.000 0.203 568 E C 1.385 177.964 176.600 -0.036 0.000 1.072 568 E CA 1.090 57.482 56.400 -0.014 0.000 0.885 568 E CB -1.646 28.039 29.700 -0.025 0.000 0.813 568 E HN 0.880 nan 8.360 nan 0.000 0.556 569 G N 0.102 108.864 108.800 -0.062 0.000 2.162 569 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.260 569 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.260 569 G C 1.156 176.010 174.900 -0.075 0.000 0.976 569 G CA 0.648 45.703 45.100 -0.075 0.000 0.655 569 G HN 0.573 nan 8.290 nan 0.000 0.533 570 K N 0.281 120.633 120.400 -0.080 0.000 2.525 570 K HA 0.353 4.673 4.320 -0.000 0.000 0.192 570 K C 1.958 178.643 176.600 0.142 0.000 1.029 570 K CA 0.833 57.101 56.287 -0.030 0.000 1.029 570 K CB 0.121 32.460 32.500 -0.268 0.000 0.814 570 K HN 1.277 nan 8.250 nan 0.000 0.503 571 G N 1.059 109.863 108.800 0.007 0.000 2.979 571 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.238 571 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.238 571 G C -0.631 174.221 174.900 -0.080 0.000 1.805 571 G CA -0.231 44.903 45.100 0.057 0.000 1.389 571 G HN 0.391 nan 8.290 nan 0.000 0.517 572 V N -1.395 118.562 119.914 0.071 0.000 2.711 572 V HA 0.835 4.955 4.120 -0.000 0.000 0.304 572 V C -0.896 175.165 176.094 -0.055 0.000 1.097 572 V CA -0.162 62.135 62.300 -0.005 0.000 0.906 572 V CB 1.660 33.542 31.823 0.098 0.000 1.015 572 V HN 1.701 nan 8.190 nan 0.000 0.427 573 V N 5.546 125.412 119.914 -0.080 0.000 2.378 573 V HA 0.530 4.650 4.120 -0.000 0.000 0.288 573 V C 0.770 176.896 176.094 0.052 0.000 1.016 573 V CA 0.262 62.423 62.300 -0.232 0.000 0.840 573 V CB 1.778 33.385 31.823 -0.360 0.000 0.994 573 V HN 1.209 nan 8.190 nan 0.000 0.431 574 T N 5.529 120.076 114.554 -0.012 0.000 2.854 574 T HA 0.053 4.403 4.350 -0.000 0.000 0.336 574 T C -0.127 174.635 174.700 0.104 0.000 1.095 574 T CA 0.629 62.767 62.100 0.064 0.000 1.118 574 T CB 0.207 69.106 68.868 0.053 0.000 1.025 574 T HN 0.836 nan 8.240 nan 0.000 0.549 575 E N 1.609 121.913 120.200 0.174 0.000 2.302 575 E HA 0.288 4.638 4.350 -0.000 0.000 0.263 575 E C -1.056 175.579 176.600 0.058 0.000 0.897 575 E CA -0.580 55.861 56.400 0.069 0.000 0.809 575 E CB 0.696 30.436 29.700 0.067 0.000 1.270 575 E HN 0.719 nan 8.360 nan 0.000 0.410 576 E N 2.537 122.733 120.200 -0.006 0.000 2.293 576 E HA 0.693 5.043 4.350 -0.000 0.000 0.270 576 E C -1.207 175.365 176.600 -0.048 0.000 0.879 576 E CA -1.298 55.104 56.400 0.003 0.000 0.756 576 E CB 1.841 31.570 29.700 0.048 0.000 1.208 576 E HN 0.327 nan 8.360 nan 0.000 0.428 577 A N 3.408 126.207 122.820 -0.035 0.000 2.362 577 A HA 0.363 4.683 4.320 -0.000 0.000 0.276 577 A C -0.212 177.316 177.584 -0.093 0.000 1.153 577 A CA -0.782 51.221 52.037 -0.058 0.000 0.813 577 A CB 0.206 19.190 19.000 -0.026 0.000 1.081 577 A HN 0.473 nan 8.150 nan 0.000 0.507 578 R N 3.126 123.515 120.500 -0.186 0.000 2.790 578 R HA 0.336 4.676 4.340 -0.000 0.000 0.274 578 R C 1.050 177.259 176.300 -0.152 0.000 1.334 578 R CA 0.295 56.212 56.100 -0.305 0.000 1.543 578 R CB 0.357 30.085 30.300 -0.953 0.000 1.154 578 R HN 0.825 nan 8.270 nan 0.000 0.601 579 A N 2.098 124.892 122.820 -0.044 0.000 1.940 579 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 579 A C 1.558 179.155 177.584 0.023 0.000 1.176 579 A CA 1.867 53.910 52.037 0.009 0.000 0.631 579 A CB -0.132 18.878 19.000 0.016 0.000 0.814 579 A HN 0.593 nan 8.150 nan 0.000 0.446 580 D N -1.530 118.888 120.400 0.030 0.000 2.309 580 D HA -0.194 4.446 4.640 -0.000 0.000 0.212 580 D C 1.269 177.537 176.300 -0.053 0.000 0.968 580 D CA 0.834 54.828 54.000 -0.010 0.000 0.882 580 D CB -0.636 40.247 40.800 0.139 0.000 0.918 580 D HN 0.491 nan 8.370 nan 0.000 0.503 581 Y N 2.028 122.305 120.300 -0.038 0.000 2.497 581 Y HA -0.091 4.459 4.550 -0.000 0.000 0.292 581 Y C 2.277 178.127 175.900 -0.083 0.000 1.137 581 Y CA 0.343 58.480 58.100 0.062 0.000 1.285 581 Y CB -0.581 38.032 38.460 0.255 0.000 0.991 581 Y HN 0.237 nan 8.280 nan 0.000 0.556 582 K N 0.390 120.817 120.400 0.044 0.000 2.218 582 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 582 K C 1.746 178.190 176.600 -0.260 0.000 1.046 582 K CA 1.583 57.855 56.287 -0.025 0.000 0.933 582 K CB -0.360 32.205 32.500 0.108 0.000 0.728 582 K HN 0.207 nan 8.250 nan 0.000 0.454 583 R N -0.365 119.789 120.500 -0.577 0.000 2.235 583 R HA 0.007 4.346 4.340 -0.000 0.000 0.213 583 R C 1.813 177.712 176.300 -0.668 0.000 1.059 583 R CA 0.859 56.461 56.100 -0.830 0.000 0.997 583 R CB -0.367 28.979 30.300 -1.591 0.000 0.884 583 R HN 0.151 nan 8.270 nan 0.000 0.462 584 F N 0.151 119.636 119.950 -0.775 0.000 2.085 584 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 584 F C 1.495 177.016 175.800 -0.466 0.000 1.096 584 F CA 1.927 59.595 58.000 -0.554 0.000 1.227 584 F CB -0.121 38.138 39.000 -1.236 0.000 0.983 584 F HN -0.031 nan 8.300 nan 0.000 0.482 585 F N -2.352 117.644 119.950 0.077 0.000 2.694 585 F HA 0.149 4.676 4.527 -0.000 0.000 0.292 585 F C 1.992 177.813 175.800 0.035 0.000 1.121 585 F CA 0.075 58.089 58.000 0.024 0.000 1.352 585 F CB -0.390 38.482 39.000 -0.213 0.000 1.107 585 F HN -0.177 nan 8.300 nan 0.000 0.597 586 E N 0.025 120.288 120.200 0.105 0.000 2.276 586 E HA -0.050 4.299 4.350 -0.000 0.000 0.193 586 E C 0.723 177.376 176.600 0.088 0.000 0.983 586 E CA -0.017 56.450 56.400 0.113 0.000 0.861 586 E CB 0.205 29.955 29.700 0.084 0.000 0.817 586 E HN 0.057 nan 8.360 nan 0.000 0.485 587 Q N 2.061 121.891 119.800 0.049 0.000 2.296 587 Q HA 0.021 4.361 4.340 -0.000 0.000 0.263 587 Q C -0.883 175.215 176.000 0.163 0.000 1.026 587 Q CA 0.188 56.038 55.803 0.079 0.000 0.912 587 Q CB 0.725 29.488 28.738 0.041 0.000 1.198 587 Q HN -0.030 nan 8.270 nan 0.000 0.407 588 E N 2.618 122.908 120.200 0.151 0.000 2.344 588 E HA 0.204 4.554 4.350 -0.000 0.000 0.270 588 E C -1.067 175.647 176.600 0.191 0.000 1.021 588 E CA -0.430 56.068 56.400 0.164 0.000 0.887 588 E CB 0.674 30.462 29.700 0.146 0.000 0.997 588 E HN 0.466 nan 8.360 nan 0.000 0.429 589 V N 5.925 125.952 119.914 0.187 0.000 2.406 589 V HA 0.046 4.166 4.120 -0.000 0.000 0.272 589 V C -0.199 175.999 176.094 0.175 0.000 1.043 589 V CA -0.625 61.790 62.300 0.191 0.000 0.915 589 V CB 0.152 32.072 31.823 0.163 0.000 0.988 589 V HN 0.614 nan 8.190 nan 0.000 0.466 590 Y N 5.631 125.987 120.300 0.094 0.000 2.610 590 Y HA 0.402 4.952 4.550 -0.000 0.000 0.332 590 Y C -0.150 175.766 175.900 0.027 0.000 1.201 590 Y CA 0.337 58.479 58.100 0.069 0.000 1.465 590 Y CB 0.758 39.269 38.460 0.084 0.000 1.283 590 Y HN 0.415 nan 8.280 nan 0.000 0.563 591 V N 8.364 127.787 119.914 -0.817 0.000 2.686 591 V HA 0.340 4.460 4.120 -0.000 0.000 0.306 591 V C -2.313 173.199 176.094 -0.969 0.000 1.065 591 V CA -2.122 59.762 62.300 -0.695 0.000 0.894 591 V CB 1.920 33.583 31.823 -0.267 0.000 1.004 591 V HN 0.713 nan 8.190 nan 0.000 0.424 592 P HA 0.188 nan 4.420 nan 0.000 0.267 592 P C -0.242 176.987 177.300 -0.118 0.000 1.200 592 P CA 0.060 62.976 63.100 -0.307 0.000 0.772 592 P CB 0.463 32.125 31.700 -0.064 0.000 0.855 593 A N 2.913 125.708 122.820 -0.041 0.000 2.546 593 A HA 0.393 4.713 4.320 -0.000 0.000 0.243 593 A C 1.529 179.137 177.584 0.040 0.000 1.063 593 A CA 0.691 52.730 52.037 0.003 0.000 0.757 593 A CB -1.425 17.589 19.000 0.024 0.000 0.991 593 A HN 0.913 nan 8.150 nan 0.000 0.503 594 G N 0.631 109.451 108.800 0.033 0.000 2.153 594 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.252 594 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.252 594 G C -0.060 174.863 174.900 0.038 0.000 0.994 594 G CA 0.620 45.733 45.100 0.022 0.000 0.698 594 G HN 1.281 nan 8.290 nan 0.000 0.521 595 W N 1.705 122.939 121.300 -0.111 0.000 2.469 595 W HA 0.654 5.314 4.660 -0.000 0.000 0.320 595 W C 0.497 176.938 176.519 -0.130 0.000 1.086 595 W CA 0.095 57.359 57.345 -0.135 0.000 1.211 595 W CB 1.523 30.887 29.460 -0.161 0.000 1.298 595 W HN 0.618 nan 8.180 nan 0.000 0.525 596 S N 4.153 119.504 115.700 -0.582 0.000 2.564 596 S HA 0.973 5.443 4.470 -0.000 0.000 0.274 596 S C -0.562 173.425 174.600 -1.022 0.000 1.124 596 S CA -0.568 57.346 58.200 -0.477 0.000 0.869 596 S CB 1.875 64.910 63.200 -0.276 0.000 1.105 596 S HN 1.022 nan 8.310 nan 0.000 0.472 597 G N 0.317 108.791 108.800 -0.542 0.000 2.495 597 G HA2 0.705 4.665 3.960 -0.000 0.000 0.294 597 G HA3 0.705 4.665 3.960 -0.000 0.000 0.294 597 G C -1.019 173.822 174.900 -0.097 0.000 1.397 597 G CA -0.059 44.777 45.100 -0.440 0.000 0.790 597 G HN 1.433 nan 8.290 nan 0.000 0.486 598 T N -1.934 112.602 114.554 -0.030 0.000 2.906 598 T HA 0.715 5.065 4.350 -0.000 0.000 0.295 598 T C 0.087 174.874 174.700 0.145 0.000 1.075 598 T CA -0.892 61.240 62.100 0.054 0.000 1.005 598 T CB 1.810 70.692 68.868 0.023 0.000 1.136 598 T HN 0.483 nan 8.240 nan 0.000 0.498 599 M N 1.482 121.139 119.600 0.095 0.000 2.291 599 M HA 0.310 4.790 4.480 -0.000 0.000 0.324 599 M C -1.677 174.528 176.300 -0.157 0.000 1.148 599 M CA -2.605 52.696 55.300 0.001 0.000 1.104 599 M CB 0.444 33.003 32.600 -0.069 0.000 1.483 599 M HN 0.425 nan 8.290 nan 0.000 0.467 600 P HA -0.186 nan 4.420 nan 0.000 0.216 600 P C 0.846 177.986 177.300 -0.268 0.000 1.154 600 P CA 1.552 64.307 63.100 -0.574 0.000 0.865 600 P CB -0.123 30.978 31.700 -0.997 0.000 0.789 601 N N -1.010 117.504 118.700 -0.309 0.000 2.521 601 N HA -0.010 4.730 4.740 -0.000 0.000 0.188 601 N C 1.175 176.593 175.510 -0.153 0.000 1.146 601 N CA 1.265 54.169 53.050 -0.243 0.000 0.893 601 N CB -0.970 37.321 38.487 -0.327 0.000 0.975 601 N HN 0.225 nan 8.380 nan 0.000 0.451 602 G N -0.184 108.551 108.800 -0.109 0.000 2.141 602 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.231 602 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.231 602 G C -0.948 173.917 174.900 -0.058 0.000 0.984 602 G CA 0.001 45.062 45.100 -0.064 0.000 0.660 602 G HN 0.442 nan 8.290 nan 0.000 0.525 603 D N 1.125 121.482 120.400 -0.072 0.000 2.390 603 D HA 0.350 4.990 4.640 -0.000 0.000 0.249 603 D C 0.739 177.041 176.300 0.003 0.000 1.144 603 D CA 0.418 54.394 54.000 -0.040 0.000 0.880 603 D CB 0.859 41.627 40.800 -0.054 0.000 1.182 603 D HN 0.334 nan 8.370 nan 0.000 0.451 604 K N 1.929 122.338 120.400 0.015 0.000 2.205 604 K HA 0.391 4.711 4.320 -0.000 0.000 0.279 604 K C 0.011 176.654 176.600 0.072 0.000 1.027 604 K CA -0.474 55.832 56.287 0.031 0.000 0.932 604 K CB 1.180 33.688 32.500 0.014 0.000 1.032 604 K HN 0.310 nan 8.250 nan 0.000 0.466 605 I N 4.616 125.256 120.570 0.118 0.000 2.347 605 I HA 0.072 4.242 4.170 -0.000 0.000 0.283 605 I C -0.012 176.237 176.117 0.219 0.000 1.058 605 I CA -0.255 61.165 61.300 0.199 0.000 1.202 605 I CB 0.486 38.695 38.000 0.349 0.000 1.386 605 I HN 0.542 nan 8.210 nan 0.000 0.475 606 Q N 6.398 126.278 119.800 0.132 0.000 2.456 606 Q HA 0.612 4.951 4.340 -0.000 0.000 0.284 606 Q C -2.999 173.032 176.000 0.051 0.000 1.061 606 Q CA -2.376 53.486 55.803 0.099 0.000 0.799 606 Q CB 2.257 31.026 28.738 0.052 0.000 1.445 606 Q HN 0.089 nan 8.270 nan 0.000 0.411 607 P HA 0.072 nan 4.420 nan 0.000 0.262 607 P C 0.487 177.795 177.300 0.013 0.000 1.182 607 P CA 1.945 65.026 63.100 -0.031 0.000 0.761 607 P CB 0.325 31.999 31.700 -0.043 0.000 0.795 608 G N 2.251 111.068 108.800 0.027 0.000 2.201 608 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.212 608 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.212 608 G C 0.303 175.251 174.900 0.080 0.000 0.994 608 G CA 0.040 45.176 45.100 0.059 0.000 0.644 608 G HN 0.657 nan 8.290 nan 0.000 0.508 609 I N -1.083 119.534 120.570 0.078 0.000 3.161 609 I HA 0.530 4.700 4.170 -0.000 0.000 0.284 609 I C 0.337 176.534 176.117 0.133 0.000 1.252 609 I CA -0.087 61.272 61.300 0.099 0.000 1.374 609 I CB 0.384 38.438 38.000 0.090 0.000 1.359 609 I HN -0.134 nan 8.210 nan 0.000 0.606 610 K N 2.623 123.117 120.400 0.156 0.000 2.350 610 K HA 0.283 4.603 4.320 -0.000 0.000 0.241 610 K C 0.176 176.918 176.600 0.238 0.000 0.994 610 K CA -0.799 55.613 56.287 0.208 0.000 0.839 610 K CB 1.594 34.232 32.500 0.230 0.000 1.244 610 K HN 0.716 nan 8.250 nan 0.000 0.443 611 F N 1.222 121.261 119.950 0.150 0.000 2.063 611 F HA -0.340 4.187 4.527 -0.000 0.000 0.297 611 F C 1.945 177.857 175.800 0.187 0.000 1.099 611 F CA 1.938 60.032 58.000 0.157 0.000 1.220 611 F CB -0.061 39.039 39.000 0.167 0.000 0.972 611 F HN 0.542 nan 8.300 nan 0.000 0.487 612 I N 0.665 121.420 120.570 0.307 0.000 2.493 612 I HA -0.249 3.921 4.170 -0.000 0.000 0.254 612 I C 1.897 178.110 176.117 0.160 0.000 1.160 612 I CA 1.471 62.955 61.300 0.306 0.000 1.445 612 I CB -0.829 37.449 38.000 0.463 0.000 1.086 612 I HN 0.169 nan 8.210 nan 0.000 0.433 613 D N 0.752 121.230 120.400 0.130 0.000 2.084 613 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 613 D C 2.092 178.410 176.300 0.030 0.000 0.990 613 D CA 2.172 56.224 54.000 0.086 0.000 0.826 613 D CB -0.420 40.438 40.800 0.096 0.000 0.971 613 D HN 0.563 nan 8.370 nan 0.000 0.453 614 I N -1.717 118.860 120.570 0.012 0.000 3.444 614 I HA 0.047 4.217 4.170 -0.000 0.000 0.287 614 I C 0.388 176.464 176.117 -0.068 0.000 1.302 614 I CA 0.548 61.846 61.300 -0.005 0.000 1.368 614 I CB -0.061 37.965 38.000 0.042 0.000 1.048 614 I HN -0.253 nan 8.210 nan 0.000 0.487 615 R N 0.494 120.943 120.500 -0.085 0.000 2.834 615 R HA 0.271 4.611 4.340 -0.000 0.000 0.362 615 R C 0.882 177.144 176.300 -0.064 0.000 1.147 615 R CA -0.140 55.880 56.100 -0.133 0.000 1.125 615 R CB 0.419 30.677 30.300 -0.069 0.000 1.361 615 R HN 0.157 nan 8.270 nan 0.000 0.598 616 T N 1.455 115.932 114.554 -0.128 0.000 2.624 616 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 616 T C 1.361 175.981 174.700 -0.134 0.000 1.041 616 T CA 1.452 63.487 62.100 -0.109 0.000 1.159 616 T CB 0.004 68.787 68.868 -0.142 0.000 0.863 616 T HN 0.357 nan 8.240 nan 0.000 0.434 617 K N 0.079 120.299 120.400 -0.299 0.000 2.589 617 K HA -0.100 4.220 4.320 -0.000 0.000 0.195 617 K C 1.498 178.142 176.600 0.073 0.000 1.042 617 K CA 0.627 56.741 56.287 -0.288 0.000 0.940 617 K CB -0.168 31.900 32.500 -0.720 0.000 0.776 617 K HN 0.382 nan 8.250 nan 0.000 0.487 618 Y N 1.022 121.380 120.300 0.096 0.000 2.420 618 Y HA 0.019 4.569 4.550 -0.000 0.000 0.292 618 Y C 1.738 177.608 175.900 -0.051 0.000 1.119 618 Y CA 0.355 58.607 58.100 0.255 0.000 1.229 618 Y CB 0.080 38.795 38.460 0.425 0.000 1.026 618 Y HN -0.058 nan 8.280 nan 0.000 0.554 619 R N -0.536 119.806 120.500 -0.262 0.000 2.241 619 R HA -0.151 4.189 4.340 -0.000 0.000 0.224 619 R C 1.186 177.252 176.300 -0.391 0.000 1.101 619 R CA 0.895 56.457 56.100 -0.897 0.000 0.995 619 R CB -0.060 29.809 30.300 -0.719 0.000 0.870 619 R HN 0.174 nan 8.270 nan 0.000 0.463 620 Q N 0.225 119.957 119.800 -0.114 0.000 2.280 620 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 620 Q C -0.582 175.465 176.000 0.078 0.000 0.903 620 Q CA 0.223 56.014 55.803 -0.020 0.000 0.948 620 Q CB 0.385 29.115 28.738 -0.013 0.000 1.058 620 Q HN 0.158 nan 8.270 nan 0.000 0.493 621 D N 0.290 120.784 120.400 0.157 0.000 2.304 621 D HA 0.029 4.669 4.640 -0.000 0.000 0.250 621 D C -1.524 174.878 176.300 0.170 0.000 1.107 621 D CA -1.743 52.397 54.000 0.233 0.000 0.885 621 D CB 1.514 42.534 40.800 0.366 0.000 1.192 621 D HN 0.022 nan 8.370 nan 0.000 0.436 622 P HA -0.147 nan 4.420 nan 0.000 0.223 622 P C 0.295 177.463 177.300 -0.219 0.000 1.144 622 P CA 1.118 64.201 63.100 -0.028 0.000 0.783 622 P CB 0.036 31.738 31.700 0.003 0.000 0.771 623 Y N -3.672 116.675 120.300 0.078 0.000 2.557 623 Y HA 0.175 4.725 4.550 -0.000 0.000 0.247 623 Y C 2.125 178.059 175.900 0.057 0.000 1.164 623 Y CA -0.745 57.388 58.100 0.054 0.000 1.218 623 Y CB -0.544 37.933 38.460 0.029 0.000 1.210 623 Y HN -0.161 nan 8.280 nan 0.000 0.529 624 Y N 1.080 121.413 120.300 0.054 0.000 2.181 624 Y HA -0.248 4.302 4.550 -0.000 0.000 0.288 624 Y C 1.817 177.762 175.900 0.074 0.000 1.146 624 Y CA 1.822 59.923 58.100 0.001 0.000 1.164 624 Y CB -0.050 38.416 38.460 0.011 0.000 0.982 624 Y HN 0.048 nan 8.280 nan 0.000 0.515 625 D N 0.493 120.993 120.400 0.166 0.000 2.088 625 D HA -0.251 4.389 4.640 -0.000 0.000 0.191 625 D C 2.354 178.675 176.300 0.035 0.000 0.992 625 D CA 2.186 56.250 54.000 0.106 0.000 0.831 625 D CB -0.563 40.288 40.800 0.084 0.000 0.973 625 D HN 0.433 nan 8.370 nan 0.000 0.447 626 I N 0.613 121.200 120.570 0.029 0.000 2.181 626 I HA -0.311 3.859 4.170 -0.000 0.000 0.247 626 I C 2.437 178.588 176.117 0.056 0.000 1.081 626 I CA 0.954 62.281 61.300 0.045 0.000 1.340 626 I CB -0.497 37.562 38.000 0.098 0.000 1.036 626 I HN -0.048 nan 8.210 nan 0.000 0.417 627 V N -0.069 119.875 119.914 0.050 0.000 2.270 627 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 627 V C 2.283 178.456 176.094 0.131 0.000 1.043 627 V CA 1.897 64.246 62.300 0.082 0.000 1.014 627 V CB -0.883 30.914 31.823 -0.043 0.000 0.645 627 V HN 0.327 nan 8.190 nan 0.000 0.447 628 Y N 1.671 121.856 120.300 -0.191 0.000 2.145 628 Y HA -0.271 4.279 4.550 -0.000 0.000 0.286 628 Y C 2.740 178.569 175.900 -0.118 0.000 1.145 628 Y CA 2.387 60.306 58.100 -0.302 0.000 1.148 628 Y CB -1.009 37.105 38.460 -0.577 0.000 0.981 628 Y HN 0.305 nan 8.280 nan 0.000 0.507 629 Q N 0.298 120.031 119.800 -0.112 0.000 2.002 629 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 629 Q C 2.561 178.477 176.000 -0.141 0.000 0.988 629 Q CA 2.546 58.248 55.803 -0.168 0.000 0.843 629 Q CB -1.767 26.930 28.738 -0.068 0.000 0.908 629 Q HN 0.664 nan 8.270 nan 0.000 0.420 630 A N -0.617 122.177 122.820 -0.043 0.000 1.986 630 A HA -0.145 4.174 4.320 -0.000 0.000 0.220 630 A C 2.167 179.754 177.584 0.004 0.000 1.171 630 A CA 1.972 54.002 52.037 -0.011 0.000 0.640 630 A CB -0.783 18.238 19.000 0.036 0.000 0.811 630 A HN 0.914 nan 8.150 nan 0.000 0.451 631 Y N 0.451 120.688 120.300 -0.104 0.000 2.220 631 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 631 Y C 1.806 177.578 175.900 -0.213 0.000 1.129 631 Y CA 1.626 59.663 58.100 -0.106 0.000 1.161 631 Y CB -0.376 38.066 38.460 -0.030 0.000 0.997 631 Y HN 0.209 nan 8.280 nan 0.000 0.522 632 L N 0.089 120.934 121.223 -0.631 0.000 2.083 632 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 632 L C 2.551 179.172 176.870 -0.415 0.000 1.083 632 L CA 1.507 55.953 54.840 -0.656 0.000 0.752 632 L CB -0.596 41.131 42.059 -0.553 0.000 0.899 632 L HN 0.084 nan 8.230 nan 0.000 0.433 633 R N 0.159 120.490 120.500 -0.282 0.000 2.152 633 R HA -0.066 4.273 4.340 -0.000 0.000 0.232 633 R C 1.426 177.629 176.300 -0.162 0.000 1.117 633 R CA 0.909 56.902 56.100 -0.180 0.000 0.981 633 R CB -0.335 29.894 30.300 -0.118 0.000 0.870 633 R HN 0.547 nan 8.270 nan 0.000 0.451 634 G N -0.922 107.764 108.800 -0.190 0.000 2.131 634 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.223 634 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.223 634 G C -0.040 174.839 174.900 -0.035 0.000 0.990 634 G CA 0.415 45.443 45.100 -0.120 0.000 0.671 634 G HN 0.600 nan 8.290 nan 0.000 0.521 635 E N -0.851 119.340 120.200 -0.016 0.000 2.664 635 E HA 1.007 5.357 4.350 -0.000 0.000 0.245 635 E C 0.175 176.808 176.600 0.054 0.000 1.016 635 E CA -0.049 56.357 56.400 0.011 0.000 0.963 635 E CB 0.885 30.580 29.700 -0.009 0.000 1.360 635 E HN 2.039 nan 8.360 nan 0.000 0.472 636 A N 0.709 123.551 122.820 0.036 0.000 2.356 636 A HA 0.709 5.029 4.320 -0.000 0.000 0.310 636 A C -2.635 174.960 177.584 0.018 0.000 1.075 636 A CA -1.401 50.660 52.037 0.039 0.000 0.746 636 A CB 0.723 19.731 19.000 0.014 0.000 1.221 636 A HN 0.453 nan 8.150 nan 0.000 0.443 637 P HA 0.154 nan 4.420 nan 0.000 0.265 637 P C -0.032 177.252 177.300 -0.027 0.000 1.187 637 P CA -0.010 63.101 63.100 0.019 0.000 0.766 637 P CB 0.527 32.263 31.700 0.059 0.000 0.820 638 V N 3.033 122.938 119.914 -0.016 0.000 2.443 638 V HA 0.065 4.185 4.120 -0.000 0.000 0.326 638 V C 0.475 176.537 176.094 -0.053 0.000 1.580 638 V CA -0.369 61.910 62.300 -0.034 0.000 1.629 638 V CB -1.611 30.200 31.823 -0.020 0.000 1.471 638 V HN 0.313 nan 8.190 nan 0.000 0.532 639 L N -0.735 120.417 121.223 -0.119 0.000 2.431 639 L HA 0.750 5.090 4.340 -0.000 0.000 0.260 639 L C 0.008 176.643 176.870 -0.391 0.000 1.098 639 L CA -0.232 54.455 54.840 -0.255 0.000 0.800 639 L CB 0.352 42.211 42.059 -0.334 0.000 1.210 639 L HN 0.130 nan 8.230 nan 0.000 0.465 640 N N -0.812 117.550 118.700 -0.563 0.000 2.357 640 N HA 0.555 5.295 4.740 -0.000 0.000 0.284 640 N C -1.577 173.557 175.510 -0.626 0.000 1.236 640 N CA -0.289 52.484 53.050 -0.461 0.000 0.774 640 N CB 2.069 40.415 38.487 -0.235 0.000 1.534 640 N HN 0.735 nan 8.380 nan 0.000 0.478 641 Y N -0.696 119.457 120.300 -0.245 0.000 2.615 641 Y HA 0.346 4.896 4.550 -0.000 0.000 0.341 641 Y C -0.660 174.949 175.900 -0.485 0.000 1.089 641 Y CA -0.859 57.093 58.100 -0.245 0.000 1.049 641 Y CB 2.136 40.476 38.460 -0.200 0.000 1.296 641 Y HN 0.519 nan 8.280 nan 0.000 0.470 642 H N -0.077 119.055 119.070 0.103 0.000 2.596 642 H HA 0.314 4.870 4.556 -0.000 0.000 0.240 642 H C -1.080 174.251 175.328 0.006 0.000 1.406 642 H CA -0.947 55.141 56.048 0.066 0.000 1.504 642 H CB 0.432 30.240 29.762 0.077 0.000 1.688 642 H HN 0.285 nan 8.280 nan 0.000 0.546 643 R N 0.888 121.265 120.500 -0.204 0.000 2.489 643 R HA 0.022 4.362 4.340 -0.000 0.000 0.287 643 R C 0.629 176.784 176.300 -0.241 0.000 1.053 643 R CA -0.209 55.635 56.100 -0.426 0.000 1.036 643 R CB 0.531 30.213 30.300 -1.030 0.000 0.966 643 R HN 0.433 nan 8.270 nan 0.000 0.432 644 F N 4.512 124.308 119.950 -0.256 0.000 2.091 644 F HA -0.291 4.236 4.527 -0.000 0.000 0.299 644 F C 1.905 177.568 175.800 -0.229 0.000 1.103 644 F CA 1.731 59.578 58.000 -0.257 0.000 1.228 644 F CB -0.084 38.769 39.000 -0.244 0.000 0.984 644 F HN 0.717 nan 8.300 nan 0.000 0.477 645 W N 0.074 121.205 121.300 -0.282 0.000 2.402 645 W HA -0.161 4.499 4.660 -0.000 0.000 0.286 645 W C 1.941 178.252 176.519 -0.347 0.000 1.221 645 W CA 1.437 58.454 57.345 -0.547 0.000 1.257 645 W CB -1.647 27.455 29.460 -0.598 0.000 1.120 645 W HN 0.227 nan 8.180 nan 0.000 0.551 646 H N 1.054 119.624 119.070 -0.834 0.000 2.319 646 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 646 H C 2.294 177.417 175.328 -0.342 0.000 1.092 646 H CA 1.768 57.423 56.048 -0.654 0.000 1.302 646 H CB 0.077 29.454 29.762 -0.642 0.000 1.373 646 H HN 0.109 nan 8.280 nan 0.000 0.497 647 E N 0.602 120.660 120.200 -0.238 0.000 2.058 647 E HA -0.125 4.224 4.350 -0.000 0.000 0.194 647 E C 2.546 178.983 176.600 -0.272 0.000 0.997 647 E CA 0.814 57.057 56.400 -0.262 0.000 0.801 647 E CB -0.338 29.079 29.700 -0.472 0.000 0.746 647 E HN 0.275 nan 8.360 nan 0.000 0.450 648 V N 2.094 121.771 119.914 -0.396 0.000 2.270 648 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 648 V C 2.125 178.183 176.094 -0.061 0.000 1.043 648 V CA 1.869 64.034 62.300 -0.224 0.000 1.014 648 V CB -0.500 31.218 31.823 -0.175 0.000 0.645 648 V HN 0.107 nan 8.190 nan 0.000 0.447 649 D N -0.129 120.272 120.400 0.002 0.000 2.158 649 D HA -0.168 4.472 4.640 -0.000 0.000 0.197 649 D C 1.992 178.322 176.300 0.051 0.000 0.995 649 D CA 1.299 55.379 54.000 0.133 0.000 0.846 649 D CB -0.101 40.932 40.800 0.389 0.000 0.941 649 D HN 0.313 nan 8.370 nan 0.000 0.456 650 L N 0.896 122.135 121.223 0.026 0.000 2.005 650 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 650 L C 2.242 179.132 176.870 0.035 0.000 1.072 650 L CA 2.050 56.913 54.840 0.038 0.000 0.744 650 L CB -1.003 41.093 42.059 0.063 0.000 0.895 650 L HN -0.032 nan 8.230 nan 0.000 0.433 651 A N -1.002 121.836 122.820 0.030 0.000 1.892 651 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 651 A C 2.275 179.974 177.584 0.191 0.000 1.188 651 A CA 2.318 54.435 52.037 0.133 0.000 0.631 651 A CB -1.273 17.785 19.000 0.096 0.000 0.822 651 A HN 0.323 nan 8.150 nan 0.000 0.447 652 V N -0.254 119.656 119.914 -0.008 0.000 2.490 652 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 652 V C 2.987 178.983 176.094 -0.163 0.000 1.061 652 V CA 1.871 64.037 62.300 -0.223 0.000 1.064 652 V CB -1.166 30.248 31.823 -0.683 0.000 0.670 652 V HN 0.644 nan 8.190 nan 0.000 0.461 653 A N -0.633 122.141 122.820 -0.077 0.000 1.898 653 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 653 A C 2.228 179.773 177.584 -0.066 0.000 1.181 653 A CA 1.968 53.980 52.037 -0.042 0.000 0.620 653 A CB -0.435 18.564 19.000 -0.001 0.000 0.819 653 A HN 0.479 nan 8.150 nan 0.000 0.442 654 M N -0.421 119.163 119.600 -0.027 0.000 2.080 654 M HA -0.138 4.342 4.480 -0.000 0.000 0.260 654 M C 2.324 178.601 176.300 -0.039 0.000 1.068 654 M CA 1.595 56.897 55.300 0.004 0.000 1.109 654 M CB -0.708 31.959 32.600 0.112 0.000 1.342 654 M HN 0.508 nan 8.290 nan 0.000 0.405 655 G N -0.234 108.481 108.800 -0.142 0.000 2.446 655 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 655 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 655 G C 1.468 176.199 174.900 -0.283 0.000 1.168 655 G CA 1.144 45.999 45.100 -0.408 0.000 0.771 655 G HN 0.331 nan 8.290 nan 0.000 0.551 656 V N 0.676 120.499 119.914 -0.151 0.000 2.287 656 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 656 V C 2.873 179.015 176.094 0.079 0.000 1.053 656 V CA 1.312 63.616 62.300 0.006 0.000 1.027 656 V CB -0.467 31.415 31.823 0.098 0.000 0.646 656 V HN 0.218 nan 8.190 nan 0.000 0.447 657 L N 0.405 121.643 121.223 0.024 0.000 2.042 657 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 657 L C 2.636 179.556 176.870 0.084 0.000 1.076 657 L CA 2.412 57.291 54.840 0.064 0.000 0.749 657 L CB -1.662 40.217 42.059 -0.301 0.000 0.893 657 L HN 0.340 nan 8.230 nan 0.000 0.432 658 A N -1.777 121.039 122.820 -0.006 0.000 1.933 658 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 658 A C 2.333 179.810 177.584 -0.178 0.000 1.175 658 A CA 2.280 54.289 52.037 -0.045 0.000 0.628 658 A CB -0.826 18.105 19.000 -0.114 0.000 0.814 658 A HN 0.460 nan 8.150 nan 0.000 0.444 659 T N -1.634 112.728 114.554 -0.319 0.000 2.809 659 T HA -0.045 4.305 4.350 -0.000 0.000 0.260 659 T C 1.588 175.896 174.700 -0.653 0.000 1.039 659 T CA 1.699 63.454 62.100 -0.576 0.000 1.141 659 T CB -0.347 68.028 68.868 -0.821 0.000 0.869 659 T HN 0.616 nan 8.240 nan 0.000 0.437 660 Y N -0.799 119.357 120.300 -0.241 0.000 2.509 660 Y HA 0.368 4.918 4.550 -0.000 0.000 0.270 660 Y C 0.321 175.699 175.900 -0.869 0.000 1.103 660 Y CA -0.311 57.472 58.100 -0.530 0.000 1.278 660 Y CB 0.354 38.450 38.460 -0.608 0.000 1.087 660 Y HN 0.092 nan 8.280 nan 0.000 0.542 661 F N 0.865 120.860 119.950 0.075 0.000 2.531 661 F HA 0.382 4.909 4.527 -0.000 0.000 0.333 661 F C -2.133 173.695 175.800 0.048 0.000 1.292 661 F CA -2.718 55.317 58.000 0.058 0.000 1.184 661 F CB 0.816 39.852 39.000 0.061 0.000 1.426 661 F HN -0.136 nan 8.300 nan 0.000 0.559 662 P HA -0.048 nan 4.420 nan 0.000 0.225 662 P C 0.752 178.100 177.300 0.080 0.000 1.156 662 P CA 1.090 64.219 63.100 0.049 0.000 0.787 662 P CB 0.433 32.113 31.700 -0.034 0.000 0.802 663 D N -1.088 119.373 120.400 0.103 0.000 2.347 663 D HA 0.050 4.690 4.640 -0.000 0.000 0.215 663 D C 1.127 177.491 176.300 0.108 0.000 0.976 663 D CA 0.542 54.594 54.000 0.086 0.000 0.884 663 D CB -0.244 40.602 40.800 0.077 0.000 0.915 663 D HN 0.246 nan 8.370 nan 0.000 0.526 664 M N -0.128 119.584 119.600 0.186 0.000 2.228 664 M HA 0.174 4.654 4.480 -0.000 0.000 0.326 664 M C 0.134 176.537 176.300 0.171 0.000 1.122 664 M CA 0.634 56.072 55.300 0.230 0.000 1.161 664 M CB 1.235 34.040 32.600 0.342 0.000 1.437 664 M HN -0.308 nan 8.290 nan 0.000 0.465 665 T N 1.140 115.730 114.554 0.059 0.000 3.172 665 T HA 0.240 4.590 4.350 -0.000 0.000 0.320 665 T C -1.329 173.200 174.700 -0.284 0.000 1.085 665 T CA -0.562 61.412 62.100 -0.210 0.000 1.052 665 T CB 0.596 69.422 68.868 -0.071 0.000 1.107 665 T HN 0.478 nan 8.240 nan 0.000 0.458 666 Y N 3.291 123.164 120.300 -0.712 0.000 2.890 666 Y HA 0.345 4.895 4.550 -0.000 0.000 0.341 666 Y C 0.124 175.955 175.900 -0.114 0.000 1.269 666 Y CA 0.788 58.685 58.100 -0.338 0.000 1.517 666 Y CB 0.206 38.489 38.460 -0.294 0.000 1.314 666 Y HN 0.701 nan 8.280 nan 0.000 0.622 667 K N 5.601 125.470 120.400 -0.886 0.000 2.525 667 K HA 0.603 4.923 4.320 -0.000 0.000 0.254 667 K C -1.576 174.453 176.600 -0.951 0.000 0.934 667 K CA -0.328 55.569 56.287 -0.650 0.000 0.802 667 K CB 0.965 33.280 32.500 -0.309 0.000 1.295 667 K HN 0.990 nan 8.250 nan 0.000 0.433 668 V N 5.213 124.752 119.914 -0.625 0.000 2.458 668 V HA 0.333 4.453 4.120 -0.000 0.000 0.287 668 V C -1.678 174.100 176.094 -0.527 0.000 1.009 668 V CA -0.917 61.040 62.300 -0.571 0.000 1.091 668 V CB 0.464 32.095 31.823 -0.320 0.000 0.960 668 V HN 0.925 nan 8.190 nan 0.000 0.476 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.914 63.100 -0.310 0.000 0.800 669 P CB 0.000 31.602 31.700 -0.163 0.000 0.726