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 2zj8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVDELRVDE RIKSTLKERG IESFYPPQAE ALKSGILEGK NALISIPTAS DATA SEQUENCE GKTLIAEIAM VHRILTQGGK AVYIVPLKAL AEEKFQEFQD WEKIGLRVAM DATA SEQUENCE ATGDYDSKDE WLGKYDIIIA TAEKFDSLLR HGSSWIKDVK ILVADEIHLI DATA SEQUENCE GSRDRGATLE VILAHMLGKA QIIGLSATIG NPEELAEWLN AELIVSDWRP DATA SEQUENCE VKLRRGVFYQ GFVTWEDGSI DRFSSWEELV YDAIRKKKGA LIFVNMRRKA DATA SEQUENCE ERVALELSKK VKSLLTKPEI RALNELADSL EENPTNEKLA KAIRGGVAFH DATA SEQUENCE HAGLGRDERV LVEENFRKGI IKAVVATPTL SAGINTPAFR VIIRDIWRYS DATA SEQUENCE DFGMERIPII EVHQMLGRAG RPKYDEVGEG IIVSTSDDPR EVMNHYIFGK DATA SEQUENCE PEKLFSQLSN ESNLRSQVLA LIATFGYSTV EEILKFISNT FYAYQRKDTY DATA SEQUENCE SLEEKIRNIL YFLLENEFIE ISLEDKIRPL SLGIRTAKLY IDPYTAKMFK DATA SEQUENCE DKMEEVVKDP NPIGIFHLIS LTPDITPFNY SKREFERLEE EYYEFKDRLY DATA SEQUENCE FDDPYISGYD PYLERKFFRA FKTALVLLAW INEVPEGEIV EKYSVEPGDI DATA SEQUENCE YRIVETAEWL VYSLKEIAKV LGAYEIVDYL ETLRVRVKYG IREELIPLMQ DATA SEQUENCE LPLVGRRRAR ALYNSGFRSI EDISQARPEE LLKIEGIGVK TVEAIFKFLG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.342 55.300 0.070 0.000 0.988 1 M CB 0.000 32.668 32.600 0.114 0.000 1.302 2 R N 0.853 121.348 120.500 -0.008 0.000 2.549 2 R HA 0.783 5.129 4.340 0.010 0.000 0.267 2 R C 0.560 176.823 176.300 -0.061 0.000 1.045 2 R CA 0.010 56.034 56.100 -0.125 0.000 1.115 2 R CB 0.248 30.492 30.300 -0.094 0.000 1.121 2 R HN 0.741 nan 8.270 nan 0.000 0.543 3 V N 0.953 120.746 119.914 -0.202 0.000 2.392 3 V HA -0.222 3.904 4.120 0.010 0.000 0.249 3 V C 1.322 177.454 176.094 0.063 0.000 1.059 3 V CA 2.170 64.461 62.300 -0.016 0.000 1.051 3 V CB -0.294 31.467 31.823 -0.104 0.000 0.658 3 V HN 0.882 nan 8.190 nan 0.000 0.455 4 D N -0.313 120.090 120.400 0.006 0.000 2.378 4 D HA -0.074 4.572 4.640 0.010 0.000 0.227 4 D C 1.850 178.163 176.300 0.022 0.000 1.012 4 D CA 0.541 54.549 54.000 0.012 0.000 0.905 4 D CB -0.005 40.790 40.800 -0.008 0.000 0.895 4 D HN 0.595 nan 8.370 nan 0.000 0.532 5 E N -0.220 120.005 120.200 0.041 0.000 2.474 5 E HA 0.032 4.388 4.350 0.010 0.000 0.194 5 E C 0.260 176.879 176.600 0.032 0.000 1.041 5 E CA -0.357 56.062 56.400 0.032 0.000 0.874 5 E CB 0.552 30.275 29.700 0.038 0.000 0.914 5 E HN 0.048 nan 8.360 nan 0.000 0.498 6 L N 1.568 122.826 121.223 0.059 0.000 2.360 6 L HA 0.139 4.485 4.340 0.010 0.000 0.276 6 L C 0.632 177.481 176.870 -0.035 0.000 1.121 6 L CA 0.600 55.450 54.840 0.017 0.000 0.845 6 L CB 0.501 42.610 42.059 0.084 0.000 1.143 6 L HN -0.090 nan 8.230 nan 0.000 0.452 7 R N 5.516 125.962 120.500 -0.089 0.000 3.657 7 R HA 0.568 4.914 4.340 0.010 0.000 0.220 7 R C -0.619 175.568 176.300 -0.188 0.000 1.548 7 R CA 0.329 56.373 56.100 -0.094 0.000 1.465 7 R CB -0.930 29.325 30.300 -0.075 0.000 1.330 7 R HN 0.634 nan 8.270 nan 0.000 0.707 8 V N -2.775 117.051 119.914 -0.148 0.000 3.141 8 V HA 0.558 4.684 4.120 0.010 0.000 0.312 8 V C -0.313 175.814 176.094 0.054 0.000 1.157 8 V CA -1.411 60.784 62.300 -0.174 0.000 1.041 8 V CB 2.293 33.977 31.823 -0.231 0.000 1.071 8 V HN 0.490 nan 8.190 nan 0.000 0.441 9 D N 0.917 121.425 120.400 0.181 0.000 2.487 9 D HA -0.045 4.601 4.640 0.010 0.000 0.243 9 D C 0.968 177.319 176.300 0.086 0.000 1.154 9 D CA 0.585 54.656 54.000 0.117 0.000 0.876 9 D CB 1.637 42.500 40.800 0.104 0.000 1.161 9 D HN 0.854 nan 8.370 nan 0.000 0.478 10 E N 3.483 123.722 120.200 0.064 0.000 2.284 10 E HA -0.217 4.139 4.350 0.010 0.000 0.200 10 E C 1.737 178.379 176.600 0.070 0.000 1.008 10 E CA 1.272 57.705 56.400 0.056 0.000 0.829 10 E CB 0.093 29.816 29.700 0.039 0.000 0.744 10 E HN 0.469 nan 8.360 nan 0.000 0.491 11 R N -0.708 119.843 120.500 0.084 0.000 2.235 11 R HA 0.058 4.404 4.340 0.010 0.000 0.213 11 R C 2.022 178.430 176.300 0.181 0.000 1.059 11 R CA 0.831 56.996 56.100 0.108 0.000 0.997 11 R CB -0.039 30.323 30.300 0.102 0.000 0.884 11 R HN 0.296 nan 8.270 nan 0.000 0.462 12 I N 0.355 121.040 120.570 0.192 0.000 2.339 12 I HA -0.194 3.982 4.170 0.010 0.000 0.245 12 I C 1.892 178.140 176.117 0.218 0.000 1.096 12 I CA 1.075 62.553 61.300 0.296 0.000 1.408 12 I CB -0.087 38.028 38.000 0.191 0.000 1.092 12 I HN 0.029 nan 8.210 nan 0.000 0.423 13 K N 0.683 121.163 120.400 0.133 0.000 2.044 13 K HA -0.168 4.158 4.320 0.010 0.000 0.210 13 K C 2.273 178.904 176.600 0.052 0.000 1.049 13 K CA 1.891 58.231 56.287 0.087 0.000 0.927 13 K CB -0.215 32.320 32.500 0.057 0.000 0.713 13 K HN 0.161 nan 8.250 nan 0.000 0.443 14 S N 0.267 115.996 115.700 0.048 0.000 2.368 14 S HA -0.137 4.339 4.470 0.010 0.000 0.225 14 S C 2.010 176.599 174.600 -0.018 0.000 1.030 14 S CA 1.760 59.968 58.200 0.013 0.000 0.999 14 S CB -0.364 62.846 63.200 0.017 0.000 0.844 14 S HN 0.364 nan 8.310 nan 0.000 0.459 15 T N 2.979 117.526 114.554 -0.012 0.000 2.746 15 T HA 0.036 4.392 4.350 0.010 0.000 0.267 15 T C 1.767 176.382 174.700 -0.142 0.000 1.039 15 T CA 0.939 62.952 62.100 -0.145 0.000 1.142 15 T CB -0.431 68.243 68.868 -0.324 0.000 0.866 15 T HN 0.240 nan 8.240 nan 0.000 0.444 16 L N 0.502 121.705 121.223 -0.033 0.000 1.994 16 L HA -0.138 4.208 4.340 0.010 0.000 0.208 16 L C 2.696 179.527 176.870 -0.065 0.000 1.071 16 L CA 1.591 56.419 54.840 -0.020 0.000 0.745 16 L CB -0.532 41.564 42.059 0.061 0.000 0.892 16 L HN 0.237 nan 8.230 nan 0.000 0.431 17 K N 0.200 120.565 120.400 -0.058 0.000 2.063 17 K HA -0.215 4.111 4.320 0.010 0.000 0.208 17 K C 2.311 178.866 176.600 -0.074 0.000 1.048 17 K CA 1.876 58.120 56.287 -0.071 0.000 0.928 17 K CB -0.394 32.074 32.500 -0.054 0.000 0.713 17 K HN 0.421 nan 8.250 nan 0.000 0.442 18 E N 1.694 121.847 120.200 -0.077 0.000 2.267 18 E HA -0.188 4.168 4.350 0.010 0.000 0.197 18 E C 1.773 178.317 176.600 -0.094 0.000 0.998 18 E CA 1.313 57.663 56.400 -0.084 0.000 0.830 18 E CB -0.572 29.071 29.700 -0.095 0.000 0.751 18 E HN 0.371 nan 8.360 nan 0.000 0.491 19 R N -1.692 118.745 120.500 -0.105 0.000 2.299 19 R HA 0.245 4.591 4.340 0.010 0.000 0.197 19 R C 1.523 177.776 176.300 -0.078 0.000 0.971 19 R CA 0.484 56.525 56.100 -0.099 0.000 1.030 19 R CB 0.412 30.649 30.300 -0.106 0.000 0.932 19 R HN 0.536 nan 8.270 nan 0.000 0.477 20 G N 1.288 110.040 108.800 -0.080 0.000 2.141 20 G HA2 -0.240 3.726 3.960 0.010 0.000 0.231 20 G HA3 -0.240 3.726 3.960 0.010 0.000 0.231 20 G C 0.092 174.933 174.900 -0.099 0.000 0.984 20 G CA -0.413 44.640 45.100 -0.078 0.000 0.660 20 G HN 0.214 nan 8.290 nan 0.000 0.525 21 I N 0.926 121.427 120.570 -0.116 0.000 2.312 21 I HA 0.319 4.495 4.170 0.010 0.000 0.291 21 I C 0.952 176.931 176.117 -0.229 0.000 1.031 21 I CA -0.571 60.625 61.300 -0.174 0.000 1.293 21 I CB 1.162 39.072 38.000 -0.149 0.000 1.403 21 I HN 0.001 nan 8.210 nan 0.000 0.484 22 E N 2.974 123.014 120.200 -0.267 0.000 2.364 22 E HA 0.132 4.488 4.350 0.010 0.000 0.203 22 E C 0.349 176.715 176.600 -0.391 0.000 0.888 22 E CA 0.320 56.563 56.400 -0.262 0.000 0.989 22 E CB 0.939 30.538 29.700 -0.168 0.000 0.985 22 E HN 0.543 nan 8.360 nan 0.000 0.499 23 S N -0.757 114.657 115.700 -0.476 0.000 2.667 23 S HA 0.676 5.153 4.470 0.010 0.000 0.292 23 S C -1.476 172.677 174.600 -0.745 0.000 1.126 23 S CA -0.636 57.240 58.200 -0.540 0.000 0.881 23 S CB 0.706 63.755 63.200 -0.252 0.000 1.132 23 S HN -0.041 nan 8.310 nan 0.000 0.492 24 F N 1.339 121.189 119.950 -0.167 0.000 2.522 24 F HA 0.515 5.048 4.527 0.010 0.000 0.324 24 F C -0.224 175.455 175.800 -0.201 0.000 1.077 24 F CA -0.885 56.980 58.000 -0.224 0.000 0.944 24 F CB 1.071 39.986 39.000 -0.141 0.000 1.175 24 F HN 0.557 nan 8.300 nan 0.000 0.468 25 Y N 2.036 122.367 120.300 0.051 0.000 2.385 25 Y HA 0.043 4.599 4.550 0.010 0.000 0.346 25 Y C -1.385 174.263 175.900 -0.421 0.000 1.270 25 Y CA -1.498 56.431 58.100 -0.284 0.000 1.472 25 Y CB 0.027 38.373 38.460 -0.191 0.000 1.354 25 Y HN 0.412 nan 8.280 nan 0.000 0.611 26 P HA -0.166 nan 4.420 nan 0.000 0.215 26 P C -1.518 175.613 177.300 -0.281 0.000 1.157 26 P CA 1.948 64.743 63.100 -0.509 0.000 0.874 26 P CB -0.812 30.382 31.700 -0.843 0.000 0.790 27 P HA -0.159 nan 4.420 nan 0.000 0.215 27 P C 1.629 178.917 177.300 -0.020 0.000 1.153 27 P CA 1.603 64.680 63.100 -0.039 0.000 0.853 27 P CB -0.500 31.256 31.700 0.094 0.000 0.788 28 Q N -0.604 119.201 119.800 0.009 0.000 2.050 28 Q HA -0.125 4.221 4.340 0.010 0.000 0.202 28 Q C 2.283 178.198 176.000 -0.142 0.000 0.980 28 Q CA 1.626 57.407 55.803 -0.037 0.000 0.840 28 Q CB -0.820 27.933 28.738 0.026 0.000 0.898 28 Q HN 0.160 nan 8.270 nan 0.000 0.424 29 A N 1.516 124.275 122.820 -0.100 0.000 1.883 29 A HA -0.295 4.031 4.320 0.010 0.000 0.217 29 A C 1.977 179.495 177.584 -0.110 0.000 1.186 29 A CA 1.815 53.788 52.037 -0.107 0.000 0.624 29 A CB -0.678 18.292 19.000 -0.049 0.000 0.822 29 A HN 0.468 nan 8.150 nan 0.000 0.444 30 E N -0.242 119.905 120.200 -0.089 0.000 2.058 30 E HA -0.164 4.192 4.350 0.010 0.000 0.194 30 E C 2.153 178.709 176.600 -0.074 0.000 0.997 30 E CA 1.199 57.557 56.400 -0.070 0.000 0.801 30 E CB -0.282 29.386 29.700 -0.053 0.000 0.746 30 E HN 0.542 nan 8.360 nan 0.000 0.450 31 A N 1.057 123.830 122.820 -0.078 0.000 1.877 31 A HA -0.152 4.174 4.320 0.010 0.000 0.216 31 A C 2.229 179.745 177.584 -0.113 0.000 1.186 31 A CA 1.275 53.265 52.037 -0.079 0.000 0.620 31 A CB -0.761 18.200 19.000 -0.065 0.000 0.822 31 A HN 0.328 nan 8.150 nan 0.000 0.443 32 L N -1.253 119.867 121.223 -0.172 0.000 2.187 32 L HA -0.148 4.198 4.340 0.010 0.000 0.213 32 L C 1.837 178.614 176.870 -0.155 0.000 1.100 32 L CA 1.427 56.139 54.840 -0.212 0.000 0.765 32 L CB -0.238 41.605 42.059 -0.360 0.000 0.904 32 L HN 0.291 nan 8.230 nan 0.000 0.437 33 K N -0.866 119.462 120.400 -0.120 0.000 2.437 33 K HA 0.057 4.383 4.320 0.010 0.000 0.205 33 K C 1.718 178.278 176.600 -0.066 0.000 1.026 33 K CA 0.296 56.531 56.287 -0.087 0.000 1.153 33 K CB 0.358 32.815 32.500 -0.072 0.000 0.863 33 K HN 0.214 nan 8.250 nan 0.000 0.502 34 S N -1.227 114.433 115.700 -0.067 0.000 2.501 34 S HA 0.114 4.590 4.470 0.010 0.000 0.220 34 S C 1.469 176.042 174.600 -0.046 0.000 0.997 34 S CA 0.545 58.714 58.200 -0.051 0.000 0.919 34 S CB 0.402 63.572 63.200 -0.049 0.000 0.778 34 S HN 0.347 nan 8.310 nan 0.000 0.523 35 G N 1.703 110.473 108.800 -0.051 0.000 2.318 35 G HA2 -0.211 3.755 3.960 0.010 0.000 0.172 35 G HA3 -0.211 3.755 3.960 0.010 0.000 0.172 35 G C 0.725 175.601 174.900 -0.039 0.000 1.002 35 G CA -0.038 45.037 45.100 -0.041 0.000 0.697 35 G HN 0.756 nan 8.290 nan 0.000 0.483 36 I N -0.636 119.905 120.570 -0.048 0.000 2.454 36 I HA 0.127 4.304 4.170 0.010 0.000 0.254 36 I C 2.250 178.356 176.117 -0.018 0.000 1.156 36 I CA 1.078 62.353 61.300 -0.042 0.000 1.433 36 I CB -0.348 37.619 38.000 -0.054 0.000 1.082 36 I HN 0.170 nan 8.210 nan 0.000 0.432 37 L N 0.594 121.799 121.223 -0.030 0.000 2.465 37 L HA -0.024 4.322 4.340 0.010 0.000 0.224 37 L C 1.682 178.613 176.870 0.102 0.000 1.145 37 L CA 0.734 55.582 54.840 0.013 0.000 0.834 37 L CB -0.398 41.568 42.059 -0.156 0.000 0.944 37 L HN 0.245 nan 8.230 nan 0.000 0.451 38 E N -0.343 119.877 120.200 0.033 0.000 2.481 38 E HA 0.158 4.514 4.350 0.010 0.000 0.198 38 E C 1.290 177.892 176.600 0.004 0.000 1.027 38 E CA 0.579 56.995 56.400 0.026 0.000 0.900 38 E CB 0.732 30.433 29.700 0.001 0.000 0.993 38 E HN 0.305 nan 8.360 nan 0.000 0.482 39 G N 0.819 109.617 108.800 -0.003 0.000 2.163 39 G HA2 -0.259 3.707 3.960 0.010 0.000 0.213 39 G HA3 -0.259 3.707 3.960 0.010 0.000 0.213 39 G C 0.066 174.945 174.900 -0.035 0.000 0.991 39 G CA -0.229 44.857 45.100 -0.024 0.000 0.653 39 G HN 0.159 nan 8.290 nan 0.000 0.518 40 K N 0.671 121.050 120.400 -0.036 0.000 2.185 40 K HA 0.385 4.711 4.320 0.010 0.000 0.271 40 K C 0.189 176.755 176.600 -0.057 0.000 1.013 40 K CA -0.759 55.501 56.287 -0.046 0.000 0.943 40 K CB 0.444 32.919 32.500 -0.042 0.000 0.998 40 K HN 0.133 nan 8.250 nan 0.000 0.468 41 N N 0.598 119.255 118.700 -0.072 0.000 2.444 41 N HA 0.359 5.106 4.740 0.010 0.000 0.255 41 N C -0.853 174.612 175.510 -0.075 0.000 1.255 41 N CA -0.053 52.945 53.050 -0.086 0.000 0.933 41 N CB 1.173 39.590 38.487 -0.117 0.000 1.143 41 N HN 0.660 nan 8.380 nan 0.000 0.453 42 A N 0.436 123.211 122.820 -0.074 0.000 2.589 42 A HA 0.549 4.875 4.320 0.010 0.000 0.296 42 A C -1.794 175.757 177.584 -0.055 0.000 1.062 42 A CA -0.590 51.412 52.037 -0.059 0.000 0.686 42 A CB 1.055 20.025 19.000 -0.050 0.000 1.282 42 A HN 0.468 nan 8.150 nan 0.000 0.404 43 L N 3.089 124.286 121.223 -0.042 0.000 2.316 43 L HA 0.635 4.982 4.340 0.010 0.000 0.280 43 L C -1.273 175.590 176.870 -0.011 0.000 1.006 43 L CA -0.448 54.375 54.840 -0.030 0.000 0.836 43 L CB 0.997 43.039 42.059 -0.029 0.000 1.221 43 L HN 0.529 nan 8.230 nan 0.000 0.418 44 I N 3.983 124.553 120.570 0.000 0.000 2.306 44 I HA 0.271 4.447 4.170 0.010 0.000 0.288 44 I C 0.324 176.461 176.117 0.033 0.000 1.036 44 I CA -0.038 61.271 61.300 0.016 0.000 1.221 44 I CB 0.835 38.848 38.000 0.023 0.000 1.385 44 I HN 0.624 nan 8.210 nan 0.000 0.472 45 S N 8.715 124.433 115.700 0.031 0.000 2.475 45 S HA 0.675 5.151 4.470 0.010 0.000 0.249 45 S C -0.367 174.260 174.600 0.045 0.000 1.298 45 S CA -0.543 57.677 58.200 0.033 0.000 1.125 45 S CB -0.256 62.957 63.200 0.022 0.000 1.054 45 S HN 0.521 nan 8.310 nan 0.000 0.484 46 I N 0.384 120.990 120.570 0.060 0.000 3.191 46 I HA 0.732 4.908 4.170 0.010 0.000 0.313 46 I C -3.006 173.160 176.117 0.082 0.000 1.193 46 I CA -3.281 58.069 61.300 0.083 0.000 0.968 46 I CB 1.561 39.628 38.000 0.112 0.000 1.262 46 I HN 0.162 nan 8.210 nan 0.000 0.456 47 P HA 0.125 nan 4.420 nan 0.000 0.267 47 P C 0.356 177.713 177.300 0.094 0.000 1.200 47 P CA 0.040 63.181 63.100 0.069 0.000 0.772 47 P CB 0.592 32.320 31.700 0.047 0.000 0.855 48 T N 1.553 116.157 114.554 0.083 0.000 2.881 48 T HA -0.134 4.222 4.350 0.010 0.000 0.270 48 T C 1.685 176.460 174.700 0.125 0.000 1.068 48 T CA 1.671 63.837 62.100 0.109 0.000 1.131 48 T CB -0.470 68.458 68.868 0.100 0.000 0.871 48 T HN 0.459 nan 8.240 nan 0.000 0.479 49 A N 0.864 123.741 122.820 0.095 0.000 2.172 49 A HA 0.052 4.378 4.320 0.010 0.000 0.216 49 A C 2.173 179.840 177.584 0.138 0.000 1.154 49 A CA 0.872 52.963 52.037 0.089 0.000 0.701 49 A CB -0.263 18.744 19.000 0.011 0.000 0.789 49 A HN 0.385 nan 8.150 nan 0.000 0.465 50 S N -0.371 115.437 115.700 0.180 0.000 2.660 50 S HA 0.387 4.863 4.470 0.010 0.000 0.227 50 S C 0.973 175.842 174.600 0.448 0.000 0.948 50 S CA 0.384 58.777 58.200 0.321 0.000 0.948 50 S CB -0.385 63.001 63.200 0.310 0.000 0.779 50 S HN 1.471 nan 8.310 nan 0.000 0.487 51 G N 2.362 111.371 108.800 0.350 0.000 2.381 51 G HA2 -0.276 3.690 3.960 0.010 0.000 0.281 51 G HA3 -0.276 3.690 3.960 0.010 0.000 0.281 51 G C 0.525 175.556 174.900 0.218 0.000 0.984 51 G CA 0.211 45.480 45.100 0.283 0.000 1.339 51 G HN 0.459 nan 8.290 nan 0.000 0.485 52 K N -0.460 120.056 120.400 0.192 0.000 2.062 52 K HA -0.036 4.290 4.320 0.010 0.000 0.205 52 K C 2.790 179.499 176.600 0.182 0.000 1.051 52 K CA 1.592 57.977 56.287 0.163 0.000 0.941 52 K CB -0.106 32.486 32.500 0.153 0.000 0.719 52 K HN 0.442 nan 8.250 nan 0.000 0.440 53 T N 2.180 116.868 114.554 0.224 0.000 2.665 53 T HA -0.178 4.178 4.350 0.010 0.000 0.268 53 T C 1.706 176.545 174.700 0.232 0.000 1.035 53 T CA 1.242 63.510 62.100 0.280 0.000 1.151 53 T CB -0.258 68.773 68.868 0.271 0.000 0.862 53 T HN 0.079 nan 8.240 nan 0.000 0.438 54 L N 1.064 122.405 121.223 0.197 0.000 2.012 54 L HA -0.042 4.304 4.340 0.010 0.000 0.210 54 L C 2.175 179.110 176.870 0.108 0.000 1.073 54 L CA 1.567 56.513 54.840 0.176 0.000 0.748 54 L CB -0.664 41.505 42.059 0.183 0.000 0.891 54 L HN 0.309 nan 8.230 nan 0.000 0.431 55 I N -0.627 119.984 120.570 0.068 0.000 2.208 55 I HA -0.326 3.850 4.170 0.010 0.000 0.245 55 I C 2.534 178.649 176.117 -0.003 0.000 1.097 55 I CA 1.263 62.551 61.300 -0.020 0.000 1.363 55 I CB -0.690 37.299 38.000 -0.017 0.000 1.051 55 I HN 0.378 nan 8.210 nan 0.000 0.413 56 A N 0.181 123.043 122.820 0.070 0.000 1.897 56 A HA -0.177 4.149 4.320 0.010 0.000 0.215 56 A C 2.244 179.843 177.584 0.024 0.000 1.181 56 A CA 1.307 53.394 52.037 0.084 0.000 0.620 56 A CB -0.499 18.637 19.000 0.227 0.000 0.821 56 A HN 0.383 nan 8.150 nan 0.000 0.443 57 E N -0.207 120.004 120.200 0.018 0.000 2.058 57 E HA -0.197 4.159 4.350 0.010 0.000 0.194 57 E C 1.893 178.369 176.600 -0.207 0.000 0.997 57 E CA 1.449 57.760 56.400 -0.148 0.000 0.801 57 E CB -0.301 29.418 29.700 0.031 0.000 0.746 57 E HN 0.693 nan 8.360 nan 0.000 0.450 58 I N 0.830 121.356 120.570 -0.074 0.000 2.179 58 I HA -0.294 3.882 4.170 0.010 0.000 0.242 58 I C 2.571 178.618 176.117 -0.115 0.000 1.088 58 I CA 1.033 62.278 61.300 -0.092 0.000 1.357 58 I CB -0.368 37.591 38.000 -0.069 0.000 1.051 58 I HN 0.105 nan 8.210 nan 0.000 0.409 59 A N 0.665 123.430 122.820 -0.092 0.000 1.902 59 A HA -0.227 4.100 4.320 0.010 0.000 0.217 59 A C 2.367 179.908 177.584 -0.072 0.000 1.181 59 A CA 1.690 53.694 52.037 -0.055 0.000 0.623 59 A CB -0.571 18.399 19.000 -0.051 0.000 0.818 59 A HN 0.321 nan 8.150 nan 0.000 0.443 60 M N -0.863 118.657 119.600 -0.134 0.000 2.059 60 M HA -0.147 4.339 4.480 0.010 0.000 0.259 60 M C 2.172 178.322 176.300 -0.251 0.000 1.072 60 M CA 1.712 56.906 55.300 -0.177 0.000 1.117 60 M CB -0.600 31.869 32.600 -0.219 0.000 1.320 60 M HN 0.243 nan 8.290 nan 0.000 0.408 61 V N -0.348 119.320 119.914 -0.410 0.000 2.332 61 V HA -0.313 3.814 4.120 0.010 0.000 0.248 61 V C 2.328 178.265 176.094 -0.262 0.000 1.055 61 V CA 2.461 64.463 62.300 -0.497 0.000 1.038 61 V CB -1.083 30.168 31.823 -0.955 0.000 0.651 61 V HN 0.509 nan 8.190 nan 0.000 0.450 62 H N 0.494 119.411 119.070 -0.254 0.000 2.387 62 H HA -0.176 4.386 4.556 0.010 0.000 0.299 62 H C 2.302 177.556 175.328 -0.124 0.000 1.090 62 H CA 2.211 58.165 56.048 -0.156 0.000 1.332 62 H CB -0.080 29.608 29.762 -0.124 0.000 1.386 62 H HN 0.255 nan 8.280 nan 0.000 0.516 63 R N 0.970 121.347 120.500 -0.205 0.000 2.073 63 R HA -0.069 4.277 4.340 0.010 0.000 0.234 63 R C 2.398 178.578 176.300 -0.200 0.000 1.134 63 R CA 2.037 58.011 56.100 -0.209 0.000 0.952 63 R CB -0.710 29.520 30.300 -0.115 0.000 0.850 63 R HN 0.685 nan 8.270 nan 0.000 0.433 64 I N -2.501 117.965 120.570 -0.174 0.000 3.226 64 I HA 0.031 4.207 4.170 0.010 0.000 0.277 64 I C 1.469 177.505 176.117 -0.134 0.000 1.243 64 I CA 0.769 61.988 61.300 -0.135 0.000 1.459 64 I CB -0.138 37.793 38.000 -0.114 0.000 1.093 64 I HN 0.064 nan 8.210 nan 0.000 0.453 65 L N 1.644 122.768 121.223 -0.165 0.000 2.240 65 L HA -0.066 4.280 4.340 0.010 0.000 0.211 65 L C 2.740 179.530 176.870 -0.133 0.000 1.106 65 L CA 1.765 56.530 54.840 -0.125 0.000 0.793 65 L CB -0.457 41.541 42.059 -0.101 0.000 0.927 65 L HN 0.491 nan 8.230 nan 0.000 0.446 66 T N -4.847 109.581 114.554 -0.209 0.000 3.031 66 T HA -0.047 4.309 4.350 0.010 0.000 0.254 66 T C 1.591 176.213 174.700 -0.131 0.000 1.060 66 T CA 0.231 62.217 62.100 -0.189 0.000 1.135 66 T CB 0.146 68.832 68.868 -0.302 0.000 0.896 66 T HN 0.246 nan 8.240 nan 0.000 0.472 67 Q N 0.707 120.430 119.800 -0.129 0.000 2.217 67 Q HA 0.447 4.793 4.340 0.010 0.000 0.217 67 Q C 1.004 176.968 176.000 -0.059 0.000 0.844 67 Q CA -0.057 55.696 55.803 -0.083 0.000 0.957 67 Q CB 1.020 29.710 28.738 -0.080 0.000 1.127 67 Q HN 0.723 nan 8.270 nan 0.000 0.503 68 G N 0.407 109.167 108.800 -0.066 0.000 2.806 68 G HA2 -0.037 3.929 3.960 0.010 0.000 0.236 68 G HA3 -0.037 3.929 3.960 0.010 0.000 0.236 68 G C 0.312 175.192 174.900 -0.032 0.000 1.387 68 G CA -0.329 44.745 45.100 -0.044 0.000 0.884 68 G HN 0.799 nan 8.290 nan 0.000 0.560 69 G N -1.361 107.432 108.800 -0.012 0.000 2.587 69 G HA2 0.267 4.233 3.960 0.010 0.000 0.212 69 G HA3 0.267 4.233 3.960 0.010 0.000 0.212 69 G C -0.245 174.660 174.900 0.008 0.000 1.327 69 G CA 0.683 45.790 45.100 0.012 0.000 0.898 69 G HN 1.338 nan 8.290 nan 0.000 0.551 70 K N -0.321 120.101 120.400 0.036 0.000 2.295 70 K HA 0.802 5.128 4.320 0.010 0.000 0.239 70 K C -0.116 176.493 176.600 0.016 0.000 0.991 70 K CA -0.187 56.118 56.287 0.030 0.000 0.845 70 K CB 2.247 34.794 32.500 0.077 0.000 1.197 70 K HN 1.299 nan 8.250 nan 0.000 0.441 71 A N 1.118 123.935 122.820 -0.005 0.000 2.356 71 A HA 0.566 4.892 4.320 0.010 0.000 0.310 71 A C -1.151 176.439 177.584 0.011 0.000 1.075 71 A CA -0.677 51.349 52.037 -0.020 0.000 0.746 71 A CB 1.183 20.140 19.000 -0.073 0.000 1.221 71 A HN 0.348 nan 8.150 nan 0.000 0.443 72 V N 2.531 122.435 119.914 -0.017 0.000 2.417 72 V HA 0.307 4.433 4.120 0.010 0.000 0.291 72 V C -1.088 174.999 176.094 -0.011 0.000 1.024 72 V CA -0.374 61.897 62.300 -0.047 0.000 0.861 72 V CB 1.249 32.905 31.823 -0.278 0.000 0.985 72 V HN 0.801 nan 8.190 nan 0.000 0.436 73 Y N 5.641 125.933 120.300 -0.013 0.000 2.369 73 Y HA 0.531 5.087 4.550 0.010 0.000 0.337 73 Y C -0.090 175.818 175.900 0.014 0.000 0.961 73 Y CA -0.896 57.236 58.100 0.052 0.000 1.186 73 Y CB 1.016 39.627 38.460 0.252 0.000 1.139 73 Y HN 0.432 nan 8.280 nan 0.000 0.494 74 I N 8.599 129.007 120.570 -0.270 0.000 2.291 74 I HA 0.134 4.311 4.170 0.010 0.000 0.292 74 I C -0.105 175.943 176.117 -0.115 0.000 1.064 74 I CA -0.431 60.779 61.300 -0.150 0.000 1.269 74 I CB 0.217 38.114 38.000 -0.172 0.000 1.418 74 I HN 0.370 nan 8.210 nan 0.000 0.485 75 V N 6.550 126.501 119.914 0.062 0.000 2.644 75 V HA 0.415 4.541 4.120 0.010 0.000 0.295 75 V C -1.893 174.228 176.094 0.045 0.000 1.053 75 V CA -1.393 60.968 62.300 0.102 0.000 0.987 75 V CB 1.037 32.954 31.823 0.157 0.000 1.006 75 V HN 0.415 nan 8.190 nan 0.000 0.472 76 P HA 0.089 nan 4.420 nan 0.000 0.215 76 P C 0.021 177.340 177.300 0.033 0.000 1.157 76 P CA 1.002 64.111 63.100 0.015 0.000 0.859 76 P CB 0.093 31.795 31.700 0.002 0.000 0.786 77 L N -0.845 120.404 121.223 0.044 0.000 2.362 77 L HA 0.345 4.691 4.340 0.010 0.000 0.271 77 L C 1.554 178.450 176.870 0.043 0.000 1.002 77 L CA -0.931 53.935 54.840 0.044 0.000 0.818 77 L CB 2.170 44.256 42.059 0.045 0.000 1.298 77 L HN -0.182 nan 8.230 nan 0.000 0.420 78 K N 1.359 121.781 120.400 0.037 0.000 2.209 78 K HA -0.075 4.251 4.320 0.010 0.000 0.204 78 K C 1.396 178.007 176.600 0.019 0.000 1.048 78 K CA 1.445 57.748 56.287 0.026 0.000 0.940 78 K CB -0.122 32.384 32.500 0.009 0.000 0.729 78 K HN 0.637 nan 8.250 nan 0.000 0.451 79 A N 0.723 123.556 122.820 0.022 0.000 2.216 79 A HA 0.036 4.362 4.320 0.010 0.000 0.214 79 A C 1.650 179.242 177.584 0.015 0.000 1.160 79 A CA 0.675 52.717 52.037 0.008 0.000 0.725 79 A CB -0.192 18.813 19.000 0.007 0.000 0.784 79 A HN 0.256 nan 8.150 nan 0.000 0.472 80 L N -1.759 119.481 121.223 0.028 0.000 2.616 80 L HA 0.283 4.629 4.340 0.010 0.000 0.229 80 L C 2.519 179.401 176.870 0.020 0.000 1.110 80 L CA 0.954 55.814 54.840 0.033 0.000 0.884 80 L CB -0.472 41.619 42.059 0.054 0.000 1.115 80 L HN 0.319 nan 8.230 nan 0.000 0.481 81 A N -0.095 122.736 122.820 0.019 0.000 1.877 81 A HA -0.240 4.086 4.320 0.010 0.000 0.216 81 A C 2.233 179.819 177.584 0.003 0.000 1.186 81 A CA 1.801 53.845 52.037 0.012 0.000 0.620 81 A CB -0.399 18.606 19.000 0.009 0.000 0.822 81 A HN 0.390 nan 8.150 nan 0.000 0.443 82 E N 0.505 120.707 120.200 0.005 0.000 2.065 82 E HA -0.284 4.072 4.350 0.010 0.000 0.201 82 E C 1.869 178.509 176.600 0.067 0.000 1.016 82 E CA 2.230 58.657 56.400 0.044 0.000 0.818 82 E CB -0.407 29.302 29.700 0.014 0.000 0.749 82 E HN 0.600 nan 8.360 nan 0.000 0.453 83 E N 0.381 120.583 120.200 0.003 0.000 2.070 83 E HA -0.217 4.139 4.350 0.010 0.000 0.197 83 E C 1.871 178.386 176.600 -0.140 0.000 1.004 83 E CA 1.850 58.229 56.400 -0.034 0.000 0.805 83 E CB -0.169 29.518 29.700 -0.023 0.000 0.744 83 E HN 0.105 nan 8.360 nan 0.000 0.451 84 K N -0.280 119.972 120.400 -0.247 0.000 2.097 84 K HA -0.134 4.192 4.320 0.010 0.000 0.206 84 K C 2.134 178.302 176.600 -0.721 0.000 1.049 84 K CA 1.192 57.071 56.287 -0.681 0.000 0.933 84 K CB -0.707 31.353 32.500 -0.732 0.000 0.717 84 K HN 0.274 nan 8.250 nan 0.000 0.442 85 F N 2.649 122.363 119.950 -0.393 0.000 2.171 85 F HA -0.208 4.325 4.527 0.010 0.000 0.300 85 F C 2.202 177.949 175.800 -0.089 0.000 1.090 85 F CA 1.476 59.367 58.000 -0.181 0.000 1.293 85 F CB 0.060 39.012 39.000 -0.081 0.000 1.013 85 F HN 0.018 nan 8.300 nan 0.000 0.486 86 Q N 0.700 120.420 119.800 -0.133 0.000 2.083 86 Q HA -0.177 4.169 4.340 0.010 0.000 0.198 86 Q C 2.147 178.052 176.000 -0.159 0.000 0.969 86 Q CA 1.875 57.579 55.803 -0.165 0.000 0.838 86 Q CB -0.661 28.057 28.738 -0.033 0.000 0.900 86 Q HN 0.753 nan 8.270 nan 0.000 0.436 87 E N -0.742 119.376 120.200 -0.137 0.000 2.427 87 E HA -0.044 4.312 4.350 0.010 0.000 0.196 87 E C 1.386 178.083 176.600 0.162 0.000 1.028 87 E CA 0.316 56.698 56.400 -0.031 0.000 0.864 87 E CB -0.293 29.404 29.700 -0.006 0.000 0.813 87 E HN 0.335 nan 8.360 nan 0.000 0.514 88 F N 1.031 120.925 119.950 -0.095 0.000 2.789 88 F HA 0.072 4.606 4.527 0.011 0.000 0.300 88 F C 2.095 177.854 175.800 -0.068 0.000 1.132 88 F CA -0.626 57.403 58.000 0.048 0.000 1.404 88 F CB 0.331 39.390 39.000 0.098 0.000 1.114 88 F HN -0.013 nan 8.300 nan 0.000 0.584 89 Q N 1.135 120.894 119.800 -0.070 0.000 2.152 89 Q HA -0.230 4.116 4.340 0.010 0.000 0.206 89 Q C 1.436 177.353 176.000 -0.138 0.000 0.985 89 Q CA 1.966 57.665 55.803 -0.172 0.000 0.863 89 Q CB -0.728 27.866 28.738 -0.239 0.000 0.904 89 Q HN 0.582 nan 8.270 nan 0.000 0.422 90 D N -1.796 118.453 120.400 -0.253 0.000 2.378 90 D HA -0.164 4.482 4.640 0.010 0.000 0.222 90 D C 1.217 177.328 176.300 -0.316 0.000 0.980 90 D CA 0.407 54.219 54.000 -0.314 0.000 0.907 90 D CB -0.807 39.743 40.800 -0.416 0.000 0.899 90 D HN 0.324 nan 8.370 nan 0.000 0.527 91 W N 1.037 122.320 121.300 -0.029 0.000 2.595 91 W HA 0.084 4.750 4.660 0.010 0.000 0.257 91 W C 1.994 178.501 176.519 -0.020 0.000 1.267 91 W CA -0.170 57.154 57.345 -0.036 0.000 1.300 91 W CB 0.200 29.621 29.460 -0.065 0.000 1.120 91 W HN -0.080 nan 8.180 nan 0.000 0.618 92 E N 0.892 121.180 120.200 0.146 0.000 2.150 92 E HA -0.163 4.193 4.350 0.010 0.000 0.193 92 E C 1.680 178.320 176.600 0.067 0.000 0.985 92 E CA 1.051 57.510 56.400 0.100 0.000 0.814 92 E CB -0.269 29.465 29.700 0.057 0.000 0.752 92 E HN 0.425 nan 8.360 nan 0.000 0.466 93 K N 0.743 121.164 120.400 0.034 0.000 2.280 93 K HA -0.079 4.247 4.320 0.010 0.000 0.202 93 K C 2.015 178.641 176.600 0.045 0.000 1.047 93 K CA 0.952 57.248 56.287 0.015 0.000 0.942 93 K CB -0.163 32.318 32.500 -0.032 0.000 0.739 93 K HN 0.267 nan 8.250 nan 0.000 0.457 94 I N -3.717 116.911 120.570 0.097 0.000 3.889 94 I HA 0.344 4.520 4.170 0.010 0.000 0.332 94 I C 0.459 176.629 176.117 0.089 0.000 1.493 94 I CA -0.072 61.291 61.300 0.106 0.000 1.158 94 I CB 0.433 38.536 38.000 0.171 0.000 1.117 94 I HN 0.127 nan 8.210 nan 0.000 0.411 95 G N 1.937 110.782 108.800 0.075 0.000 2.132 95 G HA2 -0.210 3.756 3.960 0.010 0.000 0.234 95 G HA3 -0.210 3.756 3.960 0.010 0.000 0.234 95 G C -0.190 174.741 174.900 0.052 0.000 0.989 95 G CA 0.006 45.137 45.100 0.051 0.000 0.676 95 G HN 0.413 nan 8.290 nan 0.000 0.522 96 L N 1.007 122.284 121.223 0.091 0.000 2.276 96 L HA 0.504 4.850 4.340 0.010 0.000 0.286 96 L C 0.900 177.845 176.870 0.125 0.000 1.024 96 L CA -0.920 53.969 54.840 0.082 0.000 0.826 96 L CB 1.138 43.239 42.059 0.070 0.000 1.211 96 L HN 0.101 nan 8.230 nan 0.000 0.422 97 R N 2.598 123.165 120.500 0.112 0.000 2.389 97 R HA 0.439 4.785 4.340 0.010 0.000 0.295 97 R C -0.750 175.778 176.300 0.379 0.000 1.075 97 R CA -0.520 55.705 56.100 0.209 0.000 1.005 97 R CB 1.299 31.618 30.300 0.030 0.000 0.987 97 R HN 0.293 nan 8.270 nan 0.000 0.452 98 V N 2.079 122.243 119.914 0.417 0.000 2.483 98 V HA 0.699 4.825 4.120 0.010 0.000 0.295 98 V C -0.013 176.331 176.094 0.417 0.000 1.035 98 V CA -0.687 61.842 62.300 0.382 0.000 0.896 98 V CB 1.565 33.554 31.823 0.277 0.000 0.986 98 V HN 0.948 nan 8.190 nan 0.000 0.447 99 A N 5.321 128.245 122.820 0.174 0.000 2.498 99 A HA 0.915 5.241 4.320 0.010 0.000 0.298 99 A C -0.894 176.681 177.584 -0.015 0.000 1.075 99 A CA -0.739 51.225 52.037 -0.121 0.000 0.714 99 A CB 1.855 20.330 19.000 -0.875 0.000 1.299 99 A HN 0.751 nan 8.150 nan 0.000 0.407 100 M N 1.616 121.151 119.600 -0.107 0.000 2.167 100 M HA 0.563 5.049 4.480 0.010 0.000 0.333 100 M C -0.188 176.112 176.300 0.001 0.000 1.030 100 M CA -0.280 54.968 55.300 -0.086 0.000 0.963 100 M CB 1.866 34.310 32.600 -0.260 0.000 1.589 100 M HN 0.850 nan 8.290 nan 0.000 0.431 101 A N 2.072 124.901 122.820 0.015 0.000 2.466 101 A HA 0.580 4.906 4.320 0.010 0.000 0.291 101 A C 0.366 177.984 177.584 0.056 0.000 1.234 101 A CA -0.492 51.578 52.037 0.056 0.000 0.752 101 A CB 0.255 19.254 19.000 -0.001 0.000 1.153 101 A HN 0.901 nan 8.150 nan 0.000 0.458 102 T N -1.219 113.349 114.554 0.023 0.000 3.087 102 T HA 0.507 4.863 4.350 0.010 0.000 0.283 102 T C 0.734 175.370 174.700 -0.108 0.000 0.956 102 T CA 0.815 62.913 62.100 -0.004 0.000 0.894 102 T CB 0.132 68.991 68.868 -0.014 0.000 1.160 102 T HN 1.214 nan 8.240 nan 0.000 0.532 103 G N 0.323 109.025 108.800 -0.162 0.000 3.243 103 G HA2 0.540 4.506 3.960 0.010 0.000 0.248 103 G HA3 0.540 4.506 3.960 0.010 0.000 0.248 103 G C -1.517 173.171 174.900 -0.354 0.000 1.267 103 G CA -0.342 44.514 45.100 -0.406 0.000 0.906 103 G HN 0.114 nan 8.290 nan 0.000 0.592 104 D N -0.604 119.548 120.400 -0.413 0.000 2.904 104 D HA -0.183 4.464 4.640 0.010 0.000 0.231 104 D C 0.680 176.928 176.300 -0.086 0.000 1.185 104 D CA 0.693 54.557 54.000 -0.228 0.000 0.783 104 D CB -1.161 39.580 40.800 -0.098 0.000 0.961 104 D HN 0.603 nan 8.370 nan 0.000 0.409 105 Y N -0.383 119.850 120.300 -0.112 0.000 2.315 105 Y HA -0.194 4.361 4.550 0.009 0.000 0.288 105 Y C 2.046 178.073 175.900 0.211 0.000 1.154 105 Y CA 0.659 58.743 58.100 -0.026 0.000 1.229 105 Y CB 0.169 38.592 38.460 -0.062 0.000 0.980 105 Y HN 0.070 nan 8.280 nan 0.000 0.540 106 D N 0.536 121.183 120.400 0.412 0.000 3.060 106 D HA 0.094 4.741 4.640 0.010 0.000 0.245 106 D C -0.735 175.590 176.300 0.041 0.000 1.274 106 D CA 0.045 54.332 54.000 0.478 0.000 0.864 106 D CB -0.011 41.167 40.800 0.630 0.000 1.073 106 D HN -0.033 nan 8.370 nan 0.000 0.473 107 S N -0.501 114.994 115.700 -0.342 0.000 2.541 107 S HA 0.315 4.791 4.470 0.010 0.000 0.271 107 S C 0.619 174.906 174.600 -0.523 0.000 1.133 107 S CA -0.766 57.223 58.200 -0.351 0.000 0.876 107 S CB 1.289 64.463 63.200 -0.044 0.000 1.105 107 S HN 0.084 nan 8.310 nan 0.000 0.470 108 K N 1.096 121.307 120.400 -0.314 0.000 2.366 108 K HA 0.085 4.411 4.320 0.010 0.000 0.198 108 K C -0.535 176.084 176.600 0.033 0.000 1.044 108 K CA 0.398 56.602 56.287 -0.139 0.000 0.973 108 K CB -0.109 32.374 32.500 -0.028 0.000 0.767 108 K HN 0.665 nan 8.250 nan 0.000 0.475 109 D N 1.525 121.968 120.400 0.072 0.000 2.735 109 D HA -0.162 4.484 4.640 0.010 0.000 0.235 109 D C 0.494 176.816 176.300 0.037 0.000 1.175 109 D CA 0.568 54.601 54.000 0.056 0.000 0.683 109 D CB -0.527 40.221 40.800 -0.087 0.000 1.008 109 D HN 0.226 nan 8.370 nan 0.000 0.416 110 E N -0.618 119.698 120.200 0.193 0.000 2.265 110 E HA -0.156 4.200 4.350 0.010 0.000 0.196 110 E C 2.082 178.778 176.600 0.160 0.000 0.996 110 E CA 0.751 57.303 56.400 0.253 0.000 0.832 110 E CB -0.228 29.602 29.700 0.217 0.000 0.756 110 E HN 0.788 nan 8.360 nan 0.000 0.491 111 W N 0.348 121.728 121.300 0.135 0.000 2.421 111 W HA -0.097 4.569 4.660 0.009 0.000 0.270 111 W C 1.216 177.798 176.519 0.104 0.000 1.233 111 W CA 0.316 57.726 57.345 0.107 0.000 1.226 111 W CB -0.969 28.550 29.460 0.099 0.000 1.121 111 W HN -0.016 nan 8.180 nan 0.000 0.579 112 L N 1.634 122.397 121.223 -0.767 0.000 2.376 112 L HA 0.053 4.399 4.340 0.010 0.000 0.219 112 L C 2.883 179.345 176.870 -0.680 0.000 1.133 112 L CA 0.957 55.230 54.840 -0.945 0.000 0.816 112 L CB -1.161 40.026 42.059 -1.454 0.000 0.933 112 L HN 0.079 nan 8.230 nan 0.000 0.449 113 G N 1.335 109.833 108.800 -0.503 0.000 2.475 113 G HA2 -0.294 3.672 3.960 0.010 0.000 0.220 113 G HA3 -0.294 3.672 3.960 0.010 0.000 0.220 113 G C 1.493 176.326 174.900 -0.112 0.000 1.125 113 G CA 0.972 45.929 45.100 -0.237 0.000 0.755 113 G HN 0.563 nan 8.290 nan 0.000 0.565 114 K N -0.945 119.410 120.400 -0.074 0.000 2.458 114 K HA 0.192 4.518 4.320 0.010 0.000 0.194 114 K C -0.351 176.081 176.600 -0.281 0.000 1.024 114 K CA -0.326 55.876 56.287 -0.143 0.000 1.108 114 K CB 0.014 32.422 32.500 -0.153 0.000 0.846 114 K HN 0.329 nan 8.250 nan 0.000 0.518 115 Y N 1.274 121.496 120.300 -0.131 0.000 2.403 115 Y HA 0.157 4.713 4.550 0.011 0.000 0.323 115 Y C 1.003 176.834 175.900 -0.114 0.000 1.226 115 Y CA -0.656 57.386 58.100 -0.097 0.000 1.235 115 Y CB 1.403 39.794 38.460 -0.116 0.000 1.248 115 Y HN -0.030 nan 8.280 nan 0.000 0.489 116 D N 0.783 121.241 120.400 0.098 0.000 2.379 116 D HA 0.165 4.811 4.640 0.010 0.000 0.218 116 D C -0.144 176.165 176.300 0.016 0.000 1.006 116 D CA 0.987 55.002 54.000 0.025 0.000 0.893 116 D CB 1.053 41.856 40.800 0.005 0.000 1.019 116 D HN 0.306 nan 8.370 nan 0.000 0.503 117 I N 1.881 122.492 120.570 0.068 0.000 2.418 117 I HA 0.323 4.500 4.170 0.010 0.000 0.287 117 I C -0.721 175.456 176.117 0.099 0.000 1.008 117 I CA -0.482 60.854 61.300 0.060 0.000 1.104 117 I CB 2.373 40.403 38.000 0.051 0.000 1.264 117 I HN -0.308 nan 8.210 nan 0.000 0.438 118 I N 7.221 127.829 120.570 0.064 0.000 2.418 118 I HA 0.428 4.604 4.170 0.010 0.000 0.287 118 I C -0.392 175.801 176.117 0.126 0.000 1.008 118 I CA -0.482 60.834 61.300 0.026 0.000 1.104 118 I CB 1.852 39.783 38.000 -0.115 0.000 1.264 118 I HN 0.378 nan 8.210 nan 0.000 0.438 119 I N 5.996 126.659 120.570 0.154 0.000 2.353 119 I HA 0.741 4.917 4.170 0.010 0.000 0.293 119 I C 0.234 176.426 176.117 0.125 0.000 0.992 119 I CA -0.035 61.382 61.300 0.196 0.000 1.268 119 I CB 1.462 39.565 38.000 0.170 0.000 1.387 119 I HN 0.677 nan 8.210 nan 0.000 0.478 120 A N 3.558 126.457 122.820 0.132 0.000 2.601 120 A HA 0.690 5.016 4.320 0.010 0.000 0.291 120 A C -0.324 177.322 177.584 0.103 0.000 1.075 120 A CA -0.668 51.438 52.037 0.115 0.000 0.671 120 A CB 1.198 20.294 19.000 0.159 0.000 1.277 120 A HN 0.655 nan 8.150 nan 0.000 0.417 121 T N -0.905 113.709 114.554 0.100 0.000 2.816 121 T HA 0.561 4.917 4.350 0.010 0.000 0.282 121 T C 1.436 176.199 174.700 0.105 0.000 0.993 121 T CA 0.261 62.411 62.100 0.084 0.000 0.994 121 T CB 1.159 70.074 68.868 0.078 0.000 1.025 121 T HN 1.855 nan 8.240 nan 0.000 0.529 122 A N 0.563 123.435 122.820 0.087 0.000 1.902 122 A HA -0.046 4.280 4.320 0.010 0.000 0.217 122 A C 2.198 179.848 177.584 0.110 0.000 1.181 122 A CA 1.585 53.695 52.037 0.122 0.000 0.623 122 A CB -1.033 18.023 19.000 0.094 0.000 0.818 122 A HN 0.897 nan 8.150 nan 0.000 0.443 123 E N -0.081 120.138 120.200 0.032 0.000 2.051 123 E HA -0.175 4.181 4.350 0.010 0.000 0.192 123 E C 2.019 178.366 176.600 -0.421 0.000 0.991 123 E CA 1.599 57.891 56.400 -0.180 0.000 0.799 123 E CB -0.212 29.383 29.700 -0.175 0.000 0.748 123 E HN 0.554 nan 8.360 nan 0.000 0.449 124 K N 0.169 120.520 120.400 -0.082 0.000 2.057 124 K HA -0.130 4.196 4.320 0.010 0.000 0.207 124 K C 1.824 178.448 176.600 0.041 0.000 1.049 124 K CA 1.106 57.413 56.287 0.033 0.000 0.931 124 K CB -0.644 31.951 32.500 0.157 0.000 0.714 124 K HN 0.137 nan 8.250 nan 0.000 0.440 125 F N 1.495 121.433 119.950 -0.020 0.000 2.146 125 F HA -0.108 4.425 4.527 0.009 0.000 0.298 125 F C 1.837 177.637 175.800 -0.001 0.000 1.096 125 F CA 1.872 59.886 58.000 0.023 0.000 1.275 125 F CB -0.699 38.334 39.000 0.055 0.000 1.008 125 F HN 0.225 nan 8.300 nan 0.000 0.480 126 D N -0.702 119.684 120.400 -0.023 0.000 2.104 126 D HA -0.223 4.423 4.640 0.010 0.000 0.194 126 D C 2.489 178.744 176.300 -0.074 0.000 0.994 126 D CA 1.721 55.717 54.000 -0.007 0.000 0.830 126 D CB -0.496 40.406 40.800 0.170 0.000 0.959 126 D HN 0.271 nan 8.370 nan 0.000 0.452 127 S N -1.041 114.505 115.700 -0.258 0.000 2.370 127 S HA -0.142 4.334 4.470 0.010 0.000 0.226 127 S C 2.212 176.804 174.600 -0.014 0.000 1.033 127 S CA 1.197 59.288 58.200 -0.182 0.000 1.011 127 S CB -0.449 62.498 63.200 -0.423 0.000 0.852 127 S HN 0.347 nan 8.310 nan 0.000 0.457 128 L N 0.770 121.926 121.223 -0.111 0.000 2.056 128 L HA -0.045 4.301 4.340 0.010 0.000 0.207 128 L C 2.518 179.207 176.870 -0.302 0.000 1.078 128 L CA 1.027 55.769 54.840 -0.164 0.000 0.749 128 L CB -0.506 41.430 42.059 -0.205 0.000 0.901 128 L HN 0.335 nan 8.230 nan 0.000 0.433 129 L N -0.628 120.343 121.223 -0.420 0.000 2.083 129 L HA -0.207 4.139 4.340 0.010 0.000 0.209 129 L C 2.855 179.590 176.870 -0.225 0.000 1.083 129 L CA 1.278 55.912 54.840 -0.344 0.000 0.752 129 L CB -0.424 41.445 42.059 -0.317 0.000 0.899 129 L HN 0.227 nan 8.230 nan 0.000 0.433 130 R N -1.325 119.040 120.500 -0.225 0.000 2.075 130 R HA -0.115 4.231 4.340 0.010 0.000 0.232 130 R C 2.190 178.238 176.300 -0.421 0.000 1.126 130 R CA 0.873 56.692 56.100 -0.469 0.000 0.963 130 R CB -0.385 29.738 30.300 -0.295 0.000 0.858 130 R HN 0.436 nan 8.270 nan 0.000 0.435 131 H N -0.212 118.729 119.070 -0.215 0.000 2.521 131 H HA 0.004 4.566 4.556 0.010 0.000 0.286 131 H C 1.010 176.223 175.328 -0.191 0.000 1.034 131 H CA 1.246 57.201 56.048 -0.156 0.000 1.278 131 H CB 0.116 29.825 29.762 -0.089 0.000 1.386 131 H HN 0.482 nan 8.280 nan 0.000 0.567 132 G N 1.464 110.168 108.800 -0.161 0.000 2.272 132 G HA2 -0.284 3.683 3.960 0.010 0.000 0.280 132 G HA3 -0.284 3.683 3.960 0.010 0.000 0.280 132 G C 0.020 174.799 174.900 -0.202 0.000 1.067 132 G CA 0.487 45.477 45.100 -0.184 0.000 0.902 132 G HN 0.329 nan 8.290 nan 0.000 0.500 133 S N 0.235 115.747 115.700 -0.314 0.000 2.593 133 S HA 0.261 4.737 4.470 0.010 0.000 0.300 133 S C 1.906 176.243 174.600 -0.438 0.000 1.267 133 S CA 0.483 58.423 58.200 -0.433 0.000 1.065 133 S CB 1.141 63.830 63.200 -0.851 0.000 0.807 133 S HN 1.511 nan 8.310 nan 0.000 0.499 134 S N 3.307 118.889 115.700 -0.196 0.000 2.440 134 S HA -0.135 4.341 4.470 0.010 0.000 0.238 134 S C 1.481 176.075 174.600 -0.009 0.000 1.010 134 S CA 0.956 59.117 58.200 -0.065 0.000 0.972 134 S CB -0.479 62.747 63.200 0.043 0.000 0.774 134 S HN 0.976 nan 8.310 nan 0.000 0.501 135 W N 1.009 122.315 121.300 0.010 0.000 3.139 135 W HA 0.353 5.018 4.660 0.010 0.000 0.260 135 W C 1.222 177.763 176.519 0.037 0.000 1.312 135 W CA -0.546 56.810 57.345 0.019 0.000 1.606 135 W CB -0.767 28.699 29.460 0.011 0.000 1.118 135 W HN 0.243 nan 8.180 nan 0.000 0.675 136 I N 2.951 123.293 120.570 -0.380 0.000 2.208 136 I HA -0.381 3.796 4.170 0.010 0.000 0.245 136 I C 2.635 178.764 176.117 0.020 0.000 1.097 136 I CA 2.390 63.531 61.300 -0.266 0.000 1.363 136 I CB -0.472 37.281 38.000 -0.412 0.000 1.051 136 I HN -0.039 nan 8.210 nan 0.000 0.413 137 K N 0.297 120.703 120.400 0.010 0.000 2.360 137 K HA -0.179 4.147 4.320 0.010 0.000 0.201 137 K C 0.881 177.535 176.600 0.091 0.000 1.046 137 K CA 1.534 57.849 56.287 0.047 0.000 0.940 137 K CB -0.311 32.208 32.500 0.031 0.000 0.748 137 K HN 0.307 nan 8.250 nan 0.000 0.465 138 D N 1.361 121.852 120.400 0.152 0.000 2.323 138 D HA -0.006 4.640 4.640 0.010 0.000 0.209 138 D C 0.211 176.603 176.300 0.155 0.000 0.973 138 D CA 0.334 54.430 54.000 0.159 0.000 0.874 138 D CB 0.125 41.051 40.800 0.210 0.000 0.930 138 D HN 0.002 nan 8.370 nan 0.000 0.521 139 V N 2.367 122.399 119.914 0.196 0.000 2.479 139 V HA 0.003 4.129 4.120 0.010 0.000 0.281 139 V C 1.412 177.558 176.094 0.087 0.000 1.031 139 V CA 0.207 62.608 62.300 0.168 0.000 1.038 139 V CB 1.270 33.238 31.823 0.241 0.000 0.981 139 V HN -0.059 nan 8.190 nan 0.000 0.478 140 K N 4.101 124.527 120.400 0.043 0.000 2.335 140 K HA 0.417 4.743 4.320 0.010 0.000 0.195 140 K C 0.175 176.767 176.600 -0.012 0.000 1.058 140 K CA 0.516 56.807 56.287 0.008 0.000 0.988 140 K CB 1.053 33.543 32.500 -0.016 0.000 0.880 140 K HN 0.635 nan 8.250 nan 0.000 0.513 141 I N 0.307 120.866 120.570 -0.019 0.000 2.692 141 I HA 0.332 4.509 4.170 0.010 0.000 0.293 141 I C -1.971 174.109 176.117 -0.062 0.000 1.200 141 I CA -1.137 60.136 61.300 -0.044 0.000 1.036 141 I CB 2.106 40.072 38.000 -0.056 0.000 1.258 141 I HN -0.120 nan 8.210 nan 0.000 0.421 142 L N 7.871 129.038 121.223 -0.092 0.000 2.385 142 L HA 0.713 5.059 4.340 0.010 0.000 0.273 142 L C -1.635 175.143 176.870 -0.154 0.000 0.990 142 L CA -0.568 54.179 54.840 -0.155 0.000 0.821 142 L CB 1.934 43.870 42.059 -0.205 0.000 1.279 142 L HN 0.409 nan 8.230 nan 0.000 0.412 143 V N 4.260 124.057 119.914 -0.195 0.000 2.417 143 V HA 0.641 4.768 4.120 0.010 0.000 0.291 143 V C 0.188 176.061 176.094 -0.369 0.000 1.024 143 V CA -0.439 61.709 62.300 -0.253 0.000 0.861 143 V CB 1.495 33.162 31.823 -0.261 0.000 0.985 143 V HN 0.845 nan 8.190 nan 0.000 0.436 144 A N 3.324 125.984 122.820 -0.266 0.000 2.322 144 A HA 0.536 4.862 4.320 0.010 0.000 0.327 144 A C -0.284 177.169 177.584 -0.217 0.000 1.394 144 A CA -0.432 51.467 52.037 -0.230 0.000 0.921 144 A CB 0.165 19.084 19.000 -0.135 0.000 1.153 144 A HN 0.780 nan 8.150 nan 0.000 0.523 145 D N 2.245 122.472 120.400 -0.287 0.000 2.345 145 D HA 0.226 4.872 4.640 0.010 0.000 0.247 145 D C 0.176 176.425 176.300 -0.084 0.000 1.108 145 D CA 0.681 54.590 54.000 -0.152 0.000 0.894 145 D CB 0.554 41.287 40.800 -0.111 0.000 1.203 145 D HN 0.560 nan 8.370 nan 0.000 0.430 146 E N 2.167 122.358 120.200 -0.016 0.000 2.297 146 E HA -0.257 4.099 4.350 0.010 0.000 0.228 146 E C 1.105 177.506 176.600 -0.331 0.000 1.213 146 E CA 0.193 56.514 56.400 -0.132 0.000 0.712 146 E CB -1.955 27.645 29.700 -0.166 0.000 1.202 146 E HN 0.667 nan 8.360 nan 0.000 0.376 147 I N 0.908 121.409 120.570 -0.114 0.000 2.700 147 I HA -0.266 3.910 4.170 0.010 0.000 0.261 147 I C 2.415 178.470 176.117 -0.102 0.000 1.219 147 I CA 1.447 62.686 61.300 -0.102 0.000 1.463 147 I CB -0.053 37.918 38.000 -0.048 0.000 1.092 147 I HN 0.361 nan 8.210 nan 0.000 0.452 148 H N -0.766 118.289 119.070 -0.024 0.000 2.543 148 H HA -0.115 4.447 4.556 0.009 0.000 0.286 148 H C 1.851 177.176 175.328 -0.005 0.000 1.037 148 H CA 0.474 56.510 56.048 -0.020 0.000 1.250 148 H CB -0.492 29.266 29.762 -0.006 0.000 1.373 148 H HN 0.289 nan 8.280 nan 0.000 0.580 149 L N 1.469 122.481 121.223 -0.351 0.000 2.450 149 L HA -0.037 4.309 4.340 0.010 0.000 0.224 149 L C 2.512 179.346 176.870 -0.059 0.000 1.149 149 L CA 0.611 55.339 54.840 -0.187 0.000 0.816 149 L CB -1.064 40.864 42.059 -0.218 0.000 0.932 149 L HN 0.326 nan 8.230 nan 0.000 0.449 150 I N -0.765 119.775 120.570 -0.051 0.000 2.530 150 I HA -0.212 3.964 4.170 0.010 0.000 0.257 150 I C 1.893 178.034 176.117 0.040 0.000 1.179 150 I CA 1.208 62.499 61.300 -0.015 0.000 1.440 150 I CB -0.101 37.859 38.000 -0.067 0.000 1.087 150 I HN 0.316 nan 8.210 nan 0.000 0.440 151 G N -0.177 108.659 108.800 0.061 0.000 3.088 151 G HA2 0.054 4.021 3.960 0.010 0.000 0.212 151 G HA3 0.054 4.021 3.960 0.010 0.000 0.212 151 G C 0.377 175.336 174.900 0.099 0.000 1.173 151 G CA -0.119 45.052 45.100 0.118 0.000 0.779 151 G HN 0.345 nan 8.290 nan 0.000 0.540 152 S N 0.128 115.864 115.700 0.060 0.000 2.499 152 S HA 0.327 4.803 4.470 0.010 0.000 0.279 152 S C 1.288 175.911 174.600 0.038 0.000 1.219 152 S CA -0.721 57.506 58.200 0.045 0.000 1.062 152 S CB 2.200 65.415 63.200 0.024 0.000 0.978 152 S HN 0.270 nan 8.310 nan 0.000 0.489 153 R N 2.992 123.511 120.500 0.031 0.000 2.097 153 R HA -0.144 4.203 4.340 0.010 0.000 0.236 153 R C 1.464 177.770 176.300 0.011 0.000 1.135 153 R CA 2.127 58.238 56.100 0.018 0.000 0.934 153 R CB -0.920 29.383 30.300 0.005 0.000 0.846 153 R HN 0.757 nan 8.270 nan 0.000 0.431 154 D N -0.992 119.415 120.400 0.013 0.000 2.103 154 D HA -0.139 4.507 4.640 0.010 0.000 0.190 154 D C 1.292 177.605 176.300 0.021 0.000 0.997 154 D CA 1.906 55.915 54.000 0.015 0.000 0.833 154 D CB 0.135 40.947 40.800 0.021 0.000 0.961 154 D HN 0.225 nan 8.370 nan 0.000 0.447 155 R N -1.490 119.026 120.500 0.026 0.000 2.509 155 R HA 0.288 4.635 4.340 0.010 0.000 0.297 155 R C 1.806 178.127 176.300 0.034 0.000 0.951 155 R CA 0.264 56.385 56.100 0.036 0.000 1.103 155 R CB 1.024 31.350 30.300 0.043 0.000 1.283 155 R HN 0.073 nan 8.270 nan 0.000 0.534 156 G N 1.139 109.956 108.800 0.028 0.000 2.422 156 G HA2 -0.293 3.673 3.960 0.010 0.000 0.218 156 G HA3 -0.293 3.673 3.960 0.010 0.000 0.218 156 G C 1.499 176.423 174.900 0.041 0.000 1.146 156 G CA 0.965 46.083 45.100 0.030 0.000 0.769 156 G HN 0.344 nan 8.290 nan 0.000 0.547 157 A N 0.327 123.169 122.820 0.036 0.000 1.933 157 A HA -0.027 4.299 4.320 0.010 0.000 0.218 157 A C 2.525 180.145 177.584 0.061 0.000 1.175 157 A CA 2.421 54.479 52.037 0.035 0.000 0.628 157 A CB -0.913 18.089 19.000 0.003 0.000 0.814 157 A HN 0.292 nan 8.150 nan 0.000 0.444 158 T N -0.012 114.584 114.554 0.070 0.000 2.746 158 T HA -0.131 4.225 4.350 0.010 0.000 0.267 158 T C 1.811 176.587 174.700 0.128 0.000 1.039 158 T CA 1.533 63.699 62.100 0.109 0.000 1.142 158 T CB -0.315 68.627 68.868 0.124 0.000 0.866 158 T HN 0.322 nan 8.240 nan 0.000 0.444 159 L N 1.286 122.567 121.223 0.097 0.000 2.093 159 L HA 0.069 4.415 4.340 0.010 0.000 0.208 159 L C 2.401 179.346 176.870 0.126 0.000 1.085 159 L CA 1.798 56.695 54.840 0.095 0.000 0.755 159 L CB -0.663 41.422 42.059 0.043 0.000 0.904 159 L HN 0.256 nan 8.230 nan 0.000 0.435 160 E N -0.946 119.322 120.200 0.114 0.000 2.051 160 E HA -0.201 4.155 4.350 0.010 0.000 0.192 160 E C 2.071 178.804 176.600 0.222 0.000 0.991 160 E CA 1.797 58.289 56.400 0.153 0.000 0.799 160 E CB -0.040 29.694 29.700 0.056 0.000 0.748 160 E HN 0.383 nan 8.360 nan 0.000 0.449 161 V N 2.305 122.326 119.914 0.178 0.000 2.295 161 V HA -0.275 3.851 4.120 0.010 0.000 0.246 161 V C 2.520 178.756 176.094 0.238 0.000 1.049 161 V CA 1.986 64.407 62.300 0.202 0.000 1.024 161 V CB -0.694 31.240 31.823 0.184 0.000 0.648 161 V HN 0.508 nan 8.190 nan 0.000 0.447 162 I N -2.005 118.728 120.570 0.270 0.000 2.454 162 I HA -0.197 3.979 4.170 0.010 0.000 0.254 162 I C 2.234 178.512 176.117 0.268 0.000 1.156 162 I CA 1.687 63.185 61.300 0.330 0.000 1.433 162 I CB -0.495 37.727 38.000 0.370 0.000 1.082 162 I HN 0.199 nan 8.210 nan 0.000 0.432 163 L N 1.415 122.758 121.223 0.200 0.000 2.072 163 L HA -0.053 4.294 4.340 0.010 0.000 0.205 163 L C 3.108 179.999 176.870 0.034 0.000 1.079 163 L CA 1.223 56.124 54.840 0.102 0.000 0.752 163 L CB -0.668 41.472 42.059 0.135 0.000 0.906 163 L HN 0.350 nan 8.230 nan 0.000 0.436 164 A N -0.887 122.014 122.820 0.135 0.000 1.933 164 A HA -0.227 4.099 4.320 0.010 0.000 0.218 164 A C 2.113 179.696 177.584 -0.001 0.000 1.175 164 A CA 1.353 53.400 52.037 0.016 0.000 0.628 164 A CB -0.692 18.256 19.000 -0.086 0.000 0.814 164 A HN 0.394 nan 8.150 nan 0.000 0.444 165 H N -1.173 117.984 119.070 0.144 0.000 2.357 165 H HA -0.014 4.548 4.556 0.010 0.000 0.301 165 H C 1.906 177.268 175.328 0.057 0.000 1.082 165 H CA 1.729 57.833 56.048 0.094 0.000 1.342 165 H CB -0.121 29.639 29.762 -0.002 0.000 1.389 165 H HN 0.351 nan 8.280 nan 0.000 0.511 166 M N 0.334 120.048 119.600 0.189 0.000 2.447 166 M HA 0.043 4.529 4.480 0.010 0.000 0.264 166 M C 0.905 177.210 176.300 0.009 0.000 1.095 166 M CA 0.133 55.503 55.300 0.117 0.000 1.125 166 M CB -0.597 32.093 32.600 0.150 0.000 1.389 166 M HN 0.025 nan 8.290 nan 0.000 0.459 167 L N 0.857 122.036 121.223 -0.073 0.000 2.578 167 L HA 0.047 4.393 4.340 0.010 0.000 0.279 167 L C 1.464 178.269 176.870 -0.107 0.000 1.227 167 L CA 0.813 55.553 54.840 -0.168 0.000 0.900 167 L CB -0.042 41.816 42.059 -0.335 0.000 1.144 167 L HN 0.699 nan 8.230 nan 0.000 0.496 168 G N 2.415 111.152 108.800 -0.105 0.000 2.234 168 G HA2 -0.365 3.601 3.960 0.010 0.000 0.260 168 G HA3 -0.365 3.601 3.960 0.010 0.000 0.260 168 G C 1.053 175.934 174.900 -0.031 0.000 0.987 168 G CA 0.687 45.746 45.100 -0.068 0.000 0.625 168 G HN 0.681 nan 8.290 nan 0.000 0.532 169 K N 0.156 120.547 120.400 -0.015 0.000 2.348 169 K HA 0.668 4.994 4.320 0.010 0.000 0.194 169 K C 0.879 177.486 176.600 0.012 0.000 1.052 169 K CA 1.153 57.447 56.287 0.012 0.000 1.004 169 K CB 0.239 32.765 32.500 0.043 0.000 0.873 169 K HN 1.028 nan 8.250 nan 0.000 0.523 170 A N 0.480 123.297 122.820 -0.005 0.000 2.612 170 A HA 0.261 4.587 4.320 0.010 0.000 0.293 170 A C -1.629 175.930 177.584 -0.040 0.000 1.075 170 A CA -0.715 51.316 52.037 -0.010 0.000 0.680 170 A CB 1.164 20.173 19.000 0.015 0.000 1.279 170 A HN 0.191 nan 8.150 nan 0.000 0.411 171 Q N 0.701 120.474 119.800 -0.045 0.000 2.364 171 Q HA 0.381 4.727 4.340 0.010 0.000 0.267 171 Q C -1.059 174.896 176.000 -0.075 0.000 0.999 171 Q CA 0.169 55.936 55.803 -0.061 0.000 0.886 171 Q CB 0.329 29.034 28.738 -0.055 0.000 1.243 171 Q HN 0.546 nan 8.270 nan 0.000 0.415 172 I N 5.603 126.117 120.570 -0.094 0.000 2.436 172 I HA 0.419 4.595 4.170 0.010 0.000 0.289 172 I C -0.307 175.748 176.117 -0.103 0.000 1.010 172 I CA -0.612 60.623 61.300 -0.109 0.000 1.098 172 I CB 1.407 39.322 38.000 -0.143 0.000 1.266 172 I HN 0.675 nan 8.210 nan 0.000 0.434 173 I N 4.550 125.061 120.570 -0.098 0.000 2.466 173 I HA 0.512 4.688 4.170 0.010 0.000 0.289 173 I C 0.313 176.376 176.117 -0.089 0.000 1.026 173 I CA -0.513 60.737 61.300 -0.083 0.000 1.078 173 I CB 2.422 40.384 38.000 -0.063 0.000 1.249 173 I HN 0.642 nan 8.210 nan 0.000 0.429 174 G N 6.999 115.757 108.800 -0.070 0.000 2.416 174 G HA2 0.680 4.646 3.960 0.010 0.000 0.324 174 G HA3 0.680 4.646 3.960 0.010 0.000 0.324 174 G C -0.866 174.022 174.900 -0.020 0.000 1.194 174 G CA -0.496 44.569 45.100 -0.059 0.000 0.922 174 G HN 0.434 nan 8.290 nan 0.000 0.467 175 L N 2.256 123.475 121.223 -0.007 0.000 2.265 175 L HA 0.559 4.905 4.340 0.010 0.000 0.289 175 L C 0.336 177.267 176.870 0.102 0.000 1.033 175 L CA -0.542 54.327 54.840 0.049 0.000 0.814 175 L CB 1.485 43.584 42.059 0.066 0.000 1.203 175 L HN 0.523 nan 8.230 nan 0.000 0.423 176 S N 2.183 117.953 115.700 0.116 0.000 2.599 176 S HA 0.845 5.321 4.470 0.010 0.000 0.287 176 S C -0.232 174.399 174.600 0.052 0.000 1.105 176 S CA -0.330 57.981 58.200 0.186 0.000 0.899 176 S CB 1.931 65.206 63.200 0.124 0.000 1.100 176 S HN 0.655 nan 8.310 nan 0.000 0.482 177 A N 1.810 124.514 122.820 -0.192 0.000 2.249 177 A HA 0.643 4.969 4.320 0.010 0.000 0.281 177 A C 0.215 177.693 177.584 -0.177 0.000 1.127 177 A CA -0.393 51.454 52.037 -0.317 0.000 0.833 177 A CB -0.408 18.153 19.000 -0.732 0.000 1.140 177 A HN 0.799 nan 8.150 nan 0.000 0.502 178 T N 1.227 115.722 114.554 -0.098 0.000 2.814 178 T HA 0.457 4.813 4.350 0.010 0.000 0.297 178 T C 0.324 174.999 174.700 -0.042 0.000 0.956 178 T CA 0.539 62.624 62.100 -0.024 0.000 1.123 178 T CB -0.524 68.375 68.868 0.052 0.000 0.902 178 T HN 0.542 nan 8.240 nan 0.000 0.528 179 I N -0.744 119.814 120.570 -0.021 0.000 3.294 179 I HA 0.821 4.997 4.170 0.010 0.000 0.311 179 I C 1.265 177.379 176.117 -0.005 0.000 1.111 179 I CA -1.391 59.899 61.300 -0.018 0.000 0.976 179 I CB 1.332 39.330 38.000 -0.003 0.000 1.260 179 I HN 0.563 nan 8.210 nan 0.000 0.474 180 G N 1.214 110.008 108.800 -0.011 0.000 2.453 180 G HA2 -0.085 3.881 3.960 0.010 0.000 0.215 180 G HA3 -0.085 3.881 3.960 0.010 0.000 0.215 180 G C 0.473 175.364 174.900 -0.015 0.000 1.147 180 G CA 0.319 45.412 45.100 -0.013 0.000 0.802 180 G HN 0.769 nan 8.290 nan 0.000 0.535 181 N N 0.362 119.053 118.700 -0.015 0.000 2.818 181 N HA 0.283 5.029 4.740 0.010 0.000 0.301 181 N C -2.443 173.089 175.510 0.037 0.000 1.821 181 N CA -1.713 51.337 53.050 -0.000 0.000 0.930 181 N CB 1.619 40.087 38.487 -0.032 0.000 1.263 181 N HN -0.051 nan 8.380 nan 0.000 0.487 182 P HA -0.192 nan 4.420 nan 0.000 0.214 182 P C 1.451 178.778 177.300 0.045 0.000 1.163 182 P CA 1.728 64.846 63.100 0.030 0.000 0.889 182 P CB 0.324 32.037 31.700 0.022 0.000 0.790 183 E N 0.425 120.655 120.200 0.051 0.000 2.077 183 E HA -0.243 4.113 4.350 0.010 0.000 0.193 183 E C 2.048 178.720 176.600 0.120 0.000 0.989 183 E CA 1.307 57.746 56.400 0.066 0.000 0.800 183 E CB -1.155 28.578 29.700 0.056 0.000 0.746 183 E HN 0.405 nan 8.360 nan 0.000 0.452 184 E N 0.636 120.931 120.200 0.159 0.000 2.085 184 E HA -0.192 4.164 4.350 0.010 0.000 0.194 184 E C 2.188 179.024 176.600 0.393 0.000 0.994 184 E CA 0.970 57.549 56.400 0.298 0.000 0.801 184 E CB -0.058 29.784 29.700 0.236 0.000 0.743 184 E HN 0.197 nan 8.360 nan 0.000 0.453 185 L N 0.576 121.953 121.223 0.257 0.000 2.056 185 L HA -0.029 4.317 4.340 0.010 0.000 0.207 185 L C 2.229 179.120 176.870 0.035 0.000 1.078 185 L CA 2.103 56.975 54.840 0.054 0.000 0.749 185 L CB -0.711 41.277 42.059 -0.118 0.000 0.901 185 L HN 0.181 nan 8.230 nan 0.000 0.433 186 A N -0.779 122.057 122.820 0.026 0.000 1.902 186 A HA -0.234 4.092 4.320 0.010 0.000 0.217 186 A C 2.163 179.723 177.584 -0.039 0.000 1.181 186 A CA 1.800 53.826 52.037 -0.018 0.000 0.623 186 A CB -0.663 18.333 19.000 -0.007 0.000 0.818 186 A HN 0.578 nan 8.150 nan 0.000 0.443 187 E N -1.627 118.577 120.200 0.006 0.000 2.058 187 E HA -0.269 4.088 4.350 0.010 0.000 0.194 187 E C 1.735 178.194 176.600 -0.236 0.000 0.997 187 E CA 1.555 57.933 56.400 -0.038 0.000 0.801 187 E CB -0.289 29.485 29.700 0.123 0.000 0.746 187 E HN 0.852 nan 8.360 nan 0.000 0.450 188 W N 1.128 122.092 121.300 -0.559 0.000 2.363 188 W HA -0.114 4.553 4.660 0.012 0.000 0.296 188 W C 1.355 177.682 176.519 -0.320 0.000 1.212 188 W CA 1.144 58.097 57.345 -0.654 0.000 1.260 188 W CB -0.091 29.160 29.460 -0.349 0.000 1.131 188 W HN -0.018 nan 8.180 nan 0.000 0.530 189 L N 1.333 122.336 121.223 -0.367 0.000 2.599 189 L HA -0.008 4.338 4.340 0.010 0.000 0.230 189 L C 1.166 177.836 176.870 -0.333 0.000 1.141 189 L CA 0.711 55.269 54.840 -0.471 0.000 0.877 189 L CB -1.200 40.692 42.059 -0.278 0.000 1.009 189 L HN 0.162 nan 8.230 nan 0.000 0.447 190 N N 0.648 119.187 118.700 -0.267 0.000 2.714 190 N HA -0.187 4.559 4.740 0.010 0.000 0.253 190 N C -0.292 175.137 175.510 -0.136 0.000 1.024 190 N CA 0.174 53.118 53.050 -0.177 0.000 0.726 190 N CB -0.192 38.182 38.487 -0.188 0.000 0.908 190 N HN 0.401 nan 8.380 nan 0.000 0.542 191 A N 0.634 123.386 122.820 -0.113 0.000 2.423 191 A HA 0.628 4.954 4.320 0.010 0.000 0.304 191 A C -0.409 177.141 177.584 -0.056 0.000 1.104 191 A CA -0.683 51.302 52.037 -0.087 0.000 0.757 191 A CB 1.262 20.205 19.000 -0.096 0.000 1.313 191 A HN 0.339 nan 8.150 nan 0.000 0.423 192 E N 0.160 120.331 120.200 -0.049 0.000 2.354 192 E HA 0.336 4.692 4.350 0.010 0.000 0.269 192 E C -1.167 175.416 176.600 -0.029 0.000 1.036 192 E CA -0.306 56.073 56.400 -0.035 0.000 0.876 192 E CB 1.514 31.192 29.700 -0.036 0.000 1.009 192 E HN 0.444 nan 8.360 nan 0.000 0.416 193 L N 3.742 124.954 121.223 -0.018 0.000 2.313 193 L HA 0.389 4.735 4.340 0.010 0.000 0.283 193 L C -1.140 175.726 176.870 -0.006 0.000 1.013 193 L CA -0.463 54.371 54.840 -0.010 0.000 0.816 193 L CB 0.874 42.933 42.059 -0.000 0.000 1.236 193 L HN 0.320 nan 8.230 nan 0.000 0.419 194 I N 6.327 126.895 120.570 -0.004 0.000 2.390 194 I HA 0.412 4.588 4.170 0.010 0.000 0.283 194 I C -0.709 175.417 176.117 0.015 0.000 1.016 194 I CA -0.257 61.044 61.300 0.001 0.000 1.151 194 I CB 1.715 39.712 38.000 -0.004 0.000 1.293 194 I HN 0.230 nan 8.210 nan 0.000 0.458 195 V N 4.874 124.800 119.914 0.020 0.000 2.409 195 V HA 0.750 4.876 4.120 0.010 0.000 0.291 195 V C -0.105 176.014 176.094 0.042 0.000 1.020 195 V CA -0.299 62.019 62.300 0.030 0.000 0.848 195 V CB 1.631 33.470 31.823 0.026 0.000 0.990 195 V HN 0.732 nan 8.190 nan 0.000 0.430 196 S N 2.175 117.911 115.700 0.059 0.000 2.579 196 S HA 0.472 4.948 4.470 0.010 0.000 0.272 196 S C -0.328 174.332 174.600 0.099 0.000 1.141 196 S CA -0.365 57.887 58.200 0.087 0.000 0.843 196 S CB 2.123 65.388 63.200 0.109 0.000 1.122 196 S HN 0.912 nan 8.310 nan 0.000 0.468 197 D N 0.628 121.098 120.400 0.116 0.000 2.469 197 D HA 0.012 4.658 4.640 0.010 0.000 0.215 197 D C 0.129 176.490 176.300 0.100 0.000 1.154 197 D CA -0.343 53.706 54.000 0.081 0.000 0.832 197 D CB -0.102 40.723 40.800 0.043 0.000 1.008 197 D HN 0.492 nan 8.370 nan 0.000 0.506 198 W N 3.539 124.828 121.300 -0.018 0.000 2.216 198 W HA 0.174 4.840 4.660 0.010 0.000 0.326 198 W C 0.358 176.835 176.519 -0.070 0.000 1.319 198 W CA -0.138 57.186 57.345 -0.035 0.000 1.213 198 W CB 0.687 30.136 29.460 -0.018 0.000 1.171 198 W HN -0.082 nan 8.180 nan 0.000 0.557 199 R N 4.840 124.902 120.500 -0.729 0.000 2.774 199 R HA 0.482 4.829 4.340 0.010 0.000 0.272 199 R C -2.537 172.880 176.300 -1.471 0.000 1.000 199 R CA -1.727 53.951 56.100 -0.703 0.000 0.906 199 R CB 1.415 31.498 30.300 -0.361 0.000 1.227 199 R HN 0.148 nan 8.270 nan 0.000 0.468 200 P HA -0.051 nan 4.420 nan 0.000 0.218 200 P C -0.122 176.910 177.300 -0.446 0.000 1.149 200 P CA 0.600 63.257 63.100 -0.740 0.000 0.817 200 P CB 0.318 31.747 31.700 -0.451 0.000 0.785 201 V N -1.152 118.547 119.914 -0.358 0.000 2.487 201 V HA 0.499 4.625 4.120 0.010 0.000 0.298 201 V C 0.458 176.416 176.094 -0.226 0.000 1.028 201 V CA -1.389 60.783 62.300 -0.214 0.000 0.860 201 V CB 0.969 32.733 31.823 -0.098 0.000 0.991 201 V HN -0.112 nan 8.190 nan 0.000 0.427 202 K N 3.617 123.901 120.400 -0.194 0.000 2.511 202 K HA 0.315 4.642 4.320 0.010 0.000 0.280 202 K C -0.701 175.823 176.600 -0.125 0.000 1.008 202 K CA 0.277 56.460 56.287 -0.172 0.000 1.050 202 K CB 0.027 32.450 32.500 -0.129 0.000 0.889 202 K HN 0.712 nan 8.250 nan 0.000 0.484 203 L N 1.979 123.129 121.223 -0.122 0.000 2.296 203 L HA 0.531 4.877 4.340 0.010 0.000 0.286 203 L C 0.115 176.946 176.870 -0.064 0.000 1.023 203 L CA -0.634 54.156 54.840 -0.084 0.000 0.812 203 L CB 1.807 43.819 42.059 -0.078 0.000 1.223 203 L HN 0.781 nan 8.230 nan 0.000 0.421 204 R N 4.792 125.254 120.500 -0.062 0.000 2.295 204 R HA 0.588 4.935 4.340 0.010 0.000 0.324 204 R C -0.901 175.490 176.300 0.153 0.000 0.968 204 R CA -0.586 55.484 56.100 -0.050 0.000 0.837 204 R CB 0.809 30.921 30.300 -0.314 0.000 1.133 204 R HN 0.725 nan 8.270 nan 0.000 0.450 205 R N 2.082 122.731 120.500 0.247 0.000 2.589 205 R HA 0.622 4.968 4.340 0.010 0.000 0.293 205 R C -0.414 176.122 176.300 0.394 0.000 0.963 205 R CA -0.785 55.478 56.100 0.271 0.000 0.905 205 R CB 2.235 32.597 30.300 0.104 0.000 1.144 205 R HN 0.775 nan 8.270 nan 0.000 0.459 206 G N 0.465 109.370 108.800 0.175 0.000 2.649 206 G HA2 0.494 4.460 3.960 0.010 0.000 0.290 206 G HA3 0.494 4.460 3.960 0.010 0.000 0.290 206 G C -1.670 173.116 174.900 -0.189 0.000 1.426 206 G CA -0.478 44.555 45.100 -0.113 0.000 0.794 206 G HN 0.306 nan 8.290 nan 0.000 0.483 207 V N 0.597 120.383 119.914 -0.212 0.000 2.487 207 V HA 0.537 4.663 4.120 0.010 0.000 0.298 207 V C -0.927 175.125 176.094 -0.071 0.000 1.028 207 V CA -0.667 61.571 62.300 -0.105 0.000 0.860 207 V CB 1.424 33.201 31.823 -0.077 0.000 0.991 207 V HN 0.689 nan 8.190 nan 0.000 0.427 208 F N 5.779 125.667 119.950 -0.104 0.000 2.394 208 F HA 0.706 5.238 4.527 0.009 0.000 0.340 208 F C -0.959 174.925 175.800 0.139 0.000 1.105 208 F CA -0.405 57.579 58.000 -0.027 0.000 1.124 208 F CB 0.934 39.902 39.000 -0.054 0.000 1.145 208 F HN 0.534 nan 8.300 nan 0.000 0.505 209 Y N 5.157 124.955 120.300 -0.838 0.000 2.348 209 Y HA 0.199 4.754 4.550 0.008 0.000 0.321 209 Y C -0.795 174.772 175.900 -0.555 0.000 1.163 209 Y CA -1.200 56.619 58.100 -0.469 0.000 1.070 209 Y CB 1.062 39.418 38.460 -0.174 0.000 1.250 209 Y HN 0.759 nan 8.280 nan 0.000 0.425 210 Q N 4.832 124.138 119.800 -0.823 0.000 2.413 210 Q HA -0.250 4.096 4.340 0.010 0.000 0.364 210 Q C 1.086 176.847 176.000 -0.398 0.000 1.359 210 Q CA 1.485 56.956 55.803 -0.552 0.000 1.097 210 Q CB -1.528 26.816 28.738 -0.655 0.000 1.286 210 Q HN 1.493 nan 8.270 nan 0.000 0.358 211 G N -0.953 107.560 108.800 -0.477 0.000 2.241 211 G HA2 -0.299 3.667 3.960 0.010 0.000 0.244 211 G HA3 -0.299 3.667 3.960 0.010 0.000 0.244 211 G C -0.174 174.255 174.900 -0.785 0.000 0.998 211 G CA 0.112 44.921 45.100 -0.485 0.000 0.621 211 G HN 0.411 nan 8.290 nan 0.000 0.519 212 F N -0.531 119.193 119.950 -0.377 0.000 2.599 212 F HA 0.701 5.234 4.527 0.010 0.000 0.311 212 F C 0.027 175.679 175.800 -0.247 0.000 1.076 212 F CA -1.174 56.741 58.000 -0.141 0.000 0.937 212 F CB 2.386 41.345 39.000 -0.069 0.000 1.282 212 F HN 0.004 nan 8.300 nan 0.000 0.460 213 V N 1.455 121.479 119.914 0.183 0.000 2.398 213 V HA 0.451 4.578 4.120 0.010 0.000 0.286 213 V C -0.449 175.488 176.094 -0.262 0.000 1.026 213 V CA -0.481 61.750 62.300 -0.114 0.000 0.868 213 V CB 1.744 33.397 31.823 -0.283 0.000 0.982 213 V HN 0.797 nan 8.190 nan 0.000 0.443 214 T N 4.893 119.276 114.554 -0.286 0.000 2.758 214 T HA 0.400 4.756 4.350 0.010 0.000 0.285 214 T C -0.409 174.131 174.700 -0.268 0.000 0.981 214 T CA -0.210 61.778 62.100 -0.185 0.000 0.965 214 T CB 0.454 69.281 68.868 -0.068 0.000 0.927 214 T HN 0.553 nan 8.240 nan 0.000 0.448 215 W N 1.828 123.187 121.300 0.098 0.000 2.141 215 W HA 0.270 4.937 4.660 0.011 0.000 0.354 215 W C 1.901 178.472 176.519 0.088 0.000 1.297 215 W CA -0.894 56.501 57.345 0.084 0.000 1.380 215 W CB 0.527 30.041 29.460 0.090 0.000 1.168 215 W HN 0.756 nan 8.180 nan 0.000 0.639 216 E N 0.143 120.563 120.200 0.367 0.000 2.265 216 E HA -0.267 4.089 4.350 0.010 0.000 0.196 216 E C 0.942 177.752 176.600 0.350 0.000 0.996 216 E CA 1.675 58.276 56.400 0.336 0.000 0.832 216 E CB -0.398 29.502 29.700 0.333 0.000 0.756 216 E HN 0.591 nan 8.360 nan 0.000 0.491 217 D N -0.148 120.423 120.400 0.285 0.000 2.340 217 D HA 0.063 4.709 4.640 0.010 0.000 0.220 217 D C 1.390 177.799 176.300 0.183 0.000 1.039 217 D CA 0.730 54.848 54.000 0.196 0.000 0.866 217 D CB 0.401 41.283 40.800 0.138 0.000 0.913 217 D HN 0.361 nan 8.370 nan 0.000 0.523 218 G N 0.089 109.020 108.800 0.218 0.000 2.213 218 G HA2 -0.281 3.685 3.960 0.010 0.000 0.236 218 G HA3 -0.281 3.685 3.960 0.010 0.000 0.236 218 G C 0.456 175.453 174.900 0.162 0.000 0.991 218 G CA 0.355 45.554 45.100 0.165 0.000 0.629 218 G HN 0.827 nan 8.290 nan 0.000 0.517 219 S N 0.619 116.458 115.700 0.231 0.000 2.614 219 S HA 0.762 5.238 4.470 0.010 0.000 0.265 219 S C 0.132 174.915 174.600 0.305 0.000 1.303 219 S CA -0.342 58.007 58.200 0.249 0.000 1.000 219 S CB 1.661 65.018 63.200 0.262 0.000 0.935 219 S HN 0.593 nan 8.310 nan 0.000 0.551 220 I N 1.109 121.828 120.570 0.247 0.000 2.689 220 I HA 0.559 4.735 4.170 0.010 0.000 0.299 220 I C -0.647 175.664 176.117 0.324 0.000 1.059 220 I CA -0.616 60.816 61.300 0.220 0.000 1.055 220 I CB 1.927 39.960 38.000 0.055 0.000 1.243 220 I HN 0.720 nan 8.210 nan 0.000 0.425 221 D N 2.928 123.572 120.400 0.405 0.000 2.896 221 D HA 0.269 4.916 4.640 0.010 0.000 0.241 221 D C -0.598 175.955 176.300 0.422 0.000 1.188 221 D CA -0.607 53.645 54.000 0.421 0.000 0.879 221 D CB 2.916 44.108 40.800 0.652 0.000 1.553 221 D HN 0.345 nan 8.370 nan 0.000 0.515 222 R N 1.692 122.299 120.500 0.178 0.000 2.340 222 R HA 0.457 4.803 4.340 0.010 0.000 0.300 222 R C -1.561 174.533 176.300 -0.343 0.000 1.069 222 R CA 0.171 56.262 56.100 -0.014 0.000 0.984 222 R CB 0.082 30.382 30.300 0.001 0.000 1.003 222 R HN 0.261 nan 8.270 nan 0.000 0.459 223 F N 3.390 123.325 119.950 -0.025 0.000 2.831 223 F HA 0.161 4.695 4.527 0.011 0.000 0.346 223 F C 1.184 177.018 175.800 0.057 0.000 1.224 223 F CA -0.389 57.659 58.000 0.080 0.000 1.048 223 F CB 1.793 40.918 39.000 0.209 0.000 1.339 223 F HN 0.794 nan 8.300 nan 0.000 0.514 224 S N 0.805 116.567 115.700 0.102 0.000 2.389 224 S HA -0.174 4.303 4.470 0.010 0.000 0.231 224 S C 0.762 175.441 174.600 0.133 0.000 1.052 224 S CA 1.457 59.684 58.200 0.045 0.000 1.053 224 S CB -0.407 62.803 63.200 0.018 0.000 0.886 224 S HN 0.680 nan 8.310 nan 0.000 0.456 225 S N -0.386 115.391 115.700 0.128 0.000 2.618 225 S HA 0.496 4.972 4.470 0.010 0.000 0.277 225 S C 0.545 174.955 174.600 -0.316 0.000 1.138 225 S CA -0.460 57.755 58.200 0.024 0.000 0.844 225 S CB 0.453 63.588 63.200 -0.108 0.000 1.127 225 S HN 0.622 nan 8.310 nan 0.000 0.474 226 W N 2.105 122.981 121.300 -0.705 0.000 2.342 226 W HA -0.107 4.562 4.660 0.015 0.000 0.297 226 W C 1.088 177.231 176.519 -0.626 0.000 1.213 226 W CA 1.819 58.510 57.345 -1.091 0.000 1.251 226 W CB -1.029 27.878 29.460 -0.923 0.000 1.136 226 W HN 0.909 nan 8.180 nan 0.000 0.526 227 E N 0.807 120.073 120.200 -1.557 0.000 2.265 227 E HA -0.221 4.135 4.350 0.010 0.000 0.196 227 E C 1.552 177.465 176.600 -1.145 0.000 0.996 227 E CA 1.109 56.540 56.400 -1.616 0.000 0.832 227 E CB -0.792 27.978 29.700 -1.550 0.000 0.756 227 E HN 0.294 nan 8.360 nan 0.000 0.491 228 E N 1.079 120.926 120.200 -0.589 0.000 2.209 228 E HA -0.082 4.274 4.350 0.010 0.000 0.196 228 E C 2.298 178.836 176.600 -0.103 0.000 0.993 228 E CA 0.414 56.720 56.400 -0.157 0.000 0.819 228 E CB -0.252 29.552 29.700 0.174 0.000 0.745 228 E HN 0.394 nan 8.360 nan 0.000 0.477 229 L N -0.054 120.973 121.223 -0.327 0.000 2.083 229 L HA -0.175 4.171 4.340 0.010 0.000 0.209 229 L C 2.412 179.181 176.870 -0.169 0.000 1.083 229 L CA 0.735 55.365 54.840 -0.349 0.000 0.752 229 L CB -0.381 41.401 42.059 -0.463 0.000 0.899 229 L HN 0.005 nan 8.230 nan 0.000 0.433 230 V N -1.313 118.415 119.914 -0.309 0.000 2.346 230 V HA -0.265 3.861 4.120 0.010 0.000 0.244 230 V C 2.134 178.205 176.094 -0.039 0.000 1.037 230 V CA 1.533 63.708 62.300 -0.209 0.000 1.029 230 V CB -0.680 30.927 31.823 -0.359 0.000 0.663 230 V HN 0.335 nan 8.190 nan 0.000 0.454 231 Y N 0.525 120.813 120.300 -0.020 0.000 2.181 231 Y HA -0.279 4.278 4.550 0.011 0.000 0.288 231 Y C 2.561 178.499 175.900 0.063 0.000 1.146 231 Y CA 1.342 59.446 58.100 0.006 0.000 1.164 231 Y CB -0.308 38.139 38.460 -0.021 0.000 0.982 231 Y HN 0.342 nan 8.280 nan 0.000 0.515 232 D N 0.350 120.901 120.400 0.252 0.000 2.117 232 D HA -0.192 4.454 4.640 0.010 0.000 0.197 232 D C 2.187 178.628 176.300 0.235 0.000 0.987 232 D CA 1.418 55.574 54.000 0.260 0.000 0.829 232 D CB -0.178 40.858 40.800 0.394 0.000 0.961 232 D HN 0.242 nan 8.370 nan 0.000 0.460 233 A N 0.162 123.134 122.820 0.254 0.000 1.877 233 A HA -0.108 4.218 4.320 0.010 0.000 0.216 233 A C 2.454 180.137 177.584 0.165 0.000 1.186 233 A CA 1.255 53.472 52.037 0.300 0.000 0.620 233 A CB -0.811 18.412 19.000 0.372 0.000 0.822 233 A HN 0.393 nan 8.150 nan 0.000 0.443 234 I N -1.460 119.200 120.570 0.149 0.000 2.315 234 I HA -0.212 3.964 4.170 0.010 0.000 0.248 234 I C 2.693 178.851 176.117 0.069 0.000 1.117 234 I CA 1.404 62.765 61.300 0.102 0.000 1.404 234 I CB -0.264 37.809 38.000 0.122 0.000 1.071 234 I HN 0.256 nan 8.210 nan 0.000 0.419 235 R N 1.387 121.941 120.500 0.090 0.000 2.127 235 R HA -0.134 4.212 4.340 0.010 0.000 0.238 235 R C 1.577 177.895 176.300 0.030 0.000 1.134 235 R CA 1.269 57.404 56.100 0.059 0.000 0.975 235 R CB -0.009 30.339 30.300 0.081 0.000 0.865 235 R HN 0.247 nan 8.270 nan 0.000 0.447 236 K N 0.004 120.420 120.400 0.026 0.000 2.504 236 K HA 0.094 4.420 4.320 0.010 0.000 0.199 236 K C 0.300 176.857 176.600 -0.070 0.000 1.028 236 K CA 0.655 56.922 56.287 -0.033 0.000 1.164 236 K CB 0.733 33.190 32.500 -0.071 0.000 0.877 236 K HN 0.192 nan 8.250 nan 0.000 0.508 237 K N 1.149 121.525 120.400 -0.041 0.000 3.069 237 K HA -0.264 4.062 4.320 0.010 0.000 0.267 237 K C -0.295 176.245 176.600 -0.101 0.000 1.082 237 K CA 1.948 58.197 56.287 -0.063 0.000 0.782 237 K CB -2.639 29.822 32.500 -0.066 0.000 1.230 237 K HN 0.411 nan 8.250 nan 0.000 0.488 238 K N -1.916 118.439 120.400 -0.075 0.000 2.279 238 K HA 0.791 5.117 4.320 0.010 0.000 0.238 238 K C 0.868 177.493 176.600 0.042 0.000 1.084 238 K CA -0.543 55.703 56.287 -0.069 0.000 0.885 238 K CB 2.180 34.584 32.500 -0.161 0.000 1.319 238 K HN 0.404 nan 8.250 nan 0.000 0.494 239 G N -0.595 108.265 108.800 0.099 0.000 2.735 239 G HA2 0.764 4.731 3.960 0.010 0.000 0.301 239 G HA3 0.764 4.731 3.960 0.010 0.000 0.301 239 G C -1.638 173.394 174.900 0.221 0.000 1.279 239 G CA -0.741 44.443 45.100 0.138 0.000 1.019 239 G HN 0.560 nan 8.290 nan 0.000 0.497 240 A N -0.875 122.087 122.820 0.238 0.000 2.520 240 A HA 0.660 4.986 4.320 0.010 0.000 0.298 240 A C -1.880 175.772 177.584 0.113 0.000 1.051 240 A CA -0.509 51.614 52.037 0.145 0.000 0.690 240 A CB 2.027 21.069 19.000 0.070 0.000 1.281 240 A HN 1.403 nan 8.150 nan 0.000 0.402 241 L N 2.673 123.880 121.223 -0.027 0.000 2.342 241 L HA 0.766 5.112 4.340 0.010 0.000 0.276 241 L C -1.580 175.025 176.870 -0.443 0.000 0.997 241 L CA -0.482 54.190 54.840 -0.280 0.000 0.838 241 L CB 0.790 42.688 42.059 -0.270 0.000 1.224 241 L HN 0.506 nan 8.230 nan 0.000 0.416 242 I N 5.792 126.109 120.570 -0.423 0.000 2.336 242 I HA 0.395 4.571 4.170 0.010 0.000 0.292 242 I C -0.591 175.262 176.117 -0.439 0.000 0.991 242 I CA 0.091 61.193 61.300 -0.331 0.000 1.227 242 I CB 1.015 38.972 38.000 -0.071 0.000 1.366 242 I HN 0.378 nan 8.210 nan 0.000 0.466 243 F N 6.265 126.157 119.950 -0.096 0.000 2.415 243 F HA 0.647 5.180 4.527 0.010 0.000 0.348 243 F C 0.252 175.985 175.800 -0.112 0.000 1.119 243 F CA -0.857 57.093 58.000 -0.084 0.000 1.069 243 F CB 1.473 40.424 39.000 -0.083 0.000 1.124 243 F HN 0.263 nan 8.300 nan 0.000 0.472 244 V N 0.242 120.237 119.914 0.136 0.000 3.001 244 V HA 0.464 4.590 4.120 0.010 0.000 0.314 244 V C 0.023 176.153 176.094 0.060 0.000 1.099 244 V CA -0.960 61.365 62.300 0.041 0.000 0.989 244 V CB 1.831 33.659 31.823 0.009 0.000 1.040 244 V HN 0.691 nan 8.190 nan 0.000 0.434 245 N N 2.028 120.743 118.700 0.026 0.000 2.171 245 N HA 0.015 4.761 4.740 0.010 0.000 0.184 245 N C 0.514 176.036 175.510 0.020 0.000 1.021 245 N CA 1.354 54.420 53.050 0.026 0.000 0.854 245 N CB -0.315 38.187 38.487 0.025 0.000 0.994 245 N HN 0.626 nan 8.380 nan 0.000 0.426 246 M N 0.146 119.749 119.600 0.006 0.000 2.578 246 M HA 0.382 4.868 4.480 0.010 0.000 0.321 246 M C 1.029 177.297 176.300 -0.053 0.000 1.182 246 M CA -0.509 54.776 55.300 -0.024 0.000 0.965 246 M CB 1.963 34.544 32.600 -0.031 0.000 1.694 246 M HN 0.012 nan 8.290 nan 0.000 0.461 247 R N 0.240 120.655 120.500 -0.140 0.000 2.073 247 R HA -0.118 4.228 4.340 0.010 0.000 0.234 247 R C 1.792 177.939 176.300 -0.255 0.000 1.134 247 R CA 1.435 57.341 56.100 -0.324 0.000 0.952 247 R CB -0.144 29.764 30.300 -0.653 0.000 0.850 247 R HN 0.453 nan 8.270 nan 0.000 0.433 248 R N 1.230 121.616 120.500 -0.190 0.000 2.115 248 R HA -0.077 4.269 4.340 0.010 0.000 0.230 248 R C 1.967 178.207 176.300 -0.100 0.000 1.111 248 R CA 1.440 57.452 56.100 -0.147 0.000 0.976 248 R CB -0.210 30.032 30.300 -0.097 0.000 0.870 248 R HN 0.109 nan 8.270 nan 0.000 0.445 249 K N -0.540 119.824 120.400 -0.061 0.000 2.057 249 K HA -0.030 4.296 4.320 0.010 0.000 0.206 249 K C 1.821 178.418 176.600 -0.005 0.000 1.050 249 K CA 1.281 57.556 56.287 -0.021 0.000 0.935 249 K CB -0.144 32.351 32.500 -0.008 0.000 0.715 249 K HN 0.148 nan 8.250 nan 0.000 0.439 250 A N 1.419 124.238 122.820 -0.000 0.000 1.908 250 A HA -0.232 4.094 4.320 0.010 0.000 0.218 250 A C 1.833 179.432 177.584 0.025 0.000 1.181 250 A CA 1.952 54.026 52.037 0.062 0.000 0.627 250 A CB -0.524 18.571 19.000 0.158 0.000 0.818 250 A HN 0.522 nan 8.150 nan 0.000 0.445 251 E N -0.608 119.484 120.200 -0.181 0.000 2.046 251 E HA -0.142 4.214 4.350 0.010 0.000 0.190 251 E C 2.345 178.892 176.600 -0.088 0.000 0.982 251 E CA 0.965 57.129 56.400 -0.392 0.000 0.800 251 E CB -0.199 29.052 29.700 -0.749 0.000 0.756 251 E HN 0.531 nan 8.360 nan 0.000 0.449 252 R N 0.588 121.055 120.500 -0.055 0.000 2.091 252 R HA -0.109 4.237 4.340 0.010 0.000 0.238 252 R C 2.412 178.750 176.300 0.063 0.000 1.136 252 R CA 1.235 57.340 56.100 0.009 0.000 0.959 252 R CB -0.415 29.890 30.300 0.008 0.000 0.856 252 R HN 0.067 nan 8.270 nan 0.000 0.437 253 V N 0.897 120.864 119.914 0.090 0.000 2.667 253 V HA -0.168 3.958 4.120 0.010 0.000 0.252 253 V C 2.353 178.536 176.094 0.148 0.000 1.065 253 V CA 1.711 64.101 62.300 0.151 0.000 1.083 253 V CB -0.440 31.506 31.823 0.206 0.000 0.692 253 V HN 0.388 nan 8.190 nan 0.000 0.468 254 A N -0.193 122.717 122.820 0.150 0.000 1.930 254 A HA -0.148 4.178 4.320 0.010 0.000 0.217 254 A C 2.124 179.798 177.584 0.150 0.000 1.175 254 A CA 1.805 53.947 52.037 0.175 0.000 0.627 254 A CB -0.442 18.737 19.000 0.299 0.000 0.815 254 A HN 0.437 nan 8.150 nan 0.000 0.443 255 L N 0.147 121.452 121.223 0.138 0.000 2.027 255 L HA -0.113 4.233 4.340 0.010 0.000 0.206 255 L C 2.319 179.239 176.870 0.083 0.000 1.074 255 L CA 2.603 57.508 54.840 0.108 0.000 0.745 255 L CB -0.673 41.441 42.059 0.091 0.000 0.898 255 L HN 0.619 nan 8.230 nan 0.000 0.433 256 E N -0.336 119.912 120.200 0.080 0.000 2.033 256 E HA -0.274 4.082 4.350 0.010 0.000 0.199 256 E C 2.215 178.866 176.600 0.084 0.000 1.011 256 E CA 2.245 58.686 56.400 0.069 0.000 0.815 256 E CB -0.358 29.384 29.700 0.070 0.000 0.755 256 E HN 0.562 nan 8.360 nan 0.000 0.451 257 L N 0.984 122.267 121.223 0.102 0.000 1.971 257 L HA -0.250 4.097 4.340 0.010 0.000 0.215 257 L C 2.972 179.931 176.870 0.148 0.000 1.072 257 L CA 1.762 56.701 54.840 0.164 0.000 0.758 257 L CB -0.875 41.247 42.059 0.106 0.000 0.889 257 L HN 0.310 nan 8.230 nan 0.000 0.433 258 S N -0.360 115.400 115.700 0.100 0.000 2.423 258 S HA -0.275 4.201 4.470 0.010 0.000 0.238 258 S C 1.893 176.510 174.600 0.028 0.000 1.028 258 S CA 1.518 59.758 58.200 0.066 0.000 1.000 258 S CB -0.432 62.807 63.200 0.064 0.000 0.797 258 S HN 0.381 nan 8.310 nan 0.000 0.487 259 K N 0.524 120.937 120.400 0.021 0.000 2.148 259 K HA 0.045 4.371 4.320 0.010 0.000 0.204 259 K C 1.820 178.374 176.600 -0.076 0.000 1.050 259 K CA 1.262 57.540 56.287 -0.015 0.000 0.942 259 K CB -0.017 32.480 32.500 -0.006 0.000 0.724 259 K HN 0.222 nan 8.250 nan 0.000 0.446 260 K N -0.360 119.956 120.400 -0.140 0.000 2.352 260 K HA 0.071 4.397 4.320 0.010 0.000 0.194 260 K C 1.552 177.969 176.600 -0.306 0.000 1.038 260 K CA 0.220 56.305 56.287 -0.337 0.000 1.023 260 K CB 0.488 32.527 32.500 -0.767 0.000 0.840 260 K HN -0.124 nan 8.250 nan 0.000 0.519 261 V N 0.973 120.810 119.914 -0.130 0.000 2.453 261 V HA -0.146 3.980 4.120 0.010 0.000 0.247 261 V C 2.205 178.278 176.094 -0.034 0.000 1.048 261 V CA 1.364 63.643 62.300 -0.035 0.000 1.049 261 V CB -0.270 31.594 31.823 0.067 0.000 0.672 261 V HN 0.278 nan 8.190 nan 0.000 0.457 262 K N 1.136 121.516 120.400 -0.033 0.000 2.113 262 K HA -0.215 4.111 4.320 0.010 0.000 0.208 262 K C 2.162 178.740 176.600 -0.036 0.000 1.047 262 K CA 1.899 58.172 56.287 -0.025 0.000 0.928 262 K CB -0.229 32.260 32.500 -0.020 0.000 0.716 262 K HN 0.631 nan 8.250 nan 0.000 0.446 263 S N 0.034 115.699 115.700 -0.058 0.000 2.603 263 S HA -0.001 4.476 4.470 0.010 0.000 0.229 263 S C 1.331 175.900 174.600 -0.052 0.000 0.972 263 S CA 0.325 58.491 58.200 -0.057 0.000 0.935 263 S CB -0.133 63.022 63.200 -0.074 0.000 0.769 263 S HN 0.304 nan 8.310 nan 0.000 0.536 264 L N 0.506 121.700 121.223 -0.047 0.000 2.728 264 L HA 0.471 4.817 4.340 0.010 0.000 0.238 264 L C -0.217 176.644 176.870 -0.015 0.000 1.143 264 L CA -0.147 54.675 54.840 -0.030 0.000 0.937 264 L CB -0.004 42.041 42.059 -0.023 0.000 1.225 264 L HN 0.227 nan 8.230 nan 0.000 0.507 265 L N 0.354 121.567 121.223 -0.016 0.000 2.322 265 L HA 0.373 4.719 4.340 0.010 0.000 0.279 265 L C 0.903 177.765 176.870 -0.012 0.000 1.036 265 L CA -0.529 54.305 54.840 -0.010 0.000 0.807 265 L CB 1.670 43.725 42.059 -0.007 0.000 1.226 265 L HN 0.114 nan 8.230 nan 0.000 0.433 266 T N -1.553 112.994 114.554 -0.012 0.000 2.748 266 T HA 0.036 4.393 4.350 0.010 0.000 0.304 266 T C 0.972 175.666 174.700 -0.011 0.000 1.041 266 T CA -0.486 61.607 62.100 -0.012 0.000 1.033 266 T CB 1.105 69.966 68.868 -0.013 0.000 0.995 266 T HN 0.590 nan 8.240 nan 0.000 0.536 267 K N 1.414 121.808 120.400 -0.010 0.000 2.032 267 K HA 0.006 4.332 4.320 0.010 0.000 0.209 267 K C -0.922 175.674 176.600 -0.008 0.000 1.048 267 K CA 1.277 57.558 56.287 -0.009 0.000 0.927 267 K CB -1.492 31.004 32.500 -0.008 0.000 0.712 267 K HN 0.469 nan 8.250 nan 0.000 0.441 268 P HA -0.129 nan 4.420 nan 0.000 0.211 268 P C 0.630 177.925 177.300 -0.008 0.000 1.179 268 P CA 1.503 64.598 63.100 -0.008 0.000 0.910 268 P CB -0.027 31.668 31.700 -0.009 0.000 0.785 269 E N -0.618 119.576 120.200 -0.010 0.000 2.200 269 E HA -0.246 4.110 4.350 0.010 0.000 0.211 269 E C 1.971 178.567 176.600 -0.006 0.000 1.048 269 E CA 1.272 57.667 56.400 -0.009 0.000 0.851 269 E CB -0.737 28.957 29.700 -0.010 0.000 0.747 269 E HN 0.250 nan 8.360 nan 0.000 0.462 270 I N 0.019 120.585 120.570 -0.006 0.000 2.226 270 I HA -0.301 3.875 4.170 0.010 0.000 0.245 270 I C 2.968 179.082 176.117 -0.004 0.000 1.100 270 I CA 1.536 62.834 61.300 -0.005 0.000 1.374 270 I CB -0.406 37.591 38.000 -0.006 0.000 1.057 270 I HN 0.135 nan 8.210 nan 0.000 0.413 271 R N 0.766 121.263 120.500 -0.005 0.000 2.148 271 R HA 0.110 4.456 4.340 0.010 0.000 0.223 271 R C 2.240 178.537 176.300 -0.004 0.000 1.088 271 R CA 1.265 57.362 56.100 -0.004 0.000 0.985 271 R CB -1.411 28.886 30.300 -0.004 0.000 0.880 271 R HN 0.502 nan 8.270 nan 0.000 0.451 272 A N 0.835 123.653 122.820 -0.005 0.000 1.897 272 A HA 0.121 4.447 4.320 0.010 0.000 0.215 272 A C 2.412 179.993 177.584 -0.004 0.000 1.181 272 A CA 1.209 53.243 52.037 -0.004 0.000 0.620 272 A CB -0.215 18.782 19.000 -0.006 0.000 0.821 272 A HN 0.426 nan 8.150 nan 0.000 0.443 273 L N -0.113 121.108 121.223 -0.003 0.000 2.083 273 L HA -0.194 4.152 4.340 0.010 0.000 0.209 273 L C 2.383 179.250 176.870 -0.004 0.000 1.083 273 L CA 1.028 55.866 54.840 -0.003 0.000 0.752 273 L CB -0.592 41.467 42.059 0.000 0.000 0.899 273 L HN 0.423 nan 8.230 nan 0.000 0.433 274 N N -0.164 118.534 118.700 -0.003 0.000 2.084 274 N HA -0.174 4.572 4.740 0.010 0.000 0.190 274 N C 1.726 177.234 175.510 -0.003 0.000 1.030 274 N CA 1.201 54.250 53.050 -0.002 0.000 0.849 274 N CB -0.065 38.421 38.487 -0.001 0.000 1.012 274 N HN 0.342 nan 8.380 nan 0.000 0.423 275 E N 0.929 121.127 120.200 -0.003 0.000 2.118 275 E HA -0.148 4.208 4.350 0.010 0.000 0.195 275 E C 2.046 178.643 176.600 -0.005 0.000 0.992 275 E CA 0.454 56.852 56.400 -0.004 0.000 0.804 275 E CB -0.320 29.378 29.700 -0.003 0.000 0.741 275 E HN 0.221 nan 8.360 nan 0.000 0.458 276 L N 0.891 122.110 121.223 -0.007 0.000 2.023 276 L HA -0.030 4.316 4.340 0.010 0.000 0.205 276 L C 2.289 179.150 176.870 -0.015 0.000 1.073 276 L CA 1.888 56.722 54.840 -0.011 0.000 0.745 276 L CB -0.911 41.141 42.059 -0.011 0.000 0.900 276 L HN 0.043 nan 8.230 nan 0.000 0.435 277 A N -1.030 121.782 122.820 -0.014 0.000 1.978 277 A HA -0.224 4.102 4.320 0.010 0.000 0.220 277 A C 1.967 179.546 177.584 -0.008 0.000 1.170 277 A CA 1.924 53.952 52.037 -0.015 0.000 0.636 277 A CB -0.710 18.284 19.000 -0.009 0.000 0.810 277 A HN 0.532 nan 8.150 nan 0.000 0.448 278 D N 0.007 120.405 120.400 -0.004 0.000 2.183 278 D HA -0.096 4.550 4.640 0.010 0.000 0.203 278 D C 2.196 178.496 176.300 -0.001 0.000 0.969 278 D CA 1.584 55.584 54.000 -0.000 0.000 0.842 278 D CB -0.302 40.498 40.800 0.001 0.000 0.957 278 D HN 0.591 nan 8.370 nan 0.000 0.484 279 S N -0.018 115.679 115.700 -0.004 0.000 2.603 279 S HA -0.007 4.469 4.470 0.010 0.000 0.229 279 S C 0.932 175.529 174.600 -0.005 0.000 0.972 279 S CA -0.114 58.084 58.200 -0.004 0.000 0.935 279 S CB -0.543 62.654 63.200 -0.005 0.000 0.769 279 S HN 0.110 nan 8.310 nan 0.000 0.536 280 L N 2.503 123.722 121.223 -0.007 0.000 2.283 280 L HA 0.452 4.798 4.340 0.010 0.000 0.287 280 L C 0.855 177.729 176.870 0.006 0.000 1.073 280 L CA -0.242 54.594 54.840 -0.007 0.000 0.822 280 L CB 0.005 42.053 42.059 -0.018 0.000 1.186 280 L HN 0.379 nan 8.230 nan 0.000 0.436 281 E N 4.048 124.255 120.200 0.011 0.000 2.765 281 E HA -0.032 4.324 4.350 0.010 0.000 0.256 281 E C 0.185 176.803 176.600 0.029 0.000 0.935 281 E CA -0.368 56.045 56.400 0.022 0.000 0.954 281 E CB -0.233 29.484 29.700 0.028 0.000 0.908 281 E HN 0.534 nan 8.360 nan 0.000 0.500 282 E N 1.760 121.978 120.200 0.031 0.000 2.604 282 E HA 0.155 4.511 4.350 0.010 0.000 0.267 282 E C -0.059 176.568 176.600 0.045 0.000 0.970 282 E CA 0.850 57.272 56.400 0.035 0.000 0.956 282 E CB 0.183 29.903 29.700 0.033 0.000 0.939 282 E HN 0.661 nan 8.360 nan 0.000 0.465 283 N N 1.829 120.559 118.700 0.050 0.000 5.634 283 N HA 0.028 4.774 4.740 0.010 0.000 0.150 283 N C -2.697 172.855 175.510 0.070 0.000 1.008 283 N CA -0.711 52.376 53.050 0.061 0.000 1.120 283 N CB 0.622 39.148 38.487 0.066 0.000 1.499 283 N HN -0.020 nan 8.380 nan 0.000 0.865 284 P HA -0.164 nan 4.420 nan 0.000 0.214 284 P C 0.834 178.199 177.300 0.108 0.000 1.169 284 P CA 2.258 65.405 63.100 0.077 0.000 0.908 284 P CB 0.099 31.839 31.700 0.067 0.000 0.791 285 T N -1.388 113.242 114.554 0.127 0.000 2.759 285 T HA -0.156 4.200 4.350 0.010 0.000 0.269 285 T C 1.590 176.427 174.700 0.228 0.000 1.042 285 T CA 1.530 63.746 62.100 0.194 0.000 1.140 285 T CB -1.039 67.948 68.868 0.198 0.000 0.864 285 T HN 0.302 nan 8.240 nan 0.000 0.455 286 N N 0.392 119.171 118.700 0.133 0.000 2.409 286 N HA -0.029 4.717 4.740 0.010 0.000 0.179 286 N C 2.413 177.972 175.510 0.081 0.000 1.032 286 N CA 0.797 53.895 53.050 0.080 0.000 0.898 286 N CB -0.031 38.481 38.487 0.042 0.000 0.971 286 N HN 0.622 nan 8.380 nan 0.000 0.441 287 E N 2.253 122.512 120.200 0.099 0.000 2.072 287 E HA -0.167 4.189 4.350 0.010 0.000 0.191 287 E C 1.718 178.388 176.600 0.116 0.000 0.985 287 E CA 1.110 57.562 56.400 0.086 0.000 0.801 287 E CB -0.526 29.219 29.700 0.075 0.000 0.750 287 E HN 0.418 nan 8.360 nan 0.000 0.452 288 K N -0.599 119.913 120.400 0.187 0.000 2.097 288 K HA 0.030 4.357 4.320 0.010 0.000 0.205 288 K C 2.272 179.090 176.600 0.363 0.000 1.050 288 K CA 1.096 57.545 56.287 0.271 0.000 0.938 288 K CB -0.177 32.500 32.500 0.295 0.000 0.718 288 K HN 0.274 nan 8.250 nan 0.000 0.442 289 L N 1.441 122.815 121.223 0.250 0.000 1.994 289 L HA -0.126 4.220 4.340 0.010 0.000 0.208 289 L C 2.315 179.137 176.870 -0.081 0.000 1.071 289 L CA 1.858 56.594 54.840 -0.173 0.000 0.745 289 L CB -0.791 41.030 42.059 -0.397 0.000 0.892 289 L HN 0.136 nan 8.230 nan 0.000 0.431 290 A N -0.574 122.231 122.820 -0.024 0.000 1.892 290 A HA -0.308 4.018 4.320 0.010 0.000 0.218 290 A C 2.482 180.073 177.584 0.012 0.000 1.188 290 A CA 2.243 54.273 52.037 -0.012 0.000 0.631 290 A CB -0.763 18.239 19.000 0.005 0.000 0.822 290 A HN 0.507 nan 8.150 nan 0.000 0.447 291 K N -0.530 119.897 120.400 0.044 0.000 2.097 291 K HA -0.111 4.215 4.320 0.010 0.000 0.206 291 K C 2.107 178.740 176.600 0.056 0.000 1.049 291 K CA 1.274 57.592 56.287 0.052 0.000 0.933 291 K CB -0.278 32.263 32.500 0.069 0.000 0.717 291 K HN 0.412 nan 8.250 nan 0.000 0.442 292 A N 1.067 123.934 122.820 0.078 0.000 1.930 292 A HA -0.023 4.303 4.320 0.010 0.000 0.215 292 A C 2.018 179.622 177.584 0.033 0.000 1.176 292 A CA 0.781 52.867 52.037 0.082 0.000 0.632 292 A CB -0.347 18.750 19.000 0.162 0.000 0.819 292 A HN 0.286 nan 8.150 nan 0.000 0.445 293 I N -0.418 120.147 120.570 -0.008 0.000 2.361 293 I HA -0.255 3.921 4.170 0.010 0.000 0.251 293 I C 2.360 178.476 176.117 -0.003 0.000 1.133 293 I CA 1.084 62.370 61.300 -0.024 0.000 1.413 293 I CB -0.272 37.694 38.000 -0.057 0.000 1.073 293 I HN 0.297 nan 8.210 nan 0.000 0.424 294 R N 0.510 121.012 120.500 0.004 0.000 2.341 294 R HA -0.077 4.269 4.340 0.010 0.000 0.213 294 R C 1.740 178.045 176.300 0.009 0.000 1.082 294 R CA 0.963 57.066 56.100 0.006 0.000 1.017 294 R CB -0.332 29.973 30.300 0.009 0.000 0.860 294 R HN 0.404 nan 8.270 nan 0.000 0.473 295 G N -1.277 107.532 108.800 0.016 0.000 3.324 295 G HA2 0.265 4.232 3.960 0.010 0.000 0.251 295 G HA3 0.265 4.232 3.960 0.010 0.000 0.251 295 G C 0.794 175.709 174.900 0.025 0.000 1.072 295 G CA 0.257 45.367 45.100 0.018 0.000 0.787 295 G HN 0.339 nan 8.290 nan 0.000 0.537 296 G N -1.029 107.786 108.800 0.024 0.000 2.176 296 G HA2 -0.206 3.760 3.960 0.010 0.000 0.253 296 G HA3 -0.206 3.760 3.960 0.010 0.000 0.253 296 G C 0.032 174.961 174.900 0.048 0.000 0.979 296 G CA 0.279 45.400 45.100 0.035 0.000 0.641 296 G HN 0.936 nan 8.290 nan 0.000 0.530 297 V N 0.308 120.246 119.914 0.041 0.000 2.588 297 V HA 0.888 5.014 4.120 0.010 0.000 0.304 297 V C 0.385 176.485 176.094 0.011 0.000 1.042 297 V CA -0.261 62.062 62.300 0.039 0.000 0.877 297 V CB 1.548 33.412 31.823 0.069 0.000 0.996 297 V HN 1.242 nan 8.190 nan 0.000 0.425 298 A N 4.211 127.008 122.820 -0.038 0.000 2.350 298 A HA 1.044 5.370 4.320 0.010 0.000 0.318 298 A C -0.906 176.650 177.584 -0.048 0.000 1.132 298 A CA -0.548 51.415 52.037 -0.124 0.000 0.811 298 A CB 1.551 20.438 19.000 -0.188 0.000 1.313 298 A HN 0.953 nan 8.150 nan 0.000 0.454 299 F N -1.301 118.629 119.950 -0.033 0.000 2.523 299 F HA 0.819 5.354 4.527 0.013 0.000 0.329 299 F C -0.364 175.413 175.800 -0.039 0.000 1.061 299 F CA -0.885 57.104 58.000 -0.018 0.000 0.967 299 F CB 1.228 40.245 39.000 0.028 0.000 1.218 299 F HN 0.701 nan 8.300 nan 0.000 0.480 300 H N 1.107 120.257 119.070 0.133 0.000 3.018 300 H HA 0.554 5.116 4.556 0.009 0.000 0.334 300 H C -1.493 173.905 175.328 0.117 0.000 0.983 300 H CA -0.405 55.642 56.048 -0.003 0.000 1.363 300 H CB 0.838 30.567 29.762 -0.056 0.000 1.668 300 H HN 0.958 nan 8.280 nan 0.000 0.513 301 H N 1.762 120.795 119.070 -0.061 0.000 3.003 301 H HA 0.483 5.048 4.556 0.015 0.000 0.327 301 H C 0.016 175.305 175.328 -0.066 0.000 1.353 301 H CA -0.439 55.616 56.048 0.011 0.000 1.142 301 H CB 0.630 30.443 29.762 0.085 0.000 1.864 301 H HN 0.495 nan 8.280 nan 0.000 0.529 302 A N 0.702 123.660 122.820 0.232 0.000 2.131 302 A HA -0.007 4.319 4.320 0.010 0.000 0.220 302 A C 2.185 179.886 177.584 0.195 0.000 1.158 302 A CA 1.750 53.871 52.037 0.140 0.000 0.665 302 A CB -1.479 17.580 19.000 0.099 0.000 0.795 302 A HN 0.946 nan 8.150 nan 0.000 0.460 303 G N -0.614 108.460 108.800 0.457 0.000 2.448 303 G HA2 0.132 4.099 3.960 0.010 0.000 0.218 303 G HA3 0.132 4.099 3.960 0.010 0.000 0.218 303 G C 0.693 175.727 174.900 0.223 0.000 1.135 303 G CA 0.083 45.387 45.100 0.341 0.000 0.784 303 G HN 0.448 nan 8.290 nan 0.000 0.543 304 L N 1.024 122.299 121.223 0.086 0.000 2.439 304 L HA 0.412 4.758 4.340 0.010 0.000 0.269 304 L C 1.387 178.233 176.870 -0.039 0.000 1.179 304 L CA -0.596 54.223 54.840 -0.035 0.000 0.828 304 L CB 0.719 42.649 42.059 -0.216 0.000 1.106 304 L HN 0.134 nan 8.230 nan 0.000 0.467 305 G N 0.922 109.703 108.800 -0.032 0.000 2.606 305 G HA2 0.058 4.024 3.960 0.010 0.000 0.252 305 G HA3 0.058 4.024 3.960 0.010 0.000 0.252 305 G C 0.801 175.639 174.900 -0.104 0.000 1.206 305 G CA -0.400 44.670 45.100 -0.050 0.000 0.861 305 G HN 0.742 nan 8.290 nan 0.000 0.561 306 R N 0.090 120.494 120.500 -0.161 0.000 2.094 306 R HA -0.137 4.210 4.340 0.010 0.000 0.239 306 R C 1.771 178.010 176.300 -0.101 0.000 1.137 306 R CA 2.229 58.230 56.100 -0.165 0.000 0.943 306 R CB -0.611 29.534 30.300 -0.258 0.000 0.850 306 R HN 0.629 nan 8.270 nan 0.000 0.433 307 D N 0.416 120.766 120.400 -0.083 0.000 2.123 307 D HA -0.159 4.487 4.640 0.010 0.000 0.196 307 D C 1.918 178.189 176.300 -0.049 0.000 0.992 307 D CA 1.361 55.331 54.000 -0.051 0.000 0.833 307 D CB -0.177 40.604 40.800 -0.033 0.000 0.954 307 D HN 0.313 nan 8.370 nan 0.000 0.455 308 E N 0.308 120.469 120.200 -0.065 0.000 2.072 308 E HA -0.062 4.294 4.350 0.010 0.000 0.191 308 E C 2.201 178.742 176.600 -0.099 0.000 0.985 308 E CA 0.719 57.067 56.400 -0.087 0.000 0.801 308 E CB -0.067 29.570 29.700 -0.106 0.000 0.750 308 E HN 0.269 nan 8.360 nan 0.000 0.452 309 R N 0.098 120.534 120.500 -0.107 0.000 2.092 309 R HA -0.047 4.300 4.340 0.010 0.000 0.231 309 R C 2.303 178.636 176.300 0.056 0.000 1.119 309 R CA 1.174 57.232 56.100 -0.071 0.000 0.970 309 R CB -0.521 29.704 30.300 -0.126 0.000 0.864 309 R HN 0.079 nan 8.270 nan 0.000 0.440 310 V N 2.050 121.973 119.914 0.015 0.000 2.295 310 V HA -0.245 3.881 4.120 0.010 0.000 0.246 310 V C 2.377 178.487 176.094 0.027 0.000 1.049 310 V CA 1.704 64.020 62.300 0.028 0.000 1.024 310 V CB -0.533 31.292 31.823 0.003 0.000 0.648 310 V HN 0.301 nan 8.190 nan 0.000 0.447 311 L N -0.228 120.997 121.223 0.002 0.000 1.989 311 L HA -0.189 4.158 4.340 0.010 0.000 0.211 311 L C 2.419 179.295 176.870 0.010 0.000 1.071 311 L CA 1.831 56.670 54.840 -0.002 0.000 0.749 311 L CB -0.265 41.779 42.059 -0.026 0.000 0.890 311 L HN 0.144 nan 8.230 nan 0.000 0.431 312 V N 0.283 120.198 119.914 0.002 0.000 2.343 312 V HA -0.293 3.833 4.120 0.010 0.000 0.247 312 V C 2.428 178.563 176.094 0.068 0.000 1.051 312 V CA 2.284 64.591 62.300 0.010 0.000 1.036 312 V CB -0.591 31.225 31.823 -0.011 0.000 0.654 312 V HN 0.543 nan 8.190 nan 0.000 0.451 313 E N -0.215 120.038 120.200 0.089 0.000 2.047 313 E HA -0.226 4.131 4.350 0.010 0.000 0.191 313 E C 2.232 178.910 176.600 0.129 0.000 0.987 313 E CA 1.421 57.880 56.400 0.099 0.000 0.799 313 E CB -0.175 29.572 29.700 0.078 0.000 0.752 313 E HN 0.664 nan 8.360 nan 0.000 0.449 314 E N 0.658 120.908 120.200 0.083 0.000 2.072 314 E HA -0.114 4.242 4.350 0.010 0.000 0.191 314 E C 1.859 178.495 176.600 0.060 0.000 0.985 314 E CA 0.645 57.081 56.400 0.061 0.000 0.801 314 E CB -0.002 29.720 29.700 0.037 0.000 0.750 314 E HN 0.202 nan 8.360 nan 0.000 0.452 315 N N 0.068 118.809 118.700 0.069 0.000 2.409 315 N HA -0.098 4.648 4.740 0.010 0.000 0.179 315 N C 1.487 177.061 175.510 0.106 0.000 1.032 315 N CA 0.493 53.580 53.050 0.060 0.000 0.898 315 N CB -0.017 38.496 38.487 0.042 0.000 0.971 315 N HN 0.110 nan 8.380 nan 0.000 0.441 316 F N 2.345 122.277 119.950 -0.029 0.000 2.234 316 F HA 0.071 4.606 4.527 0.012 0.000 0.296 316 F C 2.355 178.137 175.800 -0.030 0.000 1.089 316 F CA 0.871 58.850 58.000 -0.036 0.000 1.343 316 F CB -0.138 38.836 39.000 -0.044 0.000 1.040 316 F HN -0.162 nan 8.300 nan 0.000 0.498 317 R N 0.661 121.146 120.500 -0.026 0.000 2.237 317 R HA -0.074 4.272 4.340 0.010 0.000 0.219 317 R C 1.565 177.802 176.300 -0.105 0.000 1.080 317 R CA 0.939 56.971 56.100 -0.112 0.000 0.995 317 R CB -0.106 30.193 30.300 -0.000 0.000 0.875 317 R HN 0.280 nan 8.270 nan 0.000 0.462 318 K N -1.080 119.278 120.400 -0.069 0.000 2.404 318 K HA 0.092 4.418 4.320 0.010 0.000 0.194 318 K C 0.768 177.308 176.600 -0.100 0.000 1.023 318 K CA 0.560 56.813 56.287 -0.058 0.000 1.094 318 K CB 0.677 33.165 32.500 -0.020 0.000 0.841 318 K HN 0.373 nan 8.250 nan 0.000 0.523 319 G N 1.711 110.417 108.800 -0.157 0.000 2.168 319 G HA2 -0.299 3.667 3.960 0.010 0.000 0.263 319 G HA3 -0.299 3.667 3.960 0.010 0.000 0.263 319 G C 0.822 175.674 174.900 -0.080 0.000 0.977 319 G CA 0.462 45.457 45.100 -0.175 0.000 0.659 319 G HN 0.295 nan 8.290 nan 0.000 0.533 320 I N 0.202 120.751 120.570 -0.035 0.000 2.193 320 I HA 0.106 4.283 4.170 0.010 0.000 0.240 320 I C 1.613 177.743 176.117 0.022 0.000 1.084 320 I CA 0.891 62.186 61.300 -0.008 0.000 1.365 320 I CB -0.093 37.907 38.000 0.001 0.000 1.064 320 I HN 0.167 nan 8.210 nan 0.000 0.410 321 I N 1.850 122.459 120.570 0.066 0.000 2.416 321 I HA 0.018 4.194 4.170 0.010 0.000 0.288 321 I C 1.084 177.310 176.117 0.182 0.000 1.051 321 I CA -0.166 61.204 61.300 0.117 0.000 1.375 321 I CB 1.066 39.157 38.000 0.152 0.000 1.407 321 I HN 0.079 nan 8.210 nan 0.000 0.516 322 K N 4.872 125.355 120.400 0.139 0.000 2.137 322 K HA 0.232 4.558 4.320 0.010 0.000 0.202 322 K C 0.408 177.169 176.600 0.268 0.000 1.052 322 K CA 0.535 56.911 56.287 0.148 0.000 0.961 322 K CB 0.108 32.662 32.500 0.090 0.000 0.741 322 K HN 0.685 nan 8.250 nan 0.000 0.452 323 A N 0.350 123.295 122.820 0.208 0.000 2.498 323 A HA 0.652 4.978 4.320 0.010 0.000 0.298 323 A C -1.294 176.216 177.584 -0.124 0.000 1.075 323 A CA -0.621 51.489 52.037 0.123 0.000 0.714 323 A CB 2.035 21.080 19.000 0.076 0.000 1.299 323 A HN -0.122 nan 8.150 nan 0.000 0.407 324 V N 1.412 121.107 119.914 -0.366 0.000 2.569 324 V HA 0.402 4.528 4.120 0.010 0.000 0.301 324 V C -0.742 175.169 176.094 -0.306 0.000 1.044 324 V CA -0.536 61.497 62.300 -0.446 0.000 0.874 324 V CB 1.733 33.013 31.823 -0.905 0.000 1.002 324 V HN 0.721 nan 8.190 nan 0.000 0.424 325 V N 4.326 124.172 119.914 -0.112 0.000 2.364 325 V HA 0.860 4.986 4.120 0.010 0.000 0.272 325 V C 0.454 176.572 176.094 0.039 0.000 1.036 325 V CA -0.049 62.227 62.300 -0.040 0.000 0.880 325 V CB 1.063 32.933 31.823 0.079 0.000 0.991 325 V HN 1.021 nan 8.190 nan 0.000 0.460 326 A N 3.804 126.626 122.820 0.004 0.000 2.479 326 A HA 0.942 5.268 4.320 0.010 0.000 0.296 326 A C 0.077 177.830 177.584 0.283 0.000 1.121 326 A CA -0.399 51.748 52.037 0.185 0.000 0.743 326 A CB 1.895 20.997 19.000 0.170 0.000 1.323 326 A HN 0.789 nan 8.150 nan 0.000 0.415 327 T N -1.367 113.367 114.554 0.300 0.000 2.881 327 T HA 0.577 4.933 4.350 0.010 0.000 0.278 327 T C -2.090 172.745 174.700 0.224 0.000 0.982 327 T CA -1.367 60.872 62.100 0.233 0.000 0.989 327 T CB 0.920 69.899 68.868 0.185 0.000 1.058 327 T HN 0.255 nan 8.240 nan 0.000 0.529 328 P HA 0.025 nan 4.420 nan 0.000 0.215 328 P C 1.709 179.051 177.300 0.069 0.000 1.157 328 P CA 0.945 64.073 63.100 0.045 0.000 0.856 328 P CB -0.374 31.320 31.700 -0.011 0.000 0.786 329 T N 0.524 115.125 114.554 0.079 0.000 2.567 329 T HA -0.196 4.160 4.350 0.010 0.000 0.261 329 T C 1.253 176.009 174.700 0.094 0.000 1.123 329 T CA 1.474 63.620 62.100 0.076 0.000 1.166 329 T CB -0.977 67.936 68.868 0.075 0.000 0.860 329 T HN 0.100 nan 8.240 nan 0.000 0.436 330 L N 1.243 122.550 121.223 0.140 0.000 3.066 330 L HA 0.262 4.608 4.340 0.010 0.000 0.265 330 L C 2.048 179.057 176.870 0.231 0.000 1.232 330 L CA -0.048 54.892 54.840 0.166 0.000 1.031 330 L CB 0.052 42.207 42.059 0.159 0.000 1.379 330 L HN 0.295 nan 8.230 nan 0.000 0.563 331 S N -0.110 115.707 115.700 0.195 0.000 2.507 331 S HA -0.122 4.354 4.470 0.010 0.000 0.235 331 S C 1.975 176.639 174.600 0.107 0.000 0.988 331 S CA 0.807 59.111 58.200 0.173 0.000 0.944 331 S CB 0.001 63.339 63.200 0.230 0.000 0.762 331 S HN 0.404 nan 8.310 nan 0.000 0.526 332 A N 1.324 124.205 122.820 0.102 0.000 2.121 332 A HA 0.315 4.642 4.320 0.010 0.000 0.218 332 A C 2.195 179.829 177.584 0.083 0.000 1.154 332 A CA 1.030 53.120 52.037 0.088 0.000 0.679 332 A CB -1.356 17.694 19.000 0.082 0.000 0.795 332 A HN 0.646 nan 8.150 nan 0.000 0.458 333 G N -0.191 108.665 108.800 0.093 0.000 2.448 333 G HA2 0.065 4.031 3.960 0.010 0.000 0.218 333 G HA3 0.065 4.031 3.960 0.010 0.000 0.218 333 G C 0.691 175.611 174.900 0.034 0.000 1.135 333 G CA 0.283 45.436 45.100 0.089 0.000 0.784 333 G HN 0.476 nan 8.290 nan 0.000 0.543 334 I N 2.295 122.840 120.570 -0.042 0.000 2.278 334 I HA 0.070 4.246 4.170 0.010 0.000 0.296 334 I C 0.836 176.993 176.117 0.068 0.000 1.121 334 I CA -0.215 61.060 61.300 -0.042 0.000 1.267 334 I CB 0.503 38.402 38.000 -0.169 0.000 1.447 334 I HN 0.327 nan 8.210 nan 0.000 0.509 335 N N 2.624 121.375 118.700 0.085 0.000 2.383 335 N HA 0.007 4.753 4.740 0.010 0.000 0.192 335 N C -0.073 175.503 175.510 0.110 0.000 1.141 335 N CA -0.214 52.894 53.050 0.096 0.000 0.851 335 N CB 0.174 38.708 38.487 0.079 0.000 0.976 335 N HN 0.360 nan 8.380 nan 0.000 0.465 336 T N 2.546 117.184 114.554 0.140 0.000 2.744 336 T HA 0.317 4.673 4.350 0.010 0.000 0.291 336 T C -2.251 172.537 174.700 0.147 0.000 0.957 336 T CA -1.167 61.001 62.100 0.113 0.000 1.002 336 T CB 1.813 70.709 68.868 0.047 0.000 0.919 336 T HN 0.028 nan 8.240 nan 0.000 0.468 337 P HA 0.541 nan 4.420 nan 0.000 0.275 337 P C -1.218 176.133 177.300 0.085 0.000 1.270 337 P CA -0.518 62.648 63.100 0.111 0.000 0.791 337 P CB 0.518 32.272 31.700 0.090 0.000 1.089 338 A N -0.616 122.272 122.820 0.113 0.000 2.520 338 A HA 0.406 4.732 4.320 0.010 0.000 0.298 338 A C 0.260 177.927 177.584 0.137 0.000 1.051 338 A CA -0.447 51.661 52.037 0.119 0.000 0.690 338 A CB 0.169 19.311 19.000 0.237 0.000 1.281 338 A HN 0.487 nan 8.150 nan 0.000 0.402 339 F N 1.787 121.752 119.950 0.026 0.000 2.063 339 F HA -0.084 4.450 4.527 0.011 0.000 0.298 339 F C 0.911 176.741 175.800 0.050 0.000 1.109 339 F CA 2.113 60.133 58.000 0.033 0.000 1.212 339 F CB 0.016 39.032 39.000 0.026 0.000 0.973 339 F HN 0.575 nan 8.300 nan 0.000 0.480 340 R N -0.003 120.331 120.500 -0.277 0.000 2.494 340 R HA 0.563 4.909 4.340 0.010 0.000 0.305 340 R C -1.568 174.661 176.300 -0.120 0.000 0.959 340 R CA -0.824 55.064 56.100 -0.352 0.000 0.864 340 R CB 2.359 32.437 30.300 -0.370 0.000 1.159 340 R HN -0.099 nan 8.270 nan 0.000 0.446 341 V N 5.695 125.556 119.914 -0.088 0.000 2.384 341 V HA 0.440 4.566 4.120 0.010 0.000 0.287 341 V C -0.231 175.844 176.094 -0.032 0.000 1.020 341 V CA -0.560 61.725 62.300 -0.025 0.000 0.850 341 V CB 1.700 33.573 31.823 0.083 0.000 0.987 341 V HN 0.621 nan 8.190 nan 0.000 0.436 342 I N 6.196 126.729 120.570 -0.063 0.000 2.382 342 I HA 0.449 4.626 4.170 0.010 0.000 0.285 342 I C -0.344 175.729 176.117 -0.074 0.000 1.007 342 I CA -0.328 60.922 61.300 -0.083 0.000 1.142 342 I CB 1.659 39.609 38.000 -0.083 0.000 1.289 342 I HN 0.425 nan 8.210 nan 0.000 0.453 343 I N 6.531 127.067 120.570 -0.057 0.000 2.269 343 I HA 0.174 4.350 4.170 0.010 0.000 0.293 343 I C 1.417 177.426 176.117 -0.180 0.000 1.106 343 I CA -0.216 61.054 61.300 -0.050 0.000 1.248 343 I CB 0.782 38.728 38.000 -0.090 0.000 1.444 343 I HN 0.621 nan 8.210 nan 0.000 0.497 344 R N 3.826 124.169 120.500 -0.262 0.000 2.073 344 R HA -0.004 4.342 4.340 0.010 0.000 0.229 344 R C -0.067 176.091 176.300 -0.237 0.000 1.120 344 R CA 1.399 57.244 56.100 -0.425 0.000 0.967 344 R CB 0.136 30.072 30.300 -0.607 0.000 0.862 344 R HN 0.466 nan 8.270 nan 0.000 0.436 345 D N -0.202 120.118 120.400 -0.134 0.000 2.375 345 D HA 0.183 4.830 4.640 0.010 0.000 0.247 345 D C 0.420 176.684 176.300 -0.060 0.000 1.061 345 D CA -0.272 53.700 54.000 -0.048 0.000 0.834 345 D CB 1.728 42.520 40.800 -0.013 0.000 1.247 345 D HN 0.342 nan 8.370 nan 0.000 0.489 346 I N -3.078 117.475 120.570 -0.028 0.000 4.154 346 I HA 0.408 4.585 4.170 0.010 0.000 0.334 346 I C -0.580 175.354 176.117 -0.305 0.000 1.371 346 I CA -0.429 60.762 61.300 -0.183 0.000 1.110 346 I CB 0.327 38.199 38.000 -0.214 0.000 1.085 346 I HN 0.024 nan 8.210 nan 0.000 0.398 347 W N 2.957 124.260 121.300 0.005 0.000 2.736 347 W HA 0.639 5.297 4.660 -0.004 0.000 0.335 347 W C -0.270 176.246 176.519 -0.005 0.000 1.059 347 W CA -0.600 56.750 57.345 0.010 0.000 1.226 347 W CB 1.392 30.854 29.460 0.003 0.000 1.416 347 W HN -0.030 nan 8.180 nan 0.000 0.505 348 R N 0.713 121.341 120.500 0.213 0.000 2.673 348 R HA 0.682 5.028 4.340 0.010 0.000 0.281 348 R C -0.574 175.795 176.300 0.115 0.000 0.991 348 R CA -0.981 55.191 56.100 0.120 0.000 0.896 348 R CB -0.097 30.235 30.300 0.054 0.000 1.201 348 R HN 0.534 nan 8.270 nan 0.000 0.457 349 Y N 0.653 121.000 120.300 0.078 0.000 2.802 349 Y HA 0.374 4.930 4.550 0.010 0.000 0.333 349 Y C 0.535 176.466 175.900 0.052 0.000 1.244 349 Y CA 0.266 58.401 58.100 0.057 0.000 1.558 349 Y CB -0.708 37.773 38.460 0.035 0.000 1.233 349 Y HN 1.018 nan 8.280 nan 0.000 0.547 350 S N 1.590 117.321 115.700 0.052 0.000 2.767 350 S HA 0.565 5.041 4.470 0.010 0.000 0.300 350 S C 0.780 175.392 174.600 0.019 0.000 1.123 350 S CA -0.172 58.050 58.200 0.037 0.000 0.992 350 S CB 0.574 63.801 63.200 0.045 0.000 1.138 350 S HN 0.682 nan 8.310 nan 0.000 0.550 351 D N 0.599 121.001 120.400 0.004 0.000 2.077 351 D HA -0.009 4.637 4.640 0.010 0.000 0.197 351 D C 2.090 178.364 176.300 -0.043 0.000 0.983 351 D CA 2.293 56.281 54.000 -0.020 0.000 0.841 351 D CB -1.124 39.654 40.800 -0.037 0.000 0.992 351 D HN 0.618 nan 8.370 nan 0.000 0.450 352 F N 0.742 120.666 119.950 -0.045 0.000 2.171 352 F HA 0.341 4.874 4.527 0.010 0.000 0.300 352 F C 1.465 177.249 175.800 -0.026 0.000 1.090 352 F CA 1.209 59.180 58.000 -0.049 0.000 1.293 352 F CB -0.566 38.409 39.000 -0.042 0.000 1.013 352 F HN 0.293 nan 8.300 nan 0.000 0.486 353 G N -1.874 106.924 108.800 -0.004 0.000 2.347 353 G HA2 0.448 4.414 3.960 0.010 0.000 0.303 353 G HA3 0.448 4.414 3.960 0.010 0.000 0.303 353 G C -0.615 174.311 174.900 0.044 0.000 1.481 353 G CA -0.570 44.536 45.100 0.010 0.000 0.914 353 G HN 0.426 nan 8.290 nan 0.000 0.638 354 M N 0.648 120.282 119.600 0.058 0.000 2.101 354 M HA 0.051 4.537 4.480 0.010 0.000 0.355 354 M C 0.697 177.135 176.300 0.231 0.000 0.971 354 M CA 1.427 56.808 55.300 0.135 0.000 0.822 354 M CB -0.916 31.733 32.600 0.081 0.000 1.627 354 M HN 0.905 nan 8.290 nan 0.000 0.476 355 E N 1.919 122.328 120.200 0.349 0.000 2.416 355 E HA 0.509 4.865 4.350 0.010 0.000 0.280 355 E C -1.381 175.291 176.600 0.120 0.000 1.055 355 E CA -1.065 55.511 56.400 0.293 0.000 0.825 355 E CB 1.549 31.314 29.700 0.109 0.000 1.312 355 E HN 0.666 nan 8.360 nan 0.000 0.452 356 R N 1.222 121.537 120.500 -0.309 0.000 2.490 356 R HA 0.393 4.739 4.340 0.010 0.000 0.280 356 R C 0.282 176.451 176.300 -0.219 0.000 1.077 356 R CA -0.486 55.217 56.100 -0.662 0.000 1.065 356 R CB 0.435 30.266 30.300 -0.782 0.000 1.003 356 R HN 0.415 nan 8.270 nan 0.000 0.470 357 I N 4.179 124.653 120.570 -0.161 0.000 2.618 357 I HA 0.024 4.200 4.170 0.010 0.000 0.284 357 I C -1.798 174.338 176.117 0.032 0.000 1.146 357 I CA -1.717 59.544 61.300 -0.065 0.000 1.425 357 I CB 0.384 38.315 38.000 -0.115 0.000 1.383 357 I HN 0.231 nan 8.210 nan 0.000 0.562 358 P HA -0.012 nan 4.420 nan 0.000 0.266 358 P C 0.819 178.146 177.300 0.044 0.000 1.186 358 P CA 0.258 63.372 63.100 0.024 0.000 0.767 358 P CB 0.556 32.255 31.700 -0.001 0.000 0.820 359 I N 1.839 122.405 120.570 -0.007 0.000 2.286 359 I HA -0.242 3.934 4.170 0.010 0.000 0.248 359 I C 2.100 178.010 176.117 -0.346 0.000 1.115 359 I CA 1.368 62.587 61.300 -0.135 0.000 1.392 359 I CB -0.404 37.373 38.000 -0.372 0.000 1.065 359 I HN 0.413 nan 8.210 nan 0.000 0.418 360 I N 0.708 121.140 120.570 -0.231 0.000 2.163 360 I HA -0.308 3.868 4.170 0.010 0.000 0.243 360 I C 2.457 178.501 176.117 -0.121 0.000 1.085 360 I CA 1.686 62.875 61.300 -0.186 0.000 1.347 360 I CB -0.389 37.553 38.000 -0.097 0.000 1.044 360 I HN 0.283 nan 8.210 nan 0.000 0.408 361 E N 0.114 120.260 120.200 -0.090 0.000 2.107 361 E HA -0.144 4.212 4.350 0.010 0.000 0.191 361 E C 2.332 178.858 176.600 -0.124 0.000 0.982 361 E CA 1.058 57.402 56.400 -0.093 0.000 0.809 361 E CB -0.069 29.577 29.700 -0.090 0.000 0.756 361 E HN 0.286 nan 8.360 nan 0.000 0.459 362 V N 1.367 121.201 119.914 -0.133 0.000 2.343 362 V HA -0.283 3.843 4.120 0.010 0.000 0.247 362 V C 2.008 178.107 176.094 0.008 0.000 1.051 362 V CA 1.967 64.170 62.300 -0.162 0.000 1.036 362 V CB -0.679 30.942 31.823 -0.335 0.000 0.654 362 V HN 0.372 nan 8.190 nan 0.000 0.451 363 H N -0.664 118.356 119.070 -0.084 0.000 2.353 363 H HA -0.176 4.387 4.556 0.012 0.000 0.300 363 H C 2.537 177.826 175.328 -0.066 0.000 1.090 363 H CA 1.453 57.466 56.048 -0.058 0.000 1.327 363 H CB 0.132 29.870 29.762 -0.039 0.000 1.383 363 H HN 0.498 nan 8.280 nan 0.000 0.508 364 Q N 0.284 120.109 119.800 0.042 0.000 2.084 364 Q HA -0.165 4.181 4.340 0.010 0.000 0.202 364 Q C 2.364 178.345 176.000 -0.033 0.000 0.978 364 Q CA 1.335 57.132 55.803 -0.011 0.000 0.844 364 Q CB 0.021 28.735 28.738 -0.041 0.000 0.898 364 Q HN 0.519 nan 8.270 nan 0.000 0.426 365 M N 0.155 119.692 119.600 -0.105 0.000 2.086 365 M HA -0.187 4.299 4.480 0.010 0.000 0.261 365 M C 2.140 178.472 176.300 0.054 0.000 1.067 365 M CA 1.426 56.643 55.300 -0.138 0.000 1.116 365 M CB -0.317 32.082 32.600 -0.335 0.000 1.348 365 M HN 0.227 nan 8.290 nan 0.000 0.407 366 L N -0.624 120.614 121.223 0.025 0.000 2.083 366 L HA -0.100 4.246 4.340 0.010 0.000 0.209 366 L C 2.485 179.374 176.870 0.032 0.000 1.083 366 L CA 1.127 55.987 54.840 0.034 0.000 0.752 366 L CB -1.323 40.735 42.059 -0.002 0.000 0.899 366 L HN 0.412 nan 8.230 nan 0.000 0.433 367 G N -0.319 108.495 108.800 0.023 0.000 2.653 367 G HA2 -0.161 3.805 3.960 0.010 0.000 0.212 367 G HA3 -0.161 3.805 3.960 0.010 0.000 0.212 367 G C 1.599 176.526 174.900 0.046 0.000 1.138 367 G CA 0.014 45.125 45.100 0.018 0.000 0.782 367 G HN 0.309 nan 8.290 nan 0.000 0.535 368 R N -0.120 120.430 120.500 0.084 0.000 2.317 368 R HA 0.283 4.629 4.340 0.010 0.000 0.208 368 R C 0.939 177.299 176.300 0.100 0.000 0.914 368 R CA 0.195 56.366 56.100 0.119 0.000 1.060 368 R CB 0.394 30.819 30.300 0.207 0.000 1.015 368 R HN 0.276 nan 8.270 nan 0.000 0.498 369 A N 0.978 123.835 122.820 0.062 0.000 2.331 369 A HA 0.551 4.878 4.320 0.010 0.000 0.283 369 A C 0.335 177.936 177.584 0.029 0.000 1.142 369 A CA 0.217 52.272 52.037 0.030 0.000 0.812 369 A CB 0.627 19.615 19.000 -0.019 0.000 1.074 369 A HN 0.327 nan 8.150 nan 0.000 0.497 370 G N 2.019 110.859 108.800 0.066 0.000 3.035 370 G HA2 -0.079 3.887 3.960 0.010 0.000 0.674 370 G HA3 -0.079 3.887 3.960 0.010 0.000 0.674 370 G C -0.487 174.464 174.900 0.085 0.000 1.159 370 G CA -0.679 44.475 45.100 0.089 0.000 1.098 370 G HN 0.944 nan 8.290 nan 0.000 0.473 371 R N 3.398 123.974 120.500 0.127 0.000 2.298 371 R HA 0.354 4.700 4.340 0.010 0.000 0.310 371 R C -1.369 174.986 176.300 0.091 0.000 1.068 371 R CA -1.588 54.587 56.100 0.125 0.000 0.957 371 R CB 1.182 31.600 30.300 0.197 0.000 1.003 371 R HN 0.257 nan 8.270 nan 0.000 0.454 372 P HA -0.242 nan 4.420 nan 0.000 0.216 372 P C 0.798 178.072 177.300 -0.044 0.000 1.153 372 P CA 1.343 64.457 63.100 0.024 0.000 0.858 372 P CB 0.262 32.004 31.700 0.069 0.000 0.789 373 K N -1.901 118.424 120.400 -0.124 0.000 2.167 373 K HA -0.086 4.240 4.320 0.010 0.000 0.203 373 K C 1.181 177.400 176.600 -0.635 0.000 1.052 373 K CA 1.184 57.217 56.287 -0.423 0.000 0.956 373 K CB -0.055 32.054 32.500 -0.653 0.000 0.735 373 K HN 0.170 nan 8.250 nan 0.000 0.451 374 Y N 0.026 120.317 120.300 -0.016 0.000 2.483 374 Y HA 0.219 4.775 4.550 0.010 0.000 0.258 374 Y C -0.159 175.718 175.900 -0.038 0.000 1.083 374 Y CA -0.789 57.291 58.100 -0.034 0.000 1.283 374 Y CB 0.699 39.130 38.460 -0.048 0.000 1.178 374 Y HN -0.093 nan 8.280 nan 0.000 0.515 375 D N 0.530 120.997 120.400 0.112 0.000 2.185 375 D HA 0.203 4.849 4.640 0.010 0.000 0.247 375 D C 0.149 176.470 176.300 0.036 0.000 1.027 375 D CA -0.264 53.786 54.000 0.082 0.000 0.861 375 D CB 1.847 42.753 40.800 0.176 0.000 1.202 375 D HN 0.273 nan 8.370 nan 0.000 0.453 376 E N -0.224 119.990 120.200 0.023 0.000 2.460 376 E HA 0.182 4.538 4.350 0.010 0.000 0.200 376 E C -0.160 176.441 176.600 0.002 0.000 1.011 376 E CA 0.003 56.401 56.400 -0.003 0.000 0.912 376 E CB 1.531 31.222 29.700 -0.014 0.000 0.953 376 E HN 0.059 nan 8.360 nan 0.000 0.494 377 V N 0.129 120.079 119.914 0.060 0.000 2.924 377 V HA 0.608 4.735 4.120 0.010 0.000 0.300 377 V C -1.143 175.047 176.094 0.160 0.000 1.227 377 V CA -0.669 61.666 62.300 0.059 0.000 0.954 377 V CB 1.796 33.639 31.823 0.032 0.000 1.055 377 V HN 0.088 nan 8.190 nan 0.000 0.429 378 G N 3.680 112.506 108.800 0.043 0.000 2.400 378 G HA2 0.740 4.706 3.960 0.010 0.000 0.333 378 G HA3 0.740 4.706 3.960 0.010 0.000 0.333 378 G C -1.116 173.718 174.900 -0.110 0.000 1.143 378 G CA -0.465 44.634 45.100 -0.001 0.000 0.914 378 G HN 0.750 nan 8.290 nan 0.000 0.480 379 E N 0.084 120.134 120.200 -0.251 0.000 2.199 379 E HA 0.510 4.866 4.350 0.010 0.000 0.265 379 E C -0.265 176.310 176.600 -0.041 0.000 0.882 379 E CA -0.749 55.575 56.400 -0.128 0.000 0.759 379 E CB 2.196 31.794 29.700 -0.170 0.000 1.148 379 E HN 0.550 nan 8.360 nan 0.000 0.412 380 G N 3.564 112.413 108.800 0.081 0.000 2.437 380 G HA2 0.564 4.530 3.960 0.010 0.000 0.315 380 G HA3 0.564 4.530 3.960 0.010 0.000 0.315 380 G C -0.487 174.457 174.900 0.073 0.000 1.210 380 G CA -0.395 44.735 45.100 0.051 0.000 0.943 380 G HN 0.420 nan 8.290 nan 0.000 0.471 381 I N 2.862 123.433 120.570 0.001 0.000 2.406 381 I HA 0.355 4.531 4.170 0.010 0.000 0.290 381 I C -0.245 175.830 176.117 -0.070 0.000 0.999 381 I CA -0.721 60.544 61.300 -0.060 0.000 1.124 381 I CB 2.208 40.136 38.000 -0.119 0.000 1.289 381 I HN 0.233 nan 8.210 nan 0.000 0.441 382 I N 6.538 127.067 120.570 -0.069 0.000 2.315 382 I HA 0.227 4.403 4.170 0.010 0.000 0.291 382 I C -0.177 175.930 176.117 -0.016 0.000 1.006 382 I CA -0.730 60.521 61.300 -0.080 0.000 1.265 382 I CB 1.450 39.388 38.000 -0.104 0.000 1.387 382 I HN 0.223 nan 8.210 nan 0.000 0.475 383 V N 5.731 125.623 119.914 -0.036 0.000 2.408 383 V HA 0.143 4.269 4.120 0.010 0.000 0.267 383 V C 0.409 176.562 176.094 0.098 0.000 1.047 383 V CA -0.069 62.264 62.300 0.056 0.000 0.937 383 V CB 1.213 32.955 31.823 -0.134 0.000 0.999 383 V HN 0.781 nan 8.190 nan 0.000 0.472 384 S N 3.393 119.220 115.700 0.212 0.000 2.451 384 S HA 0.534 5.010 4.470 0.010 0.000 0.301 384 S C 0.877 175.673 174.600 0.326 0.000 1.116 384 S CA 0.091 58.432 58.200 0.235 0.000 1.093 384 S CB 1.491 64.809 63.200 0.196 0.000 1.017 384 S HN 0.942 nan 8.310 nan 0.000 0.482 385 T N 0.978 115.687 114.554 0.257 0.000 3.182 385 T HA 0.087 4.443 4.350 0.010 0.000 0.244 385 T C 1.676 176.515 174.700 0.231 0.000 0.981 385 T CA 0.626 62.856 62.100 0.217 0.000 1.182 385 T CB -0.817 68.127 68.868 0.127 0.000 1.043 385 T HN 0.652 nan 8.240 nan 0.000 0.424 386 S N 0.773 116.578 115.700 0.175 0.000 2.535 386 S HA 0.202 4.678 4.470 0.010 0.000 0.214 386 S C 0.132 174.810 174.600 0.129 0.000 0.980 386 S CA -0.487 57.782 58.200 0.116 0.000 0.907 386 S CB -0.275 62.925 63.200 -0.001 0.000 0.790 386 S HN 0.412 nan 8.310 nan 0.000 0.510 387 D N 2.312 122.821 120.400 0.182 0.000 2.229 387 D HA 0.261 4.908 4.640 0.010 0.000 0.249 387 D C -1.045 175.242 176.300 -0.022 0.000 1.027 387 D CA -0.262 53.816 54.000 0.131 0.000 0.923 387 D CB 1.326 42.257 40.800 0.219 0.000 1.174 387 D HN 0.236 nan 8.370 nan 0.000 0.443 388 D N 1.091 121.444 120.400 -0.079 0.000 2.383 388 D HA 0.086 4.732 4.640 0.010 0.000 0.252 388 D C -1.730 174.413 176.300 -0.262 0.000 1.166 388 D CA -1.465 52.399 54.000 -0.227 0.000 0.879 388 D CB 1.456 42.177 40.800 -0.132 0.000 1.164 388 D HN -0.088 nan 8.370 nan 0.000 0.462 389 P HA -0.207 nan 4.420 nan 0.000 0.216 389 P C 1.410 178.596 177.300 -0.189 0.000 1.153 389 P CA 2.175 65.075 63.100 -0.332 0.000 0.858 389 P CB 0.066 31.495 31.700 -0.452 0.000 0.789 390 R N 0.464 120.862 120.500 -0.169 0.000 2.092 390 R HA -0.131 4.215 4.340 0.010 0.000 0.231 390 R C 2.187 178.438 176.300 -0.081 0.000 1.119 390 R CA 1.651 57.691 56.100 -0.101 0.000 0.970 390 R CB -1.985 28.278 30.300 -0.061 0.000 0.864 390 R HN 0.213 nan 8.270 nan 0.000 0.440 391 E N 0.667 120.820 120.200 -0.078 0.000 2.072 391 E HA -0.072 4.285 4.350 0.010 0.000 0.190 391 E C 2.107 178.684 176.600 -0.038 0.000 0.982 391 E CA 1.524 57.895 56.400 -0.048 0.000 0.803 391 E CB -0.151 29.521 29.700 -0.046 0.000 0.755 391 E HN 0.339 nan 8.360 nan 0.000 0.453 392 V N 1.375 121.270 119.914 -0.030 0.000 2.343 392 V HA -0.275 3.851 4.120 0.010 0.000 0.247 392 V C 2.612 178.720 176.094 0.024 0.000 1.051 392 V CA 1.939 64.274 62.300 0.058 0.000 1.036 392 V CB -0.596 31.279 31.823 0.086 0.000 0.654 392 V HN 0.267 nan 8.190 nan 0.000 0.451 393 M N 1.196 120.723 119.600 -0.122 0.000 2.067 393 M HA -0.172 4.315 4.480 0.010 0.000 0.260 393 M C 1.881 177.902 176.300 -0.464 0.000 1.069 393 M CA 2.202 57.299 55.300 -0.338 0.000 1.117 393 M CB -0.898 31.431 32.600 -0.451 0.000 1.334 393 M HN 0.356 nan 8.290 nan 0.000 0.407 394 N N -1.193 117.348 118.700 -0.265 0.000 2.166 394 N HA -0.217 4.529 4.740 0.010 0.000 0.186 394 N C 1.822 177.330 175.510 -0.003 0.000 1.019 394 N CA 1.782 54.796 53.050 -0.060 0.000 0.856 394 N CB -0.237 38.294 38.487 0.075 0.000 0.993 394 N HN 0.641 nan 8.380 nan 0.000 0.426 395 H N -1.445 117.533 119.070 -0.154 0.000 2.307 395 H HA 0.008 4.570 4.556 0.011 0.000 0.303 395 H C 1.308 176.468 175.328 -0.280 0.000 1.073 395 H CA 1.950 57.838 56.048 -0.266 0.000 1.338 395 H CB -0.208 29.277 29.762 -0.462 0.000 1.389 395 H HN 0.350 nan 8.280 nan 0.000 0.503 396 Y N -1.135 119.114 120.300 -0.085 0.000 2.389 396 Y HA 0.015 4.569 4.550 0.006 0.000 0.292 396 Y C 2.046 177.996 175.900 0.083 0.000 1.117 396 Y CA 0.085 58.149 58.100 -0.061 0.000 1.195 396 Y CB 0.457 38.915 38.460 -0.003 0.000 1.076 396 Y HN 0.201 nan 8.280 nan 0.000 0.548 397 I N -1.285 119.342 120.570 0.094 0.000 2.429 397 I HA -0.132 4.044 4.170 0.010 0.000 0.247 397 I C 1.826 178.053 176.117 0.184 0.000 1.099 397 I CA 1.383 62.703 61.300 0.033 0.000 1.422 397 I CB -1.419 36.485 38.000 -0.160 0.000 1.112 397 I HN 0.200 nan 8.210 nan 0.000 0.430 398 F N 1.332 121.315 119.950 0.055 0.000 2.473 398 F HA 0.215 4.749 4.527 0.012 0.000 0.294 398 F C 1.835 177.646 175.800 0.019 0.000 1.103 398 F CA -0.189 57.829 58.000 0.030 0.000 1.442 398 F CB -0.223 38.791 39.000 0.023 0.000 1.097 398 F HN 0.053 nan 8.300 nan 0.000 0.547 399 G N 1.100 109.999 108.800 0.166 0.000 2.606 399 G HA2 0.206 4.172 3.960 0.010 0.000 0.252 399 G HA3 0.206 4.172 3.960 0.010 0.000 0.252 399 G C -0.398 174.533 174.900 0.052 0.000 1.206 399 G CA -0.550 44.576 45.100 0.044 0.000 0.861 399 G HN -0.130 nan 8.290 nan 0.000 0.561 400 K N 0.827 121.231 120.400 0.007 0.000 2.098 400 K HA 0.322 4.648 4.320 0.010 0.000 0.261 400 K C -2.252 174.315 176.600 -0.056 0.000 0.987 400 K CA -1.541 54.758 56.287 0.020 0.000 0.916 400 K CB 1.358 33.867 32.500 0.015 0.000 1.039 400 K HN 0.205 nan 8.250 nan 0.000 0.455 401 P HA 0.065 nan 4.420 nan 0.000 0.269 401 P C -0.680 176.574 177.300 -0.077 0.000 1.215 401 P CA -0.144 62.874 63.100 -0.136 0.000 0.780 401 P CB 0.449 32.096 31.700 -0.088 0.000 0.898 402 E N 0.860 121.018 120.200 -0.069 0.000 2.404 402 E HA 0.115 4.472 4.350 0.010 0.000 0.261 402 E C -0.011 176.603 176.600 0.025 0.000 1.074 402 E CA 0.022 56.425 56.400 0.005 0.000 0.917 402 E CB 0.211 29.937 29.700 0.043 0.000 0.965 402 E HN 0.238 nan 8.360 nan 0.000 0.433 403 K N 1.248 121.673 120.400 0.042 0.000 2.202 403 K HA 0.272 4.598 4.320 0.010 0.000 0.264 403 K C -0.287 176.277 176.600 -0.059 0.000 1.010 403 K CA -0.373 55.873 56.287 -0.069 0.000 0.940 403 K CB 0.550 32.918 32.500 -0.220 0.000 0.983 403 K HN 0.319 nan 8.250 nan 0.000 0.475 404 L N 3.127 124.295 121.223 -0.091 0.000 2.292 404 L HA 0.364 4.710 4.340 0.010 0.000 0.284 404 L C -0.587 176.214 176.870 -0.115 0.000 1.065 404 L CA -0.494 54.364 54.840 0.030 0.000 0.806 404 L CB 0.232 42.349 42.059 0.096 0.000 1.175 404 L HN 0.388 nan 8.230 nan 0.000 0.431 405 F N 0.682 120.688 119.950 0.094 0.000 2.480 405 F HA 0.295 4.830 4.527 0.014 0.000 0.329 405 F C 0.775 176.630 175.800 0.092 0.000 1.091 405 F CA -0.499 57.523 58.000 0.037 0.000 0.972 405 F CB 1.966 40.958 39.000 -0.014 0.000 1.150 405 F HN 0.374 nan 8.300 nan 0.000 0.467 406 S N 1.592 117.415 115.700 0.206 0.000 2.560 406 S HA 0.036 4.513 4.470 0.010 0.000 0.284 406 S C 0.463 175.204 174.600 0.234 0.000 1.327 406 S CA -0.341 58.002 58.200 0.239 0.000 1.055 406 S CB 0.493 63.808 63.200 0.191 0.000 0.868 406 S HN 0.613 nan 8.310 nan 0.000 0.506 407 Q N 3.577 123.470 119.800 0.155 0.000 2.175 407 Q HA 0.180 4.526 4.340 0.010 0.000 0.225 407 Q C 0.973 176.984 176.000 0.019 0.000 0.837 407 Q CA -0.286 55.571 55.803 0.090 0.000 1.032 407 Q CB 0.245 29.022 28.738 0.065 0.000 1.137 407 Q HN 0.729 nan 8.270 nan 0.000 0.483 408 L N 0.303 121.524 121.223 -0.004 0.000 2.265 408 L HA -0.049 4.297 4.340 0.010 0.000 0.215 408 L C 1.872 178.597 176.870 -0.242 0.000 1.117 408 L CA 1.462 56.220 54.840 -0.136 0.000 0.782 408 L CB -0.339 41.596 42.059 -0.206 0.000 0.914 408 L HN 0.039 nan 8.230 nan 0.000 0.441 409 S N -0.293 115.255 115.700 -0.254 0.000 2.507 409 S HA -0.079 4.397 4.470 0.010 0.000 0.235 409 S C 0.926 175.439 174.600 -0.146 0.000 0.988 409 S CA -0.071 57.989 58.200 -0.234 0.000 0.944 409 S CB -0.849 62.263 63.200 -0.146 0.000 0.762 409 S HN 0.585 nan 8.310 nan 0.000 0.526 410 N N 2.255 120.889 118.700 -0.110 0.000 2.332 410 N HA -0.107 4.639 4.740 0.010 0.000 0.274 410 N C 0.888 176.322 175.510 -0.126 0.000 1.351 410 N CA 0.315 53.307 53.050 -0.097 0.000 0.875 410 N CB 0.726 39.171 38.487 -0.071 0.000 1.140 410 N HN 0.217 nan 8.380 nan 0.000 0.489 411 E N 2.698 122.815 120.200 -0.140 0.000 2.118 411 E HA -0.177 4.179 4.350 0.010 0.000 0.195 411 E C 1.684 178.167 176.600 -0.195 0.000 0.992 411 E CA 1.562 57.856 56.400 -0.175 0.000 0.804 411 E CB -0.204 29.381 29.700 -0.192 0.000 0.741 411 E HN 0.659 nan 8.360 nan 0.000 0.458 412 S N -0.055 115.542 115.700 -0.173 0.000 2.343 412 S HA -0.175 4.301 4.470 0.010 0.000 0.219 412 S C 1.792 176.304 174.600 -0.147 0.000 1.033 412 S CA 1.571 59.673 58.200 -0.165 0.000 1.014 412 S CB -0.462 62.665 63.200 -0.121 0.000 0.915 412 S HN 0.329 nan 8.310 nan 0.000 0.435 413 N N 1.328 119.958 118.700 -0.117 0.000 2.188 413 N HA -0.045 4.701 4.740 0.010 0.000 0.184 413 N C 1.680 177.117 175.510 -0.121 0.000 1.018 413 N CA 1.057 54.043 53.050 -0.106 0.000 0.858 413 N CB -0.806 37.643 38.487 -0.065 0.000 0.989 413 N HN 0.364 nan 8.380 nan 0.000 0.426 414 L N 1.719 122.863 121.223 -0.132 0.000 2.093 414 L HA -0.033 4.313 4.340 0.010 0.000 0.208 414 L C 2.168 178.948 176.870 -0.150 0.000 1.085 414 L CA 1.417 56.174 54.840 -0.138 0.000 0.755 414 L CB -0.280 41.689 42.059 -0.151 0.000 0.904 414 L HN 0.006 nan 8.230 nan 0.000 0.435 415 R N -1.543 118.850 120.500 -0.179 0.000 2.092 415 R HA -0.111 4.236 4.340 0.010 0.000 0.231 415 R C 2.504 178.695 176.300 -0.181 0.000 1.119 415 R CA 1.311 57.296 56.100 -0.192 0.000 0.970 415 R CB -0.497 29.639 30.300 -0.273 0.000 0.864 415 R HN 0.419 nan 8.270 nan 0.000 0.440 416 S N 0.335 115.924 115.700 -0.186 0.000 2.368 416 S HA -0.131 4.345 4.470 0.010 0.000 0.224 416 S C 1.898 176.397 174.600 -0.168 0.000 1.029 416 S CA 1.022 59.101 58.200 -0.202 0.000 0.988 416 S CB 0.076 63.131 63.200 -0.242 0.000 0.838 416 S HN 0.225 nan 8.310 nan 0.000 0.462 417 Q N 0.505 120.221 119.800 -0.140 0.000 2.172 417 Q HA 0.024 4.370 4.340 0.010 0.000 0.200 417 Q C 2.400 178.314 176.000 -0.143 0.000 0.964 417 Q CA 1.013 56.748 55.803 -0.113 0.000 0.855 417 Q CB -0.692 27.992 28.738 -0.089 0.000 0.918 417 Q HN 0.497 nan 8.270 nan 0.000 0.444 418 V N 1.187 121.018 119.914 -0.138 0.000 2.379 418 V HA -0.211 3.915 4.120 0.010 0.000 0.245 418 V C 2.269 178.300 176.094 -0.104 0.000 1.044 418 V CA 1.243 63.463 62.300 -0.132 0.000 1.036 418 V CB -0.525 31.236 31.823 -0.103 0.000 0.664 418 V HN 0.227 nan 8.190 nan 0.000 0.453 419 L N 1.027 122.188 121.223 -0.105 0.000 2.056 419 L HA -0.018 4.328 4.340 0.010 0.000 0.207 419 L C 2.450 179.283 176.870 -0.062 0.000 1.078 419 L CA 2.338 57.126 54.840 -0.086 0.000 0.749 419 L CB -1.035 40.934 42.059 -0.151 0.000 0.901 419 L HN 0.206 nan 8.230 nan 0.000 0.433 420 A N -0.314 122.465 122.820 -0.067 0.000 1.908 420 A HA -0.203 4.123 4.320 0.010 0.000 0.218 420 A C 2.287 179.922 177.584 0.084 0.000 1.181 420 A CA 2.125 54.149 52.037 -0.022 0.000 0.627 420 A CB -0.973 18.057 19.000 0.051 0.000 0.818 420 A HN 0.523 nan 8.150 nan 0.000 0.445 421 L N -0.783 120.463 121.223 0.038 0.000 2.042 421 L HA -0.209 4.137 4.340 0.010 0.000 0.210 421 L C 2.502 179.456 176.870 0.140 0.000 1.076 421 L CA 1.510 56.336 54.840 -0.023 0.000 0.749 421 L CB -0.494 41.231 42.059 -0.556 0.000 0.893 421 L HN 0.410 nan 8.230 nan 0.000 0.432 422 I N -0.545 120.067 120.570 0.071 0.000 2.233 422 I HA -0.186 3.990 4.170 0.010 0.000 0.243 422 I C 2.677 178.829 176.117 0.058 0.000 1.093 422 I CA 1.105 62.467 61.300 0.103 0.000 1.380 422 I CB -0.418 37.621 38.000 0.065 0.000 1.067 422 I HN 0.140 nan 8.210 nan 0.000 0.413 423 A N 0.193 123.016 122.820 0.004 0.000 2.016 423 A HA -0.102 4.224 4.320 0.010 0.000 0.217 423 A C 2.134 179.646 177.584 -0.120 0.000 1.162 423 A CA 1.948 53.962 52.037 -0.037 0.000 0.662 423 A CB -0.611 18.369 19.000 -0.034 0.000 0.812 423 A HN 0.512 nan 8.150 nan 0.000 0.450 424 T N -6.269 108.150 114.554 -0.225 0.000 3.041 424 T HA 0.349 4.705 4.350 0.010 0.000 0.276 424 T C 0.498 174.822 174.700 -0.626 0.000 0.948 424 T CA -0.087 61.731 62.100 -0.470 0.000 0.885 424 T CB -0.310 68.135 68.868 -0.705 0.000 1.175 424 T HN 0.181 nan 8.240 nan 0.000 0.529 425 F N 1.795 121.750 119.950 0.009 0.000 2.698 425 F HA 0.556 5.089 4.527 0.010 0.000 0.304 425 F C 1.724 177.643 175.800 0.198 0.000 1.108 425 F CA -0.408 57.648 58.000 0.094 0.000 1.263 425 F CB 0.719 39.789 39.000 0.117 0.000 1.013 425 F HN 0.306 nan 8.300 nan 0.000 0.532 426 G N 0.096 109.027 108.800 0.218 0.000 2.203 426 G HA2 -0.359 3.607 3.960 0.010 0.000 0.263 426 G HA3 -0.359 3.607 3.960 0.010 0.000 0.263 426 G C -0.221 174.747 174.900 0.113 0.000 1.012 426 G CA -0.147 45.029 45.100 0.127 0.000 0.749 426 G HN 0.323 nan 8.290 nan 0.000 0.512 427 Y N 0.878 121.214 120.300 0.061 0.000 2.436 427 Y HA 0.395 4.952 4.550 0.011 0.000 0.336 427 Y C 1.567 177.486 175.900 0.033 0.000 1.049 427 Y CA -0.043 58.084 58.100 0.046 0.000 1.294 427 Y CB 1.505 39.986 38.460 0.033 0.000 1.179 427 Y HN 0.318 nan 8.280 nan 0.000 0.520 428 S N -0.277 115.480 115.700 0.095 0.000 2.666 428 S HA 0.225 4.701 4.470 0.010 0.000 0.239 428 S C 0.188 174.827 174.600 0.064 0.000 1.031 428 S CA 0.178 58.420 58.200 0.070 0.000 1.015 428 S CB -0.082 63.139 63.200 0.034 0.000 0.981 428 S HN 0.637 nan 8.310 nan 0.000 0.547 429 T N -2.339 112.262 114.554 0.078 0.000 2.883 429 T HA 0.576 4.932 4.350 0.010 0.000 0.301 429 T C 0.885 175.636 174.700 0.085 0.000 1.158 429 T CA -0.431 61.708 62.100 0.065 0.000 1.007 429 T CB 1.290 70.186 68.868 0.045 0.000 1.186 429 T HN -0.134 nan 8.240 nan 0.000 0.499 430 V N 1.519 121.470 119.914 0.061 0.000 2.392 430 V HA -0.129 3.997 4.120 0.010 0.000 0.249 430 V C 2.572 178.714 176.094 0.080 0.000 1.059 430 V CA 2.276 64.610 62.300 0.057 0.000 1.051 430 V CB -1.088 30.751 31.823 0.027 0.000 0.658 430 V HN 0.942 nan 8.190 nan 0.000 0.455 431 E N 0.326 120.570 120.200 0.072 0.000 2.085 431 E HA -0.224 4.132 4.350 0.010 0.000 0.194 431 E C 2.149 178.816 176.600 0.110 0.000 0.994 431 E CA 1.530 57.976 56.400 0.077 0.000 0.801 431 E CB -0.296 29.438 29.700 0.056 0.000 0.743 431 E HN 0.688 nan 8.360 nan 0.000 0.453 432 E N 0.276 120.551 120.200 0.124 0.000 2.072 432 E HA -0.123 4.233 4.350 0.010 0.000 0.191 432 E C 2.157 178.990 176.600 0.388 0.000 0.985 432 E CA 0.817 57.320 56.400 0.171 0.000 0.801 432 E CB -0.154 29.577 29.700 0.052 0.000 0.750 432 E HN 0.267 nan 8.360 nan 0.000 0.452 433 I N 1.177 121.965 120.570 0.363 0.000 2.163 433 I HA -0.296 3.881 4.170 0.010 0.000 0.243 433 I C 2.327 178.582 176.117 0.229 0.000 1.085 433 I CA 1.142 62.608 61.300 0.278 0.000 1.347 433 I CB -0.259 37.813 38.000 0.120 0.000 1.044 433 I HN 0.128 nan 8.210 nan 0.000 0.408 434 L N 0.364 121.687 121.223 0.167 0.000 2.265 434 L HA -0.197 4.149 4.340 0.010 0.000 0.215 434 L C 2.488 179.447 176.870 0.148 0.000 1.117 434 L CA 0.860 55.779 54.840 0.131 0.000 0.782 434 L CB -0.510 41.608 42.059 0.099 0.000 0.914 434 L HN 0.184 nan 8.230 nan 0.000 0.441 435 K N 0.580 121.096 120.400 0.192 0.000 2.025 435 K HA -0.200 4.126 4.320 0.010 0.000 0.207 435 K C 1.954 178.680 176.600 0.210 0.000 1.049 435 K CA 1.476 57.871 56.287 0.179 0.000 0.933 435 K CB -0.470 32.140 32.500 0.182 0.000 0.714 435 K HN 0.096 nan 8.250 nan 0.000 0.438 436 F N 0.946 120.996 119.950 0.167 0.000 2.095 436 F HA -0.186 4.346 4.527 0.009 0.000 0.298 436 F C 1.644 177.464 175.800 0.033 0.000 1.104 436 F CA 1.393 59.445 58.000 0.087 0.000 1.232 436 F CB -0.190 38.778 39.000 -0.054 0.000 0.987 436 F HN -0.034 nan 8.300 nan 0.000 0.475 437 I N 0.756 121.384 120.570 0.097 0.000 2.194 437 I HA -0.305 3.871 4.170 0.010 0.000 0.246 437 I C 2.690 178.789 176.117 -0.030 0.000 1.093 437 I CA 1.845 63.144 61.300 -0.001 0.000 1.355 437 I CB -1.987 36.052 38.000 0.065 0.000 1.046 437 I HN 0.357 nan 8.210 nan 0.000 0.413 438 S N 1.014 116.723 115.700 0.015 0.000 2.465 438 S HA -0.120 4.356 4.470 0.010 0.000 0.241 438 S C 1.314 175.936 174.600 0.037 0.000 1.000 438 S CA 1.011 59.229 58.200 0.030 0.000 0.964 438 S CB -0.483 62.746 63.200 0.048 0.000 0.763 438 S HN 0.448 nan 8.310 nan 0.000 0.512 439 N N 1.942 120.624 118.700 -0.030 0.000 2.235 439 N HA 0.128 4.874 4.740 0.010 0.000 0.209 439 N C 0.265 175.878 175.510 0.171 0.000 1.122 439 N CA 0.579 53.654 53.050 0.042 0.000 0.845 439 N CB 0.650 39.097 38.487 -0.068 0.000 1.004 439 N HN 0.746 nan 8.380 nan 0.000 0.499 440 T N -2.874 111.688 114.554 0.014 0.000 2.874 440 T HA 0.189 4.545 4.350 0.010 0.000 0.281 440 T C 1.116 175.622 174.700 -0.324 0.000 0.994 440 T CA -0.662 61.415 62.100 -0.038 0.000 1.015 440 T CB 0.939 69.735 68.868 -0.120 0.000 1.028 440 T HN -0.062 nan 8.240 nan 0.000 0.523 441 F N 0.660 119.872 119.950 -1.230 0.000 2.186 441 F HA -0.001 4.531 4.527 0.009 0.000 0.299 441 F C 2.044 177.517 175.800 -0.545 0.000 1.090 441 F CA 0.573 57.642 58.000 -1.552 0.000 1.307 441 F CB -0.874 37.158 39.000 -1.614 0.000 1.019 441 F HN 0.804 nan 8.300 nan 0.000 0.489 442 Y N 0.734 120.764 120.300 -0.449 0.000 2.081 442 Y HA -0.295 4.260 4.550 0.009 0.000 0.280 442 Y C 2.448 178.158 175.900 -0.316 0.000 1.163 442 Y CA 2.393 60.290 58.100 -0.338 0.000 1.135 442 Y CB -0.928 37.418 38.460 -0.191 0.000 0.970 442 Y HN 0.051 nan 8.280 nan 0.000 0.498 443 A N -1.039 121.716 122.820 -0.109 0.000 1.969 443 A HA -0.221 4.105 4.320 0.010 0.000 0.218 443 A C 2.114 179.565 177.584 -0.222 0.000 1.169 443 A CA 1.492 53.445 52.037 -0.140 0.000 0.635 443 A CB -1.496 17.503 19.000 -0.001 0.000 0.810 443 A HN 0.728 nan 8.150 nan 0.000 0.445 444 Y N 0.896 120.997 120.300 -0.330 0.000 2.181 444 Y HA -0.234 4.322 4.550 0.009 0.000 0.288 444 Y C 2.402 178.080 175.900 -0.370 0.000 1.146 444 Y CA 2.306 60.243 58.100 -0.272 0.000 1.164 444 Y CB -0.223 38.114 38.460 -0.206 0.000 0.982 444 Y HN 0.470 nan 8.280 nan 0.000 0.515 445 Q N 0.144 119.599 119.800 -0.576 0.000 2.435 445 Q HA 0.019 4.365 4.340 0.010 0.000 0.207 445 Q C 0.260 175.974 176.000 -0.477 0.000 0.956 445 Q CA 0.527 55.981 55.803 -0.582 0.000 0.917 445 Q CB 0.174 28.491 28.738 -0.701 0.000 0.997 445 Q HN 0.364 nan 8.270 nan 0.000 0.497 446 R N -0.050 120.165 120.500 -0.474 0.000 2.828 446 R HA 0.275 4.621 4.340 0.010 0.000 0.264 446 R C 0.789 176.896 176.300 -0.323 0.000 1.022 446 R CA -0.754 55.107 56.100 -0.397 0.000 1.021 446 R CB 0.862 30.879 30.300 -0.471 0.000 1.163 446 R HN -0.200 nan 8.270 nan 0.000 0.494 447 K N 0.821 121.054 120.400 -0.278 0.000 2.262 447 K HA 0.008 4.334 4.320 0.010 0.000 0.200 447 K C -0.173 176.256 176.600 -0.286 0.000 1.049 447 K CA 1.076 57.221 56.287 -0.238 0.000 0.979 447 K CB -0.028 32.360 32.500 -0.187 0.000 0.773 447 K HN 0.746 nan 8.250 nan 0.000 0.474 448 D N -2.333 117.844 120.400 -0.372 0.000 2.599 448 D HA 0.121 4.767 4.640 0.010 0.000 0.252 448 D C -0.479 175.562 176.300 -0.431 0.000 1.232 448 D CA -0.738 52.921 54.000 -0.569 0.000 0.819 448 D CB 1.307 41.422 40.800 -1.141 0.000 1.401 448 D HN -0.112 nan 8.370 nan 0.000 0.429 449 T N -2.632 111.710 114.554 -0.355 0.000 3.533 449 T HA 0.209 4.565 4.350 0.010 0.000 0.275 449 T C 0.379 175.120 174.700 0.068 0.000 1.000 449 T CA -0.531 61.549 62.100 -0.034 0.000 1.015 449 T CB -1.100 67.835 68.868 0.113 0.000 1.153 449 T HN 0.490 nan 8.240 nan 0.000 0.504 450 Y N 1.111 121.436 120.300 0.042 0.000 2.128 450 Y HA -0.166 4.390 4.550 0.010 0.000 0.284 450 Y C 3.020 178.935 175.900 0.025 0.000 1.154 450 Y CA 0.787 58.902 58.100 0.025 0.000 1.149 450 Y CB -0.195 38.272 38.460 0.012 0.000 0.976 450 Y HN 0.354 nan 8.280 nan 0.000 0.505 451 S N 0.312 116.125 115.700 0.189 0.000 2.355 451 S HA -0.180 4.296 4.470 0.010 0.000 0.222 451 S C 1.951 176.588 174.600 0.061 0.000 1.031 451 S CA 1.121 59.385 58.200 0.107 0.000 0.993 451 S CB -0.560 62.692 63.200 0.087 0.000 0.859 451 S HN 0.272 nan 8.310 nan 0.000 0.453 452 L N 2.091 123.351 121.223 0.061 0.000 2.012 452 L HA -0.149 4.197 4.340 0.010 0.000 0.210 452 L C 2.356 179.212 176.870 -0.023 0.000 1.073 452 L CA 2.085 56.898 54.840 -0.045 0.000 0.748 452 L CB -0.595 41.386 42.059 -0.130 0.000 0.891 452 L HN 0.381 nan 8.230 nan 0.000 0.431 453 E N -0.946 119.277 120.200 0.037 0.000 2.085 453 E HA -0.263 4.094 4.350 0.010 0.000 0.194 453 E C 1.904 178.509 176.600 0.007 0.000 0.994 453 E CA 1.409 57.830 56.400 0.035 0.000 0.801 453 E CB -0.070 29.684 29.700 0.090 0.000 0.743 453 E HN 0.528 nan 8.360 nan 0.000 0.453 454 E N 0.558 120.771 120.200 0.022 0.000 2.150 454 E HA -0.171 4.185 4.350 0.010 0.000 0.193 454 E C 1.917 178.504 176.600 -0.022 0.000 0.985 454 E CA 0.783 57.186 56.400 0.005 0.000 0.814 454 E CB -0.115 29.600 29.700 0.026 0.000 0.752 454 E HN 0.285 nan 8.360 nan 0.000 0.466 455 K N 0.731 121.113 120.400 -0.030 0.000 2.097 455 K HA -0.057 4.269 4.320 0.010 0.000 0.205 455 K C 2.161 178.714 176.600 -0.078 0.000 1.050 455 K CA 0.674 56.927 56.287 -0.056 0.000 0.938 455 K CB -0.008 32.447 32.500 -0.076 0.000 0.718 455 K HN 0.025 nan 8.250 nan 0.000 0.442 456 I N 0.574 121.096 120.570 -0.079 0.000 2.286 456 I HA -0.217 3.959 4.170 0.010 0.000 0.245 456 I C 2.373 178.418 176.117 -0.119 0.000 1.104 456 I CA 0.966 62.213 61.300 -0.088 0.000 1.397 456 I CB -0.132 37.830 38.000 -0.064 0.000 1.072 456 I HN 0.135 nan 8.210 nan 0.000 0.417 457 R N 0.613 121.027 120.500 -0.142 0.000 2.105 457 R HA -0.140 4.206 4.340 0.010 0.000 0.239 457 R C 1.987 178.006 176.300 -0.469 0.000 1.135 457 R CA 1.291 57.224 56.100 -0.279 0.000 0.967 457 R CB -0.352 29.815 30.300 -0.221 0.000 0.861 457 R HN 0.440 nan 8.270 nan 0.000 0.442 458 N N 0.478 119.043 118.700 -0.225 0.000 2.354 458 N HA -0.037 4.709 4.740 0.010 0.000 0.179 458 N C 1.778 177.298 175.510 0.016 0.000 1.021 458 N CA 0.847 53.858 53.050 -0.065 0.000 0.887 458 N CB 0.137 38.663 38.487 0.064 0.000 0.974 458 N HN 0.226 nan 8.380 nan 0.000 0.437 459 I N 1.170 121.716 120.570 -0.040 0.000 2.315 459 I HA -0.212 3.964 4.170 0.010 0.000 0.248 459 I C 2.099 178.266 176.117 0.084 0.000 1.117 459 I CA 0.706 62.014 61.300 0.014 0.000 1.404 459 I CB -0.127 37.836 38.000 -0.062 0.000 1.071 459 I HN 0.048 nan 8.210 nan 0.000 0.419 460 L N -0.450 120.751 121.223 -0.037 0.000 2.042 460 L HA -0.262 4.084 4.340 0.010 0.000 0.210 460 L C 2.557 179.490 176.870 0.106 0.000 1.076 460 L CA 1.777 56.607 54.840 -0.017 0.000 0.749 460 L CB -0.816 41.165 42.059 -0.130 0.000 0.893 460 L HN 0.260 nan 8.230 nan 0.000 0.432 461 Y N -1.309 119.057 120.300 0.110 0.000 2.145 461 Y HA -0.343 4.212 4.550 0.009 0.000 0.286 461 Y C 2.571 178.555 175.900 0.140 0.000 1.145 461 Y CA 1.145 59.308 58.100 0.105 0.000 1.148 461 Y CB -0.368 38.150 38.460 0.096 0.000 0.981 461 Y HN 0.092 nan 8.280 nan 0.000 0.507 462 F N 0.829 120.906 119.950 0.213 0.000 2.095 462 F HA -0.264 4.271 4.527 0.013 0.000 0.298 462 F C 1.879 177.792 175.800 0.189 0.000 1.104 462 F CA 1.564 59.661 58.000 0.162 0.000 1.232 462 F CB -0.552 38.509 39.000 0.103 0.000 0.987 462 F HN -0.105 nan 8.300 nan 0.000 0.475 463 L N -0.564 120.803 121.223 0.240 0.000 2.093 463 L HA -0.212 4.134 4.340 0.010 0.000 0.208 463 L C 2.376 179.354 176.870 0.180 0.000 1.085 463 L CA 0.348 55.311 54.840 0.205 0.000 0.755 463 L CB -0.733 41.425 42.059 0.164 0.000 0.904 463 L HN 0.238 nan 8.230 nan 0.000 0.435 464 L N 0.021 121.329 121.223 0.141 0.000 2.023 464 L HA -0.155 4.191 4.340 0.010 0.000 0.205 464 L C 2.548 179.442 176.870 0.040 0.000 1.073 464 L CA 1.737 56.639 54.840 0.104 0.000 0.745 464 L CB -1.078 41.066 42.059 0.143 0.000 0.900 464 L HN 0.270 nan 8.230 nan 0.000 0.435 465 E N -0.480 119.738 120.200 0.029 0.000 2.118 465 E HA -0.207 4.149 4.350 0.010 0.000 0.195 465 E C 1.469 178.009 176.600 -0.099 0.000 0.992 465 E CA 1.089 57.472 56.400 -0.029 0.000 0.804 465 E CB -0.113 29.577 29.700 -0.016 0.000 0.741 465 E HN 0.491 nan 8.360 nan 0.000 0.458 466 N N 0.717 119.321 118.700 -0.161 0.000 2.461 466 N HA -0.046 4.700 4.740 0.010 0.000 0.188 466 N C -0.611 174.695 175.510 -0.339 0.000 1.134 466 N CA 0.387 53.285 53.050 -0.253 0.000 0.878 466 N CB 0.397 38.691 38.487 -0.322 0.000 0.972 466 N HN 0.193 nan 8.380 nan 0.000 0.456 467 E N -1.191 118.901 120.200 -0.181 0.000 2.553 467 E HA -0.212 4.144 4.350 0.010 0.000 0.264 467 E C -0.228 176.231 176.600 -0.235 0.000 1.068 467 E CA 0.148 56.438 56.400 -0.184 0.000 0.774 467 E CB -1.995 27.580 29.700 -0.209 0.000 1.349 467 E HN 0.367 nan 8.360 nan 0.000 0.404 468 F N -0.310 119.601 119.950 -0.066 0.000 2.530 468 F HA 0.261 4.795 4.527 0.010 0.000 0.292 468 F C 1.523 177.311 175.800 -0.020 0.000 1.109 468 F CA 0.639 58.615 58.000 -0.040 0.000 1.450 468 F CB 0.402 39.387 39.000 -0.026 0.000 1.114 468 F HN 0.149 nan 8.300 nan 0.000 0.560 469 I N -2.062 118.613 120.570 0.175 0.000 3.343 469 I HA 0.652 4.828 4.170 0.010 0.000 0.315 469 I C -1.100 175.058 176.117 0.068 0.000 1.153 469 I CA -1.005 60.359 61.300 0.106 0.000 0.952 469 I CB 2.403 40.467 38.000 0.107 0.000 1.287 469 I HN -0.023 nan 8.210 nan 0.000 0.472 470 E N 1.327 121.560 120.200 0.056 0.000 2.401 470 E HA 0.488 4.844 4.350 0.010 0.000 0.280 470 E C -1.944 174.683 176.600 0.045 0.000 1.039 470 E CA -0.905 55.522 56.400 0.044 0.000 0.814 470 E CB 2.339 32.055 29.700 0.026 0.000 1.275 470 E HN 0.668 nan 8.360 nan 0.000 0.448 471 I N 3.111 123.707 120.570 0.044 0.000 2.304 471 I HA 0.180 4.357 4.170 0.010 0.000 0.291 471 I C 0.697 176.833 176.117 0.032 0.000 1.018 471 I CA -0.493 60.832 61.300 0.042 0.000 1.260 471 I CB 1.315 39.344 38.000 0.048 0.000 1.390 471 I HN 0.661 nan 8.210 nan 0.000 0.475 472 S N 6.383 122.100 115.700 0.028 0.000 2.626 472 S HA 0.263 4.739 4.470 0.010 0.000 0.257 472 S C 1.034 175.646 174.600 0.020 0.000 1.288 472 S CA -0.559 57.654 58.200 0.022 0.000 0.980 472 S CB 0.685 63.897 63.200 0.020 0.000 0.975 472 S HN 0.591 nan 8.310 nan 0.000 0.577 473 L N 0.276 121.509 121.223 0.016 0.000 2.465 473 L HA 0.038 4.384 4.340 0.010 0.000 0.224 473 L C 2.024 178.903 176.870 0.015 0.000 1.145 473 L CA 0.857 55.706 54.840 0.014 0.000 0.834 473 L CB -0.557 41.508 42.059 0.011 0.000 0.944 473 L HN 0.685 nan 8.230 nan 0.000 0.451 474 E N -0.471 119.738 120.200 0.016 0.000 2.479 474 E HA -0.049 4.307 4.350 0.010 0.000 0.193 474 E C -0.281 176.330 176.600 0.018 0.000 1.049 474 E CA 0.134 56.543 56.400 0.015 0.000 0.870 474 E CB 0.221 29.929 29.700 0.014 0.000 0.944 474 E HN 0.308 nan 8.360 nan 0.000 0.492 475 D N 0.729 121.142 120.400 0.022 0.000 3.017 475 D HA -0.118 4.528 4.640 0.010 0.000 0.220 475 D C -0.097 176.221 176.300 0.029 0.000 1.141 475 D CA 0.922 54.938 54.000 0.026 0.000 0.848 475 D CB -0.826 39.988 40.800 0.024 0.000 1.102 475 D HN 0.106 nan 8.370 nan 0.000 0.427 476 K N -0.074 120.343 120.400 0.028 0.000 2.185 476 K HA 0.617 4.944 4.320 0.010 0.000 0.240 476 K C 0.714 177.337 176.600 0.038 0.000 0.983 476 K CA -0.759 55.547 56.287 0.031 0.000 0.873 476 K CB 1.345 33.860 32.500 0.026 0.000 1.118 476 K HN 0.050 nan 8.250 nan 0.000 0.441 477 I N 3.184 123.781 120.570 0.045 0.000 2.315 477 I HA 0.248 4.425 4.170 0.010 0.000 0.291 477 I C 0.186 176.335 176.117 0.052 0.000 1.006 477 I CA -0.540 60.792 61.300 0.052 0.000 1.265 477 I CB 0.633 38.669 38.000 0.061 0.000 1.387 477 I HN 0.110 nan 8.210 nan 0.000 0.475 478 R N 7.198 127.726 120.500 0.047 0.000 2.795 478 R HA 0.586 4.932 4.340 0.010 0.000 0.275 478 R C -2.736 173.592 176.300 0.046 0.000 0.981 478 R CA -2.142 53.983 56.100 0.043 0.000 0.917 478 R CB 1.961 32.280 30.300 0.031 0.000 1.202 478 R HN 0.271 nan 8.270 nan 0.000 0.469 479 P HA 0.399 nan 4.420 nan 0.000 0.278 479 P C -0.546 176.776 177.300 0.036 0.000 1.258 479 P CA -0.446 62.682 63.100 0.048 0.000 0.811 479 P CB 1.217 32.939 31.700 0.037 0.000 1.063 480 L N 0.305 121.553 121.223 0.041 0.000 2.304 480 L HA 0.309 4.655 4.340 0.010 0.000 0.268 480 L C 2.011 178.890 176.870 0.016 0.000 1.010 480 L CA -0.668 54.181 54.840 0.015 0.000 0.813 480 L CB 0.947 43.002 42.059 -0.007 0.000 1.315 480 L HN 0.289 nan 8.230 nan 0.000 0.445 481 S N 0.325 116.025 115.700 -0.000 0.000 2.374 481 S HA -0.193 4.283 4.470 0.010 0.000 0.227 481 S C 1.538 176.142 174.600 0.006 0.000 1.037 481 S CA 1.413 59.615 58.200 0.003 0.000 1.024 481 S CB -0.288 62.910 63.200 -0.004 0.000 0.861 481 S HN 0.526 nan 8.310 nan 0.000 0.456 482 L N 2.010 123.218 121.223 -0.026 0.000 2.042 482 L HA -0.019 4.327 4.340 0.010 0.000 0.210 482 L C 2.231 179.165 176.870 0.108 0.000 1.076 482 L CA 2.085 56.901 54.840 -0.041 0.000 0.749 482 L CB -1.306 40.621 42.059 -0.220 0.000 0.893 482 L HN 0.294 nan 8.230 nan 0.000 0.432 483 G N -0.390 108.506 108.800 0.160 0.000 2.404 483 G HA2 -0.217 3.750 3.960 0.010 0.000 0.215 483 G HA3 -0.217 3.750 3.960 0.010 0.000 0.215 483 G C 1.637 176.611 174.900 0.123 0.000 1.174 483 G CA 1.048 46.309 45.100 0.269 0.000 0.780 483 G HN 0.460 nan 8.290 nan 0.000 0.537 484 I N 0.007 120.612 120.570 0.059 0.000 2.226 484 I HA -0.144 4.032 4.170 0.010 0.000 0.245 484 I C 2.907 179.030 176.117 0.011 0.000 1.100 484 I CA 1.068 62.371 61.300 0.006 0.000 1.374 484 I CB -0.158 37.839 38.000 -0.005 0.000 1.057 484 I HN 0.055 nan 8.210 nan 0.000 0.413 485 R N 0.729 121.255 120.500 0.044 0.000 2.081 485 R HA -0.125 4.221 4.340 0.010 0.000 0.235 485 R C 2.308 178.661 176.300 0.089 0.000 1.131 485 R CA 1.944 58.081 56.100 0.062 0.000 0.960 485 R CB -0.884 29.448 30.300 0.053 0.000 0.856 485 R HN 0.230 nan 8.270 nan 0.000 0.436 486 T N 0.161 114.784 114.554 0.116 0.000 2.746 486 T HA -0.120 4.236 4.350 0.010 0.000 0.267 486 T C 1.742 176.478 174.700 0.060 0.000 1.039 486 T CA 1.440 63.614 62.100 0.124 0.000 1.142 486 T CB -0.454 68.540 68.868 0.209 0.000 0.866 486 T HN 0.415 nan 8.240 nan 0.000 0.444 487 A N 1.845 124.671 122.820 0.010 0.000 1.883 487 A HA -0.165 4.161 4.320 0.010 0.000 0.217 487 A C 2.236 179.802 177.584 -0.031 0.000 1.186 487 A CA 1.714 53.719 52.037 -0.053 0.000 0.624 487 A CB -0.440 18.500 19.000 -0.099 0.000 0.822 487 A HN 0.478 nan 8.150 nan 0.000 0.444 488 K N -0.518 119.845 120.400 -0.063 0.000 2.217 488 K HA 0.088 4.415 4.320 0.010 0.000 0.202 488 K C 1.681 178.421 176.600 0.234 0.000 1.051 488 K CA 0.943 57.144 56.287 -0.142 0.000 0.952 488 K CB -0.275 32.065 32.500 -0.267 0.000 0.736 488 K HN 0.449 nan 8.250 nan 0.000 0.453 489 L N -0.676 120.727 121.223 0.300 0.000 2.291 489 L HA -0.105 4.241 4.340 0.010 0.000 0.214 489 L C 0.644 177.940 176.870 0.711 0.000 1.120 489 L CA 0.597 55.740 54.840 0.504 0.000 0.799 489 L CB -0.183 42.092 42.059 0.360 0.000 0.925 489 L HN 0.256 nan 8.230 nan 0.000 0.446 490 Y N -0.460 120.020 120.300 0.300 0.000 4.936 490 Y HA -0.271 4.284 4.550 0.010 0.000 0.260 490 Y C 0.728 176.839 175.900 0.351 0.000 0.928 490 Y CA -0.008 58.221 58.100 0.215 0.000 1.869 490 Y CB -1.600 36.859 38.460 -0.001 0.000 1.344 490 Y HN 0.195 nan 8.280 nan 0.000 0.521 491 I N -0.924 119.845 120.570 0.331 0.000 2.720 491 I HA 0.227 4.403 4.170 0.010 0.000 0.287 491 I C 0.885 176.978 176.117 -0.039 0.000 1.090 491 I CA -0.249 61.130 61.300 0.131 0.000 1.384 491 I CB 0.558 38.503 38.000 -0.093 0.000 1.420 491 I HN 0.155 nan 8.210 nan 0.000 0.575 492 D N 5.198 125.562 120.400 -0.060 0.000 2.424 492 D HA 0.109 4.755 4.640 0.010 0.000 0.244 492 D C -1.741 174.512 176.300 -0.078 0.000 1.134 492 D CA -1.370 52.578 54.000 -0.086 0.000 0.881 492 D CB 1.769 42.546 40.800 -0.039 0.000 1.191 492 D HN 0.361 nan 8.370 nan 0.000 0.445 493 P HA -0.162 nan 4.420 nan 0.000 0.218 493 P C 0.957 178.338 177.300 0.135 0.000 1.146 493 P CA 0.945 63.940 63.100 -0.175 0.000 0.813 493 P CB -0.033 31.412 31.700 -0.425 0.000 0.778 494 Y N 0.379 120.683 120.300 0.006 0.000 2.200 494 Y HA -0.203 4.355 4.550 0.013 0.000 0.290 494 Y C 2.508 178.406 175.900 -0.003 0.000 1.137 494 Y CA 2.188 60.338 58.100 0.084 0.000 1.163 494 Y CB -1.066 37.367 38.460 -0.044 0.000 0.988 494 Y HN 0.005 nan 8.280 nan 0.000 0.518 495 T N -1.191 113.298 114.554 -0.108 0.000 2.867 495 T HA -0.123 4.233 4.350 0.010 0.000 0.268 495 T C 2.035 176.334 174.700 -0.669 0.000 1.057 495 T CA 1.262 63.099 62.100 -0.437 0.000 1.136 495 T CB -0.701 67.870 68.868 -0.494 0.000 0.874 495 T HN 0.353 nan 8.240 nan 0.000 0.466 496 A N 1.858 124.486 122.820 -0.321 0.000 1.898 496 A HA -0.003 4.323 4.320 0.010 0.000 0.216 496 A C 2.390 179.985 177.584 0.017 0.000 1.181 496 A CA 1.976 53.946 52.037 -0.113 0.000 0.620 496 A CB -0.827 18.302 19.000 0.215 0.000 0.819 496 A HN 0.670 nan 8.150 nan 0.000 0.442 497 K N -0.691 119.781 120.400 0.120 0.000 2.032 497 K HA -0.169 4.157 4.320 0.010 0.000 0.209 497 K C 2.082 178.663 176.600 -0.033 0.000 1.048 497 K CA 1.933 58.262 56.287 0.069 0.000 0.927 497 K CB -0.306 32.285 32.500 0.152 0.000 0.712 497 K HN 0.478 nan 8.250 nan 0.000 0.441 498 M N -0.145 119.381 119.600 -0.125 0.000 2.080 498 M HA -0.167 4.319 4.480 0.010 0.000 0.260 498 M C 2.095 178.524 176.300 0.215 0.000 1.068 498 M CA 1.868 57.187 55.300 0.032 0.000 1.109 498 M CB -0.418 32.176 32.600 -0.009 0.000 1.342 498 M HN 0.199 nan 8.290 nan 0.000 0.405 499 F N 0.185 120.122 119.950 -0.022 0.000 2.134 499 F HA -0.279 4.255 4.527 0.010 0.000 0.299 499 F C 2.680 178.419 175.800 -0.102 0.000 1.097 499 F CA 0.915 58.881 58.000 -0.056 0.000 1.264 499 F CB -0.388 38.576 39.000 -0.059 0.000 1.001 499 F HN 0.190 nan 8.300 nan 0.000 0.479 500 K N 0.790 121.247 120.400 0.095 0.000 2.002 500 K HA -0.200 4.126 4.320 0.010 0.000 0.209 500 K C 1.438 178.000 176.600 -0.063 0.000 1.048 500 K CA 2.055 58.321 56.287 -0.035 0.000 0.930 500 K CB -0.182 32.252 32.500 -0.110 0.000 0.714 500 K HN 0.041 nan 8.250 nan 0.000 0.438 501 D N 0.590 120.963 120.400 -0.044 0.000 2.178 501 D HA -0.117 4.529 4.640 0.010 0.000 0.201 501 D C 1.266 177.502 176.300 -0.107 0.000 0.980 501 D CA 1.028 54.991 54.000 -0.061 0.000 0.842 501 D CB 0.127 40.915 40.800 -0.021 0.000 0.948 501 D HN 0.138 nan 8.370 nan 0.000 0.472 502 K N -0.224 120.102 120.400 -0.123 0.000 2.358 502 K HA 0.174 4.500 4.320 0.010 0.000 0.197 502 K C 1.499 177.931 176.600 -0.279 0.000 1.025 502 K CA -0.231 55.917 56.287 -0.231 0.000 1.104 502 K CB 0.284 32.614 32.500 -0.284 0.000 0.855 502 K HN 0.091 nan 8.250 nan 0.000 0.531 503 M N 2.199 121.676 119.600 -0.204 0.000 2.108 503 M HA -0.207 4.279 4.480 0.010 0.000 0.261 503 M C 2.116 178.276 176.300 -0.233 0.000 1.066 503 M CA 2.418 57.583 55.300 -0.226 0.000 1.107 503 M CB -0.476 32.025 32.600 -0.165 0.000 1.356 503 M HN 0.276 nan 8.290 nan 0.000 0.406 504 E N -0.332 119.757 120.200 -0.186 0.000 2.118 504 E HA -0.247 4.109 4.350 0.010 0.000 0.195 504 E C 1.894 178.387 176.600 -0.178 0.000 0.992 504 E CA 1.891 58.198 56.400 -0.154 0.000 0.804 504 E CB -1.027 28.605 29.700 -0.114 0.000 0.741 504 E HN 0.801 nan 8.360 nan 0.000 0.458 505 E N -0.477 119.580 120.200 -0.238 0.000 2.028 505 E HA -0.065 4.291 4.350 0.010 0.000 0.190 505 E C 2.271 178.630 176.600 -0.401 0.000 0.984 505 E CA 1.175 57.427 56.400 -0.246 0.000 0.800 505 E CB -0.063 29.503 29.700 -0.224 0.000 0.758 505 E HN 0.355 nan 8.360 nan 0.000 0.448 506 V N 0.437 119.906 119.914 -0.741 0.000 2.282 506 V HA -0.298 3.828 4.120 0.010 0.000 0.249 506 V C 2.278 178.199 176.094 -0.288 0.000 1.057 506 V CA 1.637 63.517 62.300 -0.699 0.000 1.032 506 V CB -0.597 30.873 31.823 -0.589 0.000 0.645 506 V HN 0.178 nan 8.190 nan 0.000 0.447 507 V N -0.169 119.603 119.914 -0.237 0.000 2.392 507 V HA -0.303 3.824 4.120 0.010 0.000 0.249 507 V C 2.418 178.441 176.094 -0.120 0.000 1.059 507 V CA 2.224 64.430 62.300 -0.156 0.000 1.051 507 V CB -0.769 30.975 31.823 -0.132 0.000 0.658 507 V HN 0.598 nan 8.190 nan 0.000 0.455 508 K N -0.296 120.042 120.400 -0.102 0.000 2.062 508 K HA -0.075 4.251 4.320 0.010 0.000 0.205 508 K C 0.750 177.326 176.600 -0.040 0.000 1.051 508 K CA 1.319 57.571 56.287 -0.059 0.000 0.941 508 K CB 0.015 32.492 32.500 -0.038 0.000 0.719 508 K HN 0.342 nan 8.250 nan 0.000 0.440 509 D N 0.261 120.660 120.400 -0.001 0.000 2.552 509 D HA 0.181 4.827 4.640 0.010 0.000 0.285 509 D C -2.855 173.484 176.300 0.065 0.000 1.206 509 D CA -2.425 51.597 54.000 0.037 0.000 0.826 509 D CB 0.860 41.720 40.800 0.101 0.000 1.179 509 D HN -0.192 nan 8.370 nan 0.000 0.508 510 P HA 0.182 nan 4.420 nan 0.000 0.264 510 P C -0.968 176.203 177.300 -0.215 0.000 1.236 510 P CA 0.031 62.991 63.100 -0.232 0.000 0.811 510 P CB -0.029 31.283 31.700 -0.647 0.000 0.840 511 N N 2.162 120.898 118.700 0.060 0.000 2.396 511 N HA 0.420 5.166 4.740 0.010 0.000 0.275 511 N C -2.687 172.815 175.510 -0.013 0.000 1.218 511 N CA -2.054 51.031 53.050 0.059 0.000 0.812 511 N CB 1.188 39.680 38.487 0.009 0.000 1.592 511 N HN -0.148 nan 8.380 nan 0.000 0.480 512 P HA -0.164 nan 4.420 nan 0.000 0.210 512 P C 1.261 178.224 177.300 -0.563 0.000 1.185 512 P CA 1.093 63.858 63.100 -0.558 0.000 0.924 512 P CB 0.086 31.559 31.700 -0.378 0.000 0.786 513 I N -0.714 119.701 120.570 -0.258 0.000 2.145 513 I HA -0.218 3.958 4.170 0.010 0.000 0.244 513 I C 2.420 178.481 176.117 -0.094 0.000 1.075 513 I CA 2.465 63.675 61.300 -0.151 0.000 1.332 513 I CB -2.229 35.668 38.000 -0.171 0.000 1.033 513 I HN 0.075 nan 8.210 nan 0.000 0.410 514 G N 0.929 109.607 108.800 -0.205 0.000 2.418 514 G HA2 -0.178 3.788 3.960 0.010 0.000 0.217 514 G HA3 -0.178 3.788 3.960 0.010 0.000 0.217 514 G C 1.834 176.672 174.900 -0.103 0.000 1.158 514 G CA 0.551 45.390 45.100 -0.436 0.000 0.771 514 G HN 0.359 nan 8.290 nan 0.000 0.545 515 I N -0.275 120.324 120.570 0.049 0.000 2.202 515 I HA -0.082 4.094 4.170 0.010 0.000 0.242 515 I C 2.536 178.785 176.117 0.219 0.000 1.091 515 I CA 0.903 62.312 61.300 0.182 0.000 1.368 515 I CB -0.320 37.694 38.000 0.023 0.000 1.058 515 I HN 0.148 nan 8.210 nan 0.000 0.410 516 F N -0.168 119.827 119.950 0.075 0.000 2.171 516 F HA -0.278 4.256 4.527 0.010 0.000 0.300 516 F C 2.736 178.562 175.800 0.044 0.000 1.090 516 F CA 1.059 59.080 58.000 0.035 0.000 1.293 516 F CB -0.496 38.498 39.000 -0.010 0.000 1.013 516 F HN 0.269 nan 8.300 nan 0.000 0.486 517 H N 0.748 119.909 119.070 0.152 0.000 2.326 517 H HA -0.167 4.395 4.556 0.010 0.000 0.301 517 H C 2.289 177.680 175.328 0.105 0.000 1.081 517 H CA 1.492 57.573 56.048 0.055 0.000 1.334 517 H CB -0.351 29.418 29.762 0.013 0.000 1.385 517 H HN 0.276 nan 8.280 nan 0.000 0.504 518 L N 2.346 123.685 121.223 0.193 0.000 1.990 518 L HA -0.201 4.145 4.340 0.010 0.000 0.213 518 L C 2.676 179.673 176.870 0.211 0.000 1.072 518 L CA 2.153 57.165 54.840 0.287 0.000 0.755 518 L CB -1.084 41.251 42.059 0.460 0.000 0.889 518 L HN 0.526 nan 8.230 nan 0.000 0.432 519 I N -3.513 117.191 120.570 0.223 0.000 2.493 519 I HA -0.141 4.035 4.170 0.010 0.000 0.254 519 I C 1.958 178.121 176.117 0.077 0.000 1.160 519 I CA 1.523 62.962 61.300 0.231 0.000 1.445 519 I CB -0.756 37.369 38.000 0.208 0.000 1.086 519 I HN 0.157 nan 8.210 nan 0.000 0.433 520 S N 1.088 116.788 115.700 0.000 0.000 2.561 520 S HA 0.119 4.595 4.470 0.010 0.000 0.225 520 S C 1.551 176.069 174.600 -0.137 0.000 0.977 520 S CA 0.483 58.641 58.200 -0.071 0.000 0.926 520 S CB -0.137 63.019 63.200 -0.073 0.000 0.769 520 S HN 0.323 nan 8.310 nan 0.000 0.533 521 L N 1.788 122.903 121.223 -0.181 0.000 2.585 521 L HA 0.201 4.548 4.340 0.010 0.000 0.226 521 L C 1.346 178.145 176.870 -0.118 0.000 1.113 521 L CA 0.554 55.252 54.840 -0.236 0.000 0.876 521 L CB -0.735 41.070 42.059 -0.423 0.000 1.072 521 L HN 0.287 nan 8.230 nan 0.000 0.468 522 T N -3.943 110.580 114.554 -0.052 0.000 2.849 522 T HA 0.233 4.589 4.350 0.010 0.000 0.284 522 T C -1.640 173.066 174.700 0.011 0.000 1.004 522 T CA -1.389 60.699 62.100 -0.020 0.000 1.021 522 T CB 1.018 69.840 68.868 -0.077 0.000 1.013 522 T HN -0.108 nan 8.240 nan 0.000 0.527 523 P HA 0.104 nan 4.420 nan 0.000 0.233 523 P C 0.553 177.883 177.300 0.050 0.000 1.167 523 P CA 0.474 63.597 63.100 0.040 0.000 0.770 523 P CB 0.091 31.813 31.700 0.038 0.000 0.837 524 D N -0.724 119.705 120.400 0.048 0.000 2.319 524 D HA 0.156 4.802 4.640 0.010 0.000 0.230 524 D C 0.580 176.991 176.300 0.185 0.000 1.094 524 D CA 0.368 54.453 54.000 0.143 0.000 0.856 524 D CB 0.478 41.319 40.800 0.069 0.000 0.915 524 D HN 0.255 nan 8.370 nan 0.000 0.517 525 I N -0.929 119.693 120.570 0.086 0.000 3.006 525 I HA 0.156 4.332 4.170 0.010 0.000 0.306 525 I C -1.190 174.927 176.117 0.000 0.000 1.250 525 I CA -0.444 60.889 61.300 0.056 0.000 0.996 525 I CB 2.585 40.594 38.000 0.015 0.000 1.261 525 I HN -0.395 nan 8.210 nan 0.000 0.442 526 T N 6.180 120.709 114.554 -0.042 0.000 2.963 526 T HA 0.441 4.797 4.350 0.010 0.000 0.343 526 T C -2.486 172.126 174.700 -0.148 0.000 1.146 526 T CA -0.939 61.122 62.100 -0.066 0.000 1.016 526 T CB 0.973 69.811 68.868 -0.051 0.000 1.046 526 T HN 0.308 nan 8.240 nan 0.000 0.496 527 P HA 0.213 nan 4.420 nan 0.000 0.271 527 P C -0.126 177.091 177.300 -0.138 0.000 1.244 527 P CA -0.520 62.490 63.100 -0.150 0.000 0.793 527 P CB 0.420 32.103 31.700 -0.029 0.000 0.984 528 F N -0.265 119.686 119.950 0.001 0.000 2.490 528 F HA 0.134 4.665 4.527 0.008 0.000 0.336 528 F C 1.528 177.369 175.800 0.070 0.000 1.178 528 F CA 0.507 58.522 58.000 0.025 0.000 1.301 528 F CB 0.058 39.074 39.000 0.027 0.000 1.175 528 F HN 0.276 nan 8.300 nan 0.000 0.593 529 N N -0.821 118.042 118.700 0.271 0.000 2.502 529 N HA 0.511 5.257 4.740 0.010 0.000 0.280 529 N C -1.730 173.927 175.510 0.245 0.000 1.223 529 N CA -0.543 52.594 53.050 0.144 0.000 0.966 529 N CB 1.140 39.652 38.487 0.041 0.000 1.203 529 N HN 0.469 nan 8.380 nan 0.000 0.565 530 Y N -1.995 118.383 120.300 0.131 0.000 2.513 530 Y HA 0.530 5.097 4.550 0.028 0.000 0.340 530 Y C -0.658 175.304 175.900 0.105 0.000 1.055 530 Y CA -1.401 56.777 58.100 0.130 0.000 1.020 530 Y CB 0.380 38.946 38.460 0.177 0.000 1.301 530 Y HN 0.445 nan 8.280 nan 0.000 0.453 531 S N 2.044 117.902 115.700 0.263 0.000 2.669 531 S HA 0.268 4.745 4.470 0.010 0.000 0.270 531 S C 0.963 175.727 174.600 0.274 0.000 1.225 531 S CA -0.302 57.996 58.200 0.164 0.000 0.991 531 S CB 1.695 64.965 63.200 0.117 0.000 0.987 531 S HN 0.991 nan 8.310 nan 0.000 0.552 532 K N 1.001 121.502 120.400 0.169 0.000 2.103 532 K HA -0.172 4.154 4.320 0.010 0.000 0.207 532 K C 2.360 179.084 176.600 0.207 0.000 1.048 532 K CA 1.546 57.944 56.287 0.185 0.000 0.930 532 K CB -0.284 32.269 32.500 0.089 0.000 0.716 532 K HN 0.803 nan 8.250 nan 0.000 0.444 533 R N 0.107 120.699 120.500 0.154 0.000 2.189 533 R HA -0.104 4.242 4.340 0.010 0.000 0.223 533 R C 1.232 177.611 176.300 0.132 0.000 1.092 533 R CA 1.568 57.742 56.100 0.124 0.000 0.989 533 R CB -0.186 30.165 30.300 0.085 0.000 0.876 533 R HN 0.307 nan 8.270 nan 0.000 0.457 534 E N 0.252 120.558 120.200 0.178 0.000 2.230 534 E HA -0.084 4.272 4.350 0.010 0.000 0.192 534 E C 1.365 178.005 176.600 0.066 0.000 0.987 534 E CA 0.445 56.923 56.400 0.130 0.000 0.841 534 E CB -0.141 29.666 29.700 0.177 0.000 0.783 534 E HN 0.260 nan 8.360 nan 0.000 0.481 535 F N 2.554 122.489 119.950 -0.025 0.000 2.120 535 F HA -0.257 4.282 4.527 0.019 0.000 0.300 535 F C 2.210 177.933 175.800 -0.128 0.000 1.095 535 F CA 1.860 59.753 58.000 -0.178 0.000 1.249 535 F CB 0.019 38.961 39.000 -0.096 0.000 0.995 535 F HN -0.048 nan 8.300 nan 0.000 0.480 536 E N -0.374 119.786 120.200 -0.067 0.000 2.077 536 E HA -0.292 4.065 4.350 0.010 0.000 0.193 536 E C 2.333 178.854 176.600 -0.132 0.000 0.989 536 E CA 1.193 57.529 56.400 -0.107 0.000 0.800 536 E CB -0.143 29.576 29.700 0.031 0.000 0.746 536 E HN 0.193 nan 8.360 nan 0.000 0.452 537 R N 0.374 120.830 120.500 -0.072 0.000 2.090 537 R HA 0.002 4.348 4.340 0.010 0.000 0.228 537 R C 2.241 178.539 176.300 -0.002 0.000 1.110 537 R CA 0.967 57.057 56.100 -0.016 0.000 0.973 537 R CB -0.434 29.869 30.300 0.005 0.000 0.869 537 R HN 0.236 nan 8.270 nan 0.000 0.440 538 L N 0.165 121.336 121.223 -0.087 0.000 2.046 538 L HA -0.142 4.204 4.340 0.010 0.000 0.208 538 L C 2.472 179.346 176.870 0.007 0.000 1.077 538 L CA 1.826 56.679 54.840 0.021 0.000 0.747 538 L CB -0.479 41.504 42.059 -0.126 0.000 0.896 538 L HN 0.399 nan 8.230 nan 0.000 0.432 539 E N 0.256 120.217 120.200 -0.399 0.000 2.051 539 E HA -0.253 4.104 4.350 0.010 0.000 0.192 539 E C 1.985 178.636 176.600 0.085 0.000 0.991 539 E CA 1.398 57.621 56.400 -0.295 0.000 0.799 539 E CB 0.087 29.437 29.700 -0.583 0.000 0.748 539 E HN 0.478 nan 8.360 nan 0.000 0.449 540 E N 0.369 120.632 120.200 0.104 0.000 2.049 540 E HA -0.236 4.120 4.350 0.010 0.000 0.198 540 E C 2.092 178.833 176.600 0.236 0.000 1.007 540 E CA 1.559 58.078 56.400 0.199 0.000 0.809 540 E CB -0.097 29.674 29.700 0.119 0.000 0.749 540 E HN 0.359 nan 8.360 nan 0.000 0.450 541 E N -0.060 120.311 120.200 0.285 0.000 2.153 541 E HA -0.214 4.142 4.350 0.010 0.000 0.194 541 E C 1.927 178.841 176.600 0.524 0.000 0.988 541 E CA 0.867 57.551 56.400 0.473 0.000 0.811 541 E CB -0.213 29.819 29.700 0.553 0.000 0.746 541 E HN 0.323 nan 8.360 nan 0.000 0.466 542 Y N 0.651 120.957 120.300 0.010 0.000 2.128 542 Y HA -0.310 4.249 4.550 0.015 0.000 0.284 542 Y C 1.700 177.414 175.900 -0.309 0.000 1.154 542 Y CA 1.603 59.310 58.100 -0.655 0.000 1.149 542 Y CB -0.726 37.253 38.460 -0.802 0.000 0.976 542 Y HN 0.044 nan 8.280 nan 0.000 0.505 543 Y N 0.596 120.703 120.300 -0.322 0.000 2.224 543 Y HA -0.205 4.352 4.550 0.011 0.000 0.289 543 Y C 2.735 178.488 175.900 -0.245 0.000 1.146 543 Y CA 1.594 59.454 58.100 -0.401 0.000 1.182 543 Y CB -0.387 37.963 38.460 -0.184 0.000 0.983 543 Y HN 0.295 nan 8.280 nan 0.000 0.524 544 E N 0.023 120.234 120.200 0.019 0.000 2.077 544 E HA -0.201 4.155 4.350 0.010 0.000 0.193 544 E C 0.756 177.155 176.600 -0.335 0.000 0.989 544 E CA 1.366 57.677 56.400 -0.148 0.000 0.800 544 E CB -0.194 29.426 29.700 -0.133 0.000 0.746 544 E HN 0.470 nan 8.360 nan 0.000 0.452 545 F N 0.088 120.048 119.950 0.018 0.000 2.639 545 F HA 0.284 4.817 4.527 0.010 0.000 0.302 545 F C 1.716 177.477 175.800 -0.065 0.000 1.097 545 F CA -0.310 57.709 58.000 0.033 0.000 1.294 545 F CB 0.328 39.437 39.000 0.180 0.000 1.027 545 F HN -0.099 nan 8.300 nan 0.000 0.550 546 K N 1.281 121.615 120.400 -0.110 0.000 2.089 546 K HA -0.253 4.073 4.320 0.010 0.000 0.210 546 K C 1.417 177.972 176.600 -0.075 0.000 1.048 546 K CA 2.340 58.486 56.287 -0.234 0.000 0.926 546 K CB -0.204 32.025 32.500 -0.452 0.000 0.714 546 K HN 0.311 nan 8.250 nan 0.000 0.448 547 D N -0.290 120.078 120.400 -0.054 0.000 2.378 547 D HA -0.146 4.500 4.640 0.010 0.000 0.222 547 D C 1.036 177.329 176.300 -0.011 0.000 0.980 547 D CA 0.675 54.660 54.000 -0.025 0.000 0.907 547 D CB -0.040 40.743 40.800 -0.029 0.000 0.899 547 D HN 0.133 nan 8.370 nan 0.000 0.527 548 R N -0.118 120.380 120.500 -0.002 0.000 2.362 548 R HA 0.330 4.676 4.340 0.010 0.000 0.227 548 R C 0.531 176.691 176.300 -0.234 0.000 0.905 548 R CA -0.244 55.830 56.100 -0.045 0.000 1.067 548 R CB 0.061 30.396 30.300 0.057 0.000 1.078 548 R HN 0.285 nan 8.270 nan 0.000 0.516 549 L N 0.078 121.195 121.223 -0.177 0.000 2.421 549 L HA 0.282 4.628 4.340 0.010 0.000 0.263 549 L C 0.934 177.684 176.870 -0.199 0.000 1.122 549 L CA -0.502 54.179 54.840 -0.264 0.000 0.804 549 L CB 0.626 42.630 42.059 -0.092 0.000 1.150 549 L HN 0.026 nan 8.230 nan 0.000 0.457 550 Y N -0.507 119.870 120.300 0.130 0.000 2.507 550 Y HA 0.208 4.763 4.550 0.010 0.000 0.263 550 Y C 0.425 176.264 175.900 -0.101 0.000 1.093 550 Y CA -0.312 57.776 58.100 -0.020 0.000 1.285 550 Y CB 0.483 38.890 38.460 -0.088 0.000 1.115 550 Y HN 0.270 nan 8.280 nan 0.000 0.533 551 F N 1.811 121.978 119.950 0.362 0.000 2.359 551 F HA 0.176 4.713 4.527 0.016 0.000 0.369 551 F C 0.139 176.218 175.800 0.464 0.000 1.084 551 F CA -1.130 57.101 58.000 0.386 0.000 1.096 551 F CB 0.807 40.066 39.000 0.432 0.000 1.335 551 F HN 0.070 nan 8.300 nan 0.000 0.457 552 D N -0.400 120.264 120.400 0.441 0.000 2.338 552 D HA -0.062 4.584 4.640 0.010 0.000 0.224 552 D C 0.465 176.841 176.300 0.128 0.000 0.967 552 D CA 0.316 54.520 54.000 0.341 0.000 0.896 552 D CB -0.358 40.556 40.800 0.190 0.000 1.028 552 D HN 0.210 nan 8.370 nan 0.000 0.493 553 D N 0.970 121.414 120.400 0.074 0.000 2.346 553 D HA 0.106 4.752 4.640 0.010 0.000 0.260 553 D C -1.683 174.333 176.300 -0.472 0.000 1.252 553 D CA -1.841 52.108 54.000 -0.086 0.000 0.895 553 D CB 1.545 42.384 40.800 0.066 0.000 1.097 553 D HN -0.074 nan 8.370 nan 0.000 0.489 554 P HA -0.050 nan 4.420 nan 0.000 0.230 554 P C -0.572 176.120 177.300 -1.013 0.000 1.158 554 P CA 0.900 63.094 63.100 -1.510 0.000 0.769 554 P CB 0.033 30.727 31.700 -1.676 0.000 0.807 555 Y N -1.901 118.335 120.300 -0.107 0.000 2.480 555 Y HA 0.320 4.874 4.550 0.006 0.000 0.356 555 Y C 1.061 176.930 175.900 -0.051 0.000 0.922 555 Y CA -0.707 57.377 58.100 -0.027 0.000 1.146 555 Y CB -0.282 38.217 38.460 0.066 0.000 1.185 555 Y HN -0.196 nan 8.280 nan 0.000 0.624 556 I N -0.024 120.585 120.570 0.066 0.000 3.578 556 I HA 0.026 4.202 4.170 0.010 0.000 0.295 556 I C 0.945 177.091 176.117 0.049 0.000 1.280 556 I CA 1.016 62.359 61.300 0.073 0.000 1.347 556 I CB 0.121 38.188 38.000 0.112 0.000 1.051 556 I HN 0.207 nan 8.210 nan 0.000 0.460 557 S N 0.262 115.986 115.700 0.040 0.000 2.730 557 S HA 0.733 5.209 4.470 0.010 0.000 0.244 557 S C 0.445 175.046 174.600 0.001 0.000 1.022 557 S CA 0.008 58.227 58.200 0.032 0.000 1.014 557 S CB 0.292 63.529 63.200 0.061 0.000 0.963 557 S HN 0.617 nan 8.310 nan 0.000 0.540 558 G N 0.716 109.478 108.800 -0.063 0.000 2.392 558 G HA2 -0.044 3.922 3.960 0.010 0.000 0.677 558 G HA3 -0.044 3.922 3.960 0.010 0.000 0.677 558 G C -0.572 174.319 174.900 -0.015 0.000 1.334 558 G CA -1.002 44.005 45.100 -0.155 0.000 0.961 558 G HN 0.220 nan 8.290 nan 0.000 0.616 559 Y N 0.177 120.575 120.300 0.164 0.000 2.466 559 Y HA 0.211 4.764 4.550 0.005 0.000 0.272 559 Y C 1.097 177.108 175.900 0.185 0.000 1.169 559 Y CA -0.139 58.073 58.100 0.187 0.000 1.285 559 Y CB 0.208 38.683 38.460 0.024 0.000 1.078 559 Y HN 0.486 nan 8.280 nan 0.000 0.523 560 D N 3.556 124.122 120.400 0.276 0.000 2.662 560 D HA -0.108 4.538 4.640 0.010 0.000 0.233 560 D C -1.383 175.065 176.300 0.246 0.000 1.129 560 D CA -0.422 53.713 54.000 0.224 0.000 0.851 560 D CB 0.439 41.358 40.800 0.197 0.000 1.152 560 D HN 0.176 nan 8.370 nan 0.000 0.507 561 P HA -0.255 nan 4.420 nan 0.000 0.221 561 P C 0.993 178.394 177.300 0.167 0.000 1.141 561 P CA 1.132 64.325 63.100 0.155 0.000 0.794 561 P CB 0.086 31.841 31.700 0.092 0.000 0.764 562 Y N 0.910 121.257 120.300 0.079 0.000 2.184 562 Y HA -0.102 4.444 4.550 -0.006 0.000 0.290 562 Y C 2.333 178.288 175.900 0.091 0.000 1.129 562 Y CA 1.215 59.353 58.100 0.063 0.000 1.144 562 Y CB -0.665 37.819 38.460 0.040 0.000 0.995 562 Y HN -0.271 nan 8.280 nan 0.000 0.513 563 L N 0.619 121.936 121.223 0.156 0.000 2.156 563 L HA -0.147 4.199 4.340 0.010 0.000 0.208 563 L C 2.346 179.256 176.870 0.067 0.000 1.095 563 L CA 1.963 56.852 54.840 0.082 0.000 0.770 563 L CB -1.392 40.759 42.059 0.153 0.000 0.914 563 L HN 0.422 nan 8.230 nan 0.000 0.439 564 E N 0.531 120.815 120.200 0.140 0.000 2.106 564 E HA -0.238 4.119 4.350 0.010 0.000 0.192 564 E C 2.365 179.190 176.600 0.375 0.000 0.984 564 E CA 0.808 57.318 56.400 0.184 0.000 0.806 564 E CB 0.113 30.000 29.700 0.312 0.000 0.750 564 E HN 0.288 nan 8.360 nan 0.000 0.458 565 R N 0.989 121.633 120.500 0.240 0.000 2.073 565 R HA -0.176 4.170 4.340 0.010 0.000 0.234 565 R C 2.474 178.909 176.300 0.225 0.000 1.134 565 R CA 1.876 58.139 56.100 0.272 0.000 0.952 565 R CB -0.170 30.126 30.300 -0.006 0.000 0.850 565 R HN 0.016 nan 8.270 nan 0.000 0.433 566 K N -0.351 120.037 120.400 -0.021 0.000 2.044 566 K HA -0.226 4.100 4.320 0.010 0.000 0.210 566 K C 1.933 178.562 176.600 0.049 0.000 1.049 566 K CA 1.929 58.173 56.287 -0.072 0.000 0.927 566 K CB -0.362 32.020 32.500 -0.197 0.000 0.713 566 K HN 0.189 nan 8.250 nan 0.000 0.443 567 F N 0.300 120.211 119.950 -0.064 0.000 2.102 567 F HA -0.143 4.387 4.527 0.005 0.000 0.298 567 F C 1.599 177.324 175.800 -0.125 0.000 1.105 567 F CA 1.563 59.472 58.000 -0.153 0.000 1.239 567 F CB -0.215 38.569 39.000 -0.359 0.000 0.991 567 F HN -0.012 nan 8.300 nan 0.000 0.474 568 F N 0.226 120.377 119.950 0.335 0.000 2.325 568 F HA -0.046 4.484 4.527 0.005 0.000 0.299 568 F C 2.438 178.410 175.800 0.286 0.000 1.090 568 F CA 0.884 59.045 58.000 0.270 0.000 1.392 568 F CB -0.465 38.664 39.000 0.216 0.000 1.053 568 F HN -0.189 nan 8.300 nan 0.000 0.521 569 R N 0.074 120.862 120.500 0.481 0.000 2.066 569 R HA -0.108 4.238 4.340 0.010 0.000 0.232 569 R C 2.441 178.860 176.300 0.199 0.000 1.131 569 R CA 1.261 57.595 56.100 0.389 0.000 0.955 569 R CB -0.880 29.562 30.300 0.237 0.000 0.851 569 R HN 0.289 nan 8.270 nan 0.000 0.432 570 A N 0.620 123.472 122.820 0.053 0.000 1.933 570 A HA -0.184 4.142 4.320 0.010 0.000 0.218 570 A C 1.926 179.560 177.584 0.082 0.000 1.175 570 A CA 1.022 53.027 52.037 -0.053 0.000 0.628 570 A CB -0.563 18.235 19.000 -0.336 0.000 0.814 570 A HN 0.323 nan 8.150 nan 0.000 0.444 571 F N 0.807 120.746 119.950 -0.019 0.000 2.113 571 F HA -0.111 4.421 4.527 0.007 0.000 0.297 571 F C 2.201 178.027 175.800 0.044 0.000 1.103 571 F CA 2.094 60.096 58.000 0.004 0.000 1.248 571 F CB -0.248 38.641 39.000 -0.185 0.000 0.999 571 F HN 0.234 nan 8.300 nan 0.000 0.475 572 K N -0.541 119.889 120.400 0.050 0.000 2.103 572 K HA -0.173 4.153 4.320 0.010 0.000 0.207 572 K C 1.870 178.424 176.600 -0.076 0.000 1.048 572 K CA 1.974 58.243 56.287 -0.029 0.000 0.930 572 K CB -0.400 32.190 32.500 0.151 0.000 0.716 572 K HN 0.275 nan 8.250 nan 0.000 0.444 573 T N 0.658 115.257 114.554 0.074 0.000 2.746 573 T HA -0.098 4.258 4.350 0.010 0.000 0.267 573 T C 1.850 176.529 174.700 -0.035 0.000 1.039 573 T CA 1.270 63.468 62.100 0.163 0.000 1.142 573 T CB -0.265 68.692 68.868 0.149 0.000 0.866 573 T HN 0.440 nan 8.240 nan 0.000 0.444 574 A N 1.128 123.902 122.820 -0.077 0.000 1.972 574 A HA 0.033 4.359 4.320 0.010 0.000 0.219 574 A C 2.272 179.765 177.584 -0.153 0.000 1.169 574 A CA 1.092 53.115 52.037 -0.023 0.000 0.635 574 A CB -0.728 18.264 19.000 -0.012 0.000 0.810 574 A HN 0.480 nan 8.150 nan 0.000 0.446 575 L N -0.767 120.226 121.223 -0.384 0.000 2.072 575 L HA -0.124 4.222 4.340 0.010 0.000 0.205 575 L C 2.497 179.066 176.870 -0.502 0.000 1.079 575 L CA 0.936 55.529 54.840 -0.411 0.000 0.752 575 L CB -0.627 41.210 42.059 -0.371 0.000 0.906 575 L HN 0.227 nan 8.230 nan 0.000 0.436 576 V N 0.278 119.817 119.914 -0.625 0.000 2.343 576 V HA -0.276 3.850 4.120 0.010 0.000 0.247 576 V C 2.413 178.286 176.094 -0.368 0.000 1.051 576 V CA 1.552 63.386 62.300 -0.777 0.000 1.036 576 V CB -0.367 31.028 31.823 -0.712 0.000 0.654 576 V HN 0.353 nan 8.190 nan 0.000 0.451 577 L N -0.808 120.253 121.223 -0.269 0.000 2.131 577 L HA -0.165 4.181 4.340 0.010 0.000 0.210 577 L C 2.398 179.272 176.870 0.006 0.000 1.092 577 L CA 1.042 55.693 54.840 -0.315 0.000 0.759 577 L CB -0.477 41.020 42.059 -0.937 0.000 0.903 577 L HN 0.358 nan 8.230 nan 0.000 0.435 578 L N 0.088 121.387 121.223 0.126 0.000 2.072 578 L HA -0.060 4.286 4.340 0.010 0.000 0.205 578 L C 2.633 179.568 176.870 0.108 0.000 1.079 578 L CA 1.916 56.885 54.840 0.215 0.000 0.752 578 L CB -0.697 41.406 42.059 0.073 0.000 0.906 578 L HN 0.104 nan 8.230 nan 0.000 0.436 579 A N -0.536 122.292 122.820 0.012 0.000 1.908 579 A HA -0.283 4.043 4.320 0.010 0.000 0.218 579 A C 2.292 179.942 177.584 0.110 0.000 1.181 579 A CA 1.763 53.833 52.037 0.056 0.000 0.627 579 A CB -1.497 17.512 19.000 0.015 0.000 0.818 579 A HN 0.795 nan 8.150 nan 0.000 0.445 580 W N 1.669 122.916 121.300 -0.088 0.000 2.317 580 W HA -0.254 4.414 4.660 0.014 0.000 0.318 580 W C 1.890 178.401 176.519 -0.013 0.000 1.227 580 W CA 2.256 59.564 57.345 -0.062 0.000 1.269 580 W CB -0.223 29.168 29.460 -0.115 0.000 1.155 580 W HN 0.498 nan 8.180 nan 0.000 0.484 581 I N -0.671 119.925 120.570 0.043 0.000 2.830 581 I HA -0.107 4.069 4.170 0.010 0.000 0.263 581 I C 1.033 177.108 176.117 -0.070 0.000 1.230 581 I CA 1.273 62.537 61.300 -0.060 0.000 1.480 581 I CB -0.938 37.140 38.000 0.130 0.000 1.095 581 I HN -0.170 nan 8.210 nan 0.000 0.455 582 N N 1.883 120.571 118.700 -0.020 0.000 2.370 582 N HA 0.007 4.753 4.740 0.010 0.000 0.198 582 N C -0.057 175.421 175.510 -0.054 0.000 1.156 582 N CA 0.276 53.315 53.050 -0.019 0.000 0.839 582 N CB -0.221 38.283 38.487 0.029 0.000 0.989 582 N HN 0.463 nan 8.380 nan 0.000 0.468 583 E N -1.252 118.871 120.200 -0.128 0.000 2.971 583 E HA -0.169 4.187 4.350 0.010 0.000 0.278 583 E C -0.684 175.876 176.600 -0.066 0.000 1.009 583 E CA 0.135 56.444 56.400 -0.151 0.000 0.862 583 E CB -1.647 27.974 29.700 -0.132 0.000 1.436 583 E HN 0.034 nan 8.360 nan 0.000 0.434 584 V N 1.203 121.114 119.914 -0.005 0.000 2.529 584 V HA 0.070 4.196 4.120 0.010 0.000 0.292 584 V C -1.622 174.511 176.094 0.064 0.000 1.028 584 V CA -0.734 61.598 62.300 0.052 0.000 1.074 584 V CB 0.267 32.159 31.823 0.115 0.000 0.958 584 V HN 0.012 nan 8.190 nan 0.000 0.481 585 P HA -0.001 nan 4.420 nan 0.000 0.265 585 P C 0.957 178.331 177.300 0.124 0.000 1.187 585 P CA 0.179 63.323 63.100 0.073 0.000 0.766 585 P CB 0.574 32.308 31.700 0.057 0.000 0.820 586 E N 2.460 122.754 120.200 0.157 0.000 2.114 586 E HA -0.233 4.123 4.350 0.010 0.000 0.199 586 E C 2.075 178.758 176.600 0.138 0.000 1.008 586 E CA 1.864 58.380 56.400 0.192 0.000 0.810 586 E CB -0.653 29.170 29.700 0.205 0.000 0.739 586 E HN 0.683 nan 8.360 nan 0.000 0.456 587 G N 0.384 109.248 108.800 0.108 0.000 2.422 587 G HA2 -0.282 3.684 3.960 0.010 0.000 0.218 587 G HA3 -0.282 3.684 3.960 0.010 0.000 0.218 587 G C 1.301 176.251 174.900 0.084 0.000 1.146 587 G CA 0.864 46.016 45.100 0.086 0.000 0.769 587 G HN 0.316 nan 8.290 nan 0.000 0.547 588 E N -0.197 120.056 120.200 0.089 0.000 2.152 588 E HA 0.005 4.361 4.350 0.010 0.000 0.192 588 E C 2.500 179.174 176.600 0.124 0.000 0.983 588 E CA 0.291 56.742 56.400 0.084 0.000 0.818 588 E CB -0.066 29.681 29.700 0.079 0.000 0.758 588 E HN 0.487 nan 8.360 nan 0.000 0.467 589 I N 0.484 121.157 120.570 0.172 0.000 2.163 589 I HA -0.244 3.932 4.170 0.010 0.000 0.240 589 I C 2.355 178.590 176.117 0.198 0.000 1.081 589 I CA 0.696 62.150 61.300 0.256 0.000 1.353 589 I CB -0.279 37.826 38.000 0.175 0.000 1.054 589 I HN -0.017 nan 8.210 nan 0.000 0.407 590 V N 0.730 120.713 119.914 0.116 0.000 2.282 590 V HA -0.339 3.787 4.120 0.010 0.000 0.249 590 V C 2.539 178.675 176.094 0.069 0.000 1.057 590 V CA 2.094 64.442 62.300 0.079 0.000 1.032 590 V CB -0.638 31.234 31.823 0.082 0.000 0.645 590 V HN 0.467 nan 8.190 nan 0.000 0.447 591 E N -0.196 120.041 120.200 0.062 0.000 2.046 591 E HA -0.236 4.120 4.350 0.010 0.000 0.190 591 E C 2.369 178.960 176.600 -0.014 0.000 0.982 591 E CA 1.410 57.828 56.400 0.029 0.000 0.800 591 E CB -0.035 29.681 29.700 0.026 0.000 0.756 591 E HN 0.563 nan 8.360 nan 0.000 0.449 592 K N -0.438 119.931 120.400 -0.053 0.000 2.103 592 K HA -0.130 4.196 4.320 0.010 0.000 0.204 592 K C 1.204 177.586 176.600 -0.364 0.000 1.052 592 K CA 1.145 57.285 56.287 -0.246 0.000 0.945 592 K CB 0.012 32.268 32.500 -0.407 0.000 0.722 592 K HN 0.116 nan 8.250 nan 0.000 0.443 593 Y N 0.572 120.835 120.300 -0.062 0.000 2.485 593 Y HA 0.261 4.816 4.550 0.009 0.000 0.260 593 Y C 0.030 175.869 175.900 -0.101 0.000 1.173 593 Y CA -0.291 57.748 58.100 -0.101 0.000 1.252 593 Y CB 0.604 38.951 38.460 -0.189 0.000 1.123 593 Y HN -0.125 nan 8.280 nan 0.000 0.524 594 S N 0.832 116.561 115.700 0.048 0.000 3.436 594 S HA -0.097 4.379 4.470 0.010 0.000 0.393 594 S C -0.220 174.391 174.600 0.020 0.000 0.914 594 S CA 0.587 58.810 58.200 0.039 0.000 1.317 594 S CB -2.001 61.231 63.200 0.053 0.000 0.920 594 S HN 0.414 nan 8.310 nan 0.000 0.564 595 V N -2.104 117.801 119.914 -0.015 0.000 3.130 595 V HA 0.823 4.949 4.120 0.010 0.000 0.310 595 V C -0.289 175.839 176.094 0.056 0.000 1.158 595 V CA -1.242 61.031 62.300 -0.044 0.000 1.029 595 V CB 2.157 33.717 31.823 -0.438 0.000 1.057 595 V HN 0.359 nan 8.190 nan 0.000 0.436 596 E N 1.912 122.197 120.200 0.142 0.000 2.212 596 E HA 0.431 4.787 4.350 0.010 0.000 0.270 596 E C -2.194 174.500 176.600 0.157 0.000 0.956 596 E CA -1.908 54.581 56.400 0.148 0.000 0.825 596 E CB 2.229 32.029 29.700 0.167 0.000 1.167 596 E HN 0.492 nan 8.360 nan 0.000 0.400 597 P HA -0.236 nan 4.420 nan 0.000 0.215 597 P C 1.314 178.684 177.300 0.117 0.000 1.163 597 P CA 1.691 64.859 63.100 0.113 0.000 0.894 597 P CB 0.061 31.816 31.700 0.092 0.000 0.791 598 G N -0.429 108.434 108.800 0.105 0.000 2.440 598 G HA2 -0.265 3.702 3.960 0.010 0.000 0.218 598 G HA3 -0.265 3.702 3.960 0.010 0.000 0.218 598 G C 1.269 176.233 174.900 0.107 0.000 1.154 598 G CA 1.099 46.252 45.100 0.088 0.000 0.767 598 G HN 0.206 nan 8.290 nan 0.000 0.552 599 D N 0.494 120.967 120.400 0.121 0.000 2.149 599 D HA -0.032 4.614 4.640 0.010 0.000 0.201 599 D C 2.608 178.928 176.300 0.033 0.000 0.972 599 D CA 0.345 54.385 54.000 0.066 0.000 0.835 599 D CB -0.079 40.821 40.800 0.167 0.000 0.966 599 D HN 0.367 nan 8.370 nan 0.000 0.476 600 I N 0.267 120.940 120.570 0.172 0.000 2.163 600 I HA -0.313 3.863 4.170 0.010 0.000 0.243 600 I C 2.436 178.432 176.117 -0.202 0.000 1.085 600 I CA 1.054 62.380 61.300 0.043 0.000 1.347 600 I CB -0.371 37.610 38.000 -0.032 0.000 1.044 600 I HN -0.006 nan 8.210 nan 0.000 0.408 601 Y N 1.811 121.999 120.300 -0.187 0.000 2.128 601 Y HA -0.328 4.227 4.550 0.009 0.000 0.284 601 Y C 2.872 178.656 175.900 -0.193 0.000 1.154 601 Y CA 2.039 60.023 58.100 -0.194 0.000 1.149 601 Y CB -0.282 38.120 38.460 -0.097 0.000 0.976 601 Y HN -0.020 nan 8.280 nan 0.000 0.505 602 R N 0.066 120.564 120.500 -0.003 0.000 2.070 602 R HA -0.164 4.182 4.340 0.010 0.000 0.233 602 R C 1.998 178.164 176.300 -0.224 0.000 1.137 602 R CA 2.060 58.115 56.100 -0.074 0.000 0.945 602 R CB -0.409 29.876 30.300 -0.024 0.000 0.845 602 R HN 0.364 nan 8.270 nan 0.000 0.430 603 I N 0.880 121.263 120.570 -0.312 0.000 2.264 603 I HA -0.209 3.967 4.170 0.010 0.000 0.248 603 I C 2.451 178.356 176.117 -0.353 0.000 1.111 603 I CA 0.989 62.065 61.300 -0.373 0.000 1.382 603 I CB -1.057 36.581 38.000 -0.603 0.000 1.060 603 I HN 0.109 nan 8.210 nan 0.000 0.418 604 V N 0.719 120.353 119.914 -0.466 0.000 2.343 604 V HA -0.286 3.841 4.120 0.010 0.000 0.247 604 V C 2.611 178.492 176.094 -0.356 0.000 1.051 604 V CA 2.039 64.018 62.300 -0.536 0.000 1.036 604 V CB -0.539 30.770 31.823 -0.858 0.000 0.654 604 V HN 0.431 nan 8.190 nan 0.000 0.451 605 E N -0.363 119.603 120.200 -0.389 0.000 2.051 605 E HA -0.211 4.145 4.350 0.010 0.000 0.192 605 E C 2.226 178.766 176.600 -0.099 0.000 0.991 605 E CA 1.889 58.115 56.400 -0.290 0.000 0.799 605 E CB -0.137 29.347 29.700 -0.360 0.000 0.748 605 E HN 0.615 nan 8.360 nan 0.000 0.449 606 T N 0.417 114.940 114.554 -0.051 0.000 2.777 606 T HA -0.117 4.239 4.350 0.010 0.000 0.266 606 T C 1.846 176.646 174.700 0.166 0.000 1.040 606 T CA 1.170 63.366 62.100 0.160 0.000 1.141 606 T CB -0.321 68.622 68.868 0.125 0.000 0.868 606 T HN 0.327 nan 8.240 nan 0.000 0.444 607 A N 1.682 124.497 122.820 -0.008 0.000 1.908 607 A HA -0.164 4.162 4.320 0.010 0.000 0.218 607 A C 2.311 179.929 177.584 0.056 0.000 1.181 607 A CA 1.695 53.718 52.037 -0.023 0.000 0.627 607 A CB -0.565 18.324 19.000 -0.186 0.000 0.818 607 A HN 0.434 nan 8.150 nan 0.000 0.445 608 E N -0.844 119.381 120.200 0.042 0.000 2.058 608 E HA -0.251 4.105 4.350 0.010 0.000 0.194 608 E C 1.847 178.574 176.600 0.211 0.000 0.997 608 E CA 1.896 58.349 56.400 0.088 0.000 0.801 608 E CB -0.437 29.263 29.700 0.000 0.000 0.746 608 E HN 0.773 nan 8.360 nan 0.000 0.450 609 W N 1.628 122.947 121.300 0.031 0.000 2.355 609 W HA -0.153 4.511 4.660 0.007 0.000 0.309 609 W C 2.088 178.759 176.519 0.254 0.000 1.206 609 W CA 1.559 58.974 57.345 0.117 0.000 1.284 609 W CB -0.757 28.736 29.460 0.055 0.000 1.145 609 W HN 0.040 nan 8.180 nan 0.000 0.502 610 L N -0.035 121.169 121.223 -0.032 0.000 2.093 610 L HA -0.192 4.155 4.340 0.010 0.000 0.208 610 L C 2.295 179.188 176.870 0.037 0.000 1.085 610 L CA 1.081 55.834 54.840 -0.146 0.000 0.755 610 L CB -1.228 40.799 42.059 -0.054 0.000 0.904 610 L HN -0.142 nan 8.230 nan 0.000 0.435 611 V N -0.771 119.198 119.914 0.092 0.000 2.358 611 V HA -0.322 3.804 4.120 0.010 0.000 0.246 611 V C 2.257 178.395 176.094 0.074 0.000 1.047 611 V CA 1.776 64.118 62.300 0.071 0.000 1.035 611 V CB -0.671 31.242 31.823 0.150 0.000 0.658 611 V HN 0.413 nan 8.190 nan 0.000 0.452 612 Y N 1.471 121.797 120.300 0.044 0.000 2.128 612 Y HA -0.255 4.301 4.550 0.009 0.000 0.284 612 Y C 2.708 178.648 175.900 0.067 0.000 1.154 612 Y CA 1.943 60.087 58.100 0.073 0.000 1.149 612 Y CB -0.410 38.135 38.460 0.142 0.000 0.976 612 Y HN 0.208 nan 8.280 nan 0.000 0.505 613 S N 0.394 116.112 115.700 0.030 0.000 2.382 613 S HA -0.169 4.307 4.470 0.010 0.000 0.228 613 S C 1.871 176.473 174.600 0.003 0.000 1.027 613 S CA 1.329 59.525 58.200 -0.007 0.000 0.991 613 S CB -0.687 62.533 63.200 0.034 0.000 0.823 613 S HN 0.496 nan 8.310 nan 0.000 0.469 614 L N 2.215 123.363 121.223 -0.125 0.000 2.056 614 L HA 0.031 4.377 4.340 0.010 0.000 0.207 614 L C 2.119 178.832 176.870 -0.261 0.000 1.078 614 L CA 1.827 56.397 54.840 -0.450 0.000 0.749 614 L CB -0.591 41.001 42.059 -0.778 0.000 0.901 614 L HN 0.123 nan 8.230 nan 0.000 0.433 615 K N -0.728 119.547 120.400 -0.209 0.000 2.057 615 K HA -0.190 4.137 4.320 0.010 0.000 0.207 615 K C 1.881 178.363 176.600 -0.198 0.000 1.049 615 K CA 1.580 57.765 56.287 -0.171 0.000 0.931 615 K CB -0.059 32.365 32.500 -0.127 0.000 0.714 615 K HN 0.361 nan 8.250 nan 0.000 0.440 616 E N 0.651 120.686 120.200 -0.275 0.000 2.150 616 E HA -0.129 4.227 4.350 0.010 0.000 0.193 616 E C 1.987 178.513 176.600 -0.124 0.000 0.985 616 E CA 0.627 56.893 56.400 -0.223 0.000 0.814 616 E CB 0.030 29.544 29.700 -0.310 0.000 0.752 616 E HN 0.371 nan 8.360 nan 0.000 0.466 617 I N 0.754 121.275 120.570 -0.083 0.000 2.500 617 I HA -0.098 4.078 4.170 0.010 0.000 0.252 617 I C 2.285 178.331 176.117 -0.118 0.000 1.142 617 I CA 0.596 61.873 61.300 -0.039 0.000 1.451 617 I CB -1.203 36.854 38.000 0.095 0.000 1.093 617 I HN -0.087 nan 8.210 nan 0.000 0.430 618 A N 1.002 123.724 122.820 -0.164 0.000 1.933 618 A HA -0.204 4.122 4.320 0.010 0.000 0.218 618 A C 2.362 179.750 177.584 -0.328 0.000 1.175 618 A CA 1.403 53.308 52.037 -0.219 0.000 0.628 618 A CB -0.379 18.500 19.000 -0.202 0.000 0.814 618 A HN 0.311 nan 8.150 nan 0.000 0.444 619 K N -0.239 119.972 120.400 -0.315 0.000 2.002 619 K HA -0.112 4.214 4.320 0.010 0.000 0.209 619 K C 1.829 178.209 176.600 -0.367 0.000 1.048 619 K CA 1.704 57.723 56.287 -0.446 0.000 0.930 619 K CB -0.460 31.945 32.500 -0.158 0.000 0.714 619 K HN 0.403 nan 8.250 nan 0.000 0.438 620 V N 1.019 120.823 119.914 -0.184 0.000 2.490 620 V HA -0.193 3.933 4.120 0.010 0.000 0.250 620 V C 1.992 177.999 176.094 -0.144 0.000 1.061 620 V CA 1.520 63.751 62.300 -0.115 0.000 1.064 620 V CB -0.723 31.058 31.823 -0.070 0.000 0.670 620 V HN 0.242 nan 8.190 nan 0.000 0.461 621 L N 0.709 121.818 121.223 -0.191 0.000 2.558 621 L HA 0.353 4.699 4.340 0.010 0.000 0.225 621 L C 1.900 178.652 176.870 -0.198 0.000 1.128 621 L CA 0.841 55.577 54.840 -0.173 0.000 0.868 621 L CB -0.371 41.590 42.059 -0.162 0.000 1.006 621 L HN 0.598 nan 8.230 nan 0.000 0.454 622 G N 0.154 108.751 108.800 -0.339 0.000 2.141 622 G HA2 -0.290 3.676 3.960 0.010 0.000 0.242 622 G HA3 -0.290 3.676 3.960 0.010 0.000 0.242 622 G C 0.497 175.200 174.900 -0.329 0.000 0.982 622 G CA 0.076 44.963 45.100 -0.354 0.000 0.662 622 G HN 0.430 nan 8.290 nan 0.000 0.527 623 A N 0.145 122.752 122.820 -0.356 0.000 3.077 623 A HA 0.651 4.977 4.320 0.010 0.000 0.255 623 A C 0.947 178.412 177.584 -0.199 0.000 1.728 623 A CA 0.196 52.107 52.037 -0.210 0.000 1.383 623 A CB -0.589 18.299 19.000 -0.186 0.000 1.097 623 A HN 0.585 nan 8.150 nan 0.000 0.634 624 Y N 0.708 120.988 120.300 -0.032 0.000 2.497 624 Y HA -0.179 4.377 4.550 0.011 0.000 0.292 624 Y C 2.426 178.318 175.900 -0.014 0.000 1.137 624 Y CA 1.232 59.320 58.100 -0.020 0.000 1.285 624 Y CB 0.204 38.656 38.460 -0.013 0.000 0.991 624 Y HN 0.719 nan 8.280 nan 0.000 0.556 625 E N 1.217 121.477 120.200 0.101 0.000 2.338 625 E HA -0.154 4.202 4.350 0.010 0.000 0.197 625 E C 1.293 177.913 176.600 0.034 0.000 1.007 625 E CA 1.366 57.799 56.400 0.055 0.000 0.849 625 E CB -0.544 29.166 29.700 0.015 0.000 0.774 625 E HN 0.777 nan 8.360 nan 0.000 0.506 626 I N -2.745 117.838 120.570 0.022 0.000 4.025 626 I HA 0.161 4.337 4.170 0.010 0.000 0.336 626 I C 1.539 177.712 176.117 0.094 0.000 1.390 626 I CA -0.280 61.045 61.300 0.042 0.000 1.099 626 I CB 0.434 38.423 38.000 -0.018 0.000 1.049 626 I HN -0.252 nan 8.210 nan 0.000 0.394 627 V N 1.848 121.808 119.914 0.078 0.000 2.295 627 V HA -0.212 3.914 4.120 0.010 0.000 0.246 627 V C 2.207 178.359 176.094 0.097 0.000 1.049 627 V CA 2.254 64.600 62.300 0.077 0.000 1.024 627 V CB -0.659 31.233 31.823 0.115 0.000 0.648 627 V HN 0.437 nan 8.190 nan 0.000 0.447 628 D N -1.032 119.436 120.400 0.113 0.000 2.117 628 D HA -0.197 4.450 4.640 0.010 0.000 0.197 628 D C 1.943 178.307 176.300 0.107 0.000 0.987 628 D CA 1.556 55.617 54.000 0.102 0.000 0.829 628 D CB -0.282 40.577 40.800 0.097 0.000 0.961 628 D HN 0.571 nan 8.370 nan 0.000 0.460 629 Y N 1.583 121.894 120.300 0.018 0.000 2.128 629 Y HA -0.181 4.375 4.550 0.010 0.000 0.284 629 Y C 2.256 178.162 175.900 0.011 0.000 1.154 629 Y CA 1.402 59.508 58.100 0.009 0.000 1.149 629 Y CB -0.461 37.994 38.460 -0.007 0.000 0.976 629 Y HN -0.099 nan 8.280 nan 0.000 0.505 630 L N -0.035 121.213 121.223 0.042 0.000 2.046 630 L HA -0.192 4.154 4.340 0.010 0.000 0.208 630 L C 2.502 179.349 176.870 -0.037 0.000 1.077 630 L CA 1.777 56.593 54.840 -0.039 0.000 0.747 630 L CB -0.673 41.397 42.059 0.018 0.000 0.896 630 L HN 0.227 nan 8.230 nan 0.000 0.432 631 E N 0.239 120.449 120.200 0.016 0.000 2.085 631 E HA -0.194 4.162 4.350 0.010 0.000 0.194 631 E C 1.983 178.599 176.600 0.028 0.000 0.994 631 E CA 2.148 58.583 56.400 0.059 0.000 0.801 631 E CB -0.247 29.501 29.700 0.081 0.000 0.743 631 E HN 0.272 nan 8.360 nan 0.000 0.453 632 T N 0.812 115.347 114.554 -0.032 0.000 2.777 632 T HA -0.113 4.243 4.350 0.010 0.000 0.266 632 T C 1.684 176.336 174.700 -0.080 0.000 1.040 632 T CA 1.151 63.221 62.100 -0.051 0.000 1.141 632 T CB -0.381 68.439 68.868 -0.081 0.000 0.868 632 T HN 0.147 nan 8.240 nan 0.000 0.444 633 L N 1.586 122.695 121.223 -0.189 0.000 2.046 633 L HA -0.010 4.336 4.340 0.010 0.000 0.208 633 L C 2.539 179.435 176.870 0.044 0.000 1.077 633 L CA 1.747 56.501 54.840 -0.143 0.000 0.747 633 L CB -0.542 41.344 42.059 -0.289 0.000 0.896 633 L HN 0.090 nan 8.230 nan 0.000 0.432 634 R N -0.900 119.635 120.500 0.058 0.000 2.096 634 R HA -0.169 4.177 4.340 0.010 0.000 0.240 634 R C 2.006 178.373 176.300 0.112 0.000 1.139 634 R CA 2.322 58.493 56.100 0.118 0.000 0.952 634 R CB -0.485 29.905 30.300 0.150 0.000 0.854 634 R HN 0.357 nan 8.270 nan 0.000 0.436 635 V N 1.208 121.189 119.914 0.111 0.000 2.427 635 V HA -0.188 3.938 4.120 0.010 0.000 0.248 635 V C 2.478 178.690 176.094 0.197 0.000 1.051 635 V CA 1.892 64.292 62.300 0.167 0.000 1.048 635 V CB -0.578 31.345 31.823 0.166 0.000 0.666 635 V HN 0.392 nan 8.190 nan 0.000 0.456 636 R N -0.371 120.202 120.500 0.121 0.000 2.092 636 R HA -0.094 4.253 4.340 0.010 0.000 0.231 636 R C 2.235 178.616 176.300 0.134 0.000 1.119 636 R CA 1.293 57.450 56.100 0.095 0.000 0.970 636 R CB -0.462 29.869 30.300 0.052 0.000 0.864 636 R HN 0.414 nan 8.270 nan 0.000 0.440 637 V N 1.403 121.436 119.914 0.199 0.000 2.358 637 V HA -0.229 3.897 4.120 0.010 0.000 0.246 637 V C 2.379 178.654 176.094 0.301 0.000 1.047 637 V CA 1.555 64.024 62.300 0.281 0.000 1.035 637 V CB -0.449 31.475 31.823 0.169 0.000 0.658 637 V HN 0.294 nan 8.190 nan 0.000 0.452 638 K N -0.555 119.899 120.400 0.090 0.000 2.074 638 K HA -0.214 4.112 4.320 0.010 0.000 0.209 638 K C 1.875 178.347 176.600 -0.214 0.000 1.048 638 K CA 2.222 58.412 56.287 -0.162 0.000 0.926 638 K CB -0.166 32.105 32.500 -0.382 0.000 0.713 638 K HN 0.601 nan 8.250 nan 0.000 0.444 639 Y N -1.393 118.972 120.300 0.108 0.000 2.442 639 Y HA 0.267 4.823 4.550 0.011 0.000 0.250 639 Y C 0.915 176.616 175.900 -0.332 0.000 1.113 639 Y CA 0.091 58.192 58.100 0.001 0.000 1.273 639 Y CB 1.263 39.684 38.460 -0.064 0.000 1.138 639 Y HN 0.229 nan 8.280 nan 0.000 0.522 640 G N 2.166 110.688 108.800 -0.463 0.000 2.326 640 G HA2 -0.256 3.710 3.960 0.010 0.000 0.286 640 G HA3 -0.256 3.710 3.960 0.010 0.000 0.286 640 G C -0.169 174.309 174.900 -0.704 0.000 1.096 640 G CA 0.442 44.635 45.100 -1.513 0.000 1.003 640 G HN 0.510 nan 8.290 nan 0.000 0.503 641 I N -3.934 116.440 120.570 -0.326 0.000 3.074 641 I HA 0.799 4.976 4.170 0.010 0.000 0.310 641 I C 0.117 176.149 176.117 -0.141 0.000 1.153 641 I CA -1.947 59.224 61.300 -0.215 0.000 0.993 641 I CB 1.585 39.488 38.000 -0.161 0.000 1.237 641 I HN 0.008 nan 8.210 nan 0.000 0.443 642 R N 1.577 121.990 120.500 -0.146 0.000 2.531 642 R HA 0.133 4.479 4.340 0.010 0.000 0.273 642 R C 0.980 177.208 176.300 -0.119 0.000 1.070 642 R CA -0.257 55.772 56.100 -0.118 0.000 1.112 642 R CB 1.081 31.300 30.300 -0.135 0.000 1.049 642 R HN 0.835 nan 8.270 nan 0.000 0.508 643 E N 2.366 122.516 120.200 -0.083 0.000 2.169 643 E HA -0.315 4.041 4.350 0.010 0.000 0.202 643 E C 1.204 177.751 176.600 -0.088 0.000 1.016 643 E CA 2.236 58.596 56.400 -0.066 0.000 0.817 643 E CB 0.128 29.805 29.700 -0.038 0.000 0.736 643 E HN 0.718 nan 8.360 nan 0.000 0.462 644 E N 0.265 120.379 120.200 -0.142 0.000 2.333 644 E HA -0.183 4.174 4.350 0.010 0.000 0.198 644 E C 2.000 178.467 176.600 -0.222 0.000 1.007 644 E CA 0.929 57.219 56.400 -0.182 0.000 0.845 644 E CB -0.231 29.270 29.700 -0.332 0.000 0.766 644 E HN 0.415 nan 8.360 nan 0.000 0.507 645 L N 0.593 121.670 121.223 -0.242 0.000 2.446 645 L HA 0.089 4.435 4.340 0.010 0.000 0.219 645 L C 2.320 179.113 176.870 -0.128 0.000 1.116 645 L CA 0.030 54.760 54.840 -0.183 0.000 0.844 645 L CB -0.298 41.637 42.059 -0.207 0.000 0.970 645 L HN 0.134 nan 8.230 nan 0.000 0.457 646 I N 1.112 121.612 120.570 -0.118 0.000 2.181 646 I HA -0.280 3.896 4.170 0.010 0.000 0.247 646 I C -0.285 175.764 176.117 -0.113 0.000 1.081 646 I CA 1.761 62.986 61.300 -0.124 0.000 1.340 646 I CB -1.508 36.459 38.000 -0.055 0.000 1.036 646 I HN 0.250 nan 8.210 nan 0.000 0.417 647 P HA -0.130 nan 4.420 nan 0.000 0.221 647 P C 1.599 178.881 177.300 -0.031 0.000 1.145 647 P CA 1.295 64.387 63.100 -0.014 0.000 0.795 647 P CB 0.025 31.746 31.700 0.036 0.000 0.775 648 L N -2.562 118.627 121.223 -0.056 0.000 2.477 648 L HA 0.075 4.421 4.340 0.010 0.000 0.220 648 L C 1.683 178.453 176.870 -0.168 0.000 1.106 648 L CA 0.290 55.090 54.840 -0.068 0.000 0.851 648 L CB -0.622 41.429 42.059 -0.013 0.000 0.994 648 L HN -0.050 nan 8.230 nan 0.000 0.462 649 M N 0.234 119.664 119.600 -0.283 0.000 2.632 649 M HA -0.138 4.348 4.480 0.010 0.000 0.256 649 M C 2.016 178.119 176.300 -0.328 0.000 1.080 649 M CA 1.074 56.097 55.300 -0.461 0.000 1.084 649 M CB -1.085 30.871 32.600 -1.072 0.000 1.439 649 M HN 0.450 nan 8.290 nan 0.000 0.509 650 Q N -0.097 119.566 119.800 -0.227 0.000 2.425 650 Q HA 0.153 4.499 4.340 0.010 0.000 0.204 650 Q C 0.257 176.008 176.000 -0.416 0.000 0.933 650 Q CA 0.132 55.819 55.803 -0.194 0.000 0.939 650 Q CB -0.040 28.662 28.738 -0.059 0.000 1.044 650 Q HN 0.401 nan 8.270 nan 0.000 0.513 651 L N 2.711 123.696 121.223 -0.397 0.000 2.397 651 L HA 0.352 4.698 4.340 0.010 0.000 0.271 651 L C -2.122 174.508 176.870 -0.400 0.000 1.148 651 L CA -2.317 52.208 54.840 -0.526 0.000 0.825 651 L CB 0.442 42.337 42.059 -0.273 0.000 1.117 651 L HN -0.032 nan 8.230 nan 0.000 0.456 652 P HA 0.083 nan 4.420 nan 0.000 0.268 652 P C 0.213 177.448 177.300 -0.109 0.000 1.205 652 P CA -0.187 62.789 63.100 -0.207 0.000 0.771 652 P CB 0.424 32.044 31.700 -0.133 0.000 0.858 653 L N -0.499 120.688 121.223 -0.060 0.000 4.137 653 L HA -0.192 4.154 4.340 0.010 0.000 0.421 653 L C -0.303 176.549 176.870 -0.029 0.000 1.162 653 L CA 0.261 55.085 54.840 -0.027 0.000 0.978 653 L CB -2.087 39.962 42.059 -0.017 0.000 1.957 653 L HN 0.187 nan 8.230 nan 0.000 0.978 654 V N 0.252 120.136 119.914 -0.051 0.000 2.334 654 V HA 0.707 4.833 4.120 0.010 0.000 0.281 654 V C 0.993 177.068 176.094 -0.031 0.000 1.016 654 V CA 0.302 62.572 62.300 -0.050 0.000 0.832 654 V CB 1.392 33.163 31.823 -0.086 0.000 0.999 654 V HN 0.287 nan 8.190 nan 0.000 0.439 655 G N 4.171 112.969 108.800 -0.003 0.000 2.753 655 G HA2 0.410 4.376 3.960 0.010 0.000 0.285 655 G HA3 0.410 4.376 3.960 0.010 0.000 0.285 655 G C 0.892 175.781 174.900 -0.020 0.000 1.344 655 G CA -0.414 44.702 45.100 0.026 0.000 1.050 655 G HN 0.697 nan 8.290 nan 0.000 0.532 656 R N -0.493 119.985 120.500 -0.035 0.000 2.117 656 R HA -0.129 4.217 4.340 0.010 0.000 0.243 656 R C 2.110 178.365 176.300 -0.076 0.000 1.143 656 R CA 1.497 57.534 56.100 -0.106 0.000 0.968 656 R CB -0.368 29.798 30.300 -0.223 0.000 0.863 656 R HN 0.470 nan 8.270 nan 0.000 0.444 657 R N 0.762 121.239 120.500 -0.039 0.000 2.062 657 R HA -0.015 4.331 4.340 0.010 0.000 0.229 657 R C 2.456 178.752 176.300 -0.008 0.000 1.128 657 R CA 1.422 57.511 56.100 -0.018 0.000 0.960 657 R CB -0.031 30.271 30.300 0.003 0.000 0.855 657 R HN 0.265 nan 8.270 nan 0.000 0.432 658 R N -0.221 120.275 120.500 -0.007 0.000 2.092 658 R HA -0.021 4.325 4.340 0.010 0.000 0.231 658 R C 2.301 178.603 176.300 0.003 0.000 1.119 658 R CA 1.207 57.306 56.100 -0.003 0.000 0.970 658 R CB -0.267 30.026 30.300 -0.011 0.000 0.864 658 R HN 0.231 nan 8.270 nan 0.000 0.440 659 A N 1.130 123.941 122.820 -0.016 0.000 1.908 659 A HA -0.236 4.090 4.320 0.010 0.000 0.218 659 A C 2.112 179.723 177.584 0.045 0.000 1.181 659 A CA 1.651 53.685 52.037 -0.005 0.000 0.627 659 A CB -0.392 18.569 19.000 -0.064 0.000 0.818 659 A HN 0.115 nan 8.150 nan 0.000 0.445 660 R N -0.055 120.452 120.500 0.012 0.000 2.073 660 R HA -0.021 4.325 4.340 0.010 0.000 0.234 660 R C 2.212 178.568 176.300 0.093 0.000 1.134 660 R CA 1.885 58.005 56.100 0.033 0.000 0.952 660 R CB -0.800 29.494 30.300 -0.010 0.000 0.850 660 R HN 0.410 nan 8.270 nan 0.000 0.433 661 A N 0.138 122.999 122.820 0.068 0.000 1.930 661 A HA -0.071 4.256 4.320 0.010 0.000 0.217 661 A C 2.208 179.863 177.584 0.118 0.000 1.175 661 A CA 1.290 53.374 52.037 0.077 0.000 0.627 661 A CB -0.513 18.514 19.000 0.045 0.000 0.815 661 A HN 0.341 nan 8.150 nan 0.000 0.443 662 L N -2.507 118.791 121.223 0.124 0.000 2.044 662 L HA -0.156 4.190 4.340 0.010 0.000 0.205 662 L C 2.563 179.587 176.870 0.257 0.000 1.075 662 L CA 1.734 56.682 54.840 0.179 0.000 0.747 662 L CB -0.677 41.457 42.059 0.124 0.000 0.903 662 L HN 0.550 nan 8.230 nan 0.000 0.435 663 Y N 1.337 121.693 120.300 0.093 0.000 2.128 663 Y HA -0.280 4.276 4.550 0.011 0.000 0.284 663 Y C 2.358 178.289 175.900 0.052 0.000 1.154 663 Y CA 1.812 59.950 58.100 0.063 0.000 1.149 663 Y CB -0.096 38.376 38.460 0.021 0.000 0.976 663 Y HN 0.224 nan 8.280 nan 0.000 0.505 664 N N -0.684 118.169 118.700 0.255 0.000 2.520 664 N HA -0.092 4.654 4.740 0.010 0.000 0.185 664 N C 1.091 176.646 175.510 0.075 0.000 1.068 664 N CA 1.254 54.398 53.050 0.155 0.000 0.911 664 N CB -0.104 38.467 38.487 0.140 0.000 0.961 664 N HN 0.173 nan 8.380 nan 0.000 0.446 665 S N -1.369 114.393 115.700 0.103 0.000 2.554 665 S HA 0.346 4.822 4.470 0.010 0.000 0.226 665 S C 1.269 175.850 174.600 -0.032 0.000 0.980 665 S CA 0.249 58.518 58.200 0.115 0.000 0.939 665 S CB 0.686 64.042 63.200 0.260 0.000 0.832 665 S HN 0.510 nan 8.310 nan 0.000 0.486 666 G N 1.273 109.969 108.800 -0.173 0.000 2.179 666 G HA2 -0.219 3.747 3.960 0.010 0.000 0.220 666 G HA3 -0.219 3.747 3.960 0.010 0.000 0.220 666 G C -0.104 174.437 174.900 -0.598 0.000 0.990 666 G CA -0.590 44.252 45.100 -0.430 0.000 0.646 666 G HN 0.450 nan 8.290 nan 0.000 0.517 667 F N 1.718 121.596 119.950 -0.119 0.000 2.309 667 F HA 0.567 5.100 4.527 0.010 0.000 0.366 667 F C 1.560 177.294 175.800 -0.110 0.000 1.104 667 F CA -0.658 57.293 58.000 -0.081 0.000 1.179 667 F CB 0.902 39.892 39.000 -0.018 0.000 1.437 667 F HN -0.025 nan 8.300 nan 0.000 0.528 668 R N 0.253 120.688 120.500 -0.108 0.000 2.237 668 R HA 0.135 4.481 4.340 0.010 0.000 0.195 668 R C 0.600 176.934 176.300 0.057 0.000 0.956 668 R CA 0.397 56.425 56.100 -0.120 0.000 1.029 668 R CB 0.384 30.442 30.300 -0.404 0.000 0.972 668 R HN 0.548 nan 8.270 nan 0.000 0.493 669 S N -0.903 114.822 115.700 0.041 0.000 2.667 669 S HA 0.310 4.786 4.470 0.010 0.000 0.292 669 S C 0.872 175.515 174.600 0.071 0.000 1.126 669 S CA -0.884 57.349 58.200 0.055 0.000 0.881 669 S CB 1.452 64.670 63.200 0.029 0.000 1.132 669 S HN -0.153 nan 8.310 nan 0.000 0.492 670 I N 1.028 121.636 120.570 0.065 0.000 2.614 670 I HA -0.060 4.116 4.170 0.010 0.000 0.258 670 I C 2.449 178.600 176.117 0.057 0.000 1.189 670 I CA 1.346 62.691 61.300 0.075 0.000 1.462 670 I CB -1.286 36.767 38.000 0.089 0.000 1.092 670 I HN 0.900 nan 8.210 nan 0.000 0.442 671 E N 0.959 121.184 120.200 0.041 0.000 2.072 671 E HA -0.205 4.151 4.350 0.010 0.000 0.190 671 E C 1.540 178.162 176.600 0.036 0.000 0.982 671 E CA 1.038 57.452 56.400 0.023 0.000 0.803 671 E CB 0.229 29.934 29.700 0.009 0.000 0.755 671 E HN 0.401 nan 8.360 nan 0.000 0.453 672 D N 0.808 121.239 120.400 0.051 0.000 2.117 672 D HA -0.163 4.483 4.640 0.010 0.000 0.197 672 D C 1.943 178.392 176.300 0.249 0.000 0.987 672 D CA 0.727 54.773 54.000 0.077 0.000 0.829 672 D CB -0.059 40.745 40.800 0.006 0.000 0.961 672 D HN 0.248 nan 8.370 nan 0.000 0.460 673 I N 0.706 121.425 120.570 0.250 0.000 2.493 673 I HA -0.146 4.031 4.170 0.010 0.000 0.254 673 I C 2.446 178.576 176.117 0.023 0.000 1.160 673 I CA 0.695 62.109 61.300 0.191 0.000 1.445 673 I CB -0.896 37.165 38.000 0.102 0.000 1.086 673 I HN -0.097 nan 8.210 nan 0.000 0.433 674 S N 0.908 116.608 115.700 -0.000 0.000 2.402 674 S HA -0.164 4.312 4.470 0.010 0.000 0.229 674 S C 1.621 176.168 174.600 -0.089 0.000 1.021 674 S CA 1.054 59.203 58.200 -0.086 0.000 0.974 674 S CB -0.032 63.141 63.200 -0.046 0.000 0.800 674 S HN 0.664 nan 8.310 nan 0.000 0.484 675 Q N 0.174 119.973 119.800 -0.003 0.000 2.204 675 Q HA 0.518 4.864 4.340 0.010 0.000 0.209 675 Q C 0.180 176.232 176.000 0.085 0.000 0.861 675 Q CA -0.216 55.598 55.803 0.019 0.000 0.971 675 Q CB 0.265 29.016 28.738 0.022 0.000 1.095 675 Q HN 0.427 nan 8.270 nan 0.000 0.486 676 A N 1.600 124.498 122.820 0.129 0.000 2.304 676 A HA 0.506 4.832 4.320 0.010 0.000 0.301 676 A C -0.215 177.542 177.584 0.290 0.000 1.132 676 A CA -0.709 51.482 52.037 0.256 0.000 0.819 676 A CB 0.673 19.879 19.000 0.344 0.000 1.094 676 A HN 0.251 nan 8.150 nan 0.000 0.492 677 R N 2.389 123.044 120.500 0.257 0.000 2.357 677 R HA 0.228 4.574 4.340 0.010 0.000 0.296 677 R C -1.729 174.682 176.300 0.185 0.000 1.052 677 R CA -1.653 54.582 56.100 0.225 0.000 0.988 677 R CB 0.817 31.192 30.300 0.127 0.000 1.025 677 R HN 0.561 nan 8.270 nan 0.000 0.469 678 P HA -0.263 nan 4.420 nan 0.000 0.217 678 P C 0.681 177.881 177.300 -0.167 0.000 1.151 678 P CA 1.692 64.592 63.100 -0.333 0.000 0.849 678 P CB 0.222 31.612 31.700 -0.517 0.000 0.787 679 E N 0.683 120.839 120.200 -0.072 0.000 2.204 679 E HA -0.201 4.155 4.350 0.010 0.000 0.195 679 E C 1.895 178.487 176.600 -0.014 0.000 0.990 679 E CA 1.092 57.467 56.400 -0.042 0.000 0.821 679 E CB -0.938 28.756 29.700 -0.010 0.000 0.750 679 E HN 0.333 nan 8.360 nan 0.000 0.477 680 E N 0.594 120.809 120.200 0.025 0.000 2.150 680 E HA -0.094 4.262 4.350 0.010 0.000 0.193 680 E C 2.057 178.626 176.600 -0.051 0.000 0.985 680 E CA 1.030 57.479 56.400 0.082 0.000 0.814 680 E CB -0.041 29.800 29.700 0.235 0.000 0.752 680 E HN 0.401 nan 8.360 nan 0.000 0.466 681 L N 0.190 121.309 121.223 -0.174 0.000 2.209 681 L HA -0.044 4.302 4.340 0.010 0.000 0.207 681 L C 2.282 179.064 176.870 -0.146 0.000 1.094 681 L CA 0.374 55.052 54.840 -0.270 0.000 0.790 681 L CB -0.214 41.690 42.059 -0.258 0.000 0.932 681 L HN 0.126 nan 8.230 nan 0.000 0.447 682 L N 0.057 121.210 121.223 -0.117 0.000 2.191 682 L HA -0.177 4.169 4.340 0.010 0.000 0.212 682 L C 2.397 179.240 176.870 -0.045 0.000 1.103 682 L CA 1.208 55.997 54.840 -0.084 0.000 0.769 682 L CB -0.395 41.611 42.059 -0.089 0.000 0.908 682 L HN 0.215 nan 8.230 nan 0.000 0.438 683 K N 0.248 120.633 120.400 -0.025 0.000 2.288 683 K HA 0.030 4.357 4.320 0.010 0.000 0.201 683 K C 0.611 177.217 176.600 0.010 0.000 1.048 683 K CA 0.461 56.749 56.287 0.003 0.000 0.956 683 K CB -0.031 32.486 32.500 0.029 0.000 0.746 683 K HN 0.258 nan 8.250 nan 0.000 0.461 684 I N 2.875 123.446 120.570 0.001 0.000 2.517 684 I HA -0.035 4.141 4.170 0.010 0.000 0.285 684 I C 0.657 176.776 176.117 0.004 0.000 1.106 684 I CA -0.133 61.176 61.300 0.014 0.000 1.402 684 I CB 0.354 38.356 38.000 0.003 0.000 1.399 684 I HN 0.199 nan 8.210 nan 0.000 0.535 685 E N 5.384 125.594 120.200 0.016 0.000 2.238 685 E HA 0.403 4.759 4.350 0.010 0.000 0.264 685 E C 1.020 177.626 176.600 0.010 0.000 1.136 685 E CA 0.372 56.779 56.400 0.011 0.000 0.929 685 E CB 0.247 29.957 29.700 0.017 0.000 1.010 685 E HN 1.014 nan 8.360 nan 0.000 0.440 686 G N 1.683 110.484 108.800 0.001 0.000 2.705 686 G HA2 -0.106 3.860 3.960 0.010 0.000 0.193 686 G HA3 -0.106 3.860 3.960 0.010 0.000 0.193 686 G C 0.094 174.988 174.900 -0.009 0.000 1.015 686 G CA -0.142 44.959 45.100 0.001 0.000 0.743 686 G HN 0.693 nan 8.290 nan 0.000 0.476 687 I N 2.740 123.298 120.570 -0.020 0.000 2.321 687 I HA 0.650 4.827 4.170 0.010 0.000 0.291 687 I C 0.979 177.072 176.117 -0.041 0.000 0.998 687 I CA 0.025 61.303 61.300 -0.036 0.000 1.227 687 I CB 1.433 39.397 38.000 -0.059 0.000 1.368 687 I HN 0.266 nan 8.210 nan 0.000 0.466 688 G N 4.127 112.904 108.800 -0.038 0.000 2.601 688 G HA2 0.494 4.460 3.960 0.010 0.000 0.317 688 G HA3 0.494 4.460 3.960 0.010 0.000 0.317 688 G C 0.862 175.729 174.900 -0.055 0.000 1.246 688 G CA -0.605 44.471 45.100 -0.040 0.000 1.012 688 G HN 0.346 nan 8.290 nan 0.000 0.494 689 V N 0.971 120.852 119.914 -0.056 0.000 2.252 689 V HA -0.193 3.933 4.120 0.010 0.000 0.249 689 V C 3.490 179.549 176.094 -0.058 0.000 1.056 689 V CA 3.336 65.594 62.300 -0.069 0.000 1.022 689 V CB -1.200 30.589 31.823 -0.057 0.000 0.641 689 V HN 0.910 nan 8.190 nan 0.000 0.445 690 K N -0.600 119.779 120.400 -0.035 0.000 2.152 690 K HA -0.264 4.062 4.320 0.010 0.000 0.206 690 K C 2.072 178.663 176.600 -0.015 0.000 1.048 690 K CA 2.303 58.578 56.287 -0.020 0.000 0.933 690 K CB -1.448 31.046 32.500 -0.010 0.000 0.721 690 K HN 0.625 nan 8.250 nan 0.000 0.447 691 T N 0.205 114.745 114.554 -0.024 0.000 2.770 691 T HA -0.055 4.301 4.350 0.010 0.000 0.263 691 T C 2.129 176.823 174.700 -0.010 0.000 1.039 691 T CA 1.248 63.337 62.100 -0.018 0.000 1.142 691 T CB -0.113 68.740 68.868 -0.026 0.000 0.868 691 T HN 0.202 nan 8.240 nan 0.000 0.435 692 V N 1.887 121.770 119.914 -0.050 0.000 2.407 692 V HA -0.132 3.994 4.120 0.010 0.000 0.248 692 V C 2.645 178.715 176.094 -0.041 0.000 1.055 692 V CA 1.468 63.717 62.300 -0.084 0.000 1.049 692 V CB -0.514 31.155 31.823 -0.256 0.000 0.662 692 V HN 0.474 nan 8.190 nan 0.000 0.455 693 E N 0.473 120.645 120.200 -0.048 0.000 2.051 693 E HA -0.215 4.141 4.350 0.010 0.000 0.192 693 E C 2.375 179.031 176.600 0.094 0.000 0.991 693 E CA 1.589 57.992 56.400 0.005 0.000 0.799 693 E CB -0.349 29.346 29.700 -0.008 0.000 0.748 693 E HN 0.589 nan 8.360 nan 0.000 0.449 694 A N 1.131 123.997 122.820 0.077 0.000 1.930 694 A HA -0.107 4.219 4.320 0.010 0.000 0.217 694 A C 2.241 179.920 177.584 0.157 0.000 1.175 694 A CA 0.814 52.910 52.037 0.097 0.000 0.627 694 A CB -0.489 18.540 19.000 0.048 0.000 0.815 694 A HN 0.123 nan 8.150 nan 0.000 0.443 695 I N -1.899 118.772 120.570 0.168 0.000 2.202 695 I HA -0.194 3.982 4.170 0.010 0.000 0.242 695 I C 2.125 178.436 176.117 0.322 0.000 1.091 695 I CA 1.198 62.630 61.300 0.220 0.000 1.368 695 I CB -0.308 37.811 38.000 0.198 0.000 1.058 695 I HN 0.269 nan 8.210 nan 0.000 0.410 696 F N 1.279 121.264 119.950 0.059 0.000 2.234 696 F HA -0.166 4.367 4.527 0.010 0.000 0.299 696 F C 2.499 178.336 175.800 0.060 0.000 1.087 696 F CA 1.269 59.299 58.000 0.050 0.000 1.340 696 F CB -0.560 38.451 39.000 0.019 0.000 1.031 696 F HN -0.010 nan 8.300 nan 0.000 0.500 697 K N -0.121 120.426 120.400 0.246 0.000 2.001 697 K HA -0.227 4.100 4.320 0.010 0.000 0.208 697 K C 2.313 178.994 176.600 0.135 0.000 1.048 697 K CA 1.474 57.854 56.287 0.155 0.000 0.932 697 K CB -0.735 31.847 32.500 0.137 0.000 0.715 697 K HN 0.194 nan 8.250 nan 0.000 0.437 698 F N 2.072 122.042 119.950 0.032 0.000 2.120 698 F HA -0.186 4.348 4.527 0.011 0.000 0.300 698 F C 1.619 177.408 175.800 -0.017 0.000 1.095 698 F CA 1.536 59.541 58.000 0.007 0.000 1.249 698 F CB -0.079 38.926 39.000 0.008 0.000 0.995 698 F HN 0.008 nan 8.300 nan 0.000 0.480 699 L N -0.332 120.884 121.223 -0.010 0.000 2.492 699 L HA 0.270 4.617 4.340 0.010 0.000 0.223 699 L C 1.099 177.869 176.870 -0.166 0.000 1.132 699 L CA 0.333 55.078 54.840 -0.158 0.000 0.850 699 L CB -1.137 40.857 42.059 -0.109 0.000 0.966 699 L HN 0.444 nan 8.230 nan 0.000 0.454 700 G N 0.000 108.738 108.800 -0.103 0.000 5.446 700 G HA2 0.000 3.966 3.960 0.010 0.000 0.244 700 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 700 G CA 0.000 45.057 45.100 -0.072 0.000 0.502 700 G HN 0.000 nan 8.290 nan 0.000 0.925