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 2zj5_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 SXXXXXPAFR 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 FDDPYXXXXX XXXERKFFRA FKTALVLLAW INEVPEGEIV EKYSVEPGDI DATA SEQUENCE YRIVETAEWL VYSLKEIAKV LGAYEIVDYL ETLRVRVKYG IREELIPLMQ DATA SEQUENCE LPLVGRRRAR ALYNSGFRSI EDISQARPEE LLKIEXXXXX XVEAIFKFL 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 0.000 176.266 176.300 -0.057 0.000 1.140 1 M CA 0.000 55.327 55.300 0.045 0.000 0.988 1 M CB 0.000 32.703 32.600 0.171 0.000 1.302 2 R N 2.096 122.539 120.500 -0.094 0.000 2.357 2 R HA 0.622 4.974 4.340 0.019 0.000 0.296 2 R C 0.413 176.524 176.300 -0.315 0.000 1.052 2 R CA 0.092 56.074 56.100 -0.198 0.000 0.988 2 R CB 0.124 30.354 30.300 -0.116 0.000 1.025 2 R HN 0.729 nan 8.270 nan 0.000 0.469 3 V N 1.327 120.945 119.914 -0.494 0.000 2.380 3 V HA -0.284 3.848 4.120 0.019 0.000 0.251 3 V C 1.638 177.619 176.094 -0.189 0.000 1.063 3 V CA 2.269 64.259 62.300 -0.517 0.000 1.055 3 V CB -0.235 31.338 31.823 -0.416 0.000 0.657 3 V HN 0.898 nan 8.190 nan 0.000 0.455 4 D N -0.452 119.868 120.400 -0.133 0.000 2.269 4 D HA -0.100 4.552 4.640 0.019 0.000 0.208 4 D C 2.049 178.329 176.300 -0.033 0.000 0.963 4 D CA 0.698 54.660 54.000 -0.062 0.000 0.864 4 D CB -0.041 40.726 40.800 -0.056 0.000 0.936 4 D HN 0.585 nan 8.370 nan 0.000 0.505 5 E N 0.142 120.320 120.200 -0.036 0.000 2.482 5 E HA -0.049 4.312 4.350 0.019 0.000 0.196 5 E C 0.572 177.190 176.600 0.030 0.000 1.047 5 E CA -0.213 56.185 56.400 -0.004 0.000 0.869 5 E CB 0.279 29.977 29.700 -0.005 0.000 0.836 5 E HN 0.107 nan 8.360 nan 0.000 0.520 6 L N 0.833 122.092 121.223 0.061 0.000 2.395 6 L HA 0.200 4.551 4.340 0.019 0.000 0.269 6 L C 0.604 177.491 176.870 0.028 0.000 1.133 6 L CA 0.349 55.245 54.840 0.092 0.000 0.812 6 L CB 0.734 42.926 42.059 0.222 0.000 1.125 6 L HN -0.178 nan 8.230 nan 0.000 0.452 7 R N 5.275 125.769 120.500 -0.011 0.000 4.071 7 R HA 0.575 4.926 4.340 0.019 0.000 0.220 7 R C -0.817 175.443 176.300 -0.067 0.000 1.614 7 R CA 0.329 56.412 56.100 -0.030 0.000 1.505 7 R CB -1.134 29.145 30.300 -0.035 0.000 1.384 7 R HN 0.712 nan 8.270 nan 0.000 0.758 8 V N -2.626 117.273 119.914 -0.024 0.000 3.049 8 V HA 0.491 4.623 4.120 0.019 0.000 0.309 8 V C -0.377 175.752 176.094 0.059 0.000 1.148 8 V CA -1.508 60.789 62.300 -0.005 0.000 0.990 8 V CB 2.287 34.086 31.823 -0.040 0.000 1.039 8 V HN 0.516 nan 8.190 nan 0.000 0.430 9 D N 2.183 122.641 120.400 0.097 0.000 2.730 9 D HA -0.092 4.559 4.640 0.019 0.000 0.225 9 D C 1.177 177.523 176.300 0.076 0.000 1.107 9 D CA 0.640 54.689 54.000 0.082 0.000 0.837 9 D CB 1.122 41.973 40.800 0.086 0.000 1.171 9 D HN 0.750 nan 8.370 nan 0.000 0.498 10 E N 3.833 124.067 120.200 0.055 0.000 2.219 10 E HA -0.219 4.142 4.350 0.019 0.000 0.198 10 E C 1.822 178.460 176.600 0.063 0.000 0.998 10 E CA 0.872 57.299 56.400 0.046 0.000 0.818 10 E CB -0.036 29.682 29.700 0.029 0.000 0.741 10 E HN 0.543 nan 8.360 nan 0.000 0.477 11 R N -0.095 120.454 120.500 0.081 0.000 2.285 11 R HA 0.007 4.359 4.340 0.019 0.000 0.213 11 R C 2.246 178.663 176.300 0.195 0.000 1.068 11 R CA 0.504 56.671 56.100 0.112 0.000 1.004 11 R CB -0.049 30.317 30.300 0.110 0.000 0.873 11 R HN 0.224 nan 8.270 nan 0.000 0.467 12 I N 0.336 121.027 120.570 0.201 0.000 2.429 12 I HA -0.171 4.010 4.170 0.019 0.000 0.247 12 I C 1.884 178.113 176.117 0.186 0.000 1.099 12 I CA 0.906 62.392 61.300 0.310 0.000 1.422 12 I CB -0.062 38.086 38.000 0.248 0.000 1.112 12 I HN 0.011 nan 8.210 nan 0.000 0.430 13 K N 0.450 120.915 120.400 0.108 0.000 2.103 13 K HA -0.190 4.142 4.320 0.019 0.000 0.207 13 K C 2.289 178.889 176.600 0.001 0.000 1.048 13 K CA 1.773 58.084 56.287 0.040 0.000 0.930 13 K CB -0.329 32.181 32.500 0.017 0.000 0.716 13 K HN 0.213 nan 8.250 nan 0.000 0.444 14 S N 0.597 116.303 115.700 0.010 0.000 2.356 14 S HA -0.149 4.333 4.470 0.019 0.000 0.223 14 S C 1.972 176.537 174.600 -0.058 0.000 1.032 14 S CA 1.946 60.134 58.200 -0.020 0.000 1.005 14 S CB -0.418 62.779 63.200 -0.005 0.000 0.867 14 S HN 0.285 nan 8.310 nan 0.000 0.449 15 T N 3.565 118.075 114.554 -0.073 0.000 2.684 15 T HA -0.044 4.318 4.350 0.019 0.000 0.267 15 T C 1.789 176.368 174.700 -0.201 0.000 1.036 15 T CA 1.351 63.322 62.100 -0.215 0.000 1.148 15 T CB -0.439 68.151 68.868 -0.463 0.000 0.863 15 T HN 0.194 nan 8.240 nan 0.000 0.436 16 L N 1.305 122.460 121.223 -0.113 0.000 1.970 16 L HA -0.109 4.243 4.340 0.019 0.000 0.212 16 L C 2.442 179.253 176.870 -0.099 0.000 1.071 16 L CA 1.965 56.755 54.840 -0.083 0.000 0.751 16 L CB -1.161 40.882 42.059 -0.026 0.000 0.889 16 L HN 0.339 nan 8.230 nan 0.000 0.432 17 K N -0.474 119.870 120.400 -0.093 0.000 2.074 17 K HA -0.205 4.126 4.320 0.019 0.000 0.209 17 K C 1.854 178.404 176.600 -0.083 0.000 1.048 17 K CA 1.189 57.422 56.287 -0.090 0.000 0.926 17 K CB -0.116 32.339 32.500 -0.076 0.000 0.713 17 K HN 0.327 nan 8.250 nan 0.000 0.444 18 E N 0.560 120.706 120.200 -0.090 0.000 2.204 18 E HA -0.152 4.210 4.350 0.019 0.000 0.195 18 E C 1.739 178.285 176.600 -0.090 0.000 0.990 18 E CA 0.861 57.209 56.400 -0.088 0.000 0.821 18 E CB 0.042 29.681 29.700 -0.102 0.000 0.750 18 E HN 0.263 nan 8.360 nan 0.000 0.477 19 R N -0.921 119.518 120.500 -0.102 0.000 2.313 19 R HA 0.005 4.357 4.340 0.019 0.000 0.199 19 R C 1.324 177.587 176.300 -0.062 0.000 0.958 19 R CA 0.571 56.618 56.100 -0.088 0.000 1.047 19 R CB 0.353 30.594 30.300 -0.099 0.000 0.955 19 R HN 0.262 nan 8.270 nan 0.000 0.481 20 G N 0.847 109.608 108.800 -0.066 0.000 2.213 20 G HA2 -0.253 3.719 3.960 0.019 0.000 0.236 20 G HA3 -0.253 3.719 3.960 0.019 0.000 0.236 20 G C 0.265 175.123 174.900 -0.069 0.000 0.991 20 G CA -0.345 44.721 45.100 -0.057 0.000 0.629 20 G HN 0.209 nan 8.290 nan 0.000 0.517 21 I N 1.786 122.306 120.570 -0.084 0.000 2.517 21 I HA 0.502 4.684 4.170 0.019 0.000 0.285 21 I C 1.419 177.437 176.117 -0.166 0.000 1.106 21 I CA 0.968 62.196 61.300 -0.120 0.000 1.402 21 I CB 0.947 38.882 38.000 -0.109 0.000 1.399 21 I HN 0.404 nan 8.210 nan 0.000 0.535 22 E N 4.326 124.415 120.200 -0.184 0.000 2.421 22 E HA 0.144 4.506 4.350 0.019 0.000 0.209 22 E C 0.578 177.006 176.600 -0.286 0.000 0.871 22 E CA 0.507 56.788 56.400 -0.198 0.000 1.064 22 E CB 0.725 30.349 29.700 -0.125 0.000 1.075 22 E HN 0.703 nan 8.360 nan 0.000 0.513 23 S N -0.861 114.661 115.700 -0.297 0.000 2.540 23 S HA 0.727 5.208 4.470 0.019 0.000 0.275 23 S C -0.656 173.752 174.600 -0.319 0.000 1.123 23 S CA -0.800 57.200 58.200 -0.332 0.000 0.907 23 S CB 0.696 63.806 63.200 -0.150 0.000 1.081 23 S HN 0.235 nan 8.310 nan 0.000 0.476 24 F N 1.737 121.595 119.950 -0.153 0.000 2.443 24 F HA 0.330 4.866 4.527 0.015 0.000 0.353 24 F C 0.557 176.254 175.800 -0.171 0.000 1.101 24 F CA -0.873 57.005 58.000 -0.203 0.000 1.226 24 F CB 0.588 39.512 39.000 -0.127 0.000 1.140 24 F HN 0.588 nan 8.300 nan 0.000 0.557 25 Y N 3.317 123.667 120.300 0.084 0.000 2.457 25 Y HA -0.003 4.560 4.550 0.022 0.000 0.341 25 Y C -1.335 174.334 175.900 -0.384 0.000 1.240 25 Y CA -1.723 56.230 58.100 -0.245 0.000 1.437 25 Y CB 0.023 38.421 38.460 -0.103 0.000 1.328 25 Y HN 0.439 nan 8.280 nan 0.000 0.588 26 P HA -0.188 nan 4.420 nan 0.000 0.216 26 P C -1.526 175.626 177.300 -0.247 0.000 1.154 26 P CA 1.904 64.722 63.100 -0.470 0.000 0.865 26 P CB -0.769 30.444 31.700 -0.813 0.000 0.789 27 P HA -0.147 nan 4.420 nan 0.000 0.216 27 P C 1.631 178.917 177.300 -0.023 0.000 1.153 27 P CA 1.551 64.638 63.100 -0.021 0.000 0.848 27 P CB -0.495 31.268 31.700 0.106 0.000 0.787 28 Q N -0.620 119.176 119.800 -0.008 0.000 2.084 28 Q HA -0.141 4.211 4.340 0.019 0.000 0.202 28 Q C 2.232 178.116 176.000 -0.194 0.000 0.978 28 Q CA 1.675 57.419 55.803 -0.098 0.000 0.844 28 Q CB -0.757 27.915 28.738 -0.110 0.000 0.898 28 Q HN 0.176 nan 8.270 nan 0.000 0.426 29 A N 1.194 123.938 122.820 -0.126 0.000 1.902 29 A HA -0.258 4.074 4.320 0.019 0.000 0.217 29 A C 1.945 179.472 177.584 -0.095 0.000 1.181 29 A CA 1.578 53.555 52.037 -0.101 0.000 0.623 29 A CB -0.531 18.448 19.000 -0.035 0.000 0.818 29 A HN 0.415 nan 8.150 nan 0.000 0.443 30 E N -0.202 119.951 120.200 -0.079 0.000 2.058 30 E HA -0.163 4.199 4.350 0.019 0.000 0.194 30 E C 2.174 178.737 176.600 -0.063 0.000 0.997 30 E CA 1.090 57.454 56.400 -0.059 0.000 0.801 30 E CB -0.241 29.433 29.700 -0.042 0.000 0.746 30 E HN 0.546 nan 8.360 nan 0.000 0.450 31 A N 0.862 123.637 122.820 -0.074 0.000 1.902 31 A HA -0.122 4.209 4.320 0.019 0.000 0.217 31 A C 2.125 179.649 177.584 -0.100 0.000 1.181 31 A CA 0.980 52.972 52.037 -0.074 0.000 0.623 31 A CB -0.545 18.414 19.000 -0.069 0.000 0.818 31 A HN 0.300 nan 8.150 nan 0.000 0.443 32 L N -1.485 119.648 121.223 -0.150 0.000 2.551 32 L HA -0.029 4.323 4.340 0.019 0.000 0.228 32 L C 1.645 178.447 176.870 -0.114 0.000 1.153 32 L CA 0.939 55.676 54.840 -0.170 0.000 0.851 32 L CB -0.092 41.797 42.059 -0.283 0.000 0.959 32 L HN 0.304 nan 8.230 nan 0.000 0.451 33 K N -1.311 119.039 120.400 -0.084 0.000 2.402 33 K HA 0.089 4.421 4.320 0.019 0.000 0.204 33 K C 1.804 178.377 176.600 -0.045 0.000 1.056 33 K CA 0.301 56.553 56.287 -0.058 0.000 1.069 33 K CB 0.639 33.112 32.500 -0.045 0.000 0.888 33 K HN 0.157 nan 8.250 nan 0.000 0.546 34 S N -0.625 115.046 115.700 -0.048 0.000 2.496 34 S HA 0.090 4.571 4.470 0.019 0.000 0.224 34 S C 1.447 176.028 174.600 -0.031 0.000 0.996 34 S CA 0.657 58.836 58.200 -0.036 0.000 0.927 34 S CB 0.331 63.509 63.200 -0.036 0.000 0.774 34 S HN 0.339 nan 8.310 nan 0.000 0.524 35 G N 1.499 110.279 108.800 -0.034 0.000 2.273 35 G HA2 -0.184 3.787 3.960 0.019 0.000 0.162 35 G HA3 -0.184 3.787 3.960 0.019 0.000 0.162 35 G C 0.629 175.516 174.900 -0.021 0.000 1.006 35 G CA -0.039 45.046 45.100 -0.024 0.000 0.704 35 G HN 0.696 nan 8.290 nan 0.000 0.487 36 I N -1.050 119.502 120.570 -0.030 0.000 2.394 36 I HA 0.161 4.343 4.170 0.019 0.000 0.251 36 I C 2.344 178.466 176.117 0.008 0.000 1.136 36 I CA 0.892 62.179 61.300 -0.022 0.000 1.425 36 I CB -0.387 37.591 38.000 -0.037 0.000 1.079 36 I HN 0.153 nan 8.210 nan 0.000 0.425 37 L N 0.770 121.990 121.223 -0.005 0.000 2.291 37 L HA -0.051 4.300 4.340 0.019 0.000 0.214 37 L C 1.265 178.223 176.870 0.147 0.000 1.120 37 L CA 0.944 55.809 54.840 0.041 0.000 0.799 37 L CB -0.431 41.533 42.059 -0.159 0.000 0.925 37 L HN 0.248 nan 8.230 nan 0.000 0.446 38 E N -0.170 120.067 120.200 0.061 0.000 2.423 38 E HA 0.213 4.575 4.350 0.019 0.000 0.198 38 E C 1.209 177.823 176.600 0.023 0.000 1.038 38 E CA 0.498 56.928 56.400 0.051 0.000 1.011 38 E CB 0.367 30.081 29.700 0.023 0.000 1.118 38 E HN 0.309 nan 8.360 nan 0.000 0.451 39 G N 0.652 109.465 108.800 0.021 0.000 2.253 39 G HA2 -0.367 3.605 3.960 0.019 0.000 0.251 39 G HA3 -0.367 3.605 3.960 0.019 0.000 0.251 39 G C 0.351 175.239 174.900 -0.019 0.000 0.998 39 G CA 0.140 45.237 45.100 -0.005 0.000 0.621 39 G HN 0.307 nan 8.290 nan 0.000 0.524 40 K N 1.166 121.554 120.400 -0.019 0.000 2.414 40 K HA 0.217 4.549 4.320 0.019 0.000 0.272 40 K C 0.298 176.871 176.600 -0.045 0.000 0.993 40 K CA -0.249 56.018 56.287 -0.033 0.000 0.964 40 K CB 0.221 32.704 32.500 -0.029 0.000 0.925 40 K HN 0.254 nan 8.250 nan 0.000 0.487 41 N N 0.556 119.218 118.700 -0.063 0.000 2.444 41 N HA 0.340 5.091 4.740 0.019 0.000 0.255 41 N C -0.731 174.735 175.510 -0.074 0.000 1.255 41 N CA -0.061 52.940 53.050 -0.082 0.000 0.933 41 N CB 1.214 39.630 38.487 -0.119 0.000 1.143 41 N HN 0.652 nan 8.380 nan 0.000 0.453 42 A N 0.477 123.252 122.820 -0.075 0.000 2.574 42 A HA 0.563 4.894 4.320 0.019 0.000 0.297 42 A C -1.753 175.793 177.584 -0.062 0.000 1.062 42 A CA -0.593 51.407 52.037 -0.061 0.000 0.686 42 A CB 1.137 20.110 19.000 -0.046 0.000 1.285 42 A HN 0.467 nan 8.150 nan 0.000 0.403 43 L N 2.315 123.508 121.223 -0.050 0.000 2.319 43 L HA 0.711 5.063 4.340 0.019 0.000 0.281 43 L C -1.252 175.607 176.870 -0.019 0.000 1.005 43 L CA -0.280 54.536 54.840 -0.041 0.000 0.828 43 L CB 0.749 42.781 42.059 -0.044 0.000 1.227 43 L HN 0.535 nan 8.230 nan 0.000 0.415 44 I N 4.041 124.607 120.570 -0.006 0.000 2.330 44 I HA 0.286 4.468 4.170 0.019 0.000 0.286 44 I C 0.085 176.216 176.117 0.023 0.000 1.025 44 I CA -0.196 61.110 61.300 0.010 0.000 1.197 44 I CB 1.379 39.389 38.000 0.018 0.000 1.358 44 I HN 0.600 nan 8.210 nan 0.000 0.467 45 S N 8.524 124.236 115.700 0.020 0.000 2.505 45 S HA 0.682 5.163 4.470 0.019 0.000 0.280 45 S C -0.425 174.194 174.600 0.032 0.000 1.197 45 S CA -0.504 57.707 58.200 0.019 0.000 1.138 45 S CB -0.161 63.042 63.200 0.005 0.000 1.010 45 S HN 0.540 nan 8.310 nan 0.000 0.480 46 I N 0.711 121.309 120.570 0.045 0.000 3.195 46 I HA 0.707 4.889 4.170 0.019 0.000 0.313 46 I C -3.045 173.111 176.117 0.064 0.000 1.237 46 I CA -3.226 58.114 61.300 0.067 0.000 0.963 46 I CB 1.603 39.663 38.000 0.100 0.000 1.278 46 I HN 0.181 nan 8.210 nan 0.000 0.460 47 P HA 0.087 nan 4.420 nan 0.000 0.266 47 P C 0.781 178.128 177.300 0.078 0.000 1.195 47 P CA 0.010 63.138 63.100 0.047 0.000 0.768 47 P CB 0.653 32.365 31.700 0.021 0.000 0.838 48 T N -0.232 114.364 114.554 0.069 0.000 2.833 48 T HA -0.190 4.172 4.350 0.019 0.000 0.269 48 T C 1.685 176.458 174.700 0.122 0.000 1.054 48 T CA 1.155 63.315 62.100 0.100 0.000 1.135 48 T CB -1.001 67.921 68.868 0.090 0.000 0.869 48 T HN 0.336 nan 8.240 nan 0.000 0.466 49 A N 1.259 124.133 122.820 0.090 0.000 2.178 49 A HA 0.102 4.434 4.320 0.019 0.000 0.218 49 A C 2.204 179.868 177.584 0.134 0.000 1.157 49 A CA 1.201 53.292 52.037 0.089 0.000 0.689 49 A CB -0.649 18.359 19.000 0.013 0.000 0.787 49 A HN 0.512 nan 8.150 nan 0.000 0.465 50 S N -0.293 115.509 115.700 0.170 0.000 2.602 50 S HA 0.403 4.884 4.470 0.019 0.000 0.246 50 S C 0.964 175.832 174.600 0.447 0.000 1.009 50 S CA 0.280 58.661 58.200 0.302 0.000 1.052 50 S CB -0.440 62.927 63.200 0.278 0.000 0.778 50 S HN 1.412 nan 8.310 nan 0.000 0.455 51 G N 2.325 111.352 108.800 0.378 0.000 2.370 51 G HA2 -0.299 3.673 3.960 0.019 0.000 0.293 51 G HA3 -0.299 3.673 3.960 0.019 0.000 0.293 51 G C 0.679 175.701 174.900 0.204 0.000 0.992 51 G CA 0.426 45.696 45.100 0.284 0.000 1.247 51 G HN 0.485 nan 8.290 nan 0.000 0.505 52 K N -0.741 119.769 120.400 0.182 0.000 2.025 52 K HA -0.065 4.267 4.320 0.019 0.000 0.207 52 K C 2.811 179.514 176.600 0.171 0.000 1.049 52 K CA 1.762 58.140 56.287 0.152 0.000 0.933 52 K CB -0.158 32.428 32.500 0.142 0.000 0.714 52 K HN 0.422 nan 8.250 nan 0.000 0.438 53 T N 2.078 116.760 114.554 0.213 0.000 2.684 53 T HA -0.169 4.192 4.350 0.019 0.000 0.267 53 T C 1.686 176.532 174.700 0.243 0.000 1.036 53 T CA 1.174 63.439 62.100 0.275 0.000 1.148 53 T CB -0.264 68.762 68.868 0.263 0.000 0.863 53 T HN 0.077 nan 8.240 nan 0.000 0.436 54 L N 1.156 122.498 121.223 0.199 0.000 2.051 54 L HA -0.086 4.266 4.340 0.019 0.000 0.214 54 L C 2.136 179.073 176.870 0.111 0.000 1.076 54 L CA 1.618 56.564 54.840 0.178 0.000 0.758 54 L CB -0.675 41.475 42.059 0.151 0.000 0.890 54 L HN 0.330 nan 8.230 nan 0.000 0.433 55 I N -0.891 119.711 120.570 0.053 0.000 2.361 55 I HA -0.282 3.899 4.170 0.019 0.000 0.251 55 I C 2.484 178.611 176.117 0.015 0.000 1.133 55 I CA 1.087 62.371 61.300 -0.027 0.000 1.413 55 I CB -0.627 37.350 38.000 -0.038 0.000 1.073 55 I HN 0.362 nan 8.210 nan 0.000 0.424 56 A N 0.454 123.331 122.820 0.094 0.000 1.929 56 A HA -0.150 4.182 4.320 0.019 0.000 0.216 56 A C 2.210 179.828 177.584 0.057 0.000 1.176 56 A CA 1.162 53.269 52.037 0.117 0.000 0.628 56 A CB -0.405 18.761 19.000 0.275 0.000 0.816 56 A HN 0.396 nan 8.150 nan 0.000 0.444 57 E N -0.083 120.159 120.200 0.070 0.000 2.051 57 E HA -0.169 4.193 4.350 0.019 0.000 0.192 57 E C 1.879 178.395 176.600 -0.141 0.000 0.991 57 E CA 1.343 57.702 56.400 -0.068 0.000 0.799 57 E CB -0.331 29.499 29.700 0.218 0.000 0.748 57 E HN 0.680 nan 8.360 nan 0.000 0.449 58 I N 1.159 121.732 120.570 0.005 0.000 2.226 58 I HA -0.262 3.919 4.170 0.019 0.000 0.245 58 I C 2.541 178.626 176.117 -0.053 0.000 1.100 58 I CA 0.983 62.278 61.300 -0.008 0.000 1.374 58 I CB -0.283 37.723 38.000 0.010 0.000 1.057 58 I HN 0.079 nan 8.210 nan 0.000 0.413 59 A N 0.342 123.133 122.820 -0.048 0.000 1.968 59 A HA -0.145 4.187 4.320 0.019 0.000 0.217 59 A C 2.349 179.905 177.584 -0.047 0.000 1.169 59 A CA 1.230 53.256 52.037 -0.018 0.000 0.638 59 A CB -0.398 18.590 19.000 -0.020 0.000 0.812 59 A HN 0.303 nan 8.150 nan 0.000 0.446 60 M N -0.886 118.639 119.600 -0.126 0.000 2.098 60 M HA -0.104 4.388 4.480 0.019 0.000 0.262 60 M C 2.115 178.254 176.300 -0.269 0.000 1.072 60 M CA 1.367 56.553 55.300 -0.190 0.000 1.133 60 M CB -0.438 32.008 32.600 -0.256 0.000 1.344 60 M HN 0.227 nan 8.290 nan 0.000 0.414 61 V N -0.342 119.321 119.914 -0.419 0.000 2.407 61 V HA -0.285 3.847 4.120 0.019 0.000 0.248 61 V C 2.289 178.250 176.094 -0.222 0.000 1.055 61 V CA 2.284 64.291 62.300 -0.489 0.000 1.049 61 V CB -1.073 30.194 31.823 -0.926 0.000 0.662 61 V HN 0.507 nan 8.190 nan 0.000 0.455 62 H N 0.611 119.557 119.070 -0.208 0.000 2.389 62 H HA -0.138 4.429 4.556 0.018 0.000 0.299 62 H C 2.280 177.547 175.328 -0.102 0.000 1.081 62 H CA 2.032 58.009 56.048 -0.119 0.000 1.345 62 H CB -0.046 29.667 29.762 -0.083 0.000 1.393 62 H HN 0.245 nan 8.280 nan 0.000 0.520 63 R N 0.536 120.911 120.500 -0.209 0.000 2.081 63 R HA -0.020 4.332 4.340 0.019 0.000 0.235 63 R C 2.226 178.402 176.300 -0.207 0.000 1.131 63 R CA 1.837 57.797 56.100 -0.232 0.000 0.960 63 R CB -0.755 29.470 30.300 -0.125 0.000 0.856 63 R HN 0.514 nan 8.270 nan 0.000 0.436 64 I N -0.020 120.441 120.570 -0.180 0.000 2.163 64 I HA -0.254 3.928 4.170 0.019 0.000 0.240 64 I C 2.068 178.105 176.117 -0.134 0.000 1.081 64 I CA 1.143 62.355 61.300 -0.147 0.000 1.353 64 I CB -0.253 37.650 38.000 -0.162 0.000 1.054 64 I HN 0.156 nan 8.210 nan 0.000 0.407 65 L N -0.095 121.042 121.223 -0.143 0.000 2.046 65 L HA -0.194 4.158 4.340 0.019 0.000 0.208 65 L C 2.512 179.316 176.870 -0.109 0.000 1.077 65 L CA 1.595 56.376 54.840 -0.100 0.000 0.747 65 L CB -0.913 41.109 42.059 -0.062 0.000 0.896 65 L HN 0.247 nan 8.230 nan 0.000 0.432 66 T N -1.075 113.365 114.554 -0.190 0.000 3.023 66 T HA -0.085 4.277 4.350 0.019 0.000 0.266 66 T C 1.333 175.944 174.700 -0.147 0.000 1.093 66 T CA 1.007 62.989 62.100 -0.197 0.000 1.129 66 T CB 0.059 68.684 68.868 -0.405 0.000 0.899 66 T HN 0.465 nan 8.240 nan 0.000 0.491 67 Q N -0.647 119.068 119.800 -0.140 0.000 1.988 67 Q HA 0.379 4.731 4.340 0.019 0.000 0.199 67 Q C 0.795 176.754 176.000 -0.068 0.000 0.767 67 Q CA -0.133 55.614 55.803 -0.093 0.000 0.966 67 Q CB 1.461 30.141 28.738 -0.097 0.000 1.219 67 Q HN 0.382 nan 8.270 nan 0.000 0.432 68 G N 0.853 109.610 108.800 -0.072 0.000 2.804 68 G HA2 0.061 4.032 3.960 0.019 0.000 0.230 68 G HA3 0.061 4.032 3.960 0.019 0.000 0.230 68 G C 0.292 175.168 174.900 -0.040 0.000 1.386 68 G CA -0.200 44.870 45.100 -0.050 0.000 0.875 68 G HN 0.979 nan 8.290 nan 0.000 0.557 69 G N -1.504 107.286 108.800 -0.016 0.000 2.549 69 G HA2 0.359 4.331 3.960 0.019 0.000 0.404 69 G HA3 0.359 4.331 3.960 0.019 0.000 0.404 69 G C -0.446 174.458 174.900 0.006 0.000 1.292 69 G CA 0.495 45.600 45.100 0.008 0.000 0.935 69 G HN 1.257 nan 8.290 nan 0.000 0.512 70 K N -0.429 119.994 120.400 0.038 0.000 2.281 70 K HA 0.796 5.128 4.320 0.019 0.000 0.242 70 K C -0.097 176.514 176.600 0.020 0.000 0.971 70 K CA -0.168 56.141 56.287 0.036 0.000 0.834 70 K CB 2.276 34.835 32.500 0.099 0.000 1.181 70 K HN 1.252 nan 8.250 nan 0.000 0.435 71 A N 1.486 124.300 122.820 -0.010 0.000 2.330 71 A HA 0.537 4.868 4.320 0.019 0.000 0.313 71 A C -1.027 176.558 177.584 0.003 0.000 1.124 71 A CA -0.664 51.358 52.037 -0.025 0.000 0.774 71 A CB 1.028 19.975 19.000 -0.088 0.000 1.198 71 A HN 0.376 nan 8.150 nan 0.000 0.465 72 V N 2.581 122.489 119.914 -0.010 0.000 2.435 72 V HA 0.314 4.446 4.120 0.019 0.000 0.290 72 V C -1.072 175.023 176.094 0.002 0.000 1.030 72 V CA -0.296 61.977 62.300 -0.046 0.000 0.881 72 V CB 1.307 32.973 31.823 -0.262 0.000 0.983 72 V HN 0.792 nan 8.190 nan 0.000 0.445 73 Y N 5.740 126.023 120.300 -0.028 0.000 2.464 73 Y HA 0.527 5.090 4.550 0.022 0.000 0.326 73 Y C -0.171 175.739 175.900 0.016 0.000 0.969 73 Y CA -0.922 57.207 58.100 0.047 0.000 1.270 73 Y CB 0.825 39.428 38.460 0.238 0.000 1.103 73 Y HN 0.427 nan 8.280 nan 0.000 0.491 74 I N 7.015 127.431 120.570 -0.257 0.000 2.416 74 I HA 0.187 4.369 4.170 0.019 0.000 0.288 74 I C -0.130 175.897 176.117 -0.151 0.000 1.051 74 I CA -0.337 60.871 61.300 -0.155 0.000 1.375 74 I CB 0.887 38.794 38.000 -0.156 0.000 1.407 74 I HN 0.326 nan 8.210 nan 0.000 0.516 75 V N 9.501 129.420 119.914 0.010 0.000 2.667 75 V HA 0.380 4.512 4.120 0.019 0.000 0.308 75 V C -1.595 174.519 176.094 0.032 0.000 1.048 75 V CA -1.685 60.646 62.300 0.052 0.000 0.928 75 V CB 2.402 34.311 31.823 0.144 0.000 1.004 75 V HN 0.523 nan 8.190 nan 0.000 0.444 76 P HA 0.058 nan 4.420 nan 0.000 0.217 76 P C -0.495 176.829 177.300 0.041 0.000 1.151 76 P CA 1.125 64.236 63.100 0.019 0.000 0.828 76 P CB 0.192 31.895 31.700 0.006 0.000 0.788 77 L N -2.453 118.801 121.223 0.052 0.000 2.393 77 L HA 0.343 4.695 4.340 0.019 0.000 0.260 77 L C 1.317 178.218 176.870 0.051 0.000 1.002 77 L CA -1.066 53.807 54.840 0.055 0.000 0.818 77 L CB 2.048 44.144 42.059 0.060 0.000 1.369 77 L HN -0.388 nan 8.230 nan 0.000 0.412 78 K N 1.074 121.498 120.400 0.039 0.000 2.015 78 K HA -0.247 4.085 4.320 0.019 0.000 0.216 78 K C 1.777 178.393 176.600 0.026 0.000 1.052 78 K CA 2.090 58.390 56.287 0.021 0.000 0.937 78 K CB -0.256 32.244 32.500 -0.000 0.000 0.719 78 K HN 0.791 nan 8.250 nan 0.000 0.446 79 A N 1.186 124.028 122.820 0.037 0.000 2.070 79 A HA -0.111 4.221 4.320 0.019 0.000 0.220 79 A C 1.987 179.601 177.584 0.050 0.000 1.159 79 A CA 1.192 53.254 52.037 0.042 0.000 0.656 79 A CB -0.496 18.537 19.000 0.056 0.000 0.800 79 A HN 0.207 nan 8.150 nan 0.000 0.453 80 L N -1.355 119.903 121.223 0.059 0.000 2.478 80 L HA -0.027 4.324 4.340 0.019 0.000 0.223 80 L C 2.752 179.657 176.870 0.057 0.000 1.140 80 L CA 0.623 55.501 54.840 0.064 0.000 0.842 80 L CB -0.369 41.737 42.059 0.078 0.000 0.953 80 L HN 0.439 nan 8.230 nan 0.000 0.452 81 A N -0.082 122.773 122.820 0.058 0.000 2.016 81 A HA -0.155 4.177 4.320 0.019 0.000 0.217 81 A C 2.155 179.779 177.584 0.066 0.000 1.162 81 A CA 1.110 53.187 52.037 0.066 0.000 0.662 81 A CB -0.119 18.915 19.000 0.056 0.000 0.812 81 A HN 0.295 nan 8.150 nan 0.000 0.450 82 E N 0.161 120.392 120.200 0.051 0.000 2.299 82 E HA 0.015 4.377 4.350 0.019 0.000 0.193 82 E C 1.919 178.577 176.600 0.098 0.000 0.998 82 E CA 1.467 57.916 56.400 0.082 0.000 0.851 82 E CB -0.169 29.554 29.700 0.039 0.000 0.795 82 E HN 0.589 nan 8.360 nan 0.000 0.492 83 E N 1.217 121.439 120.200 0.038 0.000 2.076 83 E HA -0.045 4.317 4.350 0.019 0.000 0.190 83 E C 1.880 178.419 176.600 -0.100 0.000 0.979 83 E CA 1.058 57.458 56.400 -0.000 0.000 0.807 83 E CB -0.584 29.122 29.700 0.009 0.000 0.761 83 E HN 0.010 nan 8.360 nan 0.000 0.454 84 K N -0.789 119.503 120.400 -0.180 0.000 2.155 84 K HA 0.036 4.367 4.320 0.019 0.000 0.203 84 K C 1.919 178.176 176.600 -0.572 0.000 1.052 84 K CA 0.884 56.832 56.287 -0.565 0.000 0.948 84 K CB -0.368 31.789 32.500 -0.572 0.000 0.728 84 K HN 0.451 nan 8.250 nan 0.000 0.448 85 F N 2.619 122.410 119.950 -0.264 0.000 2.186 85 F HA -0.170 4.372 4.527 0.025 0.000 0.299 85 F C 2.266 178.055 175.800 -0.018 0.000 1.090 85 F CA 1.406 59.358 58.000 -0.079 0.000 1.307 85 F CB 0.115 39.107 39.000 -0.014 0.000 1.019 85 F HN -0.016 nan 8.300 nan 0.000 0.489 86 Q N 0.763 120.522 119.800 -0.068 0.000 2.020 86 Q HA -0.190 4.162 4.340 0.019 0.000 0.198 86 Q C 2.083 178.008 176.000 -0.124 0.000 0.974 86 Q CA 1.922 57.660 55.803 -0.110 0.000 0.829 86 Q CB -0.761 27.978 28.738 0.000 0.000 0.894 86 Q HN 0.713 nan 8.270 nan 0.000 0.433 87 E N -0.613 119.516 120.200 -0.118 0.000 2.472 87 E HA -0.075 4.286 4.350 0.019 0.000 0.200 87 E C 1.346 178.022 176.600 0.127 0.000 1.046 87 E CA 0.470 56.838 56.400 -0.054 0.000 0.871 87 E CB -0.311 29.346 29.700 -0.072 0.000 0.806 87 E HN 0.344 nan 8.360 nan 0.000 0.533 88 F N 0.844 120.741 119.950 -0.087 0.000 2.746 88 F HA 0.073 4.616 4.527 0.027 0.000 0.297 88 F C 2.187 177.979 175.800 -0.015 0.000 1.113 88 F CA -0.672 57.360 58.000 0.053 0.000 1.367 88 F CB 0.375 39.394 39.000 0.030 0.000 1.111 88 F HN -0.032 nan 8.300 nan 0.000 0.590 89 Q N 1.239 121.028 119.800 -0.018 0.000 2.062 89 Q HA -0.270 4.082 4.340 0.019 0.000 0.209 89 Q C 1.221 177.182 176.000 -0.065 0.000 0.996 89 Q CA 2.354 58.090 55.803 -0.112 0.000 0.859 89 Q CB -1.054 27.586 28.738 -0.163 0.000 0.920 89 Q HN 0.620 nan 8.270 nan 0.000 0.415 90 D N -1.671 118.638 120.400 -0.153 0.000 2.420 90 D HA -0.169 4.483 4.640 0.019 0.000 0.233 90 D C 1.135 177.280 176.300 -0.260 0.000 1.017 90 D CA 0.494 54.360 54.000 -0.223 0.000 0.951 90 D CB -0.589 40.026 40.800 -0.309 0.000 0.877 90 D HN 0.326 nan 8.370 nan 0.000 0.528 91 W N 0.691 121.967 121.300 -0.040 0.000 2.737 91 W HA 0.176 4.823 4.660 -0.022 0.000 0.262 91 W C 1.813 178.306 176.519 -0.043 0.000 1.282 91 W CA -0.282 57.031 57.345 -0.054 0.000 1.386 91 W CB 0.275 29.676 29.460 -0.098 0.000 1.099 91 W HN -0.002 nan 8.180 nan 0.000 0.621 92 E N 0.528 120.828 120.200 0.165 0.000 2.418 92 E HA -0.135 4.227 4.350 0.019 0.000 0.197 92 E C 1.535 178.173 176.600 0.063 0.000 1.026 92 E CA 0.662 57.121 56.400 0.098 0.000 0.862 92 E CB -0.087 29.651 29.700 0.062 0.000 0.799 92 E HN 0.314 nan 8.360 nan 0.000 0.518 93 K N 0.818 121.245 120.400 0.046 0.000 2.365 93 K HA -0.037 4.295 4.320 0.019 0.000 0.199 93 K C 1.774 178.399 176.600 0.041 0.000 1.045 93 K CA 0.694 56.990 56.287 0.017 0.000 0.962 93 K CB 0.087 32.569 32.500 -0.031 0.000 0.759 93 K HN 0.259 nan 8.250 nan 0.000 0.469 94 I N -4.692 115.933 120.570 0.091 0.000 3.856 94 I HA 0.391 4.573 4.170 0.019 0.000 0.330 94 I C 0.587 176.749 176.117 0.074 0.000 1.546 94 I CA -0.091 61.265 61.300 0.093 0.000 1.132 94 I CB 0.840 38.931 38.000 0.153 0.000 1.157 94 I HN 0.128 nan 8.210 nan 0.000 0.440 95 G N 1.845 110.681 108.800 0.060 0.000 2.213 95 G HA2 -0.214 3.758 3.960 0.019 0.000 0.236 95 G HA3 -0.214 3.758 3.960 0.019 0.000 0.236 95 G C 0.068 174.985 174.900 0.028 0.000 0.991 95 G CA -0.013 45.107 45.100 0.033 0.000 0.629 95 G HN 0.362 nan 8.290 nan 0.000 0.517 96 L N 1.577 122.833 121.223 0.055 0.000 2.361 96 L HA 0.445 4.797 4.340 0.019 0.000 0.278 96 L C 1.112 178.018 176.870 0.060 0.000 1.113 96 L CA -0.526 54.333 54.840 0.032 0.000 0.849 96 L CB 0.648 42.712 42.059 0.007 0.000 1.155 96 L HN 0.113 nan 8.230 nan 0.000 0.452 97 R N 2.553 123.076 120.500 0.039 0.000 2.308 97 R HA 0.458 4.810 4.340 0.019 0.000 0.305 97 R C -0.850 175.623 176.300 0.289 0.000 1.053 97 R CA -0.502 55.657 56.100 0.099 0.000 0.957 97 R CB 1.498 31.712 30.300 -0.142 0.000 1.022 97 R HN 0.344 nan 8.270 nan 0.000 0.461 98 V N 2.825 122.961 119.914 0.369 0.000 2.417 98 V HA 0.553 4.685 4.120 0.019 0.000 0.291 98 V C -0.111 176.265 176.094 0.471 0.000 1.024 98 V CA -0.607 61.905 62.300 0.354 0.000 0.861 98 V CB 1.535 33.474 31.823 0.192 0.000 0.985 98 V HN 0.926 nan 8.190 nan 0.000 0.436 99 A N 5.679 128.618 122.820 0.198 0.000 2.354 99 A HA 0.962 5.293 4.320 0.019 0.000 0.321 99 A C -0.640 176.989 177.584 0.075 0.000 1.125 99 A CA -0.732 51.235 52.037 -0.116 0.000 0.799 99 A CB 1.776 20.215 19.000 -0.935 0.000 1.293 99 A HN 0.855 nan 8.150 nan 0.000 0.452 100 M N 1.876 121.442 119.600 -0.056 0.000 2.197 100 M HA 0.640 5.132 4.480 0.019 0.000 0.301 100 M C -1.041 175.223 176.300 -0.060 0.000 0.987 100 M CA -0.383 54.866 55.300 -0.085 0.000 0.921 100 M CB 1.488 33.849 32.600 -0.398 0.000 1.569 100 M HN 0.910 nan 8.290 nan 0.000 0.431 101 A N 2.973 125.787 122.820 -0.009 0.000 2.335 101 A HA 0.694 5.026 4.320 0.019 0.000 0.304 101 A C 0.073 177.673 177.584 0.027 0.000 1.118 101 A CA -0.376 51.677 52.037 0.026 0.000 0.757 101 A CB 0.764 19.772 19.000 0.013 0.000 1.188 101 A HN 0.879 nan 8.150 nan 0.000 0.460 102 T N -1.114 113.433 114.554 -0.011 0.000 3.262 102 T HA 0.579 4.941 4.350 0.019 0.000 0.300 102 T C 0.549 175.174 174.700 -0.125 0.000 0.959 102 T CA 0.608 62.691 62.100 -0.028 0.000 0.936 102 T CB -0.163 68.683 68.868 -0.036 0.000 1.169 102 T HN 1.838 nan 8.240 nan 0.000 0.532 103 G N 0.147 108.829 108.800 -0.196 0.000 2.578 103 G HA2 0.459 4.431 3.960 0.019 0.000 0.302 103 G HA3 0.459 4.431 3.960 0.019 0.000 0.302 103 G C -1.437 173.205 174.900 -0.430 0.000 1.243 103 G CA 0.099 44.897 45.100 -0.503 0.000 0.843 103 G HN 0.048 nan 8.290 nan 0.000 0.486 104 D N -0.988 119.108 120.400 -0.505 0.000 2.705 104 D HA -0.166 4.486 4.640 0.019 0.000 0.240 104 D C 0.812 177.027 176.300 -0.142 0.000 1.137 104 D CA 0.718 54.553 54.000 -0.273 0.000 0.677 104 D CB -1.038 39.684 40.800 -0.129 0.000 1.049 104 D HN 0.566 nan 8.370 nan 0.000 0.427 105 Y N -0.349 119.882 120.300 -0.115 0.000 2.241 105 Y HA -0.216 4.345 4.550 0.019 0.000 0.286 105 Y C 2.041 178.027 175.900 0.144 0.000 1.166 105 Y CA 0.985 59.062 58.100 -0.038 0.000 1.203 105 Y CB -0.027 38.412 38.460 -0.035 0.000 0.977 105 Y HN 0.118 nan 8.280 nan 0.000 0.529 106 D N 0.772 121.382 120.400 0.350 0.000 3.038 106 D HA 0.068 4.720 4.640 0.019 0.000 0.243 106 D C -0.398 175.892 176.300 -0.017 0.000 1.245 106 D CA -0.044 54.172 54.000 0.362 0.000 0.871 106 D CB -0.224 40.907 40.800 0.550 0.000 1.089 106 D HN 0.137 nan 8.370 nan 0.000 0.464 107 S N -0.743 114.731 115.700 -0.377 0.000 2.579 107 S HA 0.328 4.810 4.470 0.019 0.000 0.272 107 S C 0.311 174.573 174.600 -0.563 0.000 1.141 107 S CA -0.914 57.044 58.200 -0.404 0.000 0.843 107 S CB 1.484 64.638 63.200 -0.076 0.000 1.122 107 S HN 0.149 nan 8.310 nan 0.000 0.468 108 K N 0.140 120.362 120.400 -0.297 0.000 2.358 108 K HA 0.200 4.532 4.320 0.019 0.000 0.197 108 K C -0.792 175.816 176.600 0.013 0.000 1.025 108 K CA -0.043 56.168 56.287 -0.128 0.000 1.104 108 K CB -0.506 31.971 32.500 -0.038 0.000 0.855 108 K HN 0.580 nan 8.250 nan 0.000 0.531 109 D N 2.921 123.339 120.400 0.030 0.000 2.779 109 D HA -0.151 4.500 4.640 0.019 0.000 0.223 109 D C 0.412 176.643 176.300 -0.115 0.000 1.227 109 D CA 0.664 54.614 54.000 -0.082 0.000 0.653 109 D CB -0.302 40.303 40.800 -0.324 0.000 0.973 109 D HN 0.391 nan 8.370 nan 0.000 0.402 110 E N -0.469 119.807 120.200 0.126 0.000 2.333 110 E HA -0.156 4.206 4.350 0.019 0.000 0.198 110 E C 2.002 178.693 176.600 0.152 0.000 1.007 110 E CA 0.592 57.130 56.400 0.228 0.000 0.845 110 E CB -0.176 29.643 29.700 0.199 0.000 0.766 110 E HN 0.792 nan 8.360 nan 0.000 0.507 111 W N -0.000 121.383 121.300 0.138 0.000 2.721 111 W HA -0.028 4.639 4.660 0.012 0.000 0.245 111 W C 0.936 177.500 176.519 0.075 0.000 1.276 111 W CA 0.126 57.530 57.345 0.098 0.000 1.342 111 W CB -0.769 28.742 29.460 0.086 0.000 1.135 111 W HN -0.032 nan 8.180 nan 0.000 0.654 112 L N 1.507 122.281 121.223 -0.749 0.000 2.554 112 L HA 0.162 4.513 4.340 0.019 0.000 0.226 112 L C 2.719 179.165 176.870 -0.707 0.000 1.137 112 L CA 0.745 55.002 54.840 -0.972 0.000 0.863 112 L CB -0.890 40.233 42.059 -1.560 0.000 0.985 112 L HN 0.052 nan 8.230 nan 0.000 0.451 113 G N 1.088 109.619 108.800 -0.448 0.000 2.470 113 G HA2 -0.248 3.724 3.960 0.019 0.000 0.220 113 G HA3 -0.248 3.724 3.960 0.019 0.000 0.220 113 G C 1.388 176.258 174.900 -0.049 0.000 1.121 113 G CA 0.476 45.478 45.100 -0.164 0.000 0.766 113 G HN 0.543 nan 8.290 nan 0.000 0.553 114 K N -0.982 119.417 120.400 -0.001 0.000 2.520 114 K HA 0.286 4.618 4.320 0.019 0.000 0.205 114 K C -0.683 175.752 176.600 -0.276 0.000 1.035 114 K CA -0.412 55.818 56.287 -0.094 0.000 1.188 114 K CB -0.115 32.322 32.500 -0.105 0.000 0.894 114 K HN 0.298 nan 8.250 nan 0.000 0.497 115 Y N 0.220 120.450 120.300 -0.117 0.000 2.562 115 Y HA 0.234 4.802 4.550 0.029 0.000 0.343 115 Y C 0.671 176.505 175.900 -0.110 0.000 1.025 115 Y CA -1.013 57.030 58.100 -0.096 0.000 1.082 115 Y CB 1.871 40.260 38.460 -0.118 0.000 1.264 115 Y HN -0.052 nan 8.280 nan 0.000 0.478 116 D N 0.628 121.080 120.400 0.088 0.000 2.394 116 D HA 0.185 4.836 4.640 0.019 0.000 0.226 116 D C -0.135 176.155 176.300 -0.017 0.000 0.990 116 D CA 1.103 55.104 54.000 0.003 0.000 0.902 116 D CB 1.091 41.871 40.800 -0.034 0.000 1.038 116 D HN 0.298 nan 8.370 nan 0.000 0.499 117 I N 2.085 122.665 120.570 0.016 0.000 2.410 117 I HA 0.302 4.484 4.170 0.019 0.000 0.286 117 I C -0.633 175.518 176.117 0.056 0.000 1.009 117 I CA -0.456 60.840 61.300 -0.008 0.000 1.111 117 I CB 2.248 40.190 38.000 -0.097 0.000 1.262 117 I HN -0.299 nan 8.210 nan 0.000 0.443 118 I N 7.206 127.790 120.570 0.025 0.000 2.355 118 I HA 0.422 4.604 4.170 0.019 0.000 0.288 118 I C -0.264 175.917 176.117 0.107 0.000 0.999 118 I CA -0.531 60.764 61.300 -0.007 0.000 1.163 118 I CB 1.513 39.420 38.000 -0.156 0.000 1.316 118 I HN 0.386 nan 8.210 nan 0.000 0.454 119 I N 6.077 126.746 120.570 0.165 0.000 2.331 119 I HA 0.667 4.849 4.170 0.019 0.000 0.292 119 I C 0.315 176.519 176.117 0.145 0.000 0.998 119 I CA 0.017 61.454 61.300 0.229 0.000 1.267 119 I CB 1.321 39.485 38.000 0.273 0.000 1.386 119 I HN 0.677 nan 8.210 nan 0.000 0.476 120 A N 3.928 126.832 122.820 0.140 0.000 2.609 120 A HA 0.786 5.117 4.320 0.019 0.000 0.291 120 A C -0.260 177.388 177.584 0.108 0.000 1.096 120 A CA -0.631 51.479 52.037 0.123 0.000 0.684 120 A CB 1.465 20.572 19.000 0.178 0.000 1.282 120 A HN 0.646 nan 8.150 nan 0.000 0.412 121 T N -1.370 113.249 114.554 0.107 0.000 2.847 121 T HA 0.566 4.928 4.350 0.019 0.000 0.279 121 T C 1.334 176.106 174.700 0.120 0.000 0.984 121 T CA 0.200 62.355 62.100 0.092 0.000 0.988 121 T CB 1.269 70.187 68.868 0.084 0.000 1.040 121 T HN 1.710 nan 8.240 nan 0.000 0.528 122 A N 0.478 123.360 122.820 0.105 0.000 1.972 122 A HA -0.031 4.301 4.320 0.019 0.000 0.219 122 A C 2.152 179.817 177.584 0.136 0.000 1.169 122 A CA 1.527 53.650 52.037 0.145 0.000 0.635 122 A CB -0.981 18.089 19.000 0.117 0.000 0.810 122 A HN 0.910 nan 8.150 nan 0.000 0.446 123 E N -0.242 119.992 120.200 0.057 0.000 2.072 123 E HA -0.138 4.223 4.350 0.019 0.000 0.191 123 E C 2.020 178.374 176.600 -0.409 0.000 0.985 123 E CA 1.448 57.750 56.400 -0.164 0.000 0.801 123 E CB -0.135 29.471 29.700 -0.157 0.000 0.750 123 E HN 0.540 nan 8.360 nan 0.000 0.452 124 K N 0.257 120.642 120.400 -0.025 0.000 2.026 124 K HA -0.114 4.218 4.320 0.019 0.000 0.208 124 K C 1.740 178.381 176.600 0.069 0.000 1.048 124 K CA 1.106 57.447 56.287 0.090 0.000 0.929 124 K CB -0.580 32.017 32.500 0.162 0.000 0.713 124 K HN 0.141 nan 8.250 nan 0.000 0.439 125 F N 1.312 121.266 119.950 0.007 0.000 2.234 125 F HA -0.055 4.484 4.527 0.019 0.000 0.299 125 F C 1.664 177.481 175.800 0.028 0.000 1.087 125 F CA 1.664 59.693 58.000 0.048 0.000 1.340 125 F CB -0.425 38.622 39.000 0.078 0.000 1.031 125 F HN 0.240 nan 8.300 nan 0.000 0.500 126 D N -0.544 119.853 120.400 -0.005 0.000 2.144 126 D HA -0.163 4.489 4.640 0.019 0.000 0.200 126 D C 2.333 178.603 176.300 -0.050 0.000 0.978 126 D CA 1.574 55.579 54.000 0.008 0.000 0.833 126 D CB -0.180 40.732 40.800 0.186 0.000 0.961 126 D HN 0.329 nan 8.370 nan 0.000 0.470 127 S N -0.575 115.002 115.700 -0.205 0.000 2.387 127 S HA -0.068 4.414 4.470 0.019 0.000 0.226 127 S C 2.293 176.909 174.600 0.027 0.000 1.026 127 S CA 0.421 58.566 58.200 -0.092 0.000 0.972 127 S CB -0.676 62.367 63.200 -0.263 0.000 0.814 127 S HN 0.321 nan 8.310 nan 0.000 0.477 128 L N 0.701 121.864 121.223 -0.099 0.000 2.046 128 L HA -0.002 4.350 4.340 0.019 0.000 0.208 128 L C 2.608 179.289 176.870 -0.314 0.000 1.077 128 L CA 1.163 55.909 54.840 -0.158 0.000 0.747 128 L CB -0.579 41.355 42.059 -0.209 0.000 0.896 128 L HN 0.313 nan 8.230 nan 0.000 0.432 129 L N -0.764 120.188 121.223 -0.452 0.000 2.131 129 L HA -0.198 4.154 4.340 0.019 0.000 0.210 129 L C 2.763 179.416 176.870 -0.361 0.000 1.092 129 L CA 1.140 55.740 54.840 -0.400 0.000 0.759 129 L CB -0.398 41.463 42.059 -0.329 0.000 0.903 129 L HN 0.208 nan 8.230 nan 0.000 0.435 130 R N -1.342 118.978 120.500 -0.300 0.000 2.090 130 R HA -0.078 4.274 4.340 0.019 0.000 0.228 130 R C 2.091 178.092 176.300 -0.498 0.000 1.110 130 R CA 0.781 56.581 56.100 -0.500 0.000 0.973 130 R CB -0.284 29.847 30.300 -0.281 0.000 0.869 130 R HN 0.457 nan 8.270 nan 0.000 0.440 131 H N -0.317 118.608 119.070 -0.242 0.000 2.547 131 H HA 0.046 4.614 4.556 0.020 0.000 0.272 131 H C 0.937 176.130 175.328 -0.225 0.000 0.989 131 H CA 1.069 57.009 56.048 -0.180 0.000 1.214 131 H CB 0.258 29.958 29.762 -0.104 0.000 1.389 131 H HN 0.440 nan 8.280 nan 0.000 0.577 132 G N 1.720 110.386 108.800 -0.223 0.000 2.298 132 G HA2 -0.279 3.693 3.960 0.019 0.000 0.287 132 G HA3 -0.279 3.693 3.960 0.019 0.000 0.287 132 G C -0.076 174.673 174.900 -0.251 0.000 1.075 132 G CA 0.425 45.373 45.100 -0.253 0.000 0.960 132 G HN 0.313 nan 8.290 nan 0.000 0.502 133 S N 0.247 115.730 115.700 -0.361 0.000 2.563 133 S HA 0.295 4.777 4.470 0.019 0.000 0.294 133 S C 1.924 176.209 174.600 -0.526 0.000 1.279 133 S CA 0.415 58.325 58.200 -0.484 0.000 1.069 133 S CB 1.311 63.992 63.200 -0.865 0.000 0.828 133 S HN 1.532 nan 8.310 nan 0.000 0.497 134 S N 3.862 119.403 115.700 -0.265 0.000 2.387 134 S HA -0.164 4.318 4.470 0.019 0.000 0.230 134 S C 1.737 176.288 174.600 -0.083 0.000 1.035 134 S CA 1.255 59.381 58.200 -0.123 0.000 1.014 134 S CB -0.649 62.557 63.200 0.011 0.000 0.836 134 S HN 0.970 nan 8.310 nan 0.000 0.466 135 W N 1.416 122.715 121.300 -0.001 0.000 2.519 135 W HA 0.175 4.852 4.660 0.029 0.000 0.266 135 W C 1.586 178.124 176.519 0.030 0.000 1.253 135 W CA -0.098 57.254 57.345 0.012 0.000 1.274 135 W CB -0.947 28.516 29.460 0.005 0.000 1.114 135 W HN 0.266 nan 8.180 nan 0.000 0.596 136 I N 2.673 122.943 120.570 -0.500 0.000 2.315 136 I HA -0.378 3.803 4.170 0.019 0.000 0.251 136 I C 2.524 178.628 176.117 -0.021 0.000 1.125 136 I CA 2.395 63.487 61.300 -0.346 0.000 1.392 136 I CB -0.423 37.252 38.000 -0.542 0.000 1.065 136 I HN 0.028 nan 8.210 nan 0.000 0.424 137 K N -0.066 120.320 120.400 -0.024 0.000 2.504 137 K HA -0.102 4.230 4.320 0.019 0.000 0.195 137 K C 0.720 177.365 176.600 0.074 0.000 1.036 137 K CA 1.155 57.458 56.287 0.026 0.000 0.984 137 K CB -0.095 32.410 32.500 0.008 0.000 0.788 137 K HN 0.266 nan 8.250 nan 0.000 0.488 138 D N 1.121 121.599 120.400 0.131 0.000 2.349 138 D HA 0.029 4.681 4.640 0.019 0.000 0.214 138 D C -0.201 176.183 176.300 0.140 0.000 1.063 138 D CA 0.075 54.156 54.000 0.134 0.000 0.847 138 D CB 0.485 41.383 40.800 0.163 0.000 0.933 138 D HN -0.019 nan 8.370 nan 0.000 0.513 139 V N 2.720 122.740 119.914 0.176 0.000 2.439 139 V HA 0.017 4.148 4.120 0.019 0.000 0.271 139 V C 1.323 177.466 176.094 0.082 0.000 1.040 139 V CA 0.136 62.530 62.300 0.156 0.000 1.002 139 V CB 1.164 33.120 31.823 0.221 0.000 1.000 139 V HN -0.044 nan 8.190 nan 0.000 0.477 140 K N 4.751 125.176 120.400 0.041 0.000 2.354 140 K HA 0.418 4.750 4.320 0.019 0.000 0.194 140 K C 0.115 176.710 176.600 -0.008 0.000 1.038 140 K CA 0.383 56.677 56.287 0.011 0.000 1.052 140 K CB 1.142 33.635 32.500 -0.012 0.000 0.861 140 K HN 0.606 nan 8.250 nan 0.000 0.535 141 I N 0.214 120.778 120.570 -0.011 0.000 2.722 141 I HA 0.323 4.505 4.170 0.019 0.000 0.292 141 I C -2.076 174.017 176.117 -0.040 0.000 1.267 141 I CA -1.164 60.118 61.300 -0.030 0.000 1.036 141 I CB 2.035 40.010 38.000 -0.042 0.000 1.281 141 I HN -0.085 nan 8.210 nan 0.000 0.423 142 L N 8.144 129.329 121.223 -0.063 0.000 2.381 142 L HA 0.677 5.028 4.340 0.019 0.000 0.274 142 L C -1.622 175.179 176.870 -0.115 0.000 0.988 142 L CA -0.539 54.237 54.840 -0.107 0.000 0.824 142 L CB 1.864 43.837 42.059 -0.145 0.000 1.263 142 L HN 0.399 nan 8.230 nan 0.000 0.410 143 V N 4.589 124.423 119.914 -0.134 0.000 2.370 143 V HA 0.604 4.736 4.120 0.019 0.000 0.283 143 V C 0.367 176.255 176.094 -0.343 0.000 1.023 143 V CA -0.419 61.769 62.300 -0.186 0.000 0.857 143 V CB 1.368 33.131 31.823 -0.101 0.000 0.985 143 V HN 0.844 nan 8.190 nan 0.000 0.443 144 A N 3.487 126.156 122.820 -0.252 0.000 2.341 144 A HA 0.528 4.860 4.320 0.019 0.000 0.326 144 A C -0.252 177.195 177.584 -0.229 0.000 1.402 144 A CA -0.395 51.500 52.037 -0.236 0.000 0.957 144 A CB 0.136 19.053 19.000 -0.139 0.000 1.151 144 A HN 0.802 nan 8.150 nan 0.000 0.533 145 D N 2.247 122.458 120.400 -0.314 0.000 2.304 145 D HA 0.288 4.940 4.640 0.019 0.000 0.250 145 D C 0.139 176.384 176.300 -0.091 0.000 1.107 145 D CA 0.655 54.551 54.000 -0.173 0.000 0.885 145 D CB 0.478 41.184 40.800 -0.157 0.000 1.192 145 D HN 0.569 nan 8.370 nan 0.000 0.436 146 E N 2.340 122.528 120.200 -0.020 0.000 2.442 146 E HA -0.241 4.121 4.350 0.019 0.000 0.256 146 E C 1.077 177.502 176.600 -0.292 0.000 1.095 146 E CA 0.154 56.483 56.400 -0.119 0.000 0.747 146 E CB -1.787 27.817 29.700 -0.161 0.000 1.310 146 E HN 0.694 nan 8.360 nan 0.000 0.396 147 I N 1.021 121.532 120.570 -0.098 0.000 2.530 147 I HA -0.289 3.892 4.170 0.019 0.000 0.257 147 I C 2.530 178.579 176.117 -0.113 0.000 1.179 147 I CA 1.794 63.037 61.300 -0.094 0.000 1.440 147 I CB -0.083 37.891 38.000 -0.044 0.000 1.087 147 I HN 0.361 nan 8.210 nan 0.000 0.440 148 H N 0.303 119.348 119.070 -0.041 0.000 2.457 148 H HA -0.130 4.438 4.556 0.019 0.000 0.294 148 H C 1.999 177.310 175.328 -0.028 0.000 1.064 148 H CA 0.827 56.846 56.048 -0.047 0.000 1.330 148 H CB -1.039 28.696 29.762 -0.046 0.000 1.395 148 H HN 0.379 nan 8.280 nan 0.000 0.541 149 L N 0.928 121.840 121.223 -0.518 0.000 2.651 149 L HA -0.088 4.263 4.340 0.019 0.000 0.236 149 L C 2.579 179.396 176.870 -0.089 0.000 1.173 149 L CA 0.397 55.084 54.840 -0.254 0.000 0.843 149 L CB -0.426 41.475 42.059 -0.263 0.000 0.964 149 L HN 0.270 nan 8.230 nan 0.000 0.454 150 I N -0.100 120.428 120.570 -0.071 0.000 2.567 150 I HA -0.172 4.009 4.170 0.019 0.000 0.257 150 I C 1.942 178.082 176.117 0.037 0.000 1.184 150 I CA 1.122 62.417 61.300 -0.009 0.000 1.451 150 I CB -0.017 37.966 38.000 -0.029 0.000 1.089 150 I HN 0.246 nan 8.210 nan 0.000 0.441 151 G N -0.148 108.674 108.800 0.037 0.000 3.141 151 G HA2 -0.031 3.941 3.960 0.019 0.000 0.218 151 G HA3 -0.031 3.941 3.960 0.019 0.000 0.218 151 G C 0.491 175.436 174.900 0.075 0.000 1.170 151 G CA 0.019 45.167 45.100 0.081 0.000 0.769 151 G HN 0.329 nan 8.290 nan 0.000 0.546 152 S N -0.375 115.354 115.700 0.049 0.000 2.475 152 S HA 0.503 4.984 4.470 0.019 0.000 0.281 152 S C 1.884 176.520 174.600 0.061 0.000 1.198 152 S CA 0.367 58.595 58.200 0.048 0.000 1.063 152 S CB 1.085 64.299 63.200 0.024 0.000 0.972 152 S HN 0.554 nan 8.310 nan 0.000 0.486 153 R N 4.104 124.647 120.500 0.072 0.000 2.080 153 R HA -0.146 4.205 4.340 0.019 0.000 0.236 153 R C 1.650 177.988 176.300 0.063 0.000 1.137 153 R CA 2.573 58.719 56.100 0.078 0.000 0.943 153 R CB -2.111 28.250 30.300 0.103 0.000 0.846 153 R HN 0.968 nan 8.270 nan 0.000 0.431 154 D N 0.371 120.809 120.400 0.063 0.000 2.156 154 D HA -0.247 4.404 4.640 0.019 0.000 0.190 154 D C 1.304 177.635 176.300 0.052 0.000 0.998 154 D CA 1.714 55.747 54.000 0.055 0.000 0.842 154 D CB -0.296 40.538 40.800 0.057 0.000 0.974 154 D HN 0.573 nan 8.370 nan 0.000 0.447 155 R N -0.320 120.211 120.500 0.053 0.000 2.535 155 R HA 0.256 4.608 4.340 0.019 0.000 0.323 155 R C 2.027 178.360 176.300 0.055 0.000 0.979 155 R CA 0.316 56.451 56.100 0.058 0.000 1.120 155 R CB 0.938 31.277 30.300 0.065 0.000 1.306 155 R HN 0.222 nan 8.270 nan 0.000 0.540 156 G N 1.118 109.947 108.800 0.048 0.000 2.470 156 G HA2 -0.245 3.727 3.960 0.019 0.000 0.220 156 G HA3 -0.245 3.727 3.960 0.019 0.000 0.220 156 G C 1.418 176.355 174.900 0.063 0.000 1.121 156 G CA 0.923 46.052 45.100 0.047 0.000 0.766 156 G HN 0.332 nan 8.290 nan 0.000 0.553 157 A N 0.313 123.170 122.820 0.062 0.000 1.929 157 A HA 0.053 4.385 4.320 0.019 0.000 0.216 157 A C 2.513 180.150 177.584 0.088 0.000 1.176 157 A CA 2.179 54.254 52.037 0.062 0.000 0.628 157 A CB -0.709 18.312 19.000 0.035 0.000 0.816 157 A HN 0.257 nan 8.150 nan 0.000 0.444 158 T N 0.258 114.870 114.554 0.097 0.000 2.746 158 T HA -0.141 4.220 4.350 0.019 0.000 0.267 158 T C 1.820 176.614 174.700 0.155 0.000 1.039 158 T CA 1.556 63.739 62.100 0.138 0.000 1.142 158 T CB -0.348 68.612 68.868 0.153 0.000 0.866 158 T HN 0.293 nan 8.240 nan 0.000 0.444 159 L N 1.280 122.576 121.223 0.121 0.000 2.046 159 L HA -0.001 4.351 4.340 0.019 0.000 0.208 159 L C 2.430 179.393 176.870 0.156 0.000 1.077 159 L CA 1.836 56.746 54.840 0.117 0.000 0.747 159 L CB -0.595 41.501 42.059 0.062 0.000 0.896 159 L HN 0.264 nan 8.230 nan 0.000 0.432 160 E N -1.144 119.148 120.200 0.152 0.000 2.077 160 E HA -0.185 4.177 4.350 0.019 0.000 0.193 160 E C 2.084 178.820 176.600 0.226 0.000 0.989 160 E CA 1.505 58.026 56.400 0.201 0.000 0.800 160 E CB 0.022 29.782 29.700 0.100 0.000 0.746 160 E HN 0.397 nan 8.360 nan 0.000 0.452 161 V N 2.300 122.333 119.914 0.199 0.000 2.261 161 V HA -0.276 3.856 4.120 0.019 0.000 0.246 161 V C 2.498 178.789 176.094 0.328 0.000 1.047 161 V CA 1.975 64.428 62.300 0.254 0.000 1.015 161 V CB -0.687 31.290 31.823 0.257 0.000 0.642 161 V HN 0.487 nan 8.190 nan 0.000 0.446 162 I N -1.692 119.085 120.570 0.345 0.000 2.286 162 I HA -0.212 3.970 4.170 0.019 0.000 0.248 162 I C 2.269 178.577 176.117 0.318 0.000 1.115 162 I CA 1.821 63.368 61.300 0.411 0.000 1.392 162 I CB -0.593 37.668 38.000 0.436 0.000 1.065 162 I HN 0.193 nan 8.210 nan 0.000 0.418 163 L N 1.240 122.596 121.223 0.222 0.000 2.275 163 L HA -0.057 4.294 4.340 0.019 0.000 0.215 163 L C 2.882 179.791 176.870 0.065 0.000 1.119 163 L CA 0.981 55.886 54.840 0.109 0.000 0.790 163 L CB -0.473 41.647 42.059 0.101 0.000 0.919 163 L HN 0.398 nan 8.230 nan 0.000 0.443 164 A N -1.512 121.393 122.820 0.142 0.000 1.984 164 A HA -0.113 4.219 4.320 0.019 0.000 0.214 164 A C 2.042 179.652 177.584 0.043 0.000 1.173 164 A CA 0.600 52.649 52.037 0.020 0.000 0.673 164 A CB -0.399 18.466 19.000 -0.225 0.000 0.830 164 A HN 0.345 nan 8.150 nan 0.000 0.453 165 H N -0.953 118.261 119.070 0.240 0.000 2.372 165 H HA 0.032 4.600 4.556 0.019 0.000 0.301 165 H C 1.822 177.240 175.328 0.150 0.000 1.065 165 H CA 1.597 57.780 56.048 0.225 0.000 1.364 165 H CB -0.073 29.779 29.762 0.151 0.000 1.406 165 H HN 0.325 nan 8.280 nan 0.000 0.521 166 M N 0.569 120.325 119.600 0.261 0.000 2.349 166 M HA 0.030 4.522 4.480 0.019 0.000 0.266 166 M C 1.001 177.333 176.300 0.053 0.000 1.076 166 M CA 0.215 55.612 55.300 0.163 0.000 1.126 166 M CB -0.639 32.064 32.600 0.172 0.000 1.392 166 M HN 0.039 nan 8.290 nan 0.000 0.440 167 L N 0.790 122.003 121.223 -0.016 0.000 2.559 167 L HA 0.016 4.368 4.340 0.019 0.000 0.282 167 L C 1.417 178.255 176.870 -0.054 0.000 1.232 167 L CA 0.739 55.513 54.840 -0.111 0.000 0.885 167 L CB -0.100 41.819 42.059 -0.233 0.000 1.131 167 L HN 0.705 nan 8.230 nan 0.000 0.498 168 G N 2.490 111.250 108.800 -0.067 0.000 2.166 168 G HA2 -0.318 3.654 3.960 0.019 0.000 0.260 168 G HA3 -0.318 3.654 3.960 0.019 0.000 0.260 168 G C 0.878 175.778 174.900 -0.000 0.000 0.986 168 G CA 0.755 45.835 45.100 -0.033 0.000 0.683 168 G HN 0.744 nan 8.290 nan 0.000 0.527 169 K N -0.862 119.545 120.400 0.011 0.000 2.502 169 K HA 0.603 4.934 4.320 0.019 0.000 0.211 169 K C 0.658 177.274 176.600 0.027 0.000 1.259 169 K CA 0.718 57.025 56.287 0.034 0.000 0.983 169 K CB 1.241 33.783 32.500 0.069 0.000 1.054 169 K HN 0.853 nan 8.250 nan 0.000 0.572 170 A N 1.012 123.837 122.820 0.009 0.000 2.610 170 A HA 0.295 4.626 4.320 0.019 0.000 0.291 170 A C -1.658 175.908 177.584 -0.029 0.000 1.086 170 A CA -0.628 51.410 52.037 0.001 0.000 0.677 170 A CB 1.342 20.355 19.000 0.023 0.000 1.278 170 A HN 0.070 nan 8.150 nan 0.000 0.414 171 Q N 0.845 120.625 119.800 -0.033 0.000 2.313 171 Q HA 0.414 4.766 4.340 0.019 0.000 0.266 171 Q C -1.084 174.877 176.000 -0.065 0.000 0.989 171 Q CA 0.026 55.799 55.803 -0.050 0.000 0.890 171 Q CB 0.353 29.066 28.738 -0.041 0.000 1.200 171 Q HN 0.555 nan 8.270 nan 0.000 0.396 172 I N 5.900 126.417 120.570 -0.090 0.000 2.406 172 I HA 0.396 4.577 4.170 0.019 0.000 0.290 172 I C -0.309 175.745 176.117 -0.105 0.000 0.999 172 I CA -0.610 60.623 61.300 -0.111 0.000 1.124 172 I CB 1.419 39.322 38.000 -0.161 0.000 1.289 172 I HN 0.666 nan 8.210 nan 0.000 0.441 173 I N 4.934 125.448 120.570 -0.093 0.000 2.439 173 I HA 0.447 4.628 4.170 0.019 0.000 0.285 173 I C 0.423 176.489 176.117 -0.084 0.000 1.021 173 I CA -0.410 60.844 61.300 -0.076 0.000 1.091 173 I CB 2.210 40.183 38.000 -0.045 0.000 1.242 173 I HN 0.631 nan 8.210 nan 0.000 0.439 174 G N 7.123 115.876 108.800 -0.077 0.000 2.356 174 G HA2 0.709 4.681 3.960 0.019 0.000 0.322 174 G HA3 0.709 4.681 3.960 0.019 0.000 0.322 174 G C -0.858 174.025 174.900 -0.028 0.000 1.125 174 G CA -0.473 44.586 45.100 -0.067 0.000 0.885 174 G HN 0.440 nan 8.290 nan 0.000 0.467 175 L N 2.483 123.698 121.223 -0.013 0.000 2.319 175 L HA 0.600 4.952 4.340 0.019 0.000 0.281 175 L C 0.291 177.216 176.870 0.092 0.000 1.005 175 L CA -0.629 54.235 54.840 0.039 0.000 0.828 175 L CB 1.662 43.756 42.059 0.058 0.000 1.227 175 L HN 0.681 nan 8.230 nan 0.000 0.415 176 S N 2.321 118.086 115.700 0.108 0.000 2.651 176 S HA 0.876 5.358 4.470 0.019 0.000 0.279 176 S C -0.366 174.244 174.600 0.016 0.000 1.148 176 S CA -0.506 57.817 58.200 0.205 0.000 0.837 176 S CB 2.006 65.331 63.200 0.209 0.000 1.138 176 S HN 0.617 nan 8.310 nan 0.000 0.478 177 A N 1.131 123.790 122.820 -0.269 0.000 2.267 177 A HA 0.660 4.992 4.320 0.019 0.000 0.271 177 A C 0.475 177.937 177.584 -0.203 0.000 1.131 177 A CA -0.428 51.412 52.037 -0.328 0.000 0.818 177 A CB -0.681 17.942 19.000 -0.628 0.000 1.118 177 A HN 0.929 nan 8.150 nan 0.000 0.501 178 T N 1.037 115.513 114.554 -0.131 0.000 2.870 178 T HA 0.455 4.817 4.350 0.019 0.000 0.300 178 T C 0.285 174.919 174.700 -0.110 0.000 0.989 178 T CA 0.667 62.725 62.100 -0.069 0.000 1.139 178 T CB -0.391 68.479 68.868 0.003 0.000 0.920 178 T HN 0.611 nan 8.240 nan 0.000 0.537 179 I N -1.240 119.281 120.570 -0.081 0.000 3.145 179 I HA 0.792 4.974 4.170 0.019 0.000 0.313 179 I C 1.172 177.245 176.117 -0.073 0.000 1.122 179 I CA -1.404 59.842 61.300 -0.091 0.000 0.987 179 I CB 1.521 39.480 38.000 -0.069 0.000 1.236 179 I HN 0.581 nan 8.210 nan 0.000 0.453 180 G N 1.584 110.328 108.800 -0.093 0.000 2.421 180 G HA2 -0.128 3.844 3.960 0.019 0.000 0.217 180 G HA3 -0.128 3.844 3.960 0.019 0.000 0.217 180 G C 0.540 175.406 174.900 -0.057 0.000 1.143 180 G CA 0.483 45.533 45.100 -0.082 0.000 0.784 180 G HN 0.794 nan 8.290 nan 0.000 0.541 181 N N 0.466 119.135 118.700 -0.051 0.000 2.806 181 N HA 0.255 5.006 4.740 0.019 0.000 0.315 181 N C -2.384 173.146 175.510 0.033 0.000 1.738 181 N CA -1.559 51.490 53.050 -0.002 0.000 0.993 181 N CB 1.551 40.040 38.487 0.004 0.000 1.324 181 N HN -0.000 nan 8.380 nan 0.000 0.493 182 P HA -0.130 nan 4.420 nan 0.000 0.213 182 P C 1.044 178.368 177.300 0.039 0.000 1.170 182 P CA 1.558 64.668 63.100 0.016 0.000 0.902 182 P CB 0.406 32.111 31.700 0.009 0.000 0.789 183 E N -0.325 119.905 120.200 0.051 0.000 2.118 183 E HA -0.221 4.141 4.350 0.019 0.000 0.195 183 E C 2.046 178.720 176.600 0.123 0.000 0.992 183 E CA 1.264 57.706 56.400 0.070 0.000 0.804 183 E CB -0.781 28.960 29.700 0.069 0.000 0.741 183 E HN 0.449 nan 8.360 nan 0.000 0.458 184 E N 0.057 120.360 120.200 0.172 0.000 2.051 184 E HA -0.203 4.158 4.350 0.019 0.000 0.192 184 E C 1.940 178.754 176.600 0.357 0.000 0.991 184 E CA 0.852 57.443 56.400 0.318 0.000 0.799 184 E CB -0.094 29.799 29.700 0.321 0.000 0.748 184 E HN 0.182 nan 8.360 nan 0.000 0.449 185 L N 0.760 122.109 121.223 0.210 0.000 2.046 185 L HA -0.092 4.260 4.340 0.019 0.000 0.208 185 L C 2.232 179.109 176.870 0.012 0.000 1.077 185 L CA 2.151 56.987 54.840 -0.007 0.000 0.747 185 L CB -0.722 41.242 42.059 -0.158 0.000 0.896 185 L HN 0.213 nan 8.230 nan 0.000 0.432 186 A N -0.901 121.922 122.820 0.006 0.000 1.902 186 A HA -0.228 4.104 4.320 0.019 0.000 0.217 186 A C 2.184 179.728 177.584 -0.066 0.000 1.181 186 A CA 1.803 53.818 52.037 -0.036 0.000 0.623 186 A CB -0.615 18.376 19.000 -0.014 0.000 0.818 186 A HN 0.582 nan 8.150 nan 0.000 0.443 187 E N -1.684 118.498 120.200 -0.030 0.000 2.077 187 E HA -0.234 4.128 4.350 0.019 0.000 0.193 187 E C 1.724 178.113 176.600 -0.351 0.000 0.989 187 E CA 1.307 57.655 56.400 -0.086 0.000 0.800 187 E CB -0.259 29.500 29.700 0.099 0.000 0.746 187 E HN 0.875 nan 8.360 nan 0.000 0.452 188 W N 1.229 122.082 121.300 -0.745 0.000 2.374 188 W HA -0.108 4.564 4.660 0.021 0.000 0.288 188 W C 1.309 177.614 176.519 -0.358 0.000 1.218 188 W CA 1.103 57.947 57.345 -0.833 0.000 1.245 188 W CB -0.115 29.099 29.460 -0.409 0.000 1.126 188 W HN -0.038 nan 8.180 nan 0.000 0.545 189 L N 1.089 122.030 121.223 -0.470 0.000 2.554 189 L HA 0.015 4.367 4.340 0.019 0.000 0.226 189 L C 1.302 177.964 176.870 -0.348 0.000 1.137 189 L CA 0.852 55.358 54.840 -0.556 0.000 0.863 189 L CB -1.000 40.833 42.059 -0.376 0.000 0.985 189 L HN 0.152 nan 8.230 nan 0.000 0.451 190 N N 0.323 118.872 118.700 -0.252 0.000 2.740 190 N HA -0.177 4.574 4.740 0.019 0.000 0.248 190 N C -0.183 175.252 175.510 -0.126 0.000 1.062 190 N CA 0.132 53.091 53.050 -0.153 0.000 0.704 190 N CB -0.205 38.193 38.487 -0.148 0.000 0.968 190 N HN 0.391 nan 8.380 nan 0.000 0.547 191 A N 0.483 123.232 122.820 -0.119 0.000 2.337 191 A HA 0.584 4.915 4.320 0.019 0.000 0.331 191 A C -0.153 177.397 177.584 -0.057 0.000 1.137 191 A CA -0.612 51.369 52.037 -0.094 0.000 0.807 191 A CB 1.107 20.041 19.000 -0.111 0.000 1.250 191 A HN 0.327 nan 8.150 nan 0.000 0.468 192 E N 0.306 120.477 120.200 -0.048 0.000 2.354 192 E HA 0.274 4.636 4.350 0.019 0.000 0.269 192 E C -1.148 175.435 176.600 -0.029 0.000 1.036 192 E CA -0.252 56.129 56.400 -0.032 0.000 0.876 192 E CB 1.463 31.144 29.700 -0.031 0.000 1.009 192 E HN 0.440 nan 8.360 nan 0.000 0.416 193 L N 4.066 125.278 121.223 -0.017 0.000 2.287 193 L HA 0.357 4.709 4.340 0.019 0.000 0.287 193 L C -1.062 175.805 176.870 -0.005 0.000 1.022 193 L CA -0.419 54.414 54.840 -0.010 0.000 0.814 193 L CB 0.778 42.837 42.059 -0.001 0.000 1.217 193 L HN 0.325 nan 8.230 nan 0.000 0.420 194 I N 6.390 126.958 120.570 -0.004 0.000 2.405 194 I HA 0.382 4.564 4.170 0.019 0.000 0.280 194 I C -0.686 175.440 176.117 0.014 0.000 1.027 194 I CA -0.192 61.109 61.300 0.003 0.000 1.161 194 I CB 1.632 39.630 38.000 -0.003 0.000 1.300 194 I HN 0.223 nan 8.210 nan 0.000 0.463 195 V N 4.854 124.780 119.914 0.020 0.000 2.417 195 V HA 0.801 4.932 4.120 0.019 0.000 0.291 195 V C -0.085 176.035 176.094 0.042 0.000 1.024 195 V CA -0.308 62.009 62.300 0.027 0.000 0.861 195 V CB 1.717 33.553 31.823 0.022 0.000 0.985 195 V HN 0.725 nan 8.190 nan 0.000 0.436 196 S N 2.362 118.096 115.700 0.057 0.000 2.547 196 S HA 0.463 4.945 4.470 0.019 0.000 0.270 196 S C -0.908 173.747 174.600 0.091 0.000 1.150 196 S CA -0.304 57.948 58.200 0.086 0.000 0.850 196 S CB 2.140 65.408 63.200 0.114 0.000 1.118 196 S HN 0.930 nan 8.310 nan 0.000 0.461 197 D N 1.006 121.467 120.400 0.102 0.000 2.563 197 D HA 0.054 4.705 4.640 0.019 0.000 0.237 197 D C -0.143 176.194 176.300 0.062 0.000 1.282 197 D CA -0.328 53.706 54.000 0.058 0.000 0.816 197 D CB -0.434 40.375 40.800 0.016 0.000 1.066 197 D HN 0.482 nan 8.370 nan 0.000 0.501 198 W N 3.367 124.652 121.300 -0.025 0.000 2.253 198 W HA 0.248 4.920 4.660 0.019 0.000 0.322 198 W C 0.194 176.665 176.519 -0.080 0.000 1.342 198 W CA -0.240 57.081 57.345 -0.040 0.000 1.218 198 W CB 0.661 30.108 29.460 -0.022 0.000 1.205 198 W HN -0.051 nan 8.180 nan 0.000 0.551 199 R N 6.677 126.647 120.500 -0.883 0.000 2.795 199 R HA 0.469 4.821 4.340 0.019 0.000 0.275 199 R C -2.223 173.155 176.300 -1.538 0.000 0.981 199 R CA -1.698 53.917 56.100 -0.808 0.000 0.917 199 R CB 1.799 31.851 30.300 -0.413 0.000 1.202 199 R HN 0.234 nan 8.270 nan 0.000 0.469 200 P HA -0.103 nan 4.420 nan 0.000 0.221 200 P C 0.355 177.417 177.300 -0.396 0.000 1.150 200 P CA 0.699 63.381 63.100 -0.697 0.000 0.800 200 P CB 0.388 31.817 31.700 -0.452 0.000 0.787 201 V N -0.627 119.087 119.914 -0.333 0.000 2.409 201 V HA 0.577 4.709 4.120 0.019 0.000 0.290 201 V C -0.036 175.934 176.094 -0.206 0.000 1.017 201 V CA -0.858 61.328 62.300 -0.190 0.000 0.841 201 V CB 0.647 32.427 31.823 -0.071 0.000 1.003 201 V HN 0.085 nan 8.190 nan 0.000 0.426 202 K N 5.354 125.635 120.400 -0.199 0.000 2.543 202 K HA 0.254 4.585 4.320 0.019 0.000 0.279 202 K C -0.701 175.819 176.600 -0.133 0.000 1.001 202 K CA 0.887 57.067 56.287 -0.179 0.000 1.088 202 K CB 0.064 32.481 32.500 -0.138 0.000 0.863 202 K HN 1.119 nan 8.250 nan 0.000 0.488 203 L N 1.825 122.965 121.223 -0.138 0.000 2.322 203 L HA 0.589 4.940 4.340 0.019 0.000 0.281 203 L C 0.018 176.828 176.870 -0.100 0.000 1.014 203 L CA -0.688 54.086 54.840 -0.109 0.000 0.815 203 L CB 2.049 44.043 42.059 -0.110 0.000 1.247 203 L HN 0.781 nan 8.230 nan 0.000 0.421 204 R N 4.043 124.484 120.500 -0.097 0.000 2.393 204 R HA 0.619 4.971 4.340 0.019 0.000 0.315 204 R C -1.016 175.361 176.300 0.128 0.000 0.952 204 R CA -0.741 55.316 56.100 -0.072 0.000 0.842 204 R CB 0.938 31.039 30.300 -0.331 0.000 1.163 204 R HN 0.711 nan 8.270 nan 0.000 0.450 205 R N 1.527 122.137 120.500 0.183 0.000 2.460 205 R HA 0.601 4.952 4.340 0.019 0.000 0.303 205 R C -0.192 176.287 176.300 0.298 0.000 0.968 205 R CA -0.419 55.797 56.100 0.194 0.000 0.889 205 R CB 2.143 32.426 30.300 -0.028 0.000 1.123 205 R HN 0.745 nan 8.270 nan 0.000 0.455 206 G N 0.217 109.088 108.800 0.118 0.000 2.766 206 G HA2 0.599 4.571 3.960 0.019 0.000 0.288 206 G HA3 0.599 4.571 3.960 0.019 0.000 0.288 206 G C -1.557 173.232 174.900 -0.185 0.000 1.408 206 G CA -0.610 44.387 45.100 -0.171 0.000 0.852 206 G HN 0.332 nan 8.290 nan 0.000 0.487 207 V N 0.407 120.212 119.914 -0.181 0.000 2.531 207 V HA 0.457 4.589 4.120 0.019 0.000 0.301 207 V C -1.154 174.931 176.094 -0.015 0.000 1.034 207 V CA -0.674 61.590 62.300 -0.059 0.000 0.865 207 V CB 1.498 33.316 31.823 -0.008 0.000 0.995 207 V HN 0.674 nan 8.190 nan 0.000 0.424 208 F N 5.966 125.868 119.950 -0.081 0.000 2.411 208 F HA 0.641 5.180 4.527 0.020 0.000 0.350 208 F C -0.944 174.956 175.800 0.166 0.000 1.114 208 F CA -0.407 57.591 58.000 -0.003 0.000 1.135 208 F CB 0.662 39.643 39.000 -0.032 0.000 1.120 208 F HN 0.551 nan 8.300 nan 0.000 0.495 209 Y N 6.065 125.978 120.300 -0.645 0.000 2.317 209 Y HA 0.253 4.815 4.550 0.019 0.000 0.325 209 Y C -0.739 174.884 175.900 -0.461 0.000 1.066 209 Y CA -1.067 56.778 58.100 -0.424 0.000 1.203 209 Y CB 0.694 39.063 38.460 -0.151 0.000 1.127 209 Y HN 0.753 nan 8.280 nan 0.000 0.451 210 Q N 4.703 123.975 119.800 -0.881 0.000 2.448 210 Q HA -0.224 4.127 4.340 0.019 0.000 0.357 210 Q C 1.028 176.836 176.000 -0.320 0.000 1.443 210 Q CA 1.307 56.768 55.803 -0.570 0.000 0.996 210 Q CB -1.409 26.936 28.738 -0.654 0.000 1.180 210 Q HN 1.447 nan 8.270 nan 0.000 0.338 211 G N -0.618 107.930 108.800 -0.420 0.000 2.184 211 G HA2 -0.318 3.653 3.960 0.019 0.000 0.264 211 G HA3 -0.318 3.653 3.960 0.019 0.000 0.264 211 G C -0.255 174.270 174.900 -0.626 0.000 0.975 211 G CA 0.458 45.382 45.100 -0.295 0.000 0.642 211 G HN 0.424 nan 8.290 nan 0.000 0.536 212 F N -0.901 118.867 119.950 -0.304 0.000 2.588 212 F HA 0.659 5.197 4.527 0.019 0.000 0.310 212 F C 0.042 175.781 175.800 -0.101 0.000 1.082 212 F CA -1.119 56.845 58.000 -0.059 0.000 0.929 212 F CB 2.307 41.281 39.000 -0.043 0.000 1.254 212 F HN 0.006 nan 8.300 nan 0.000 0.455 213 V N 1.599 121.658 119.914 0.242 0.000 2.398 213 V HA 0.502 4.634 4.120 0.019 0.000 0.286 213 V C -0.364 175.598 176.094 -0.220 0.000 1.026 213 V CA -0.502 61.751 62.300 -0.078 0.000 0.868 213 V CB 1.728 33.356 31.823 -0.324 0.000 0.982 213 V HN 0.800 nan 8.190 nan 0.000 0.443 214 T N 4.638 119.038 114.554 -0.257 0.000 2.770 214 T HA 0.417 4.778 4.350 0.019 0.000 0.283 214 T C -0.651 173.919 174.700 -0.217 0.000 0.988 214 T CA -0.198 61.819 62.100 -0.139 0.000 0.957 214 T CB 0.463 69.323 68.868 -0.015 0.000 0.930 214 T HN 0.565 nan 8.240 nan 0.000 0.443 215 W N 2.312 123.684 121.300 0.121 0.000 2.381 215 W HA 0.301 4.973 4.660 0.019 0.000 0.329 215 W C 1.767 178.347 176.519 0.101 0.000 1.157 215 W CA -0.980 56.421 57.345 0.094 0.000 1.240 215 W CB 0.633 30.146 29.460 0.088 0.000 1.199 215 W HN 0.809 nan 8.180 nan 0.000 0.579 216 E N 0.334 120.737 120.200 0.338 0.000 2.147 216 E HA -0.356 4.006 4.350 0.019 0.000 0.199 216 E C 1.210 177.993 176.600 0.305 0.000 1.005 216 E CA 2.021 58.606 56.400 0.308 0.000 0.810 216 E CB -0.478 29.342 29.700 0.200 0.000 0.736 216 E HN 0.674 nan 8.360 nan 0.000 0.460 217 D N -0.303 120.253 120.400 0.260 0.000 2.310 217 D HA -0.075 4.577 4.640 0.019 0.000 0.212 217 D C 1.540 177.941 176.300 0.168 0.000 0.965 217 D CA 1.150 55.260 54.000 0.183 0.000 0.879 217 D CB 0.463 41.340 40.800 0.128 0.000 0.921 217 D HN 0.483 nan 8.370 nan 0.000 0.510 218 G N 0.158 109.084 108.800 0.210 0.000 2.481 218 G HA2 -0.227 3.745 3.960 0.019 0.000 0.200 218 G HA3 -0.227 3.745 3.960 0.019 0.000 0.200 218 G C 0.431 175.442 174.900 0.184 0.000 1.012 218 G CA 0.107 45.304 45.100 0.162 0.000 0.676 218 G HN 0.387 nan 8.290 nan 0.000 0.488 219 S N 1.403 117.250 115.700 0.244 0.000 2.569 219 S HA 0.540 5.022 4.470 0.019 0.000 0.274 219 S C 0.154 174.956 174.600 0.335 0.000 1.353 219 S CA 0.418 58.785 58.200 0.278 0.000 1.023 219 S CB 0.695 64.080 63.200 0.308 0.000 0.876 219 S HN 0.465 nan 8.310 nan 0.000 0.540 220 I N 2.082 122.824 120.570 0.287 0.000 2.533 220 I HA 0.457 4.639 4.170 0.019 0.000 0.290 220 I C -0.508 175.828 176.117 0.366 0.000 1.056 220 I CA -0.621 60.840 61.300 0.268 0.000 1.057 220 I CB 1.837 39.928 38.000 0.152 0.000 1.240 220 I HN 0.453 nan 8.210 nan 0.000 0.423 221 D N 4.334 124.994 120.400 0.432 0.000 2.481 221 D HA 0.329 4.981 4.640 0.019 0.000 0.244 221 D C -0.260 176.247 176.300 0.346 0.000 1.057 221 D CA -0.543 53.717 54.000 0.434 0.000 0.848 221 D CB 2.811 43.995 40.800 0.641 0.000 1.388 221 D HN 0.383 nan 8.370 nan 0.000 0.475 222 R N 1.794 122.302 120.500 0.013 0.000 2.357 222 R HA 0.422 4.773 4.340 0.019 0.000 0.296 222 R C -1.327 174.620 176.300 -0.589 0.000 1.052 222 R CA -0.050 55.821 56.100 -0.383 0.000 0.988 222 R CB 0.347 30.443 30.300 -0.340 0.000 1.025 222 R HN 0.265 nan 8.270 nan 0.000 0.469 223 F N 2.125 121.970 119.950 -0.174 0.000 2.787 223 F HA 0.096 4.634 4.527 0.020 0.000 0.340 223 F C 1.148 176.963 175.800 0.024 0.000 1.232 223 F CA -0.572 57.439 58.000 0.017 0.000 1.051 223 F CB 2.196 41.297 39.000 0.170 0.000 1.330 223 F HN 0.703 nan 8.300 nan 0.000 0.522 224 S N 0.820 116.567 115.700 0.078 0.000 2.387 224 S HA -0.089 4.393 4.470 0.019 0.000 0.230 224 S C 0.611 175.304 174.600 0.155 0.000 1.035 224 S CA 1.225 59.459 58.200 0.057 0.000 1.014 224 S CB -0.342 62.873 63.200 0.024 0.000 0.836 224 S HN 0.679 nan 8.310 nan 0.000 0.466 225 S N -0.523 115.269 115.700 0.154 0.000 2.570 225 S HA 0.456 4.938 4.470 0.019 0.000 0.270 225 S C 0.455 174.847 174.600 -0.345 0.000 1.149 225 S CA -0.521 57.705 58.200 0.044 0.000 0.837 225 S CB 0.230 63.373 63.200 -0.094 0.000 1.124 225 S HN 0.579 nan 8.310 nan 0.000 0.465 226 W N 2.465 123.290 121.300 -0.792 0.000 2.335 226 W HA -0.141 4.531 4.660 0.019 0.000 0.311 226 W C 1.211 177.365 176.519 -0.608 0.000 1.213 226 W CA 2.010 58.687 57.345 -1.114 0.000 1.274 226 W CB -1.187 27.719 29.460 -0.923 0.000 1.148 226 W HN 0.938 nan 8.180 nan 0.000 0.498 227 E N 0.658 119.849 120.200 -1.682 0.000 2.273 227 E HA -0.252 4.109 4.350 0.019 0.000 0.198 227 E C 1.585 177.458 176.600 -1.213 0.000 1.002 227 E CA 1.311 56.679 56.400 -1.720 0.000 0.828 227 E CB -0.813 27.924 29.700 -1.605 0.000 0.747 227 E HN 0.310 nan 8.360 nan 0.000 0.491 228 E N 0.931 120.744 120.200 -0.646 0.000 2.268 228 E HA -0.031 4.330 4.350 0.019 0.000 0.195 228 E C 2.222 178.764 176.600 -0.098 0.000 0.995 228 E CA 0.264 56.537 56.400 -0.212 0.000 0.836 228 E CB -0.135 29.623 29.700 0.096 0.000 0.763 228 E HN 0.398 nan 8.360 nan 0.000 0.491 229 L N -0.267 120.791 121.223 -0.275 0.000 2.093 229 L HA -0.163 4.189 4.340 0.019 0.000 0.208 229 L C 2.410 179.202 176.870 -0.131 0.000 1.085 229 L CA 0.624 55.302 54.840 -0.271 0.000 0.755 229 L CB -0.335 41.470 42.059 -0.424 0.000 0.904 229 L HN 0.005 nan 8.230 nan 0.000 0.435 230 V N -0.866 118.883 119.914 -0.274 0.000 2.244 230 V HA -0.313 3.819 4.120 0.019 0.000 0.244 230 V C 2.150 178.240 176.094 -0.007 0.000 1.042 230 V CA 1.808 63.999 62.300 -0.182 0.000 1.006 230 V CB -0.795 30.807 31.823 -0.368 0.000 0.641 230 V HN 0.349 nan 8.190 nan 0.000 0.446 231 Y N 0.257 120.550 120.300 -0.012 0.000 2.333 231 Y HA -0.260 4.301 4.550 0.019 0.000 0.290 231 Y C 2.503 178.443 175.900 0.066 0.000 1.144 231 Y CA 1.152 59.259 58.100 0.011 0.000 1.228 231 Y CB -0.278 38.169 38.460 -0.020 0.000 0.985 231 Y HN 0.353 nan 8.280 nan 0.000 0.542 232 D N 0.280 120.827 120.400 0.244 0.000 2.149 232 D HA -0.111 4.540 4.640 0.019 0.000 0.201 232 D C 2.171 178.615 176.300 0.241 0.000 0.972 232 D CA 1.139 55.292 54.000 0.255 0.000 0.835 232 D CB -0.114 40.912 40.800 0.377 0.000 0.966 232 D HN 0.209 nan 8.370 nan 0.000 0.476 233 A N 0.482 123.457 122.820 0.259 0.000 1.877 233 A HA -0.109 4.223 4.320 0.019 0.000 0.216 233 A C 2.425 180.116 177.584 0.178 0.000 1.186 233 A CA 1.272 53.499 52.037 0.317 0.000 0.620 233 A CB -0.870 18.347 19.000 0.360 0.000 0.822 233 A HN 0.361 nan 8.150 nan 0.000 0.443 234 I N -1.056 119.610 120.570 0.162 0.000 2.264 234 I HA -0.274 3.907 4.170 0.019 0.000 0.248 234 I C 2.761 178.922 176.117 0.073 0.000 1.111 234 I CA 1.446 62.814 61.300 0.113 0.000 1.382 234 I CB -0.390 37.690 38.000 0.134 0.000 1.060 234 I HN 0.304 nan 8.210 nan 0.000 0.418 235 R N 1.025 121.576 120.500 0.086 0.000 2.115 235 R HA -0.084 4.268 4.340 0.019 0.000 0.230 235 R C 1.469 177.784 176.300 0.025 0.000 1.111 235 R CA 0.882 57.013 56.100 0.052 0.000 0.976 235 R CB -0.045 30.293 30.300 0.063 0.000 0.870 235 R HN 0.316 nan 8.270 nan 0.000 0.445 236 K N 0.997 121.408 120.400 0.019 0.000 2.589 236 K HA 0.049 4.381 4.320 0.019 0.000 0.204 236 K C -0.172 176.384 176.600 -0.074 0.000 1.029 236 K CA 0.021 56.284 56.287 -0.040 0.000 1.177 236 K CB 0.488 32.937 32.500 -0.086 0.000 0.902 236 K HN -0.071 nan 8.250 nan 0.000 0.501 237 K N 0.131 120.510 120.400 -0.036 0.000 3.209 237 K HA -0.183 4.148 4.320 0.019 0.000 0.289 237 K C -0.105 176.458 176.600 -0.062 0.000 1.191 237 K CA 1.265 57.528 56.287 -0.041 0.000 0.851 237 K CB -1.287 31.188 32.500 -0.042 0.000 1.242 237 K HN 0.259 nan 8.250 nan 0.000 0.480 238 K N -0.276 120.089 120.400 -0.058 0.000 2.401 238 K HA 0.731 5.063 4.320 0.019 0.000 0.255 238 K C 0.906 177.535 176.600 0.049 0.000 1.062 238 K CA -0.179 56.083 56.287 -0.042 0.000 0.999 238 K CB 1.077 33.507 32.500 -0.118 0.000 1.415 238 K HN 0.137 nan 8.250 nan 0.000 0.576 239 G N -0.993 107.884 108.800 0.129 0.000 2.766 239 G HA2 0.681 4.652 3.960 0.019 0.000 0.288 239 G HA3 0.681 4.652 3.960 0.019 0.000 0.288 239 G C -1.756 173.304 174.900 0.266 0.000 1.408 239 G CA -0.545 44.653 45.100 0.165 0.000 0.852 239 G HN 0.573 nan 8.290 nan 0.000 0.487 240 A N -0.906 122.090 122.820 0.293 0.000 2.539 240 A HA 0.754 5.085 4.320 0.019 0.000 0.296 240 A C -1.865 175.778 177.584 0.097 0.000 1.073 240 A CA -0.558 51.587 52.037 0.180 0.000 0.700 240 A CB 2.065 21.119 19.000 0.090 0.000 1.296 240 A HN 1.541 nan 8.150 nan 0.000 0.405 241 L N 1.850 123.048 121.223 -0.042 0.000 2.333 241 L HA 0.829 5.181 4.340 0.019 0.000 0.280 241 L C -1.583 175.079 176.870 -0.348 0.000 1.004 241 L CA -0.383 54.279 54.840 -0.296 0.000 0.820 241 L CB 1.160 43.036 42.059 -0.305 0.000 1.247 241 L HN 0.521 nan 8.230 nan 0.000 0.416 242 I N 5.507 125.821 120.570 -0.428 0.000 2.406 242 I HA 0.444 4.625 4.170 0.019 0.000 0.290 242 I C -0.868 174.963 176.117 -0.477 0.000 0.999 242 I CA 0.007 61.116 61.300 -0.319 0.000 1.124 242 I CB 1.525 39.483 38.000 -0.071 0.000 1.289 242 I HN 0.357 nan 8.210 nan 0.000 0.441 243 F N 5.966 125.833 119.950 -0.137 0.000 2.436 243 F HA 0.721 5.259 4.527 0.019 0.000 0.340 243 F C 0.225 175.939 175.800 -0.144 0.000 1.113 243 F CA -0.845 57.077 58.000 -0.130 0.000 1.022 243 F CB 1.689 40.608 39.000 -0.134 0.000 1.128 243 F HN 0.251 nan 8.300 nan 0.000 0.466 244 V N 0.131 120.100 119.914 0.092 0.000 3.040 244 V HA 0.504 4.636 4.120 0.019 0.000 0.312 244 V C -0.185 175.937 176.094 0.046 0.000 1.115 244 V CA -1.021 61.293 62.300 0.023 0.000 0.998 244 V CB 2.019 33.842 31.823 0.000 0.000 1.042 244 V HN 0.732 nan 8.190 nan 0.000 0.433 245 N N 1.366 120.080 118.700 0.023 0.000 2.322 245 N HA 0.218 4.969 4.740 0.019 0.000 0.194 245 N C -0.118 175.405 175.510 0.022 0.000 1.126 245 N CA 0.149 53.215 53.050 0.027 0.000 0.845 245 N CB 0.100 38.608 38.487 0.035 0.000 0.976 245 N HN 0.634 nan 8.380 nan 0.000 0.475 246 M N -0.235 119.372 119.600 0.012 0.000 2.365 246 M HA 0.322 4.813 4.480 0.019 0.000 0.287 246 M C 0.714 176.990 176.300 -0.040 0.000 1.154 246 M CA -0.460 54.829 55.300 -0.017 0.000 0.941 246 M CB 2.317 34.905 32.600 -0.020 0.000 1.704 246 M HN -0.125 nan 8.290 nan 0.000 0.479 247 R N 0.785 121.215 120.500 -0.118 0.000 2.122 247 R HA -0.134 4.217 4.340 0.019 0.000 0.236 247 R C 1.697 177.897 176.300 -0.167 0.000 1.129 247 R CA 2.142 58.092 56.100 -0.250 0.000 0.925 247 R CB -0.144 29.780 30.300 -0.628 0.000 0.850 247 R HN 0.593 nan 8.270 nan 0.000 0.431 248 R N 0.524 120.924 120.500 -0.167 0.000 2.139 248 R HA -0.193 4.159 4.340 0.019 0.000 0.243 248 R C 2.262 178.506 176.300 -0.093 0.000 1.145 248 R CA 1.567 57.586 56.100 -0.135 0.000 0.976 248 R CB -0.210 30.033 30.300 -0.095 0.000 0.866 248 R HN 0.041 nan 8.270 nan 0.000 0.449 249 K N 0.898 121.265 120.400 -0.055 0.000 2.002 249 K HA -0.085 4.247 4.320 0.019 0.000 0.209 249 K C 1.928 178.525 176.600 -0.005 0.000 1.048 249 K CA 1.714 57.991 56.287 -0.018 0.000 0.930 249 K CB -0.403 32.094 32.500 -0.005 0.000 0.714 249 K HN 0.128 nan 8.250 nan 0.000 0.438 250 A N 0.759 123.582 122.820 0.005 0.000 1.908 250 A HA -0.225 4.107 4.320 0.019 0.000 0.218 250 A C 2.015 179.593 177.584 -0.009 0.000 1.181 250 A CA 2.071 54.136 52.037 0.047 0.000 0.627 250 A CB -0.643 18.439 19.000 0.137 0.000 0.818 250 A HN 0.553 nan 8.150 nan 0.000 0.445 251 E N -0.777 119.294 120.200 -0.215 0.000 2.077 251 E HA -0.173 4.189 4.350 0.019 0.000 0.193 251 E C 2.389 178.928 176.600 -0.102 0.000 0.989 251 E CA 1.116 57.262 56.400 -0.424 0.000 0.800 251 E CB -0.139 29.198 29.700 -0.606 0.000 0.746 251 E HN 0.539 nan 8.360 nan 0.000 0.452 252 R N 0.259 120.728 120.500 -0.052 0.000 2.070 252 R HA -0.119 4.232 4.340 0.019 0.000 0.233 252 R C 2.457 178.794 176.300 0.061 0.000 1.137 252 R CA 1.319 57.425 56.100 0.011 0.000 0.945 252 R CB -0.413 29.895 30.300 0.015 0.000 0.845 252 R HN 0.054 nan 8.270 nan 0.000 0.430 253 V N 1.081 121.047 119.914 0.086 0.000 2.287 253 V HA -0.282 3.849 4.120 0.019 0.000 0.248 253 V C 2.455 178.632 176.094 0.139 0.000 1.053 253 V CA 1.998 64.386 62.300 0.146 0.000 1.027 253 V CB -0.848 31.091 31.823 0.195 0.000 0.646 253 V HN 0.455 nan 8.190 nan 0.000 0.447 254 A N 0.216 123.120 122.820 0.141 0.000 1.892 254 A HA -0.251 4.080 4.320 0.019 0.000 0.218 254 A C 2.196 179.864 177.584 0.140 0.000 1.188 254 A CA 2.390 54.525 52.037 0.163 0.000 0.631 254 A CB -0.685 18.480 19.000 0.274 0.000 0.822 254 A HN 0.511 nan 8.150 nan 0.000 0.447 255 L N -0.235 121.068 121.223 0.133 0.000 2.093 255 L HA -0.119 4.233 4.340 0.019 0.000 0.208 255 L C 2.188 179.105 176.870 0.079 0.000 1.085 255 L CA 2.668 57.570 54.840 0.104 0.000 0.755 255 L CB -0.620 41.493 42.059 0.090 0.000 0.904 255 L HN 0.537 nan 8.230 nan 0.000 0.435 256 E N 0.009 120.256 120.200 0.079 0.000 2.028 256 E HA -0.209 4.152 4.350 0.019 0.000 0.191 256 E C 2.193 178.840 176.600 0.078 0.000 0.988 256 E CA 1.818 58.258 56.400 0.067 0.000 0.799 256 E CB -0.279 29.462 29.700 0.069 0.000 0.755 256 E HN 0.635 nan 8.360 nan 0.000 0.447 257 L N 1.194 122.473 121.223 0.095 0.000 2.083 257 L HA -0.186 4.166 4.340 0.019 0.000 0.209 257 L C 2.839 179.796 176.870 0.145 0.000 1.083 257 L CA 1.524 56.458 54.840 0.155 0.000 0.752 257 L CB -0.536 41.583 42.059 0.101 0.000 0.899 257 L HN 0.190 nan 8.230 nan 0.000 0.433 258 S N -0.382 115.375 115.700 0.095 0.000 2.442 258 S HA -0.204 4.278 4.470 0.019 0.000 0.236 258 S C 1.863 176.478 174.600 0.025 0.000 1.007 258 S CA 0.960 59.198 58.200 0.063 0.000 0.965 258 S CB -0.289 62.948 63.200 0.062 0.000 0.773 258 S HN 0.392 nan 8.310 nan 0.000 0.504 259 K N 0.880 121.293 120.400 0.021 0.000 2.283 259 K HA 0.019 4.350 4.320 0.019 0.000 0.202 259 K C 2.511 179.070 176.600 -0.070 0.000 1.048 259 K CA 1.439 57.719 56.287 -0.012 0.000 0.948 259 K CB -0.234 32.265 32.500 -0.001 0.000 0.742 259 K HN 0.627 nan 8.250 nan 0.000 0.458 260 K N 0.310 120.634 120.400 -0.127 0.000 2.365 260 K HA 0.107 4.438 4.320 0.019 0.000 0.195 260 K C 1.790 178.197 176.600 -0.323 0.000 1.079 260 K CA 0.356 56.451 56.287 -0.319 0.000 0.979 260 K CB -0.256 31.843 32.500 -0.670 0.000 0.929 260 K HN -0.071 nan 8.250 nan 0.000 0.523 261 V N 1.821 121.638 119.914 -0.163 0.000 2.515 261 V HA -0.202 3.929 4.120 0.019 0.000 0.250 261 V C 2.539 178.608 176.094 -0.043 0.000 1.058 261 V CA 2.054 64.321 62.300 -0.055 0.000 1.064 261 V CB -0.106 31.762 31.823 0.076 0.000 0.675 261 V HN 0.664 nan 8.190 nan 0.000 0.461 262 K N 1.319 121.696 120.400 -0.039 0.000 2.044 262 K HA -0.245 4.087 4.320 0.019 0.000 0.210 262 K C 2.206 178.782 176.600 -0.039 0.000 1.049 262 K CA 2.085 58.356 56.287 -0.026 0.000 0.927 262 K CB -0.324 32.163 32.500 -0.022 0.000 0.713 262 K HN 0.602 nan 8.250 nan 0.000 0.443 263 S N 0.122 115.783 115.700 -0.065 0.000 2.595 263 S HA -0.039 4.442 4.470 0.019 0.000 0.235 263 S C 1.468 176.032 174.600 -0.060 0.000 0.974 263 S CA 0.489 58.650 58.200 -0.065 0.000 0.942 263 S CB -0.140 63.009 63.200 -0.086 0.000 0.766 263 S HN 0.372 nan 8.310 nan 0.000 0.536 264 L N 0.384 121.573 121.223 -0.056 0.000 2.728 264 L HA 0.467 4.819 4.340 0.019 0.000 0.238 264 L C -0.170 176.692 176.870 -0.014 0.000 1.143 264 L CA -0.100 54.718 54.840 -0.036 0.000 0.937 264 L CB 0.224 42.264 42.059 -0.032 0.000 1.225 264 L HN 0.270 nan 8.230 nan 0.000 0.507 265 L N -0.237 120.977 121.223 -0.014 0.000 2.322 265 L HA 0.363 4.714 4.340 0.019 0.000 0.279 265 L C 0.856 177.720 176.870 -0.009 0.000 1.036 265 L CA -0.559 54.277 54.840 -0.007 0.000 0.807 265 L CB 1.706 43.763 42.059 -0.003 0.000 1.226 265 L HN 0.070 nan 8.230 nan 0.000 0.433 266 T N -1.405 113.144 114.554 -0.008 0.000 2.766 266 T HA 0.217 4.579 4.350 0.019 0.000 0.295 266 T C 1.193 175.889 174.700 -0.007 0.000 1.024 266 T CA 0.111 62.206 62.100 -0.008 0.000 1.018 266 T CB 1.068 69.931 68.868 -0.008 0.000 1.002 266 T HN 0.708 nan 8.240 nan 0.000 0.532 267 K N 0.447 120.843 120.400 -0.007 0.000 2.057 267 K HA 0.058 4.389 4.320 0.019 0.000 0.207 267 K C -0.111 176.486 176.600 -0.005 0.000 1.049 267 K CA 1.631 57.914 56.287 -0.006 0.000 0.931 267 K CB -2.375 30.121 32.500 -0.006 0.000 0.714 267 K HN 0.718 nan 8.250 nan 0.000 0.440 268 P HA -0.170 nan 4.420 nan 0.000 0.214 268 P C 1.046 178.343 177.300 -0.005 0.000 1.163 268 P CA 1.468 64.565 63.100 -0.005 0.000 0.883 268 P CB -0.040 31.656 31.700 -0.006 0.000 0.788 269 E N -0.549 119.648 120.200 -0.006 0.000 2.097 269 E HA -0.180 4.182 4.350 0.019 0.000 0.196 269 E C 2.027 178.625 176.600 -0.002 0.000 1.000 269 E CA 1.024 57.421 56.400 -0.005 0.000 0.804 269 E CB -0.662 29.036 29.700 -0.004 0.000 0.740 269 E HN 0.269 nan 8.360 nan 0.000 0.454 270 I N 0.731 121.299 120.570 -0.003 0.000 2.226 270 I HA -0.286 3.896 4.170 0.019 0.000 0.245 270 I C 2.580 178.696 176.117 -0.001 0.000 1.100 270 I CA 1.125 62.424 61.300 -0.002 0.000 1.374 270 I CB -0.299 37.699 38.000 -0.003 0.000 1.057 270 I HN 0.071 nan 8.210 nan 0.000 0.413 271 R N 0.804 121.303 120.500 -0.002 0.000 2.070 271 R HA -0.146 4.206 4.340 0.019 0.000 0.232 271 R C 2.543 178.842 176.300 -0.002 0.000 1.138 271 R CA 1.639 57.738 56.100 -0.002 0.000 0.936 271 R CB -0.578 29.721 30.300 -0.002 0.000 0.839 271 R HN 0.353 nan 8.270 nan 0.000 0.429 272 A N 1.407 124.226 122.820 -0.003 0.000 1.873 272 A HA -0.199 4.133 4.320 0.019 0.000 0.218 272 A C 2.247 179.830 177.584 -0.003 0.000 1.193 272 A CA 1.517 53.553 52.037 -0.003 0.000 0.629 272 A CB -0.801 18.197 19.000 -0.004 0.000 0.826 272 A HN 0.220 nan 8.150 nan 0.000 0.447 273 L N -0.491 120.731 121.223 -0.001 0.000 2.042 273 L HA -0.229 4.123 4.340 0.019 0.000 0.210 273 L C 2.456 179.325 176.870 -0.002 0.000 1.076 273 L CA 1.396 56.235 54.840 -0.001 0.000 0.749 273 L CB -0.631 41.430 42.059 0.003 0.000 0.893 273 L HN 0.390 nan 8.230 nan 0.000 0.432 274 N N -0.034 118.666 118.700 -0.001 0.000 2.142 274 N HA -0.163 4.589 4.740 0.019 0.000 0.186 274 N C 1.780 177.290 175.510 -0.001 0.000 1.023 274 N CA 1.171 54.221 53.050 -0.000 0.000 0.852 274 N CB -0.024 38.463 38.487 0.001 0.000 0.998 274 N HN 0.408 nan 8.380 nan 0.000 0.424 275 E N 0.680 120.879 120.200 -0.002 0.000 2.110 275 E HA -0.123 4.239 4.350 0.019 0.000 0.193 275 E C 2.036 178.634 176.600 -0.004 0.000 0.988 275 E CA 0.382 56.781 56.400 -0.002 0.000 0.804 275 E CB -0.082 29.617 29.700 -0.002 0.000 0.745 275 E HN 0.278 nan 8.360 nan 0.000 0.458 276 L N 0.417 121.637 121.223 -0.006 0.000 2.046 276 L HA -0.182 4.170 4.340 0.019 0.000 0.208 276 L C 2.346 179.207 176.870 -0.015 0.000 1.077 276 L CA 1.198 56.032 54.840 -0.011 0.000 0.747 276 L CB -0.182 41.870 42.059 -0.012 0.000 0.896 276 L HN 0.123 nan 8.230 nan 0.000 0.432 277 A N -1.263 121.549 122.820 -0.012 0.000 1.970 277 A HA -0.186 4.146 4.320 0.019 0.000 0.216 277 A C 1.921 179.502 177.584 -0.004 0.000 1.170 277 A CA 1.413 53.443 52.037 -0.013 0.000 0.645 277 A CB -0.396 18.600 19.000 -0.007 0.000 0.816 277 A HN 0.416 nan 8.150 nan 0.000 0.447 278 D N 0.176 120.575 120.400 -0.001 0.000 2.224 278 D HA -0.083 4.569 4.640 0.019 0.000 0.205 278 D C 1.721 178.023 176.300 0.004 0.000 0.965 278 D CA 1.449 55.451 54.000 0.004 0.000 0.852 278 D CB -0.017 40.786 40.800 0.004 0.000 0.947 278 D HN 0.541 nan 8.370 nan 0.000 0.494 279 S N 0.007 115.707 115.700 -0.000 0.000 2.803 279 S HA 0.124 4.605 4.470 0.019 0.000 0.228 279 S C 0.589 175.189 174.600 -0.000 0.000 0.953 279 S CA -0.323 57.877 58.200 0.000 0.000 0.983 279 S CB -0.410 62.788 63.200 -0.003 0.000 0.784 279 S HN 0.067 nan 8.310 nan 0.000 0.498 280 L N 1.744 122.968 121.223 0.001 0.000 2.307 280 L HA 0.444 4.796 4.340 0.019 0.000 0.284 280 L C 0.420 177.301 176.870 0.019 0.000 1.023 280 L CA -0.686 54.156 54.840 0.003 0.000 0.810 280 L CB 1.593 43.648 42.059 -0.008 0.000 1.231 280 L HN 0.325 nan 8.230 nan 0.000 0.423 281 E N 2.428 122.646 120.200 0.030 0.000 2.558 281 E HA 0.038 4.400 4.350 0.019 0.000 0.255 281 E C 0.100 176.732 176.600 0.054 0.000 0.968 281 E CA 0.043 56.472 56.400 0.047 0.000 0.939 281 E CB 0.684 30.424 29.700 0.068 0.000 0.921 281 E HN 0.644 nan 8.360 nan 0.000 0.477 282 E N 4.082 124.314 120.200 0.052 0.000 2.452 282 E HA 0.158 4.520 4.350 0.019 0.000 0.261 282 E C -0.270 176.370 176.600 0.067 0.000 0.987 282 E CA 0.481 56.913 56.400 0.054 0.000 0.926 282 E CB -0.008 29.721 29.700 0.048 0.000 0.934 282 E HN 0.715 nan 8.360 nan 0.000 0.452 283 N N -0.470 118.269 118.700 0.064 0.000 5.138 283 N HA 0.102 4.854 4.740 0.019 0.000 0.189 283 N C -2.835 172.714 175.510 0.065 0.000 1.111 283 N CA -0.534 52.556 53.050 0.067 0.000 0.891 283 N CB 0.606 39.140 38.487 0.078 0.000 1.562 283 N HN 0.077 nan 8.380 nan 0.000 0.570 284 P HA -0.150 nan 4.420 nan 0.000 0.216 284 P C 0.866 178.216 177.300 0.085 0.000 1.154 284 P CA 2.144 65.279 63.100 0.060 0.000 0.865 284 P CB 0.040 31.766 31.700 0.043 0.000 0.789 285 T N -1.406 113.207 114.554 0.099 0.000 2.915 285 T HA -0.067 4.294 4.350 0.019 0.000 0.269 285 T C 1.519 176.343 174.700 0.207 0.000 1.071 285 T CA 1.278 63.478 62.100 0.166 0.000 1.132 285 T CB -0.701 68.266 68.868 0.165 0.000 0.878 285 T HN 0.108 nan 8.240 nan 0.000 0.479 286 N N 0.694 119.467 118.700 0.122 0.000 2.376 286 N HA 0.024 4.775 4.740 0.019 0.000 0.177 286 N C 1.899 177.456 175.510 0.078 0.000 1.024 286 N CA 0.381 53.478 53.050 0.077 0.000 0.893 286 N CB -0.105 38.411 38.487 0.049 0.000 0.980 286 N HN 0.256 nan 8.380 nan 0.000 0.439 287 E N 1.361 121.613 120.200 0.087 0.000 2.049 287 E HA -0.196 4.166 4.350 0.019 0.000 0.198 287 E C 1.553 178.214 176.600 0.100 0.000 1.007 287 E CA 1.185 57.631 56.400 0.076 0.000 0.809 287 E CB -0.069 29.672 29.700 0.068 0.000 0.749 287 E HN 0.486 nan 8.360 nan 0.000 0.450 288 K N 0.380 120.874 120.400 0.156 0.000 2.026 288 K HA -0.137 4.194 4.320 0.019 0.000 0.208 288 K C 2.332 179.104 176.600 0.287 0.000 1.048 288 K CA 0.787 57.208 56.287 0.223 0.000 0.929 288 K CB -0.434 32.221 32.500 0.258 0.000 0.713 288 K HN 0.033 nan 8.250 nan 0.000 0.439 289 L N 1.586 122.966 121.223 0.262 0.000 2.079 289 L HA -0.159 4.192 4.340 0.019 0.000 0.210 289 L C 2.289 179.120 176.870 -0.065 0.000 1.081 289 L CA 1.687 56.465 54.840 -0.104 0.000 0.752 289 L CB -0.638 41.196 42.059 -0.375 0.000 0.896 289 L HN 0.182 nan 8.230 nan 0.000 0.433 290 A N -0.589 122.231 122.820 0.000 0.000 1.855 290 A HA -0.261 4.071 4.320 0.019 0.000 0.215 290 A C 2.434 180.029 177.584 0.019 0.000 1.191 290 A CA 1.844 53.881 52.037 -0.000 0.000 0.613 290 A CB -0.665 18.344 19.000 0.015 0.000 0.829 290 A HN 0.451 nan 8.150 nan 0.000 0.442 291 K N -0.408 120.020 120.400 0.047 0.000 2.113 291 K HA -0.161 4.171 4.320 0.019 0.000 0.208 291 K C 1.900 178.531 176.600 0.052 0.000 1.047 291 K CA 1.522 57.839 56.287 0.050 0.000 0.928 291 K CB -0.282 32.257 32.500 0.065 0.000 0.716 291 K HN 0.411 nan 8.250 nan 0.000 0.446 292 A N 0.213 123.074 122.820 0.069 0.000 2.072 292 A HA 0.065 4.397 4.320 0.019 0.000 0.216 292 A C 1.927 179.531 177.584 0.033 0.000 1.156 292 A CA 0.528 52.606 52.037 0.070 0.000 0.701 292 A CB -0.203 18.873 19.000 0.128 0.000 0.816 292 A HN 0.291 nan 8.150 nan 0.000 0.458 293 I N -0.666 119.905 120.570 0.003 0.000 2.286 293 I HA -0.189 3.993 4.170 0.019 0.000 0.245 293 I C 2.456 178.576 176.117 0.005 0.000 1.104 293 I CA 0.823 62.117 61.300 -0.010 0.000 1.397 293 I CB -0.236 37.741 38.000 -0.039 0.000 1.072 293 I HN 0.277 nan 8.210 nan 0.000 0.417 294 R N 0.547 121.051 120.500 0.007 0.000 2.249 294 R HA -0.113 4.239 4.340 0.019 0.000 0.230 294 R C 1.905 178.212 176.300 0.011 0.000 1.121 294 R CA 1.208 57.313 56.100 0.008 0.000 0.997 294 R CB -0.437 29.869 30.300 0.010 0.000 0.867 294 R HN 0.399 nan 8.270 nan 0.000 0.465 295 G N -1.192 107.619 108.800 0.018 0.000 3.088 295 G HA2 0.237 4.209 3.960 0.019 0.000 0.217 295 G HA3 0.237 4.209 3.960 0.019 0.000 0.217 295 G C 0.851 175.767 174.900 0.027 0.000 1.159 295 G CA 0.335 45.447 45.100 0.020 0.000 0.760 295 G HN 0.400 nan 8.290 nan 0.000 0.550 296 G N -1.344 107.474 108.800 0.030 0.000 2.175 296 G HA2 -0.225 3.747 3.960 0.019 0.000 0.244 296 G HA3 -0.225 3.747 3.960 0.019 0.000 0.244 296 G C 0.116 175.055 174.900 0.065 0.000 0.982 296 G CA 0.267 45.393 45.100 0.044 0.000 0.641 296 G HN 0.796 nan 8.290 nan 0.000 0.527 297 V N 0.310 120.260 119.914 0.059 0.000 2.864 297 V HA 0.944 5.075 4.120 0.019 0.000 0.314 297 V C 0.364 176.476 176.094 0.030 0.000 1.073 297 V CA -0.170 62.167 62.300 0.062 0.000 0.956 297 V CB 1.826 33.698 31.823 0.081 0.000 1.023 297 V HN 1.402 nan 8.190 nan 0.000 0.435 298 A N 2.818 125.637 122.820 -0.002 0.000 2.498 298 A HA 0.982 5.314 4.320 0.019 0.000 0.298 298 A C -1.078 176.492 177.584 -0.024 0.000 1.075 298 A CA -0.524 51.468 52.037 -0.075 0.000 0.714 298 A CB 1.671 20.588 19.000 -0.138 0.000 1.299 298 A HN 1.019 nan 8.150 nan 0.000 0.407 299 F N -0.312 119.611 119.950 -0.044 0.000 2.483 299 F HA 0.850 5.389 4.527 0.020 0.000 0.329 299 F C -0.267 175.497 175.800 -0.061 0.000 1.064 299 F CA -0.745 57.226 58.000 -0.048 0.000 0.986 299 F CB 1.156 40.144 39.000 -0.019 0.000 1.218 299 F HN 0.798 nan 8.300 nan 0.000 0.484 300 H N 1.667 120.794 119.070 0.095 0.000 3.149 300 H HA 0.484 5.052 4.556 0.019 0.000 0.334 300 H C -1.873 173.489 175.328 0.057 0.000 1.000 300 H CA -0.747 55.267 56.048 -0.058 0.000 1.415 300 H CB 0.970 30.672 29.762 -0.100 0.000 1.819 300 H HN 1.054 nan 8.280 nan 0.000 0.486 301 H N 2.135 121.529 119.070 0.540 0.000 3.014 301 H HA 0.464 5.031 4.556 0.019 0.000 0.337 301 H C 0.011 175.499 175.328 0.266 0.000 1.320 301 H CA -0.341 55.915 56.048 0.347 0.000 1.128 301 H CB 0.787 30.672 29.762 0.205 0.000 1.862 301 H HN 0.489 nan 8.280 nan 0.000 0.536 302 A N 0.591 123.667 122.820 0.425 0.000 2.186 302 A HA -0.011 4.320 4.320 0.019 0.000 0.219 302 A C 2.166 179.923 177.584 0.288 0.000 1.159 302 A CA 1.696 53.901 52.037 0.280 0.000 0.680 302 A CB -1.509 17.597 19.000 0.177 0.000 0.787 302 A HN 0.941 nan 8.150 nan 0.000 0.467 303 G N -0.842 108.275 108.800 0.528 0.000 2.471 303 G HA2 0.158 4.129 3.960 0.019 0.000 0.219 303 G HA3 0.158 4.129 3.960 0.019 0.000 0.219 303 G C 0.621 175.710 174.900 0.315 0.000 1.125 303 G CA 0.122 45.431 45.100 0.348 0.000 0.775 303 G HN 0.440 nan 8.290 nan 0.000 0.548 304 L N 0.963 122.355 121.223 0.281 0.000 2.334 304 L HA 0.488 4.840 4.340 0.019 0.000 0.277 304 L C 1.353 178.277 176.870 0.091 0.000 1.075 304 L CA -0.889 54.014 54.840 0.106 0.000 0.804 304 L CB 1.335 43.361 42.059 -0.056 0.000 1.174 304 L HN 0.135 nan 8.230 nan 0.000 0.438 305 G N 0.970 109.846 108.800 0.125 0.000 2.690 305 G HA2 -0.029 3.942 3.960 0.019 0.000 0.239 305 G HA3 -0.029 3.942 3.960 0.019 0.000 0.239 305 G C 0.722 175.696 174.900 0.122 0.000 1.233 305 G CA -0.221 45.033 45.100 0.257 0.000 0.847 305 G HN 0.721 nan 8.290 nan 0.000 0.588 306 R N -0.077 120.495 120.500 0.121 0.000 2.092 306 R HA -0.048 4.304 4.340 0.019 0.000 0.231 306 R C 2.020 178.314 176.300 -0.008 0.000 1.119 306 R CA 1.846 57.967 56.100 0.034 0.000 0.970 306 R CB -0.688 29.631 30.300 0.032 0.000 0.864 306 R HN 0.661 nan 8.270 nan 0.000 0.440 307 D N -0.139 120.262 120.400 0.003 0.000 2.133 307 D HA -0.157 4.495 4.640 0.019 0.000 0.195 307 D C 1.597 177.874 176.300 -0.038 0.000 0.997 307 D CA 1.667 55.657 54.000 -0.016 0.000 0.840 307 D CB -0.032 40.763 40.800 -0.007 0.000 0.947 307 D HN 0.321 nan 8.370 nan 0.000 0.452 308 E N -0.216 119.957 120.200 -0.044 0.000 2.152 308 E HA 0.004 4.365 4.350 0.019 0.000 0.192 308 E C 2.029 178.522 176.600 -0.178 0.000 0.983 308 E CA 0.480 56.821 56.400 -0.098 0.000 0.818 308 E CB 0.057 29.700 29.700 -0.095 0.000 0.758 308 E HN 0.152 nan 8.360 nan 0.000 0.467 309 R N -0.003 120.366 120.500 -0.218 0.000 2.092 309 R HA -0.072 4.280 4.340 0.019 0.000 0.231 309 R C 2.134 178.284 176.300 -0.249 0.000 1.119 309 R CA 1.113 56.971 56.100 -0.405 0.000 0.970 309 R CB -0.214 29.812 30.300 -0.455 0.000 0.864 309 R HN 0.081 nan 8.270 nan 0.000 0.440 310 V N 1.213 121.053 119.914 -0.124 0.000 2.358 310 V HA -0.226 3.905 4.120 0.019 0.000 0.246 310 V C 2.173 178.243 176.094 -0.041 0.000 1.047 310 V CA 1.371 63.640 62.300 -0.052 0.000 1.035 310 V CB -0.512 31.297 31.823 -0.023 0.000 0.658 310 V HN 0.265 nan 8.190 nan 0.000 0.452 311 L N 0.208 121.396 121.223 -0.058 0.000 2.042 311 L HA -0.143 4.209 4.340 0.019 0.000 0.210 311 L C 2.331 179.178 176.870 -0.039 0.000 1.076 311 L CA 1.952 56.766 54.840 -0.044 0.000 0.749 311 L CB -0.576 41.448 42.059 -0.058 0.000 0.893 311 L HN 0.128 nan 8.230 nan 0.000 0.432 312 V N -0.419 119.449 119.914 -0.078 0.000 2.323 312 V HA -0.246 3.886 4.120 0.019 0.000 0.244 312 V C 2.489 178.607 176.094 0.040 0.000 1.041 312 V CA 1.862 64.129 62.300 -0.054 0.000 1.025 312 V CB -0.553 31.185 31.823 -0.143 0.000 0.656 312 V HN 0.484 nan 8.190 nan 0.000 0.451 313 E N 0.366 120.586 120.200 0.032 0.000 2.049 313 E HA -0.278 4.084 4.350 0.019 0.000 0.198 313 E C 2.256 178.933 176.600 0.129 0.000 1.007 313 E CA 1.895 58.361 56.400 0.110 0.000 0.809 313 E CB -0.181 29.572 29.700 0.088 0.000 0.749 313 E HN 0.842 nan 8.360 nan 0.000 0.450 314 E N 0.620 120.863 120.200 0.072 0.000 2.046 314 E HA -0.150 4.212 4.350 0.019 0.000 0.190 314 E C 1.782 178.415 176.600 0.055 0.000 0.982 314 E CA 0.824 57.258 56.400 0.057 0.000 0.800 314 E CB -0.342 29.375 29.700 0.030 0.000 0.756 314 E HN 0.141 nan 8.360 nan 0.000 0.449 315 N N 0.188 118.920 118.700 0.054 0.000 2.430 315 N HA -0.125 4.626 4.740 0.019 0.000 0.186 315 N C 1.411 176.968 175.510 0.078 0.000 1.032 315 N CA 0.838 53.915 53.050 0.045 0.000 0.893 315 N CB -0.234 38.273 38.487 0.033 0.000 0.957 315 N HN 0.192 nan 8.380 nan 0.000 0.442 316 F N 1.841 121.775 119.950 -0.027 0.000 2.293 316 F HA 0.066 4.604 4.527 0.019 0.000 0.297 316 F C 2.471 178.247 175.800 -0.040 0.000 1.089 316 F CA 0.637 58.619 58.000 -0.029 0.000 1.377 316 F CB -0.086 38.903 39.000 -0.017 0.000 1.051 316 F HN -0.149 nan 8.300 nan 0.000 0.511 317 R N 0.743 121.204 120.500 -0.066 0.000 2.066 317 R HA -0.099 4.253 4.340 0.019 0.000 0.232 317 R C 2.036 178.225 176.300 -0.185 0.000 1.131 317 R CA 1.452 57.462 56.100 -0.150 0.000 0.955 317 R CB -0.252 30.037 30.300 -0.019 0.000 0.851 317 R HN 0.135 nan 8.270 nan 0.000 0.432 318 K N -0.490 119.849 120.400 -0.102 0.000 2.585 318 K HA -0.035 4.296 4.320 0.019 0.000 0.194 318 K C 0.777 177.303 176.600 -0.123 0.000 1.037 318 K CA 0.755 56.990 56.287 -0.085 0.000 0.964 318 K CB 0.015 32.491 32.500 -0.039 0.000 0.787 318 K HN 0.594 nan 8.250 nan 0.000 0.488 319 G N 1.257 109.936 108.800 -0.203 0.000 2.153 319 G HA2 -0.282 3.690 3.960 0.019 0.000 0.252 319 G HA3 -0.282 3.690 3.960 0.019 0.000 0.252 319 G C 0.708 175.542 174.900 -0.109 0.000 0.994 319 G CA 0.492 45.464 45.100 -0.213 0.000 0.698 319 G HN 0.319 nan 8.290 nan 0.000 0.521 320 I N -0.151 120.382 120.570 -0.062 0.000 2.296 320 I HA 0.197 4.378 4.170 0.019 0.000 0.242 320 I C 1.660 177.786 176.117 0.015 0.000 1.087 320 I CA 0.499 61.787 61.300 -0.019 0.000 1.393 320 I CB -0.099 37.896 38.000 -0.008 0.000 1.093 320 I HN 0.116 nan 8.210 nan 0.000 0.421 321 I N 2.596 123.200 120.570 0.057 0.000 2.436 321 I HA -0.013 4.169 4.170 0.019 0.000 0.289 321 I C 1.154 177.392 176.117 0.200 0.000 1.083 321 I CA -0.004 61.375 61.300 0.132 0.000 1.372 321 I CB 0.785 38.897 38.000 0.186 0.000 1.408 321 I HN 0.146 nan 8.210 nan 0.000 0.516 322 K N 5.051 125.547 120.400 0.160 0.000 2.228 322 K HA 0.190 4.522 4.320 0.019 0.000 0.202 322 K C 0.416 177.217 176.600 0.335 0.000 1.051 322 K CA 0.456 56.846 56.287 0.172 0.000 0.960 322 K CB 0.134 32.700 32.500 0.110 0.000 0.743 322 K HN 0.699 nan 8.250 nan 0.000 0.458 323 A N 0.169 123.163 122.820 0.289 0.000 2.556 323 A HA 0.640 4.971 4.320 0.019 0.000 0.294 323 A C -1.333 176.213 177.584 -0.064 0.000 1.091 323 A CA -0.634 51.511 52.037 0.179 0.000 0.704 323 A CB 1.987 21.048 19.000 0.103 0.000 1.300 323 A HN -0.132 nan 8.150 nan 0.000 0.406 324 V N 1.178 120.894 119.914 -0.329 0.000 2.569 324 V HA 0.432 4.563 4.120 0.019 0.000 0.301 324 V C -0.726 175.190 176.094 -0.296 0.000 1.044 324 V CA -0.551 61.521 62.300 -0.381 0.000 0.874 324 V CB 1.704 33.099 31.823 -0.714 0.000 1.002 324 V HN 0.725 nan 8.190 nan 0.000 0.424 325 V N 4.234 124.072 119.914 -0.126 0.000 2.364 325 V HA 0.859 4.990 4.120 0.019 0.000 0.272 325 V C 0.428 176.481 176.094 -0.067 0.000 1.036 325 V CA -0.093 62.155 62.300 -0.086 0.000 0.880 325 V CB 1.191 33.047 31.823 0.056 0.000 0.991 325 V HN 1.025 nan 8.190 nan 0.000 0.460 326 A N 3.666 126.369 122.820 -0.195 0.000 2.454 326 A HA 0.910 5.242 4.320 0.019 0.000 0.302 326 A C 0.045 177.658 177.584 0.050 0.000 1.079 326 A CA -0.460 51.507 52.037 -0.116 0.000 0.731 326 A CB 1.885 20.681 19.000 -0.339 0.000 1.299 326 A HN 0.814 nan 8.150 nan 0.000 0.413 327 T N -0.450 114.178 114.554 0.123 0.000 2.902 327 T HA 0.557 4.919 4.350 0.019 0.000 0.280 327 T C -2.021 172.783 174.700 0.173 0.000 0.992 327 T CA -1.417 60.778 62.100 0.159 0.000 1.015 327 T CB 1.025 69.980 68.868 0.146 0.000 1.044 327 T HN 0.251 nan 8.240 nan 0.000 0.520 328 P HA -0.042 nan 4.420 nan 0.000 0.208 328 P C 0.562 177.887 177.300 0.041 0.000 1.195 328 P CA 1.152 64.269 63.100 0.027 0.000 0.927 328 P CB -0.716 30.956 31.700 -0.046 0.000 0.778 329 T N -0.293 114.290 114.554 0.048 0.000 2.704 329 T HA 0.050 4.412 4.350 0.019 0.000 0.271 329 T C 0.252 175.008 174.700 0.093 0.000 1.000 329 T CA -0.162 61.976 62.100 0.064 0.000 1.216 329 T CB -1.216 67.693 68.868 0.068 0.000 0.961 329 T HN 0.035 nan 8.240 nan 0.000 0.515 330 L N 1.826 123.104 121.223 0.091 0.000 3.472 330 L HA -0.163 4.189 4.340 0.019 0.000 0.596 330 L C 0.869 177.794 176.870 0.092 0.000 1.310 330 L CA 0.988 55.905 54.840 0.129 0.000 0.966 330 L CB -2.589 39.579 42.059 0.181 0.000 1.626 330 L HN 1.141 nan 8.230 nan 0.000 0.865 338 A N 0.190 123.115 122.820 0.175 0.000 2.572 338 A HA 0.624 4.956 4.320 0.019 0.000 0.295 338 A C 0.152 177.842 177.584 0.177 0.000 1.072 338 A CA -0.658 51.492 52.037 0.188 0.000 0.691 338 A CB 0.734 19.927 19.000 0.322 0.000 1.291 338 A HN 0.511 nan 8.150 nan 0.000 0.404 339 F N 1.282 121.259 119.950 0.045 0.000 2.043 339 F HA -0.067 4.471 4.527 0.019 0.000 0.297 339 F C 0.938 176.772 175.800 0.058 0.000 1.118 339 F CA 2.049 60.075 58.000 0.042 0.000 1.202 339 F CB -0.015 39.005 39.000 0.034 0.000 0.965 339 F HN 0.554 nan 8.300 nan 0.000 0.482 340 R N -0.014 120.335 120.500 -0.251 0.000 2.494 340 R HA 0.553 4.905 4.340 0.019 0.000 0.305 340 R C -1.538 174.705 176.300 -0.095 0.000 0.959 340 R CA -0.821 55.077 56.100 -0.337 0.000 0.864 340 R CB 2.346 32.426 30.300 -0.366 0.000 1.159 340 R HN -0.101 nan 8.270 nan 0.000 0.446 341 V N 5.777 125.648 119.914 -0.072 0.000 2.334 341 V HA 0.399 4.531 4.120 0.019 0.000 0.281 341 V C -0.138 175.953 176.094 -0.005 0.000 1.016 341 V CA -0.549 61.755 62.300 0.006 0.000 0.832 341 V CB 1.461 33.334 31.823 0.083 0.000 0.999 341 V HN 0.627 nan 8.190 nan 0.000 0.439 342 I N 5.958 126.515 120.570 -0.021 0.000 2.339 342 I HA 0.445 4.627 4.170 0.019 0.000 0.290 342 I C -0.217 175.878 176.117 -0.035 0.000 0.994 342 I CA -0.347 60.919 61.300 -0.056 0.000 1.191 342 I CB 1.694 39.659 38.000 -0.059 0.000 1.343 342 I HN 0.425 nan 8.210 nan 0.000 0.458 343 I N 6.755 127.289 120.570 -0.059 0.000 2.282 343 I HA 0.174 4.355 4.170 0.019 0.000 0.290 343 I C 1.325 177.319 176.117 -0.206 0.000 1.090 343 I CA -0.287 60.975 61.300 -0.064 0.000 1.231 343 I CB 0.834 38.754 38.000 -0.134 0.000 1.434 343 I HN 0.620 nan 8.210 nan 0.000 0.487 344 R N 3.533 123.857 120.500 -0.293 0.000 2.148 344 R HA -0.005 4.346 4.340 0.019 0.000 0.223 344 R C -0.260 175.875 176.300 -0.274 0.000 1.088 344 R CA 1.319 57.131 56.100 -0.481 0.000 0.985 344 R CB 0.020 29.907 30.300 -0.688 0.000 0.880 344 R HN 0.452 nan 8.270 nan 0.000 0.451 345 D N -0.583 119.724 120.400 -0.155 0.000 2.649 345 D HA 0.175 4.826 4.640 0.019 0.000 0.249 345 D C 0.426 176.675 176.300 -0.085 0.000 1.112 345 D CA -0.344 53.617 54.000 -0.065 0.000 0.850 345 D CB 1.726 42.515 40.800 -0.018 0.000 1.399 345 D HN 0.254 nan 8.370 nan 0.000 0.503 346 I N -3.235 117.308 120.570 -0.045 0.000 4.082 346 I HA 0.419 4.600 4.170 0.019 0.000 0.337 346 I C -0.662 175.288 176.117 -0.279 0.000 1.352 346 I CA -0.301 60.877 61.300 -0.202 0.000 1.097 346 I CB 0.383 38.256 38.000 -0.211 0.000 1.048 346 I HN 0.021 nan 8.210 nan 0.000 0.393 347 W N 3.052 124.346 121.300 -0.010 0.000 2.702 347 W HA 0.618 5.290 4.660 0.020 0.000 0.331 347 W C -0.276 176.241 176.519 -0.004 0.000 1.049 347 W CA -0.586 56.763 57.345 0.007 0.000 1.230 347 W CB 1.397 30.862 29.460 0.007 0.000 1.408 347 W HN -0.020 nan 8.180 nan 0.000 0.492 348 R N 0.703 121.340 120.500 0.228 0.000 2.744 348 R HA 0.744 5.096 4.340 0.019 0.000 0.279 348 R C -0.737 175.651 176.300 0.147 0.000 0.977 348 R CA -0.978 55.205 56.100 0.139 0.000 0.906 348 R CB 0.104 30.445 30.300 0.067 0.000 1.197 348 R HN 0.496 nan 8.270 nan 0.000 0.463 349 Y N 0.490 120.853 120.300 0.105 0.000 2.569 349 Y HA 0.506 5.068 4.550 0.019 0.000 0.332 349 Y C 0.301 176.260 175.900 0.099 0.000 1.120 349 Y CA -0.056 58.099 58.100 0.090 0.000 1.416 349 Y CB -0.144 38.348 38.460 0.053 0.000 1.210 349 Y HN 1.029 nan 8.280 nan 0.000 0.528 350 S N 1.112 116.890 115.700 0.131 0.000 2.677 350 S HA 0.551 5.033 4.470 0.019 0.000 0.304 350 S C 1.155 175.849 174.600 0.157 0.000 1.108 350 S CA -0.122 58.188 58.200 0.183 0.000 0.944 350 S CB 0.385 63.749 63.200 0.274 0.000 1.127 350 S HN 1.390 nan 8.310 nan 0.000 0.511 351 D N -0.229 120.258 120.400 0.144 0.000 2.348 351 D HA 0.232 4.884 4.640 0.019 0.000 0.216 351 D C 0.797 176.997 176.300 -0.166 0.000 0.970 351 D CA 0.987 54.946 54.000 -0.069 0.000 0.889 351 D CB -0.580 40.098 40.800 -0.205 0.000 0.912 351 D HN 0.498 nan 8.370 nan 0.000 0.524 352 F N -0.158 119.799 119.950 0.013 0.000 2.721 352 F HA 0.476 5.015 4.527 0.019 0.000 0.301 352 F C 1.536 177.349 175.800 0.023 0.000 1.096 352 F CA 0.385 58.394 58.000 0.015 0.000 1.308 352 F CB 0.743 39.756 39.000 0.021 0.000 1.086 352 F HN 0.378 nan 8.300 nan 0.000 0.587 353 G N 0.937 109.856 108.800 0.198 0.000 2.784 353 G HA2 -0.097 3.875 3.960 0.019 0.000 0.686 353 G HA3 -0.097 3.875 3.960 0.019 0.000 0.686 353 G C -0.305 174.690 174.900 0.158 0.000 1.156 353 G CA -1.369 43.809 45.100 0.130 0.000 0.757 353 G HN -0.105 nan 8.290 nan 0.000 0.642 354 M N 0.993 120.670 119.600 0.128 0.000 2.167 354 M HA 0.021 4.512 4.480 0.019 0.000 0.386 354 M C 0.901 177.379 176.300 0.296 0.000 1.170 354 M CA 1.685 57.094 55.300 0.182 0.000 0.808 354 M CB -1.150 31.518 32.600 0.113 0.000 1.822 354 M HN 0.875 nan 8.290 nan 0.000 0.501 355 E N 1.993 122.415 120.200 0.369 0.000 2.430 355 E HA 0.643 5.005 4.350 0.019 0.000 0.279 355 E C -1.266 175.392 176.600 0.096 0.000 1.003 355 E CA -1.306 55.286 56.400 0.320 0.000 0.801 355 E CB 1.353 31.118 29.700 0.107 0.000 1.313 355 E HN 0.623 nan 8.360 nan 0.000 0.459 356 R N 1.119 121.386 120.500 -0.388 0.000 2.490 356 R HA 0.401 4.752 4.340 0.019 0.000 0.280 356 R C 0.131 176.303 176.300 -0.213 0.000 1.077 356 R CA -0.597 55.113 56.100 -0.650 0.000 1.065 356 R CB 0.257 30.053 30.300 -0.840 0.000 1.003 356 R HN 0.436 nan 8.270 nan 0.000 0.470 357 I N 3.260 123.739 120.570 -0.150 0.000 2.710 357 I HA 0.021 4.202 4.170 0.019 0.000 0.286 357 I C -1.789 174.344 176.117 0.026 0.000 1.181 357 I CA -1.776 59.475 61.300 -0.082 0.000 1.430 357 I CB 0.378 38.282 38.000 -0.160 0.000 1.367 357 I HN 0.279 nan 8.210 nan 0.000 0.577 358 P HA 0.052 nan 4.420 nan 0.000 0.265 358 P C 0.881 178.184 177.300 0.005 0.000 1.193 358 P CA 0.115 63.210 63.100 -0.008 0.000 0.765 358 P CB 0.572 32.243 31.700 -0.049 0.000 0.823 359 I N 2.517 123.059 120.570 -0.047 0.000 2.145 359 I HA -0.310 3.872 4.170 0.019 0.000 0.244 359 I C 2.151 178.061 176.117 -0.344 0.000 1.075 359 I CA 1.696 62.888 61.300 -0.180 0.000 1.332 359 I CB -0.446 37.290 38.000 -0.440 0.000 1.033 359 I HN 0.442 nan 8.210 nan 0.000 0.410 360 I N 0.441 120.831 120.570 -0.300 0.000 2.194 360 I HA -0.356 3.825 4.170 0.019 0.000 0.246 360 I C 2.645 178.647 176.117 -0.192 0.000 1.093 360 I CA 1.759 62.892 61.300 -0.277 0.000 1.355 360 I CB -0.344 37.548 38.000 -0.180 0.000 1.046 360 I HN 0.342 nan 8.210 nan 0.000 0.413 361 E N 0.444 120.558 120.200 -0.143 0.000 2.107 361 E HA -0.152 4.210 4.350 0.019 0.000 0.191 361 E C 2.276 178.769 176.600 -0.178 0.000 0.982 361 E CA 0.919 57.235 56.400 -0.140 0.000 0.809 361 E CB 0.232 29.855 29.700 -0.129 0.000 0.756 361 E HN 0.263 nan 8.360 nan 0.000 0.459 362 V N 0.899 120.713 119.914 -0.167 0.000 2.490 362 V HA -0.246 3.885 4.120 0.019 0.000 0.250 362 V C 1.945 178.016 176.094 -0.039 0.000 1.061 362 V CA 1.996 64.179 62.300 -0.194 0.000 1.064 362 V CB -0.657 30.987 31.823 -0.299 0.000 0.670 362 V HN 0.425 nan 8.190 nan 0.000 0.461 363 H N -0.685 118.292 119.070 -0.156 0.000 2.389 363 H HA -0.111 4.456 4.556 0.019 0.000 0.299 363 H C 2.487 177.733 175.328 -0.136 0.000 1.081 363 H CA 1.248 57.214 56.048 -0.135 0.000 1.345 363 H CB 0.210 29.899 29.762 -0.121 0.000 1.393 363 H HN 0.478 nan 8.280 nan 0.000 0.520 364 Q N 0.315 120.103 119.800 -0.021 0.000 2.124 364 Q HA -0.138 4.214 4.340 0.019 0.000 0.202 364 Q C 2.330 178.273 176.000 -0.094 0.000 0.977 364 Q CA 1.090 56.855 55.803 -0.063 0.000 0.850 364 Q CB 0.010 28.699 28.738 -0.082 0.000 0.901 364 Q HN 0.559 nan 8.270 nan 0.000 0.429 365 M N 0.266 119.749 119.600 -0.195 0.000 2.086 365 M HA -0.165 4.326 4.480 0.019 0.000 0.261 365 M C 2.205 178.468 176.300 -0.060 0.000 1.067 365 M CA 1.403 56.536 55.300 -0.279 0.000 1.116 365 M CB -0.349 31.882 32.600 -0.616 0.000 1.348 365 M HN 0.159 nan 8.290 nan 0.000 0.407 366 L N -0.318 120.858 121.223 -0.077 0.000 2.131 366 L HA -0.104 4.248 4.340 0.019 0.000 0.210 366 L C 2.639 179.489 176.870 -0.033 0.000 1.092 366 L CA 1.094 55.906 54.840 -0.048 0.000 0.759 366 L CB -1.278 40.724 42.059 -0.096 0.000 0.903 366 L HN 0.439 nan 8.230 nan 0.000 0.435 367 G N 0.071 108.849 108.800 -0.036 0.000 2.479 367 G HA2 -0.230 3.742 3.960 0.019 0.000 0.220 367 G HA3 -0.230 3.742 3.960 0.019 0.000 0.220 367 G C 1.568 176.476 174.900 0.013 0.000 1.115 367 G CA 0.201 45.287 45.100 -0.024 0.000 0.757 367 G HN 0.361 nan 8.290 nan 0.000 0.560 368 R N 0.431 120.960 120.500 0.048 0.000 2.328 368 R HA 0.326 4.678 4.340 0.019 0.000 0.206 368 R C 0.664 177.013 176.300 0.083 0.000 0.990 368 R CA 0.118 56.271 56.100 0.088 0.000 1.085 368 R CB 0.156 30.542 30.300 0.144 0.000 0.998 368 R HN 0.267 nan 8.270 nan 0.000 0.484 369 A N 1.016 123.861 122.820 0.042 0.000 2.274 369 A HA 0.589 4.921 4.320 0.019 0.000 0.309 369 A C 0.351 177.952 177.584 0.029 0.000 1.226 369 A CA -0.190 51.862 52.037 0.025 0.000 0.853 369 A CB 0.867 19.851 19.000 -0.026 0.000 1.146 369 A HN 0.300 nan 8.150 nan 0.000 0.518 370 G N 2.532 111.378 108.800 0.078 0.000 2.662 370 G HA2 -0.090 3.882 3.960 0.019 0.000 0.558 370 G HA3 -0.090 3.882 3.960 0.019 0.000 0.558 370 G C -0.447 174.518 174.900 0.109 0.000 1.081 370 G CA -0.862 44.298 45.100 0.099 0.000 1.261 370 G HN 0.956 nan 8.290 nan 0.000 0.559 371 R N 2.980 123.575 120.500 0.157 0.000 2.343 371 R HA 0.265 4.617 4.340 0.019 0.000 0.326 371 R C -1.189 175.239 176.300 0.215 0.000 1.055 371 R CA -1.228 54.994 56.100 0.204 0.000 0.961 371 R CB 0.762 31.212 30.300 0.250 0.000 0.978 371 R HN 0.222 nan 8.270 nan 0.000 0.443 372 P HA -0.336 nan 4.420 nan 0.000 0.219 372 P C 1.061 178.400 177.300 0.066 0.000 1.149 372 P CA 2.141 65.308 63.100 0.112 0.000 0.835 372 P CB 0.292 32.086 31.700 0.157 0.000 0.778 373 K N -1.937 118.477 120.400 0.024 0.000 2.225 373 K HA 0.028 4.360 4.320 0.019 0.000 0.204 373 K C 1.930 178.391 176.600 -0.232 0.000 1.047 373 K CA 0.824 56.986 56.287 -0.208 0.000 0.970 373 K CB -1.682 30.508 32.500 -0.516 0.000 0.939 373 K HN 0.115 nan 8.250 nan 0.000 0.472 374 Y N 2.356 122.659 120.300 0.004 0.000 2.439 374 Y HA 0.113 4.674 4.550 0.019 0.000 0.292 374 Y C 0.141 176.026 175.900 -0.025 0.000 1.130 374 Y CA -0.096 57.994 58.100 -0.016 0.000 1.254 374 Y CB 0.069 38.514 38.460 -0.025 0.000 1.000 374 Y HN 0.241 nan 8.280 nan 0.000 0.554 375 D N 0.097 120.588 120.400 0.151 0.000 2.457 375 D HA 0.110 4.762 4.640 0.019 0.000 0.240 375 D C 0.414 176.744 176.300 0.050 0.000 1.041 375 D CA -0.398 53.655 54.000 0.089 0.000 0.861 375 D CB 1.421 42.320 40.800 0.164 0.000 1.394 375 D HN 0.435 nan 8.370 nan 0.000 0.473 376 E N -0.402 119.812 120.200 0.024 0.000 2.479 376 E HA 0.261 4.623 4.350 0.019 0.000 0.193 376 E C 0.171 176.775 176.600 0.007 0.000 1.049 376 E CA -0.167 56.235 56.400 0.004 0.000 0.870 376 E CB 0.995 30.688 29.700 -0.010 0.000 0.944 376 E HN 0.079 nan 8.360 nan 0.000 0.492 377 V N -0.368 119.579 119.914 0.055 0.000 3.106 377 V HA 0.541 4.673 4.120 0.019 0.000 0.280 377 V C -1.405 174.777 176.094 0.145 0.000 1.525 377 V CA -0.276 62.053 62.300 0.049 0.000 0.999 377 V CB 1.882 33.713 31.823 0.013 0.000 1.186 377 V HN 0.195 nan 8.190 nan 0.000 0.448 378 G N 2.855 111.678 108.800 0.038 0.000 2.452 378 G HA2 0.761 4.733 3.960 0.019 0.000 0.324 378 G HA3 0.761 4.733 3.960 0.019 0.000 0.324 378 G C -1.248 173.583 174.900 -0.115 0.000 1.214 378 G CA -0.485 44.617 45.100 0.004 0.000 0.947 378 G HN 0.756 nan 8.290 nan 0.000 0.478 379 E N 0.437 120.485 120.200 -0.254 0.000 2.176 379 E HA 0.519 4.881 4.350 0.019 0.000 0.267 379 E C -0.284 176.282 176.600 -0.056 0.000 0.893 379 E CA -0.844 55.466 56.400 -0.151 0.000 0.761 379 E CB 2.363 31.937 29.700 -0.210 0.000 1.133 379 E HN 0.526 nan 8.360 nan 0.000 0.409 380 G N 3.376 112.214 108.800 0.063 0.000 2.422 380 G HA2 0.580 4.552 3.960 0.019 0.000 0.317 380 G HA3 0.580 4.552 3.960 0.019 0.000 0.317 380 G C -0.487 174.431 174.900 0.029 0.000 1.210 380 G CA -0.419 44.692 45.100 0.018 0.000 0.930 380 G HN 0.414 nan 8.290 nan 0.000 0.468 381 I N 2.821 123.368 120.570 -0.038 0.000 2.418 381 I HA 0.355 4.536 4.170 0.019 0.000 0.287 381 I C -0.391 175.667 176.117 -0.098 0.000 1.008 381 I CA -0.689 60.553 61.300 -0.097 0.000 1.104 381 I CB 2.289 40.196 38.000 -0.156 0.000 1.264 381 I HN 0.236 nan 8.210 nan 0.000 0.438 382 I N 6.634 127.151 120.570 -0.089 0.000 2.312 382 I HA 0.265 4.447 4.170 0.019 0.000 0.290 382 I C -0.260 175.841 176.117 -0.027 0.000 1.008 382 I CA -0.792 60.452 61.300 -0.094 0.000 1.226 382 I CB 1.513 39.450 38.000 -0.104 0.000 1.371 382 I HN 0.212 nan 8.210 nan 0.000 0.468 383 V N 5.745 125.624 119.914 -0.059 0.000 2.406 383 V HA 0.203 4.335 4.120 0.019 0.000 0.272 383 V C 0.434 176.570 176.094 0.069 0.000 1.043 383 V CA -0.376 61.945 62.300 0.034 0.000 0.915 383 V CB 1.136 32.853 31.823 -0.178 0.000 0.988 383 V HN 0.856 nan 8.190 nan 0.000 0.466 384 S N 2.138 117.948 115.700 0.182 0.000 2.433 384 S HA 0.401 4.882 4.470 0.019 0.000 0.310 384 S C 0.784 175.542 174.600 0.263 0.000 1.097 384 S CA 0.091 58.409 58.200 0.197 0.000 1.103 384 S CB 1.622 64.926 63.200 0.174 0.000 0.992 384 S HN 0.861 nan 8.310 nan 0.000 0.469 385 T N -0.095 114.580 114.554 0.202 0.000 2.898 385 T HA 0.147 4.508 4.350 0.019 0.000 0.241 385 T C 0.903 175.720 174.700 0.194 0.000 1.024 385 T CA 0.627 62.836 62.100 0.182 0.000 1.174 385 T CB -0.812 68.126 68.868 0.117 0.000 0.873 385 T HN 0.938 nan 8.240 nan 0.000 0.422 386 S N 1.272 117.064 115.700 0.153 0.000 2.150 386 S HA 0.624 5.106 4.470 0.019 0.000 0.171 386 S C -1.312 173.363 174.600 0.125 0.000 1.620 386 S CA -0.821 57.449 58.200 0.116 0.000 1.190 386 S CB 0.272 63.491 63.200 0.031 0.000 1.102 386 S HN 0.448 nan 8.310 nan 0.000 0.464 387 D N 1.349 121.838 120.400 0.148 0.000 2.745 387 D HA 0.128 4.780 4.640 0.019 0.000 0.221 387 D C -1.852 174.438 176.300 -0.015 0.000 1.237 387 D CA -0.240 53.830 54.000 0.118 0.000 0.781 387 D CB 2.256 43.179 40.800 0.206 0.000 1.575 387 D HN 0.478 nan 8.370 nan 0.000 0.482 388 D N 2.649 123.021 120.400 -0.047 0.000 2.382 388 D HA 0.136 4.787 4.640 0.019 0.000 0.259 388 D C -1.612 174.564 176.300 -0.208 0.000 1.224 388 D CA -1.323 52.581 54.000 -0.160 0.000 0.894 388 D CB 1.503 42.252 40.800 -0.085 0.000 1.127 388 D HN -0.049 nan 8.370 nan 0.000 0.487 389 P HA -0.191 nan 4.420 nan 0.000 0.216 389 P C 1.105 178.328 177.300 -0.129 0.000 1.154 389 P CA 1.503 64.399 63.100 -0.340 0.000 0.865 389 P CB 0.176 31.543 31.700 -0.556 0.000 0.789 390 R N -0.643 119.790 120.500 -0.111 0.000 2.075 390 R HA -0.113 4.238 4.340 0.019 0.000 0.232 390 R C 2.332 178.638 176.300 0.009 0.000 1.126 390 R CA 0.936 57.018 56.100 -0.030 0.000 0.963 390 R CB -0.811 29.468 30.300 -0.035 0.000 0.858 390 R HN 0.229 nan 8.270 nan 0.000 0.435 391 E N 1.138 121.331 120.200 -0.012 0.000 2.077 391 E HA -0.140 4.222 4.350 0.019 0.000 0.193 391 E C 1.964 178.589 176.600 0.042 0.000 0.989 391 E CA 1.202 57.605 56.400 0.005 0.000 0.800 391 E CB 0.127 29.817 29.700 -0.017 0.000 0.746 391 E HN 0.104 nan 8.360 nan 0.000 0.452 392 V N 1.213 121.163 119.914 0.061 0.000 2.358 392 V HA -0.265 3.866 4.120 0.019 0.000 0.246 392 V C 2.578 178.783 176.094 0.184 0.000 1.047 392 V CA 1.922 64.317 62.300 0.158 0.000 1.035 392 V CB -0.569 31.335 31.823 0.136 0.000 0.658 392 V HN 0.280 nan 8.190 nan 0.000 0.452 393 M N 1.064 120.737 119.600 0.120 0.000 2.099 393 M HA -0.092 4.400 4.480 0.019 0.000 0.262 393 M C 1.814 178.235 176.300 0.202 0.000 1.067 393 M CA 1.827 57.209 55.300 0.137 0.000 1.124 393 M CB -0.688 32.000 32.600 0.147 0.000 1.353 393 M HN 0.287 nan 8.290 nan 0.000 0.410 394 N N -1.008 117.814 118.700 0.203 0.000 2.270 394 N HA -0.158 4.594 4.740 0.019 0.000 0.181 394 N C 1.737 177.335 175.510 0.148 0.000 1.016 394 N CA 1.421 54.608 53.050 0.229 0.000 0.870 394 N CB -0.575 37.990 38.487 0.129 0.000 0.979 394 N HN 0.619 nan 8.380 nan 0.000 0.431 395 H N -0.848 118.187 119.070 -0.058 0.000 2.384 395 H HA 0.081 4.649 4.556 0.020 0.000 0.300 395 H C 1.142 176.291 175.328 -0.298 0.000 1.057 395 H CA 1.444 57.341 56.048 -0.251 0.000 1.370 395 H CB -0.080 29.400 29.762 -0.469 0.000 1.417 395 H HN 0.208 nan 8.280 nan 0.000 0.527 396 Y N -1.107 119.162 120.300 -0.053 0.000 2.497 396 Y HA 0.102 4.664 4.550 0.019 0.000 0.265 396 Y C 1.433 177.298 175.900 -0.058 0.000 1.111 396 Y CA -0.221 57.824 58.100 -0.093 0.000 1.288 396 Y CB 0.753 39.186 38.460 -0.044 0.000 1.082 396 Y HN 0.241 nan 8.280 nan 0.000 0.536 397 I N -2.228 118.308 120.570 -0.058 0.000 3.616 397 I HA 0.023 4.205 4.170 0.019 0.000 0.296 397 I C 0.427 176.148 176.117 -0.660 0.000 1.226 397 I CA 0.913 61.952 61.300 -0.434 0.000 1.394 397 I CB -0.554 37.055 38.000 -0.651 0.000 1.171 397 I HN 0.097 nan 8.210 nan 0.000 0.442 398 F N 1.120 121.087 119.950 0.030 0.000 2.735 398 F HA 0.472 5.011 4.527 0.020 0.000 0.308 398 F C 1.222 177.019 175.800 -0.006 0.000 1.112 398 F CA -0.482 57.525 58.000 0.012 0.000 1.235 398 F CB 0.607 39.611 39.000 0.006 0.000 1.027 398 F HN -0.102 nan 8.300 nan 0.000 0.528 399 G N 1.306 110.143 108.800 0.061 0.000 2.332 399 G HA2 0.313 4.285 3.960 0.019 0.000 0.310 399 G HA3 0.313 4.285 3.960 0.019 0.000 0.310 399 G C -0.759 174.105 174.900 -0.060 0.000 1.123 399 G CA -0.606 44.466 45.100 -0.046 0.000 0.873 399 G HN 0.088 nan 8.290 nan 0.000 0.460 400 K N 3.030 123.402 120.400 -0.047 0.000 2.448 400 K HA 0.177 4.508 4.320 0.019 0.000 0.278 400 K C -2.089 174.426 176.600 -0.142 0.000 1.009 400 K CA -0.653 55.601 56.287 -0.055 0.000 0.995 400 K CB 0.427 32.905 32.500 -0.037 0.000 0.917 400 K HN 0.172 nan 8.250 nan 0.000 0.481 401 P HA 0.043 nan 4.420 nan 0.000 0.272 401 P C -1.156 176.037 177.300 -0.179 0.000 1.230 401 P CA -0.267 62.679 63.100 -0.256 0.000 0.788 401 P CB 0.607 32.145 31.700 -0.270 0.000 0.949 402 E N 1.024 121.118 120.200 -0.176 0.000 2.437 402 E HA -0.004 4.358 4.350 0.019 0.000 0.263 402 E C 0.277 176.777 176.600 -0.167 0.000 1.030 402 E CA 0.317 56.635 56.400 -0.136 0.000 0.934 402 E CB -0.010 29.630 29.700 -0.100 0.000 0.943 402 E HN 0.315 nan 8.360 nan 0.000 0.444 403 K N 1.989 122.249 120.400 -0.234 0.000 2.118 403 K HA 0.346 4.677 4.320 0.019 0.000 0.264 403 K C -0.534 175.772 176.600 -0.490 0.000 1.000 403 K CA -0.593 55.495 56.287 -0.333 0.000 0.929 403 K CB 0.712 32.972 32.500 -0.400 0.000 1.021 403 K HN 0.305 nan 8.250 nan 0.000 0.463 404 L N 2.669 123.695 121.223 -0.329 0.000 2.371 404 L HA 0.333 4.684 4.340 0.019 0.000 0.272 404 L C -0.555 176.115 176.870 -0.334 0.000 1.124 404 L CA -0.472 54.242 54.840 -0.210 0.000 0.816 404 L CB 0.203 42.259 42.059 -0.004 0.000 1.129 404 L HN 0.588 nan 8.230 nan 0.000 0.448 405 F N 0.664 120.676 119.950 0.103 0.000 2.493 405 F HA 0.208 4.747 4.527 0.020 0.000 0.329 405 F C 0.626 176.474 175.800 0.081 0.000 1.126 405 F CA -0.723 57.301 58.000 0.039 0.000 0.937 405 F CB 2.080 41.069 39.000 -0.018 0.000 1.146 405 F HN 0.410 nan 8.300 nan 0.000 0.442 406 S N 2.429 118.278 115.700 0.249 0.000 2.563 406 S HA -0.030 4.452 4.470 0.019 0.000 0.294 406 S C 0.542 175.270 174.600 0.214 0.000 1.279 406 S CA -0.284 58.052 58.200 0.227 0.000 1.069 406 S CB 0.486 63.770 63.200 0.140 0.000 0.828 406 S HN 0.590 nan 8.310 nan 0.000 0.497 407 Q N 4.022 123.920 119.800 0.163 0.000 2.211 407 Q HA 0.177 4.529 4.340 0.019 0.000 0.231 407 Q C 1.076 177.121 176.000 0.076 0.000 0.865 407 Q CA -0.268 55.607 55.803 0.121 0.000 0.997 407 Q CB 0.205 29.001 28.738 0.097 0.000 1.101 407 Q HN 0.759 nan 8.270 nan 0.000 0.468 408 L N 0.325 121.596 121.223 0.080 0.000 2.131 408 L HA -0.094 4.258 4.340 0.019 0.000 0.210 408 L C 1.688 178.483 176.870 -0.125 0.000 1.092 408 L CA 1.704 56.522 54.840 -0.037 0.000 0.759 408 L CB -0.374 41.624 42.059 -0.101 0.000 0.903 408 L HN 0.034 nan 8.230 nan 0.000 0.435 409 S N -0.139 115.498 115.700 -0.106 0.000 2.500 409 S HA -0.110 4.371 4.470 0.019 0.000 0.239 409 S C 0.910 175.468 174.600 -0.070 0.000 0.989 409 S CA 0.126 58.254 58.200 -0.120 0.000 0.951 409 S CB -0.957 62.232 63.200 -0.019 0.000 0.759 409 S HN 0.554 nan 8.310 nan 0.000 0.523 410 N N 2.351 121.029 118.700 -0.037 0.000 2.347 410 N HA -0.110 4.641 4.740 0.019 0.000 0.278 410 N C 0.931 176.402 175.510 -0.066 0.000 1.367 410 N CA 0.254 53.285 53.050 -0.032 0.000 0.898 410 N CB 0.563 39.044 38.487 -0.010 0.000 1.203 410 N HN 0.222 nan 8.380 nan 0.000 0.491 411 E N 2.569 122.722 120.200 -0.078 0.000 2.130 411 E HA -0.188 4.174 4.350 0.019 0.000 0.196 411 E C 1.558 178.087 176.600 -0.118 0.000 0.998 411 E CA 1.558 57.895 56.400 -0.105 0.000 0.806 411 E CB -0.144 29.488 29.700 -0.115 0.000 0.738 411 E HN 0.598 nan 8.360 nan 0.000 0.459 412 S N -0.611 115.025 115.700 -0.106 0.000 2.371 412 S HA -0.078 4.404 4.470 0.019 0.000 0.224 412 S C 1.670 176.208 174.600 -0.103 0.000 1.029 412 S CA 1.160 59.293 58.200 -0.111 0.000 0.978 412 S CB -0.285 62.860 63.200 -0.092 0.000 0.833 412 S HN 0.333 nan 8.310 nan 0.000 0.466 413 N N 1.379 120.030 118.700 -0.081 0.000 2.171 413 N HA -0.030 4.722 4.740 0.019 0.000 0.184 413 N C 1.610 177.067 175.510 -0.089 0.000 1.021 413 N CA 0.824 53.828 53.050 -0.076 0.000 0.854 413 N CB -0.667 37.798 38.487 -0.037 0.000 0.994 413 N HN 0.331 nan 8.380 nan 0.000 0.426 414 L N 2.105 123.272 121.223 -0.093 0.000 2.201 414 L HA -0.064 4.287 4.340 0.019 0.000 0.212 414 L C 2.273 179.078 176.870 -0.108 0.000 1.105 414 L CA 1.378 56.156 54.840 -0.103 0.000 0.775 414 L CB -0.317 41.670 42.059 -0.121 0.000 0.913 414 L HN 0.180 nan 8.230 nan 0.000 0.440 415 R N -1.972 118.456 120.500 -0.120 0.000 2.127 415 R HA 0.002 4.354 4.340 0.019 0.000 0.217 415 R C 2.224 178.445 176.300 -0.132 0.000 1.074 415 R CA 1.172 57.200 56.100 -0.121 0.000 0.991 415 R CB -0.788 29.415 30.300 -0.162 0.000 0.895 415 R HN 0.275 nan 8.270 nan 0.000 0.450 416 S N -0.065 115.546 115.700 -0.148 0.000 2.428 416 S HA -0.092 4.390 4.470 0.019 0.000 0.230 416 S C 1.825 176.334 174.600 -0.152 0.000 1.014 416 S CA 0.936 59.029 58.200 -0.178 0.000 0.957 416 S CB 0.045 63.115 63.200 -0.218 0.000 0.784 416 S HN 0.425 nan 8.310 nan 0.000 0.499 417 Q N 0.490 120.217 119.800 -0.121 0.000 2.163 417 Q HA 0.197 4.549 4.340 0.019 0.000 0.198 417 Q C 1.988 177.915 176.000 -0.122 0.000 0.954 417 Q CA 1.073 56.816 55.803 -0.100 0.000 0.851 417 Q CB -0.359 28.339 28.738 -0.066 0.000 0.928 417 Q HN 0.400 nan 8.270 nan 0.000 0.459 418 V N 0.573 120.420 119.914 -0.111 0.000 2.407 418 V HA -0.205 3.927 4.120 0.019 0.000 0.248 418 V C 2.065 178.111 176.094 -0.080 0.000 1.055 418 V CA 1.469 63.706 62.300 -0.106 0.000 1.049 418 V CB -0.495 31.285 31.823 -0.071 0.000 0.662 418 V HN 0.358 nan 8.190 nan 0.000 0.455 419 L N 0.861 122.035 121.223 -0.080 0.000 2.093 419 L HA -0.006 4.346 4.340 0.019 0.000 0.208 419 L C 2.430 179.284 176.870 -0.027 0.000 1.085 419 L CA 2.268 57.067 54.840 -0.069 0.000 0.755 419 L CB -0.983 40.987 42.059 -0.148 0.000 0.904 419 L HN 0.213 nan 8.230 nan 0.000 0.435 420 A N -0.485 122.322 122.820 -0.022 0.000 1.933 420 A HA -0.167 4.165 4.320 0.019 0.000 0.218 420 A C 2.260 179.984 177.584 0.234 0.000 1.175 420 A CA 1.940 54.026 52.037 0.081 0.000 0.628 420 A CB -0.836 18.235 19.000 0.117 0.000 0.814 420 A HN 0.503 nan 8.150 nan 0.000 0.444 421 L N -0.744 120.521 121.223 0.071 0.000 2.017 421 L HA -0.197 4.155 4.340 0.019 0.000 0.208 421 L C 2.522 179.555 176.870 0.272 0.000 1.073 421 L CA 1.473 56.349 54.840 0.059 0.000 0.745 421 L CB -0.538 41.228 42.059 -0.489 0.000 0.894 421 L HN 0.381 nan 8.230 nan 0.000 0.432 422 I N -0.175 120.478 120.570 0.138 0.000 2.163 422 I HA -0.242 3.940 4.170 0.019 0.000 0.240 422 I C 2.613 178.789 176.117 0.099 0.000 1.081 422 I CA 1.348 62.730 61.300 0.138 0.000 1.353 422 I CB -0.409 37.639 38.000 0.080 0.000 1.054 422 I HN 0.168 nan 8.210 nan 0.000 0.407 423 A N -0.247 122.607 122.820 0.058 0.000 2.167 423 A HA -0.062 4.270 4.320 0.019 0.000 0.214 423 A C 1.912 179.464 177.584 -0.054 0.000 1.151 423 A CA 1.691 53.734 52.037 0.010 0.000 0.735 423 A CB -0.593 18.410 19.000 0.005 0.000 0.802 423 A HN 0.533 nan 8.150 nan 0.000 0.467 424 T N -6.625 107.880 114.554 -0.081 0.000 3.130 424 T HA 0.366 4.728 4.350 0.019 0.000 0.288 424 T C 0.394 174.747 174.700 -0.578 0.000 0.936 424 T CA -0.068 61.829 62.100 -0.338 0.000 0.897 424 T CB -0.345 68.224 68.868 -0.497 0.000 1.178 424 T HN 0.138 nan 8.240 nan 0.000 0.543 425 F N 1.416 121.373 119.950 0.012 0.000 2.798 425 F HA 0.575 5.113 4.527 0.018 0.000 0.328 425 F C 1.770 177.586 175.800 0.026 0.000 1.098 425 F CA -0.145 57.891 58.000 0.060 0.000 1.172 425 F CB 1.018 40.145 39.000 0.212 0.000 1.072 425 F HN 0.325 nan 8.300 nan 0.000 0.555 426 G N 0.026 108.909 108.800 0.138 0.000 2.143 426 G HA2 -0.334 3.638 3.960 0.019 0.000 0.249 426 G HA3 -0.334 3.638 3.960 0.019 0.000 0.249 426 G C -0.242 174.641 174.900 -0.029 0.000 0.981 426 G CA -0.427 44.684 45.100 0.018 0.000 0.665 426 G HN 0.285 nan 8.290 nan 0.000 0.528 427 Y N 1.406 121.745 120.300 0.066 0.000 2.480 427 Y HA 0.392 4.953 4.550 0.019 0.000 0.341 427 Y C 1.599 177.520 175.900 0.035 0.000 1.031 427 Y CA 0.360 58.488 58.100 0.046 0.000 1.295 427 Y CB 1.353 39.831 38.460 0.029 0.000 1.162 427 Y HN 0.319 nan 8.280 nan 0.000 0.523 428 S N -0.081 115.685 115.700 0.110 0.000 2.650 428 S HA 0.334 4.816 4.470 0.019 0.000 0.240 428 S C 0.205 174.852 174.600 0.078 0.000 1.007 428 S CA -0.312 57.935 58.200 0.077 0.000 0.984 428 S CB 0.226 63.447 63.200 0.035 0.000 0.910 428 S HN 0.491 nan 8.310 nan 0.000 0.509 429 T N 0.626 115.244 114.554 0.108 0.000 2.900 429 T HA 0.437 4.798 4.350 0.019 0.000 0.303 429 T C 0.987 175.752 174.700 0.109 0.000 1.142 429 T CA -0.551 61.605 62.100 0.092 0.000 1.007 429 T CB 2.024 70.938 68.868 0.077 0.000 1.156 429 T HN -0.136 nan 8.240 nan 0.000 0.490 430 V N 1.684 121.647 119.914 0.082 0.000 2.261 430 V HA -0.133 3.998 4.120 0.019 0.000 0.246 430 V C 2.281 178.426 176.094 0.085 0.000 1.047 430 V CA 1.970 64.314 62.300 0.072 0.000 1.015 430 V CB -0.521 31.335 31.823 0.055 0.000 0.642 430 V HN 0.845 nan 8.190 nan 0.000 0.446 431 E N -0.090 120.160 120.200 0.083 0.000 2.160 431 E HA -0.242 4.119 4.350 0.019 0.000 0.195 431 E C 2.130 178.808 176.600 0.129 0.000 0.991 431 E CA 1.421 57.874 56.400 0.088 0.000 0.810 431 E CB -0.213 29.530 29.700 0.072 0.000 0.742 431 E HN 0.663 nan 8.360 nan 0.000 0.466 432 E N -0.033 120.268 120.200 0.169 0.000 2.047 432 E HA -0.116 4.246 4.350 0.019 0.000 0.191 432 E C 2.014 178.861 176.600 0.412 0.000 0.987 432 E CA 0.765 57.335 56.400 0.284 0.000 0.799 432 E CB -0.068 29.799 29.700 0.278 0.000 0.752 432 E HN 0.244 nan 8.360 nan 0.000 0.449 433 I N 0.941 121.673 120.570 0.270 0.000 2.163 433 I HA -0.302 3.879 4.170 0.019 0.000 0.243 433 I C 2.228 178.393 176.117 0.080 0.000 1.085 433 I CA 1.043 62.375 61.300 0.054 0.000 1.347 433 I CB -0.167 37.836 38.000 0.005 0.000 1.044 433 I HN 0.167 nan 8.210 nan 0.000 0.408 434 L N 0.535 121.811 121.223 0.090 0.000 2.265 434 L HA -0.223 4.128 4.340 0.019 0.000 0.215 434 L C 2.604 179.530 176.870 0.092 0.000 1.117 434 L CA 1.108 55.989 54.840 0.069 0.000 0.782 434 L CB -0.524 41.570 42.059 0.058 0.000 0.914 434 L HN 0.285 nan 8.230 nan 0.000 0.441 435 K N 0.200 120.691 120.400 0.151 0.000 2.062 435 K HA -0.211 4.120 4.320 0.019 0.000 0.205 435 K C 2.225 178.926 176.600 0.168 0.000 1.051 435 K CA 1.307 57.691 56.287 0.162 0.000 0.941 435 K CB -0.137 32.489 32.500 0.210 0.000 0.719 435 K HN 0.117 nan 8.250 nan 0.000 0.440 436 F N 2.226 122.205 119.950 0.049 0.000 2.102 436 F HA -0.211 4.327 4.527 0.019 0.000 0.298 436 F C 1.889 177.649 175.800 -0.067 0.000 1.105 436 F CA 1.179 59.144 58.000 -0.060 0.000 1.239 436 F CB -0.167 38.626 39.000 -0.344 0.000 0.991 436 F HN -0.049 nan 8.300 nan 0.000 0.474 437 I N 0.717 121.238 120.570 -0.081 0.000 2.335 437 I HA -0.278 3.904 4.170 0.019 0.000 0.251 437 I C 2.711 178.761 176.117 -0.112 0.000 1.129 437 I CA 1.726 62.934 61.300 -0.154 0.000 1.402 437 I CB -1.919 36.045 38.000 -0.060 0.000 1.069 437 I HN 0.375 nan 8.210 nan 0.000 0.424 438 S N 1.109 116.786 115.700 -0.038 0.000 2.442 438 S HA -0.130 4.352 4.470 0.019 0.000 0.236 438 S C 1.429 176.052 174.600 0.037 0.000 1.007 438 S CA 1.050 59.261 58.200 0.018 0.000 0.965 438 S CB -0.433 62.795 63.200 0.047 0.000 0.773 438 S HN 0.461 nan 8.310 nan 0.000 0.504 439 N N 1.977 120.652 118.700 -0.042 0.000 2.280 439 N HA 0.094 4.846 4.740 0.019 0.000 0.192 439 N C 0.598 176.216 175.510 0.180 0.000 1.109 439 N CA 0.779 53.857 53.050 0.047 0.000 0.855 439 N CB 0.448 38.900 38.487 -0.057 0.000 0.974 439 N HN 0.777 nan 8.380 nan 0.000 0.482 440 T N -2.668 111.876 114.554 -0.017 0.000 2.824 440 T HA 0.172 4.534 4.350 0.019 0.000 0.277 440 T C 1.032 175.532 174.700 -0.334 0.000 0.975 440 T CA -0.626 61.443 62.100 -0.051 0.000 0.966 440 T CB 0.806 69.569 68.868 -0.175 0.000 1.054 440 T HN -0.080 nan 8.240 nan 0.000 0.533 441 F N 0.032 119.305 119.950 -1.128 0.000 2.325 441 F HA 0.086 4.625 4.527 0.021 0.000 0.299 441 F C 1.965 177.476 175.800 -0.483 0.000 1.090 441 F CA -0.028 57.129 58.000 -1.406 0.000 1.392 441 F CB -0.826 37.256 39.000 -1.530 0.000 1.053 441 F HN 0.782 nan 8.300 nan 0.000 0.521 442 Y N 0.497 120.549 120.300 -0.412 0.000 2.097 442 Y HA -0.204 4.358 4.550 0.019 0.000 0.282 442 Y C 2.452 178.181 175.900 -0.284 0.000 1.152 442 Y CA 2.201 60.114 58.100 -0.311 0.000 1.136 442 Y CB -0.725 37.623 38.460 -0.187 0.000 0.975 442 Y HN 0.027 nan 8.280 nan 0.000 0.498 443 A N -0.907 121.914 122.820 0.001 0.000 1.898 443 A HA -0.244 4.088 4.320 0.019 0.000 0.216 443 A C 2.106 179.620 177.584 -0.116 0.000 1.181 443 A CA 1.626 53.651 52.037 -0.021 0.000 0.620 443 A CB -1.517 17.508 19.000 0.042 0.000 0.819 443 A HN 0.710 nan 8.150 nan 0.000 0.442 444 Y N 0.481 120.641 120.300 -0.234 0.000 2.274 444 Y HA -0.175 4.387 4.550 0.021 0.000 0.290 444 Y C 2.380 178.106 175.900 -0.290 0.000 1.145 444 Y CA 2.111 60.108 58.100 -0.172 0.000 1.203 444 Y CB -0.129 38.298 38.460 -0.056 0.000 0.984 444 Y HN 0.422 nan 8.280 nan 0.000 0.533 445 Q N 0.010 119.525 119.800 -0.474 0.000 2.472 445 Q HA -0.021 4.330 4.340 0.019 0.000 0.208 445 Q C 0.135 175.903 176.000 -0.385 0.000 0.958 445 Q CA 0.387 55.894 55.803 -0.492 0.000 0.932 445 Q CB 0.110 28.455 28.738 -0.656 0.000 1.007 445 Q HN 0.373 nan 8.270 nan 0.000 0.508 446 R N 0.650 120.931 120.500 -0.366 0.000 3.525 446 R HA -0.172 4.179 4.340 0.019 0.000 0.276 446 R C -0.466 175.650 176.300 -0.308 0.000 1.116 446 R CA 0.637 56.569 56.100 -0.282 0.000 0.745 446 R CB -1.648 28.516 30.300 -0.227 0.000 1.185 446 R HN 0.237 nan 8.270 nan 0.000 0.454 447 K N 1.158 121.260 120.400 -0.497 0.000 2.233 447 K HA 0.025 4.357 4.320 0.019 0.000 0.239 447 K C 0.243 176.599 176.600 -0.407 0.000 1.064 447 K CA -0.417 55.541 56.287 -0.550 0.000 0.884 447 K CB 0.247 32.205 32.500 -0.904 0.000 1.166 447 K HN 0.093 nan 8.250 nan 0.000 0.512 448 D N 2.289 122.536 120.400 -0.256 0.000 3.630 448 D HA -0.140 4.512 4.640 0.019 0.000 0.263 448 D C 1.078 177.468 176.300 0.149 0.000 1.483 448 D CA 0.574 54.566 54.000 -0.013 0.000 1.036 448 D CB -0.265 40.568 40.800 0.054 0.000 1.204 448 D HN 0.657 nan 8.370 nan 0.000 0.644 449 T N -0.256 114.364 114.554 0.110 0.000 2.809 449 T HA -0.244 4.118 4.350 0.019 0.000 0.260 449 T C 1.845 176.632 174.700 0.144 0.000 1.039 449 T CA 0.509 62.705 62.100 0.158 0.000 1.141 449 T CB -0.536 68.390 68.868 0.096 0.000 0.869 449 T HN 0.344 nan 8.240 nan 0.000 0.437 450 Y N 3.214 123.532 120.300 0.029 0.000 2.097 450 Y HA -0.156 4.405 4.550 0.020 0.000 0.282 450 Y C 2.876 178.784 175.900 0.013 0.000 1.152 450 Y CA 2.173 60.282 58.100 0.014 0.000 1.136 450 Y CB -0.816 37.644 38.460 0.000 0.000 0.975 450 Y HN 0.460 nan 8.280 nan 0.000 0.498 451 S N -0.276 115.393 115.700 -0.052 0.000 2.400 451 S HA -0.221 4.261 4.470 0.019 0.000 0.232 451 S C 1.969 176.482 174.600 -0.145 0.000 1.025 451 S CA 1.383 59.501 58.200 -0.137 0.000 0.993 451 S CB -1.056 62.147 63.200 0.005 0.000 0.808 451 S HN 0.472 nan 8.310 nan 0.000 0.478 452 L N 1.597 122.773 121.223 -0.077 0.000 2.072 452 L HA 0.108 4.459 4.340 0.019 0.000 0.205 452 L C 2.446 179.221 176.870 -0.158 0.000 1.079 452 L CA 1.693 56.448 54.840 -0.142 0.000 0.752 452 L CB -0.649 41.289 42.059 -0.202 0.000 0.906 452 L HN 0.261 nan 8.230 nan 0.000 0.436 453 E N -0.526 119.587 120.200 -0.144 0.000 2.038 453 E HA -0.230 4.132 4.350 0.019 0.000 0.195 453 E C 2.024 178.520 176.600 -0.175 0.000 1.000 453 E CA 1.387 57.707 56.400 -0.133 0.000 0.803 453 E CB -0.118 29.519 29.700 -0.104 0.000 0.750 453 E HN 0.474 nan 8.360 nan 0.000 0.448 454 E N 0.968 120.989 120.200 -0.299 0.000 2.070 454 E HA -0.224 4.137 4.350 0.019 0.000 0.197 454 E C 1.946 178.446 176.600 -0.166 0.000 1.004 454 E CA 1.265 57.498 56.400 -0.279 0.000 0.805 454 E CB -0.206 29.241 29.700 -0.421 0.000 0.744 454 E HN 0.209 nan 8.360 nan 0.000 0.451 455 K N 0.177 120.483 120.400 -0.157 0.000 2.147 455 K HA -0.053 4.278 4.320 0.019 0.000 0.205 455 K C 2.250 178.797 176.600 -0.089 0.000 1.049 455 K CA 0.781 56.999 56.287 -0.116 0.000 0.936 455 K CB -0.071 32.355 32.500 -0.124 0.000 0.722 455 K HN 0.117 nan 8.250 nan 0.000 0.446 456 I N 0.340 120.855 120.570 -0.092 0.000 2.333 456 I HA -0.202 3.980 4.170 0.019 0.000 0.246 456 I C 2.197 178.305 176.117 -0.014 0.000 1.106 456 I CA 0.934 62.200 61.300 -0.058 0.000 1.411 456 I CB -0.034 37.927 38.000 -0.066 0.000 1.082 456 I HN 0.097 nan 8.210 nan 0.000 0.420 457 R N 0.635 121.121 120.500 -0.022 0.000 2.081 457 R HA -0.121 4.231 4.340 0.019 0.000 0.235 457 R C 2.045 178.380 176.300 0.059 0.000 1.131 457 R CA 1.366 57.477 56.100 0.017 0.000 0.960 457 R CB -0.433 29.862 30.300 -0.009 0.000 0.856 457 R HN 0.359 nan 8.270 nan 0.000 0.436 458 N N 0.882 119.592 118.700 0.016 0.000 2.166 458 N HA -0.118 4.634 4.740 0.019 0.000 0.186 458 N C 1.824 177.427 175.510 0.154 0.000 1.019 458 N CA 1.164 54.242 53.050 0.047 0.000 0.856 458 N CB -0.102 38.372 38.487 -0.023 0.000 0.993 458 N HN 0.243 nan 8.380 nan 0.000 0.426 459 I N 0.849 121.477 120.570 0.096 0.000 2.202 459 I HA -0.205 3.977 4.170 0.019 0.000 0.242 459 I C 2.079 178.327 176.117 0.218 0.000 1.091 459 I CA 0.655 62.033 61.300 0.131 0.000 1.368 459 I CB -0.209 37.807 38.000 0.026 0.000 1.058 459 I HN 0.052 nan 8.210 nan 0.000 0.410 460 L N -0.352 120.963 121.223 0.152 0.000 2.043 460 L HA -0.301 4.050 4.340 0.019 0.000 0.212 460 L C 2.707 179.682 176.870 0.175 0.000 1.075 460 L CA 1.782 56.705 54.840 0.138 0.000 0.752 460 L CB -0.829 41.292 42.059 0.104 0.000 0.891 460 L HN 0.275 nan 8.230 nan 0.000 0.432 461 Y N 0.162 120.517 120.300 0.092 0.000 2.097 461 Y HA -0.370 4.192 4.550 0.019 0.000 0.282 461 Y C 2.509 178.477 175.900 0.113 0.000 1.152 461 Y CA 1.969 60.120 58.100 0.085 0.000 1.136 461 Y CB -0.457 38.051 38.460 0.080 0.000 0.975 461 Y HN 0.134 nan 8.280 nan 0.000 0.498 462 F N 0.208 120.290 119.950 0.220 0.000 2.126 462 F HA -0.246 4.292 4.527 0.019 0.000 0.299 462 F C 1.746 177.595 175.800 0.082 0.000 1.096 462 F CA 1.780 59.862 58.000 0.136 0.000 1.255 462 F CB -0.572 38.518 39.000 0.150 0.000 0.997 462 F HN 0.058 nan 8.300 nan 0.000 0.479 463 L N -0.302 120.974 121.223 0.088 0.000 2.093 463 L HA -0.167 4.184 4.340 0.019 0.000 0.208 463 L C 2.415 179.271 176.870 -0.023 0.000 1.085 463 L CA 0.877 55.755 54.840 0.062 0.000 0.755 463 L CB -0.779 41.361 42.059 0.135 0.000 0.904 463 L HN 0.332 nan 8.230 nan 0.000 0.435 464 L N -0.354 120.819 121.223 -0.084 0.000 2.027 464 L HA -0.144 4.208 4.340 0.019 0.000 0.206 464 L C 2.504 179.222 176.870 -0.254 0.000 1.074 464 L CA 1.785 56.537 54.840 -0.147 0.000 0.745 464 L CB -0.650 41.314 42.059 -0.158 0.000 0.898 464 L HN 0.121 nan 8.230 nan 0.000 0.433 465 E N 0.061 120.035 120.200 -0.376 0.000 2.204 465 E HA -0.168 4.194 4.350 0.019 0.000 0.195 465 E C 1.477 177.874 176.600 -0.339 0.000 0.990 465 E CA 0.981 57.152 56.400 -0.382 0.000 0.821 465 E CB -0.273 29.177 29.700 -0.417 0.000 0.750 465 E HN 0.646 nan 8.360 nan 0.000 0.477 466 N N 0.599 119.050 118.700 -0.416 0.000 2.280 466 N HA -0.026 4.726 4.740 0.019 0.000 0.192 466 N C -0.537 174.646 175.510 -0.544 0.000 1.109 466 N CA 0.144 52.896 53.050 -0.496 0.000 0.855 466 N CB 0.573 38.663 38.487 -0.661 0.000 0.974 466 N HN 0.201 nan 8.380 nan 0.000 0.482 467 E N -1.068 118.912 120.200 -0.367 0.000 2.759 467 E HA -0.209 4.153 4.350 0.019 0.000 0.280 467 E C -0.088 176.326 176.600 -0.310 0.000 1.009 467 E CA 0.270 56.487 56.400 -0.304 0.000 0.849 467 E CB -2.195 27.327 29.700 -0.297 0.000 1.415 467 E HN 0.364 nan 8.360 nan 0.000 0.412 468 F N 0.217 120.075 119.950 -0.154 0.000 2.387 468 F HA 0.225 4.764 4.527 0.020 0.000 0.294 468 F C 1.661 177.418 175.800 -0.072 0.000 1.093 468 F CA 0.949 58.886 58.000 -0.104 0.000 1.420 468 F CB 0.351 39.293 39.000 -0.097 0.000 1.086 468 F HN 0.172 nan 8.300 nan 0.000 0.531 469 I N -1.933 118.701 120.570 0.106 0.000 3.343 469 I HA 0.564 4.746 4.170 0.019 0.000 0.315 469 I C -1.284 174.834 176.117 0.001 0.000 1.153 469 I CA -1.034 60.297 61.300 0.052 0.000 0.952 469 I CB 2.364 40.401 38.000 0.061 0.000 1.287 469 I HN -0.048 nan 8.210 nan 0.000 0.472 470 E N 1.823 122.024 120.200 0.001 0.000 2.367 470 E HA 0.744 5.105 4.350 0.019 0.000 0.273 470 E C -1.624 174.976 176.600 -0.001 0.000 0.903 470 E CA -0.941 55.450 56.400 -0.015 0.000 0.764 470 E CB 3.028 32.717 29.700 -0.019 0.000 1.252 470 E HN 0.655 nan 8.360 nan 0.000 0.446 471 I N 1.272 121.838 120.570 -0.006 0.000 2.828 471 I HA 0.369 4.551 4.170 0.019 0.000 0.302 471 I C -0.176 175.943 176.117 0.004 0.000 1.101 471 I CA -0.914 60.391 61.300 0.007 0.000 1.031 471 I CB 2.318 40.327 38.000 0.015 0.000 1.231 471 I HN 0.796 nan 8.210 nan 0.000 0.427 472 S N 4.078 119.784 115.700 0.010 0.000 2.786 472 S HA 0.560 5.042 4.470 0.019 0.000 0.307 472 S C 0.368 174.975 174.600 0.013 0.000 1.121 472 S CA -0.842 57.362 58.200 0.008 0.000 0.975 472 S CB 1.344 64.548 63.200 0.008 0.000 1.220 472 S HN 0.596 nan 8.310 nan 0.000 0.550 473 L N 0.386 121.616 121.223 0.011 0.000 2.650 473 L HA 0.218 4.570 4.340 0.019 0.000 0.235 473 L C 2.407 179.286 176.870 0.016 0.000 1.149 473 L CA 1.014 55.862 54.840 0.013 0.000 0.887 473 L CB -1.071 40.995 42.059 0.010 0.000 1.021 473 L HN 1.006 nan 8.230 nan 0.000 0.441 474 E N -1.237 118.973 120.200 0.016 0.000 2.511 474 E HA 0.024 4.386 4.350 0.019 0.000 0.209 474 E C 0.455 177.069 176.600 0.023 0.000 0.986 474 E CA 0.377 56.787 56.400 0.018 0.000 0.974 474 E CB 0.116 29.825 29.700 0.015 0.000 1.030 474 E HN 0.424 nan 8.360 nan 0.000 0.490 475 D N -0.658 119.757 120.400 0.024 0.000 2.947 475 D HA -0.109 4.543 4.640 0.019 0.000 0.224 475 D C -0.193 176.126 176.300 0.032 0.000 1.132 475 D CA 1.335 55.353 54.000 0.030 0.000 0.801 475 D CB -1.390 39.431 40.800 0.034 0.000 1.097 475 D HN 0.413 nan 8.370 nan 0.000 0.431 476 K N 0.767 121.183 120.400 0.027 0.000 2.248 476 K HA 0.552 4.884 4.320 0.019 0.000 0.281 476 K C -0.164 176.453 176.600 0.029 0.000 1.054 476 K CA -0.393 55.911 56.287 0.028 0.000 0.903 476 K CB 0.539 33.051 32.500 0.020 0.000 1.077 476 K HN 0.170 nan 8.250 nan 0.000 0.474 477 I N 4.646 125.239 120.570 0.038 0.000 2.385 477 I HA 0.462 4.644 4.170 0.019 0.000 0.294 477 I C 0.093 176.232 176.117 0.037 0.000 0.988 477 I CA -0.742 60.581 61.300 0.039 0.000 1.265 477 I CB 1.519 39.551 38.000 0.054 0.000 1.388 477 I HN 0.428 nan 8.210 nan 0.000 0.480 478 R N 5.986 126.503 120.500 0.029 0.000 2.673 478 R HA 0.495 4.847 4.340 0.019 0.000 0.281 478 R C -2.807 173.509 176.300 0.026 0.000 0.991 478 R CA -1.655 54.459 56.100 0.025 0.000 0.896 478 R CB 2.234 32.542 30.300 0.013 0.000 1.201 478 R HN 0.354 nan 8.270 nan 0.000 0.457 479 P HA 0.248 nan 4.420 nan 0.000 0.288 479 P C -0.828 176.485 177.300 0.022 0.000 1.267 479 P CA -0.380 62.740 63.100 0.034 0.000 0.815 479 P CB 1.192 32.911 31.700 0.033 0.000 0.989 480 L N 1.436 122.674 121.223 0.024 0.000 2.387 480 L HA 0.281 4.633 4.340 0.019 0.000 0.266 480 L C 2.070 178.948 176.870 0.013 0.000 1.059 480 L CA -0.615 54.226 54.840 0.003 0.000 0.801 480 L CB 0.394 42.438 42.059 -0.026 0.000 1.223 480 L HN 0.317 nan 8.230 nan 0.000 0.456 481 S N 0.588 116.288 115.700 0.001 0.000 2.389 481 S HA -0.230 4.252 4.470 0.019 0.000 0.231 481 S C 1.571 176.185 174.600 0.024 0.000 1.052 481 S CA 1.655 59.861 58.200 0.010 0.000 1.053 481 S CB -0.338 62.864 63.200 0.002 0.000 0.886 481 S HN 0.549 nan 8.310 nan 0.000 0.456 482 L N 1.706 122.930 121.223 0.001 0.000 2.083 482 L HA 0.019 4.370 4.340 0.019 0.000 0.209 482 L C 2.214 179.205 176.870 0.202 0.000 1.083 482 L CA 1.950 56.802 54.840 0.020 0.000 0.752 482 L CB -1.304 40.649 42.059 -0.176 0.000 0.899 482 L HN 0.288 nan 8.230 nan 0.000 0.433 483 G N -0.192 108.730 108.800 0.204 0.000 2.484 483 G HA2 -0.252 3.719 3.960 0.019 0.000 0.215 483 G HA3 -0.252 3.719 3.960 0.019 0.000 0.215 483 G C 1.630 176.601 174.900 0.118 0.000 1.219 483 G CA 1.133 46.381 45.100 0.245 0.000 0.791 483 G HN 0.437 nan 8.290 nan 0.000 0.550 484 I N 0.293 120.902 120.570 0.065 0.000 2.151 484 I HA -0.222 3.959 4.170 0.019 0.000 0.243 484 I C 2.887 179.022 176.117 0.029 0.000 1.080 484 I CA 1.503 62.815 61.300 0.021 0.000 1.339 484 I CB -0.190 37.814 38.000 0.007 0.000 1.039 484 I HN 0.075 nan 8.210 nan 0.000 0.409 485 R N 0.728 121.264 120.500 0.060 0.000 2.096 485 R HA -0.130 4.221 4.340 0.019 0.000 0.235 485 R C 2.227 178.590 176.300 0.104 0.000 1.127 485 R CA 2.006 58.152 56.100 0.077 0.000 0.968 485 R CB -0.815 29.526 30.300 0.070 0.000 0.861 485 R HN 0.283 nan 8.270 nan 0.000 0.440 486 T N -0.059 114.568 114.554 0.123 0.000 2.777 486 T HA -0.049 4.313 4.350 0.019 0.000 0.266 486 T C 1.766 176.502 174.700 0.060 0.000 1.040 486 T CA 1.296 63.466 62.100 0.116 0.000 1.141 486 T CB -0.404 68.548 68.868 0.139 0.000 0.868 486 T HN 0.395 nan 8.240 nan 0.000 0.444 487 A N 1.692 124.523 122.820 0.018 0.000 1.933 487 A HA -0.106 4.225 4.320 0.019 0.000 0.218 487 A C 2.215 179.804 177.584 0.008 0.000 1.175 487 A CA 1.444 53.470 52.037 -0.018 0.000 0.628 487 A CB -0.372 18.602 19.000 -0.044 0.000 0.814 487 A HN 0.429 nan 8.150 nan 0.000 0.444 488 K N -0.709 119.688 120.400 -0.005 0.000 2.305 488 K HA 0.196 4.528 4.320 0.019 0.000 0.199 488 K C 1.324 178.093 176.600 0.282 0.000 1.047 488 K CA 0.482 56.738 56.287 -0.051 0.000 0.976 488 K CB -0.105 32.325 32.500 -0.116 0.000 0.765 488 K HN 0.445 nan 8.250 nan 0.000 0.474 489 L N -0.640 120.770 121.223 0.312 0.000 2.558 489 L HA 0.009 4.361 4.340 0.019 0.000 0.225 489 L C 0.334 177.592 176.870 0.646 0.000 1.128 489 L CA 0.163 55.290 54.840 0.479 0.000 0.868 489 L CB -0.096 42.180 42.059 0.362 0.000 1.006 489 L HN 0.217 nan 8.230 nan 0.000 0.454 490 Y N 0.114 120.580 120.300 0.276 0.000 4.881 490 Y HA -0.289 4.273 4.550 0.021 0.000 0.241 490 Y C 0.781 176.873 175.900 0.320 0.000 0.985 490 Y CA 0.159 58.377 58.100 0.196 0.000 1.976 490 Y CB -1.522 36.935 38.460 -0.004 0.000 1.528 490 Y HN 0.227 nan 8.280 nan 0.000 0.581 491 I N -1.376 119.365 120.570 0.285 0.000 2.945 491 I HA 0.296 4.478 4.170 0.019 0.000 0.292 491 I C 0.817 176.900 176.117 -0.056 0.000 1.093 491 I CA -0.384 60.986 61.300 0.117 0.000 1.336 491 I CB 0.596 38.569 38.000 -0.045 0.000 1.435 491 I HN 0.070 nan 8.210 nan 0.000 0.593 492 D N 4.360 124.710 120.400 -0.085 0.000 2.390 492 D HA 0.169 4.821 4.640 0.019 0.000 0.249 492 D C -1.758 174.473 176.300 -0.114 0.000 1.144 492 D CA -2.054 51.881 54.000 -0.108 0.000 0.880 492 D CB 1.641 42.399 40.800 -0.070 0.000 1.182 492 D HN 0.310 nan 8.370 nan 0.000 0.451 493 P HA -0.186 nan 4.420 nan 0.000 0.217 493 P C 1.063 178.372 177.300 0.015 0.000 1.151 493 P CA 1.191 64.107 63.100 -0.307 0.000 0.849 493 P CB -0.070 31.348 31.700 -0.470 0.000 0.787 494 Y N -0.130 120.168 120.300 -0.003 0.000 2.274 494 Y HA -0.219 4.342 4.550 0.019 0.000 0.290 494 Y C 2.460 178.347 175.900 -0.021 0.000 1.145 494 Y CA 2.050 60.203 58.100 0.088 0.000 1.203 494 Y CB -0.635 37.788 38.460 -0.062 0.000 0.984 494 Y HN 0.047 nan 8.280 nan 0.000 0.533 495 T N -2.406 112.135 114.554 -0.022 0.000 2.995 495 T HA -0.042 4.319 4.350 0.019 0.000 0.269 495 T C 1.897 176.180 174.700 -0.696 0.000 1.091 495 T CA 0.859 62.737 62.100 -0.370 0.000 1.128 495 T CB -0.388 68.172 68.868 -0.513 0.000 0.891 495 T HN 0.288 nan 8.240 nan 0.000 0.492 496 A N 1.497 124.147 122.820 -0.283 0.000 1.930 496 A HA 0.155 4.487 4.320 0.019 0.000 0.215 496 A C 2.386 180.015 177.584 0.076 0.000 1.176 496 A CA 1.386 53.388 52.037 -0.058 0.000 0.632 496 A CB -0.599 18.546 19.000 0.241 0.000 0.819 496 A HN 0.557 nan 8.150 nan 0.000 0.445 497 K N -0.631 119.849 120.400 0.133 0.000 2.097 497 K HA -0.049 4.282 4.320 0.019 0.000 0.205 497 K C 1.918 178.502 176.600 -0.027 0.000 1.050 497 K CA 1.479 57.773 56.287 0.012 0.000 0.938 497 K CB -0.225 32.239 32.500 -0.060 0.000 0.718 497 K HN 0.489 nan 8.250 nan 0.000 0.442 498 M N -0.352 119.253 119.600 0.009 0.000 2.254 498 M HA -0.051 4.441 4.480 0.019 0.000 0.265 498 M C 1.783 178.248 176.300 0.274 0.000 1.066 498 M CA 1.364 56.752 55.300 0.147 0.000 1.123 498 M CB -0.108 32.627 32.600 0.224 0.000 1.388 498 M HN 0.143 nan 8.290 nan 0.000 0.425 499 F N 0.250 120.227 119.950 0.045 0.000 2.163 499 F HA -0.192 4.347 4.527 0.019 0.000 0.297 499 F C 2.645 178.415 175.800 -0.051 0.000 1.094 499 F CA 0.654 58.658 58.000 0.006 0.000 1.290 499 F CB -0.219 38.778 39.000 -0.004 0.000 1.017 499 F HN 0.127 nan 8.300 nan 0.000 0.483 500 K N 0.693 121.171 120.400 0.130 0.000 2.057 500 K HA -0.179 4.153 4.320 0.019 0.000 0.206 500 K C 1.443 178.009 176.600 -0.056 0.000 1.050 500 K CA 1.799 58.074 56.287 -0.021 0.000 0.935 500 K CB -0.151 32.276 32.500 -0.121 0.000 0.715 500 K HN 0.064 nan 8.250 nan 0.000 0.439 501 D N 0.871 121.245 120.400 -0.042 0.000 2.097 501 D HA -0.124 4.527 4.640 0.019 0.000 0.195 501 D C 1.521 177.770 176.300 -0.084 0.000 0.989 501 D CA 1.121 55.082 54.000 -0.065 0.000 0.827 501 D CB 0.068 40.843 40.800 -0.041 0.000 0.966 501 D HN 0.080 nan 8.370 nan 0.000 0.456 502 K N 0.116 120.478 120.400 -0.064 0.000 2.444 502 K HA 0.100 4.431 4.320 0.019 0.000 0.193 502 K C 1.638 178.108 176.600 -0.216 0.000 1.024 502 K CA -0.174 56.026 56.287 -0.144 0.000 1.077 502 K CB -0.015 32.429 32.500 -0.093 0.000 0.833 502 K HN 0.119 nan 8.250 nan 0.000 0.517 503 M N 2.098 121.605 119.600 -0.156 0.000 2.106 503 M HA -0.246 4.246 4.480 0.019 0.000 0.259 503 M C 2.154 178.317 176.300 -0.230 0.000 1.068 503 M CA 2.467 57.653 55.300 -0.190 0.000 1.100 503 M CB -0.534 31.985 32.600 -0.135 0.000 1.351 503 M HN 0.289 nan 8.290 nan 0.000 0.404 504 E N -0.122 119.963 120.200 -0.193 0.000 2.085 504 E HA -0.216 4.146 4.350 0.019 0.000 0.194 504 E C 1.773 178.234 176.600 -0.231 0.000 0.994 504 E CA 1.782 58.076 56.400 -0.176 0.000 0.801 504 E CB -1.091 28.530 29.700 -0.132 0.000 0.743 504 E HN 0.720 nan 8.360 nan 0.000 0.453 505 E N 0.220 120.236 120.200 -0.307 0.000 2.110 505 E HA -0.094 4.268 4.350 0.019 0.000 0.193 505 E C 2.404 178.593 176.600 -0.686 0.000 0.988 505 E CA 1.268 57.429 56.400 -0.400 0.000 0.804 505 E CB -0.436 29.023 29.700 -0.402 0.000 0.745 505 E HN 0.466 nan 8.360 nan 0.000 0.458 506 V N 1.233 120.640 119.914 -0.845 0.000 2.295 506 V HA -0.189 3.943 4.120 0.019 0.000 0.246 506 V C 2.518 178.396 176.094 -0.360 0.000 1.049 506 V CA 1.653 63.499 62.300 -0.757 0.000 1.024 506 V CB -0.670 30.868 31.823 -0.475 0.000 0.648 506 V HN 0.124 nan 8.190 nan 0.000 0.447 507 V N -0.536 119.212 119.914 -0.276 0.000 2.626 507 V HA -0.209 3.923 4.120 0.019 0.000 0.252 507 V C 2.434 178.429 176.094 -0.165 0.000 1.067 507 V CA 1.996 64.180 62.300 -0.192 0.000 1.081 507 V CB -0.417 31.318 31.823 -0.147 0.000 0.686 507 V HN 0.538 nan 8.190 nan 0.000 0.468 508 K N -0.251 120.051 120.400 -0.164 0.000 2.097 508 K HA -0.094 4.237 4.320 0.019 0.000 0.205 508 K C 0.544 177.092 176.600 -0.086 0.000 1.050 508 K CA 1.479 57.701 56.287 -0.108 0.000 0.938 508 K CB 0.038 32.483 32.500 -0.091 0.000 0.718 508 K HN 0.557 nan 8.250 nan 0.000 0.442 509 D N -0.314 120.037 120.400 -0.083 0.000 2.752 509 D HA 0.090 4.742 4.640 0.019 0.000 0.242 509 D C -2.868 173.430 176.300 -0.004 0.000 1.295 509 D CA -1.794 52.187 54.000 -0.032 0.000 0.846 509 D CB 0.915 41.746 40.800 0.052 0.000 1.454 509 D HN -0.139 nan 8.370 nan 0.000 0.535 510 P HA 0.221 nan 4.420 nan 0.000 0.276 510 P C -0.917 176.239 177.300 -0.241 0.000 1.264 510 P CA -0.219 62.732 63.100 -0.248 0.000 0.769 510 P CB 0.447 31.763 31.700 -0.640 0.000 0.840 511 N N 2.685 121.403 118.700 0.030 0.000 2.416 511 N HA 0.449 5.200 4.740 0.019 0.000 0.276 511 N C -2.616 172.866 175.510 -0.046 0.000 1.261 511 N CA -2.090 50.979 53.050 0.031 0.000 0.790 511 N CB 1.016 39.483 38.487 -0.033 0.000 1.554 511 N HN -0.101 nan 8.380 nan 0.000 0.481 512 P HA -0.153 nan 4.420 nan 0.000 0.213 512 P C 1.230 178.210 177.300 -0.534 0.000 1.170 512 P CA 0.881 63.615 63.100 -0.610 0.000 0.902 512 P CB 0.123 31.554 31.700 -0.448 0.000 0.789 513 I N -0.549 119.898 120.570 -0.205 0.000 2.194 513 I HA -0.182 3.999 4.170 0.019 0.000 0.246 513 I C 2.357 178.433 176.117 -0.068 0.000 1.093 513 I CA 2.267 63.532 61.300 -0.058 0.000 1.355 513 I CB -1.955 36.011 38.000 -0.056 0.000 1.046 513 I HN 0.036 nan 8.210 nan 0.000 0.413 514 G N 0.509 109.182 108.800 -0.212 0.000 2.402 514 G HA2 -0.175 3.796 3.960 0.019 0.000 0.216 514 G HA3 -0.175 3.796 3.960 0.019 0.000 0.216 514 G C 1.814 176.544 174.900 -0.282 0.000 1.162 514 G CA 0.510 45.295 45.100 -0.525 0.000 0.777 514 G HN 0.359 nan 8.290 nan 0.000 0.539 515 I N -0.285 120.236 120.570 -0.080 0.000 2.163 515 I HA -0.065 4.117 4.170 0.019 0.000 0.240 515 I C 2.518 178.717 176.117 0.136 0.000 1.081 515 I CA 0.896 62.235 61.300 0.065 0.000 1.353 515 I CB -0.362 37.613 38.000 -0.042 0.000 1.054 515 I HN 0.125 nan 8.210 nan 0.000 0.407 516 F N -0.038 119.930 119.950 0.031 0.000 2.202 516 F HA -0.299 4.240 4.527 0.019 0.000 0.301 516 F C 2.726 178.510 175.800 -0.028 0.000 1.082 516 F CA 1.147 59.143 58.000 -0.007 0.000 1.313 516 F CB -0.457 38.529 39.000 -0.023 0.000 1.024 516 F HN 0.299 nan 8.300 nan 0.000 0.495 517 H N 0.562 119.686 119.070 0.089 0.000 2.372 517 H HA -0.131 4.437 4.556 0.020 0.000 0.301 517 H C 2.239 177.534 175.328 -0.054 0.000 1.065 517 H CA 1.231 57.251 56.048 -0.047 0.000 1.364 517 H CB -0.301 29.415 29.762 -0.078 0.000 1.406 517 H HN 0.296 nan 8.280 nan 0.000 0.521 518 L N 2.341 123.572 121.223 0.014 0.000 1.989 518 L HA -0.167 4.185 4.340 0.019 0.000 0.211 518 L C 2.666 179.605 176.870 0.116 0.000 1.071 518 L CA 1.980 56.904 54.840 0.140 0.000 0.749 518 L CB -0.964 41.357 42.059 0.437 0.000 0.890 518 L HN 0.493 nan 8.230 nan 0.000 0.431 519 I N -3.682 116.987 120.570 0.165 0.000 2.394 519 I HA -0.129 4.052 4.170 0.019 0.000 0.251 519 I C 1.941 178.067 176.117 0.015 0.000 1.136 519 I CA 1.434 62.852 61.300 0.197 0.000 1.425 519 I CB -0.816 37.301 38.000 0.194 0.000 1.079 519 I HN 0.131 nan 8.210 nan 0.000 0.425 520 S N 1.139 116.789 115.700 -0.083 0.000 2.603 520 S HA 0.081 4.562 4.470 0.019 0.000 0.229 520 S C 1.440 175.909 174.600 -0.219 0.000 0.972 520 S CA 0.575 58.676 58.200 -0.166 0.000 0.935 520 S CB -0.210 62.872 63.200 -0.197 0.000 0.769 520 S HN 0.409 nan 8.310 nan 0.000 0.536 521 L N 1.607 122.684 121.223 -0.244 0.000 2.766 521 L HA 0.261 4.613 4.340 0.019 0.000 0.242 521 L C 0.957 177.748 176.870 -0.133 0.000 1.136 521 L CA 0.328 55.004 54.840 -0.273 0.000 0.933 521 L CB -0.170 41.584 42.059 -0.508 0.000 1.241 521 L HN 0.206 nan 8.230 nan 0.000 0.522 522 T N -4.278 110.229 114.554 -0.079 0.000 2.881 522 T HA 0.364 4.725 4.350 0.019 0.000 0.278 522 T C -1.742 172.907 174.700 -0.084 0.000 0.982 522 T CA -1.611 60.455 62.100 -0.058 0.000 0.989 522 T CB 0.954 69.763 68.868 -0.098 0.000 1.058 522 T HN -0.147 nan 8.240 nan 0.000 0.529 523 P HA 0.073 nan 4.420 nan 0.000 0.230 523 P C 0.465 177.741 177.300 -0.040 0.000 1.158 523 P CA 0.615 63.663 63.100 -0.086 0.000 0.769 523 P CB 0.045 31.681 31.700 -0.106 0.000 0.807 524 D N -0.590 119.787 120.400 -0.038 0.000 2.336 524 D HA 0.175 4.826 4.640 0.019 0.000 0.228 524 D C 0.468 176.816 176.300 0.080 0.000 1.120 524 D CA 0.311 54.338 54.000 0.045 0.000 0.839 524 D CB 0.379 41.151 40.800 -0.048 0.000 0.932 524 D HN 0.253 nan 8.370 nan 0.000 0.509 525 I N -0.443 120.134 120.570 0.011 0.000 2.722 525 I HA 0.106 4.287 4.170 0.019 0.000 0.292 525 I C -1.310 174.774 176.117 -0.054 0.000 1.267 525 I CA -0.343 60.951 61.300 -0.010 0.000 1.036 525 I CB 2.335 40.301 38.000 -0.057 0.000 1.281 525 I HN -0.379 nan 8.210 nan 0.000 0.423 526 T N 8.011 122.527 114.554 -0.063 0.000 2.832 526 T HA 0.421 4.782 4.350 0.019 0.000 0.313 526 T C -2.476 172.143 174.700 -0.136 0.000 1.035 526 T CA -0.957 61.101 62.100 -0.070 0.000 0.950 526 T CB 0.769 69.621 68.868 -0.026 0.000 0.984 526 T HN 0.350 nan 8.240 nan 0.000 0.486 527 P HA 0.102 nan 4.420 nan 0.000 0.267 527 P C -0.080 177.179 177.300 -0.069 0.000 1.200 527 P CA -0.211 62.783 63.100 -0.178 0.000 0.772 527 P CB 0.336 31.987 31.700 -0.082 0.000 0.855 528 F N 0.942 120.888 119.950 -0.006 0.000 2.539 528 F HA 0.033 4.572 4.527 0.019 0.000 0.340 528 F C 1.594 177.417 175.800 0.038 0.000 1.185 528 F CA -0.051 57.952 58.000 0.005 0.000 1.333 528 F CB 0.329 39.335 39.000 0.010 0.000 1.152 528 F HN 0.264 nan 8.300 nan 0.000 0.602 529 N N 0.676 119.512 118.700 0.227 0.000 2.489 529 N HA 0.245 4.996 4.740 0.019 0.000 0.284 529 N C -1.194 174.400 175.510 0.139 0.000 1.158 529 N CA -0.355 52.732 53.050 0.062 0.000 0.965 529 N CB 1.650 40.120 38.487 -0.027 0.000 1.195 529 N HN 0.456 nan 8.380 nan 0.000 0.506 530 Y N -1.947 118.444 120.300 0.152 0.000 2.536 530 Y HA 0.633 5.195 4.550 0.019 0.000 0.347 530 Y C 0.101 176.073 175.900 0.119 0.000 1.000 530 Y CA -1.316 56.883 58.100 0.166 0.000 1.051 530 Y CB 0.533 39.147 38.460 0.258 0.000 1.259 530 Y HN 0.417 nan 8.280 nan 0.000 0.468 531 S N 1.198 117.095 115.700 0.329 0.000 2.722 531 S HA 0.413 4.894 4.470 0.019 0.000 0.292 531 S C 0.482 175.262 174.600 0.300 0.000 1.135 531 S CA -0.883 57.442 58.200 0.208 0.000 1.003 531 S CB 1.683 64.955 63.200 0.120 0.000 1.067 531 S HN 0.789 nan 8.310 nan 0.000 0.546 532 K N 0.560 121.068 120.400 0.180 0.000 2.113 532 K HA -0.193 4.139 4.320 0.019 0.000 0.208 532 K C 2.820 179.531 176.600 0.184 0.000 1.047 532 K CA 1.657 58.046 56.287 0.169 0.000 0.928 532 K CB -0.880 31.672 32.500 0.087 0.000 0.716 532 K HN 0.700 nan 8.250 nan 0.000 0.446 533 R N 2.458 123.043 120.500 0.142 0.000 2.082 533 R HA -0.192 4.160 4.340 0.019 0.000 0.228 533 R C 2.102 178.475 176.300 0.122 0.000 1.140 533 R CA 2.082 58.247 56.100 0.108 0.000 0.920 533 R CB -1.753 28.592 30.300 0.074 0.000 0.828 533 R HN 0.695 nan 8.270 nan 0.000 0.430 534 E N -0.657 119.627 120.200 0.140 0.000 2.331 534 E HA -0.168 4.194 4.350 0.019 0.000 0.199 534 E C 1.757 178.419 176.600 0.104 0.000 1.008 534 E CA 1.123 57.594 56.400 0.118 0.000 0.843 534 E CB -0.484 29.303 29.700 0.144 0.000 0.761 534 E HN 0.551 nan 8.360 nan 0.000 0.507 535 F N 2.243 122.195 119.950 0.002 0.000 2.449 535 F HA -0.136 4.403 4.527 0.019 0.000 0.299 535 F C 2.096 177.814 175.800 -0.138 0.000 1.092 535 F CA 1.388 59.280 58.000 -0.179 0.000 1.446 535 F CB -0.558 38.338 39.000 -0.172 0.000 1.084 535 F HN 0.238 nan 8.300 nan 0.000 0.567 536 E N 0.882 121.024 120.200 -0.097 0.000 1.993 536 E HA -0.190 4.171 4.350 0.019 0.000 0.198 536 E C 2.452 178.923 176.600 -0.215 0.000 0.999 536 E CA 2.185 58.501 56.400 -0.140 0.000 0.850 536 E CB -1.383 28.294 29.700 -0.038 0.000 0.796 536 E HN 0.430 nan 8.360 nan 0.000 0.482 537 R N 0.337 120.768 120.500 -0.115 0.000 2.134 537 R HA -0.086 4.266 4.340 0.019 0.000 0.248 537 R C 2.770 179.010 176.300 -0.100 0.000 1.143 537 R CA 2.008 58.056 56.100 -0.086 0.000 0.957 537 R CB -1.769 28.509 30.300 -0.036 0.000 0.867 537 R HN 0.549 nan 8.270 nan 0.000 0.441 538 L N -0.231 120.922 121.223 -0.116 0.000 2.051 538 L HA -0.307 4.045 4.340 0.019 0.000 0.214 538 L C 2.939 179.694 176.870 -0.192 0.000 1.076 538 L CA 2.273 57.086 54.840 -0.046 0.000 0.758 538 L CB -0.415 41.563 42.059 -0.135 0.000 0.890 538 L HN 0.578 nan 8.230 nan 0.000 0.433 539 E N 0.214 120.086 120.200 -0.546 0.000 2.023 539 E HA -0.273 4.089 4.350 0.019 0.000 0.196 539 E C 1.981 178.547 176.600 -0.057 0.000 1.003 539 E CA 1.596 57.720 56.400 -0.461 0.000 0.809 539 E CB -0.008 29.334 29.700 -0.596 0.000 0.755 539 E HN 0.243 nan 8.360 nan 0.000 0.449 540 E N 0.511 120.655 120.200 -0.093 0.000 2.051 540 E HA -0.184 4.177 4.350 0.019 0.000 0.192 540 E C 1.924 178.462 176.600 -0.104 0.000 0.991 540 E CA 1.666 58.039 56.400 -0.044 0.000 0.799 540 E CB -0.126 29.531 29.700 -0.071 0.000 0.748 540 E HN 0.386 nan 8.360 nan 0.000 0.449 541 E N -0.899 119.216 120.200 -0.142 0.000 2.058 541 E HA -0.247 4.115 4.350 0.019 0.000 0.194 541 E C 1.953 178.310 176.600 -0.406 0.000 0.997 541 E CA 1.319 57.530 56.400 -0.314 0.000 0.801 541 E CB -0.403 29.277 29.700 -0.033 0.000 0.746 541 E HN 0.341 nan 8.360 nan 0.000 0.450 542 Y N 0.766 120.761 120.300 -0.508 0.000 2.030 542 Y HA -0.345 4.217 4.550 0.019 0.000 0.274 542 Y C 1.906 177.520 175.900 -0.477 0.000 1.153 542 Y CA 1.816 59.380 58.100 -0.894 0.000 1.115 542 Y CB -0.899 37.095 38.460 -0.777 0.000 0.969 542 Y HN 0.058 nan 8.280 nan 0.000 0.488 543 Y N 0.232 120.203 120.300 -0.548 0.000 2.465 543 Y HA -0.192 4.369 4.550 0.020 0.000 0.289 543 Y C 2.392 178.095 175.900 -0.329 0.000 1.150 543 Y CA 1.501 59.309 58.100 -0.486 0.000 1.293 543 Y CB -0.202 38.163 38.460 -0.157 0.000 0.977 543 Y HN 0.281 nan 8.280 nan 0.000 0.556 544 E N -0.727 119.343 120.200 -0.216 0.000 2.250 544 E HA 0.006 4.368 4.350 0.019 0.000 0.192 544 E C 1.050 177.718 176.600 0.114 0.000 0.986 544 E CA 0.970 57.292 56.400 -0.131 0.000 0.849 544 E CB -0.181 29.327 29.700 -0.320 0.000 0.797 544 E HN 0.521 nan 8.360 nan 0.000 0.482 545 F N -0.099 119.791 119.950 -0.099 0.000 2.728 545 F HA 0.156 4.695 4.527 0.019 0.000 0.314 545 F C 1.605 177.322 175.800 -0.139 0.000 1.094 545 F CA -0.380 57.599 58.000 -0.036 0.000 1.217 545 F CB 0.335 39.431 39.000 0.160 0.000 1.056 545 F HN -0.026 nan 8.300 nan 0.000 0.577 546 K N 0.767 121.028 120.400 -0.231 0.000 2.304 546 K HA -0.244 4.088 4.320 0.019 0.000 0.204 546 K C 0.736 177.304 176.600 -0.052 0.000 1.044 546 K CA 2.148 58.249 56.287 -0.310 0.000 0.932 546 K CB -0.558 31.577 32.500 -0.608 0.000 0.735 546 K HN 0.283 nan 8.250 nan 0.000 0.468 547 D N 1.102 121.501 120.400 -0.002 0.000 2.144 547 D HA -0.135 4.517 4.640 0.019 0.000 0.199 547 D C 1.741 178.065 176.300 0.040 0.000 0.984 547 D CA 0.915 54.934 54.000 0.031 0.000 0.834 547 D CB -0.124 40.698 40.800 0.037 0.000 0.955 547 D HN 0.258 nan 8.370 nan 0.000 0.465 548 R N 0.429 120.944 120.500 0.024 0.000 2.276 548 R HA 0.183 4.535 4.340 0.019 0.000 0.203 548 R C 1.195 177.433 176.300 -0.103 0.000 1.017 548 R CA -0.031 56.059 56.100 -0.016 0.000 1.010 548 R CB -0.547 29.720 30.300 -0.056 0.000 0.900 548 R HN 0.282 nan 8.270 nan 0.000 0.469 549 L N -0.127 121.062 121.223 -0.057 0.000 2.468 549 L HA 0.205 4.557 4.340 0.019 0.000 0.254 549 L C 0.725 177.611 176.870 0.026 0.000 1.171 549 L CA -0.483 54.278 54.840 -0.131 0.000 0.809 549 L CB 0.305 42.369 42.059 0.009 0.000 1.155 549 L HN 0.051 nan 8.230 nan 0.000 0.473 550 Y N -0.672 119.836 120.300 0.346 0.000 2.625 550 Y HA 0.298 4.860 4.550 0.019 0.000 0.285 550 Y C -0.438 175.410 175.900 -0.086 0.000 1.168 550 Y CA -0.667 57.503 58.100 0.117 0.000 1.250 550 Y CB 0.151 38.620 38.460 0.016 0.000 1.130 550 Y HN 0.225 nan 8.280 nan 0.000 0.526 551 F N -0.451 119.670 119.950 0.285 0.000 2.551 551 F HA 0.407 4.945 4.527 0.019 0.000 0.316 551 F C 0.885 176.806 175.800 0.202 0.000 1.089 551 F CA -1.162 57.005 58.000 0.277 0.000 0.915 551 F CB 0.788 40.043 39.000 0.426 0.000 1.186 551 F HN 0.085 nan 8.300 nan 0.000 0.456 552 D N 0.792 121.351 120.400 0.266 0.000 2.088 552 D HA -0.047 4.605 4.640 0.019 0.000 0.196 552 D C 0.046 176.441 176.300 0.158 0.000 0.983 552 D CA 2.088 56.193 54.000 0.174 0.000 0.846 552 D CB -0.292 40.581 40.800 0.121 0.000 0.992 552 D HN 0.631 nan 8.370 nan 0.000 0.448 553 D N -2.572 117.878 120.400 0.083 0.000 2.966 553 D HA 0.379 5.031 4.640 0.019 0.000 0.222 553 D C -2.231 173.887 176.300 -0.304 0.000 1.292 553 D CA -1.058 52.919 54.000 -0.038 0.000 0.907 553 D CB 2.118 42.981 40.800 0.104 0.000 1.621 553 D HN -0.083 nan 8.370 nan 0.000 0.557 554 P HA -0.092 nan 4.420 nan 0.000 0.217 554 P C -0.411 176.479 177.300 -0.683 0.000 1.151 554 P CA 1.379 63.734 63.100 -1.242 0.000 0.849 554 P CB 0.005 30.509 31.700 -1.994 0.000 0.787 565 R N 1.073 121.714 120.500 0.235 0.000 2.080 565 R HA 0.268 4.620 4.340 0.019 0.000 0.222 565 R C 2.311 178.799 176.300 0.314 0.000 1.107 565 R CA 1.991 58.282 56.100 0.319 0.000 0.980 565 R CB -0.830 29.553 30.300 0.140 0.000 0.879 565 R HN 0.358 nan 8.270 nan 0.000 0.439 566 K N -0.433 120.060 120.400 0.155 0.000 2.097 566 K HA -0.047 4.285 4.320 0.019 0.000 0.206 566 K C 1.774 178.417 176.600 0.072 0.000 1.049 566 K CA 1.652 57.986 56.287 0.077 0.000 0.933 566 K CB -0.578 31.919 32.500 -0.005 0.000 0.717 566 K HN 0.397 nan 8.250 nan 0.000 0.442 567 F N 0.051 119.949 119.950 -0.088 0.000 2.043 567 F HA -0.209 4.330 4.527 0.020 0.000 0.297 567 F C 1.543 177.227 175.800 -0.194 0.000 1.121 567 F CA 1.937 59.779 58.000 -0.262 0.000 1.199 567 F CB -0.341 38.326 39.000 -0.556 0.000 0.968 567 F HN 0.023 nan 8.300 nan 0.000 0.478 568 F N -0.074 120.104 119.950 0.380 0.000 2.407 568 F HA -0.033 4.505 4.527 0.019 0.000 0.299 568 F C 2.432 178.467 175.800 0.392 0.000 1.097 568 F CA 0.848 59.052 58.000 0.340 0.000 1.422 568 F CB -0.535 38.631 39.000 0.277 0.000 1.067 568 F HN -0.156 nan 8.300 nan 0.000 0.539 569 R N 0.045 120.877 120.500 0.554 0.000 2.090 569 R HA -0.058 4.294 4.340 0.019 0.000 0.228 569 R C 2.435 178.855 176.300 0.200 0.000 1.110 569 R CA 1.035 57.397 56.100 0.436 0.000 0.973 569 R CB -0.577 29.879 30.300 0.259 0.000 0.869 569 R HN 0.288 nan 8.270 nan 0.000 0.440 570 A N 0.516 123.366 122.820 0.050 0.000 1.898 570 A HA -0.181 4.151 4.320 0.019 0.000 0.216 570 A C 1.889 179.503 177.584 0.049 0.000 1.181 570 A CA 0.985 52.955 52.037 -0.112 0.000 0.620 570 A CB -0.553 18.184 19.000 -0.439 0.000 0.819 570 A HN 0.344 nan 8.150 nan 0.000 0.442 571 F N 0.703 120.677 119.950 0.040 0.000 2.186 571 F HA -0.083 4.456 4.527 0.020 0.000 0.299 571 F C 2.170 178.073 175.800 0.171 0.000 1.090 571 F CA 2.018 60.089 58.000 0.119 0.000 1.307 571 F CB -0.098 38.905 39.000 0.004 0.000 1.019 571 F HN 0.218 nan 8.300 nan 0.000 0.489 572 K N -0.442 120.105 120.400 0.245 0.000 2.057 572 K HA -0.156 4.176 4.320 0.019 0.000 0.207 572 K C 1.872 178.523 176.600 0.084 0.000 1.049 572 K CA 1.948 58.359 56.287 0.207 0.000 0.931 572 K CB -0.410 32.323 32.500 0.388 0.000 0.714 572 K HN 0.232 nan 8.250 nan 0.000 0.440 573 T N 0.779 115.378 114.554 0.076 0.000 2.788 573 T HA -0.113 4.248 4.350 0.019 0.000 0.268 573 T C 1.835 176.450 174.700 -0.141 0.000 1.044 573 T CA 1.275 63.346 62.100 -0.047 0.000 1.139 573 T CB -0.251 68.461 68.868 -0.261 0.000 0.867 573 T HN 0.420 nan 8.240 nan 0.000 0.454 574 A N 0.984 123.731 122.820 -0.122 0.000 2.015 574 A HA 0.093 4.424 4.320 0.019 0.000 0.219 574 A C 2.243 179.775 177.584 -0.087 0.000 1.163 574 A CA 0.934 52.941 52.037 -0.049 0.000 0.646 574 A CB -0.660 18.349 19.000 0.014 0.000 0.806 574 A HN 0.484 nan 8.150 nan 0.000 0.448 575 L N -0.846 120.244 121.223 -0.221 0.000 2.109 575 L HA -0.108 4.244 4.340 0.019 0.000 0.207 575 L C 2.470 179.136 176.870 -0.341 0.000 1.086 575 L CA 0.730 55.462 54.840 -0.180 0.000 0.760 575 L CB -0.525 41.490 42.059 -0.072 0.000 0.910 575 L HN 0.229 nan 8.230 nan 0.000 0.437 576 V N 0.271 119.901 119.914 -0.473 0.000 2.270 576 V HA -0.283 3.848 4.120 0.019 0.000 0.245 576 V C 2.439 178.414 176.094 -0.199 0.000 1.043 576 V CA 1.629 63.632 62.300 -0.496 0.000 1.014 576 V CB -0.394 31.333 31.823 -0.160 0.000 0.645 576 V HN 0.321 nan 8.190 nan 0.000 0.447 577 L N -0.622 120.453 121.223 -0.248 0.000 2.043 577 L HA -0.233 4.119 4.340 0.019 0.000 0.212 577 L C 2.502 179.317 176.870 -0.091 0.000 1.075 577 L CA 1.528 56.118 54.840 -0.416 0.000 0.752 577 L CB -0.661 40.688 42.059 -1.183 0.000 0.891 577 L HN 0.368 nan 8.230 nan 0.000 0.432 578 L N 0.182 121.478 121.223 0.122 0.000 2.046 578 L HA -0.137 4.215 4.340 0.019 0.000 0.208 578 L C 2.609 179.595 176.870 0.194 0.000 1.077 578 L CA 2.013 57.039 54.840 0.309 0.000 0.747 578 L CB -0.661 41.536 42.059 0.229 0.000 0.896 578 L HN 0.129 nan 8.230 nan 0.000 0.432 579 A N -0.819 122.079 122.820 0.131 0.000 1.972 579 A HA -0.254 4.078 4.320 0.019 0.000 0.219 579 A C 2.259 179.959 177.584 0.194 0.000 1.169 579 A CA 1.529 53.660 52.037 0.157 0.000 0.635 579 A CB -1.342 17.758 19.000 0.168 0.000 0.810 579 A HN 0.809 nan 8.150 nan 0.000 0.446 580 W N 1.584 122.880 121.300 -0.007 0.000 2.353 580 W HA -0.226 4.446 4.660 0.019 0.000 0.319 580 W C 1.911 178.453 176.519 0.039 0.000 1.207 580 W CA 2.021 59.369 57.345 0.004 0.000 1.291 580 W CB -0.196 29.233 29.460 -0.051 0.000 1.159 580 W HN 0.468 nan 8.180 nan 0.000 0.478 581 I N -0.497 120.136 120.570 0.104 0.000 2.756 581 I HA -0.155 4.026 4.170 0.019 0.000 0.262 581 I C 0.859 176.951 176.117 -0.042 0.000 1.225 581 I CA 1.348 62.642 61.300 -0.011 0.000 1.472 581 I CB -0.961 37.147 38.000 0.180 0.000 1.094 581 I HN -0.120 nan 8.210 nan 0.000 0.454 582 N N 2.162 120.868 118.700 0.011 0.000 2.362 582 N HA 0.027 4.779 4.740 0.019 0.000 0.211 582 N C -0.342 175.146 175.510 -0.036 0.000 1.170 582 N CA 0.182 53.231 53.050 -0.001 0.000 0.828 582 N CB -0.202 38.312 38.487 0.046 0.000 1.034 582 N HN 0.473 nan 8.380 nan 0.000 0.475 583 E N -0.421 119.712 120.200 -0.112 0.000 2.269 583 E HA -0.169 4.193 4.350 0.019 0.000 0.223 583 E C -0.751 175.822 176.600 -0.046 0.000 1.244 583 E CA 0.155 56.476 56.400 -0.133 0.000 0.713 583 E CB -1.372 28.255 29.700 -0.121 0.000 1.178 583 E HN 0.059 nan 8.360 nan 0.000 0.370 584 V N 0.768 120.688 119.914 0.011 0.000 2.546 584 V HA 0.212 4.344 4.120 0.019 0.000 0.284 584 V C -1.671 174.478 176.094 0.090 0.000 1.050 584 V CA -1.544 60.799 62.300 0.072 0.000 0.981 584 V CB 1.148 33.052 31.823 0.134 0.000 0.990 584 V HN 0.066 nan 8.190 nan 0.000 0.474 585 P HA 0.005 nan 4.420 nan 0.000 0.264 585 P C 0.851 178.240 177.300 0.149 0.000 1.183 585 P CA 0.342 63.500 63.100 0.098 0.000 0.763 585 P CB 0.603 32.349 31.700 0.077 0.000 0.807 586 E N 2.530 122.841 120.200 0.185 0.000 2.070 586 E HA -0.218 4.144 4.350 0.019 0.000 0.197 586 E C 2.158 178.844 176.600 0.143 0.000 1.004 586 E CA 1.844 58.377 56.400 0.221 0.000 0.805 586 E CB -0.616 29.238 29.700 0.257 0.000 0.744 586 E HN 0.682 nan 8.360 nan 0.000 0.451 587 G N 0.589 109.459 108.800 0.115 0.000 2.476 587 G HA2 -0.327 3.644 3.960 0.019 0.000 0.218 587 G HA3 -0.327 3.644 3.960 0.019 0.000 0.218 587 G C 1.310 176.260 174.900 0.083 0.000 1.164 587 G CA 0.991 46.142 45.100 0.086 0.000 0.768 587 G HN 0.305 nan 8.290 nan 0.000 0.560 588 E N -0.261 119.994 120.200 0.092 0.000 2.209 588 E HA -0.074 4.287 4.350 0.019 0.000 0.196 588 E C 2.459 179.136 176.600 0.128 0.000 0.993 588 E CA 0.486 56.941 56.400 0.092 0.000 0.819 588 E CB -0.103 29.654 29.700 0.094 0.000 0.745 588 E HN 0.543 nan 8.360 nan 0.000 0.477 589 I N -0.092 120.577 120.570 0.165 0.000 2.400 589 I HA -0.186 3.995 4.170 0.019 0.000 0.248 589 I C 2.235 178.449 176.117 0.162 0.000 1.109 589 I CA 0.377 61.820 61.300 0.237 0.000 1.425 589 I CB -0.020 38.101 38.000 0.202 0.000 1.094 589 I HN -0.034 nan 8.210 nan 0.000 0.425 590 V N 1.140 121.098 119.914 0.074 0.000 2.332 590 V HA -0.284 3.848 4.120 0.019 0.000 0.248 590 V C 2.265 178.374 176.094 0.026 0.000 1.055 590 V CA 1.905 64.215 62.300 0.017 0.000 1.038 590 V CB -0.673 31.158 31.823 0.013 0.000 0.651 590 V HN 0.449 nan 8.190 nan 0.000 0.450 591 E N 0.124 120.347 120.200 0.038 0.000 2.004 591 E HA -0.196 4.165 4.350 0.019 0.000 0.193 591 E C 2.121 178.709 176.600 -0.021 0.000 0.985 591 E CA 0.898 57.305 56.400 0.012 0.000 0.832 591 E CB -0.280 29.428 29.700 0.014 0.000 0.787 591 E HN 0.391 nan 8.360 nan 0.000 0.466 592 K N -0.275 120.096 120.400 -0.049 0.000 2.588 592 K HA -0.184 4.148 4.320 0.019 0.000 0.196 592 K C 0.283 176.556 176.600 -0.545 0.000 1.044 592 K CA 1.207 57.354 56.287 -0.234 0.000 0.934 592 K CB 0.051 32.420 32.500 -0.218 0.000 0.773 592 K HN 0.255 nan 8.250 nan 0.000 0.489 593 Y N -2.011 118.285 120.300 -0.006 0.000 2.648 593 Y HA 0.122 4.684 4.550 0.020 0.000 0.270 593 Y C 0.083 175.949 175.900 -0.057 0.000 1.043 593 Y CA -0.156 57.932 58.100 -0.020 0.000 1.238 593 Y CB 1.154 39.588 38.460 -0.044 0.000 1.385 593 Y HN -0.037 nan 8.280 nan 0.000 0.569 594 S N 0.686 116.409 115.700 0.038 0.000 3.797 594 S HA -0.108 4.373 4.470 0.019 0.000 0.374 594 S C -0.445 174.106 174.600 -0.081 0.000 0.970 594 S CA 0.506 58.701 58.200 -0.009 0.000 1.177 594 S CB -2.379 60.830 63.200 0.014 0.000 0.891 594 S HN 0.512 nan 8.310 nan 0.000 0.491 595 V N -2.763 117.071 119.914 -0.134 0.000 2.789 595 V HA 0.775 4.907 4.120 0.019 0.000 0.311 595 V C -0.222 175.744 176.094 -0.213 0.000 1.073 595 V CA -1.066 61.054 62.300 -0.299 0.000 0.921 595 V CB 2.103 33.537 31.823 -0.648 0.000 1.009 595 V HN 0.327 nan 8.190 nan 0.000 0.426 596 E N 5.061 125.140 120.200 -0.202 0.000 2.231 596 E HA 0.364 4.725 4.350 0.019 0.000 0.277 596 E C -1.732 174.745 176.600 -0.204 0.000 0.999 596 E CA -1.873 54.453 56.400 -0.124 0.000 0.827 596 E CB 2.077 31.758 29.700 -0.032 0.000 1.101 596 E HN 0.625 nan 8.360 nan 0.000 0.393 597 P HA -0.293 nan 4.420 nan 0.000 0.219 597 P C 1.281 178.112 177.300 -0.782 0.000 1.161 597 P CA 1.890 64.696 63.100 -0.490 0.000 0.909 597 P CB 0.019 31.589 31.700 -0.217 0.000 0.793 598 G N -0.286 108.325 108.800 -0.316 0.000 2.462 598 G HA2 -0.235 3.737 3.960 0.019 0.000 0.220 598 G HA3 -0.235 3.737 3.960 0.019 0.000 0.220 598 G C 1.260 176.084 174.900 -0.128 0.000 1.121 598 G CA 0.979 45.993 45.100 -0.144 0.000 0.758 598 G HN 0.240 nan 8.290 nan 0.000 0.559 599 D N 0.345 120.665 120.400 -0.133 0.000 2.162 599 D HA 0.015 4.667 4.640 0.019 0.000 0.203 599 D C 2.583 178.906 176.300 0.039 0.000 0.967 599 D CA 0.111 54.128 54.000 0.028 0.000 0.840 599 D CB 0.021 40.864 40.800 0.071 0.000 0.972 599 D HN 0.343 nan 8.370 nan 0.000 0.482 600 I N 0.642 121.076 120.570 -0.226 0.000 2.127 600 I HA -0.326 3.856 4.170 0.019 0.000 0.241 600 I C 2.355 178.275 176.117 -0.327 0.000 1.075 600 I CA 1.324 62.440 61.300 -0.306 0.000 1.334 600 I CB -0.418 37.260 38.000 -0.538 0.000 1.040 600 I HN 0.063 nan 8.210 nan 0.000 0.405 601 Y N 0.242 120.417 120.300 -0.208 0.000 2.128 601 Y HA -0.310 4.252 4.550 0.020 0.000 0.284 601 Y C 2.889 178.709 175.900 -0.133 0.000 1.154 601 Y CA 1.059 59.045 58.100 -0.190 0.000 1.149 601 Y CB -0.483 37.927 38.460 -0.084 0.000 0.976 601 Y HN 0.105 nan 8.280 nan 0.000 0.505 602 R N 0.699 121.240 120.500 0.067 0.000 2.091 602 R HA -0.187 4.165 4.340 0.019 0.000 0.238 602 R C 1.992 178.282 176.300 -0.016 0.000 1.136 602 R CA 1.745 57.868 56.100 0.039 0.000 0.959 602 R CB -0.279 30.052 30.300 0.052 0.000 0.856 602 R HN 0.283 nan 8.270 nan 0.000 0.437 603 I N 0.486 121.011 120.570 -0.075 0.000 2.353 603 I HA -0.181 4.000 4.170 0.019 0.000 0.248 603 I C 2.365 178.364 176.117 -0.197 0.000 1.119 603 I CA 0.866 62.054 61.300 -0.187 0.000 1.417 603 I CB -0.706 37.080 38.000 -0.357 0.000 1.078 603 I HN 0.110 nan 8.210 nan 0.000 0.421 604 V N 1.044 120.811 119.914 -0.245 0.000 2.261 604 V HA -0.303 3.828 4.120 0.019 0.000 0.246 604 V C 2.593 178.634 176.094 -0.087 0.000 1.047 604 V CA 2.156 64.293 62.300 -0.272 0.000 1.015 604 V CB -0.653 30.903 31.823 -0.445 0.000 0.642 604 V HN 0.468 nan 8.190 nan 0.000 0.446 605 E N -0.043 120.130 120.200 -0.044 0.000 2.065 605 E HA -0.291 4.071 4.350 0.019 0.000 0.201 605 E C 2.126 178.778 176.600 0.087 0.000 1.016 605 E CA 2.332 58.735 56.400 0.004 0.000 0.818 605 E CB -0.251 29.449 29.700 -0.001 0.000 0.749 605 E HN 0.633 nan 8.360 nan 0.000 0.453 606 T N 0.508 115.131 114.554 0.115 0.000 2.821 606 T HA -0.051 4.311 4.350 0.019 0.000 0.267 606 T C 1.842 176.681 174.700 0.232 0.000 1.046 606 T CA 1.102 63.373 62.100 0.285 0.000 1.139 606 T CB -0.285 68.717 68.868 0.223 0.000 0.871 606 T HN 0.384 nan 8.240 nan 0.000 0.454 607 A N 1.876 124.738 122.820 0.069 0.000 1.877 607 A HA -0.165 4.167 4.320 0.019 0.000 0.216 607 A C 2.327 179.983 177.584 0.120 0.000 1.186 607 A CA 1.694 53.753 52.037 0.037 0.000 0.620 607 A CB -0.593 18.352 19.000 -0.093 0.000 0.822 607 A HN 0.412 nan 8.150 nan 0.000 0.443 608 E N -0.779 119.497 120.200 0.127 0.000 2.070 608 E HA -0.257 4.104 4.350 0.019 0.000 0.197 608 E C 1.848 178.598 176.600 0.251 0.000 1.004 608 E CA 1.968 58.459 56.400 0.150 0.000 0.805 608 E CB -0.478 29.267 29.700 0.075 0.000 0.744 608 E HN 0.765 nan 8.360 nan 0.000 0.451 609 W N 1.456 122.809 121.300 0.089 0.000 2.363 609 W HA -0.109 4.564 4.660 0.022 0.000 0.296 609 W C 2.038 178.717 176.519 0.266 0.000 1.212 609 W CA 1.364 58.802 57.345 0.156 0.000 1.260 609 W CB -0.642 28.881 29.460 0.105 0.000 1.131 609 W HN 0.053 nan 8.180 nan 0.000 0.530 610 L N -0.252 120.931 121.223 -0.066 0.000 2.131 610 L HA -0.152 4.200 4.340 0.019 0.000 0.206 610 L C 2.280 179.158 176.870 0.012 0.000 1.087 610 L CA 0.876 55.622 54.840 -0.158 0.000 0.767 610 L CB -1.127 40.888 42.059 -0.073 0.000 0.917 610 L HN -0.202 nan 8.230 nan 0.000 0.441 611 V N -0.796 119.157 119.914 0.065 0.000 2.427 611 V HA -0.310 3.821 4.120 0.019 0.000 0.248 611 V C 2.229 178.345 176.094 0.038 0.000 1.051 611 V CA 1.669 63.988 62.300 0.032 0.000 1.048 611 V CB -0.649 31.241 31.823 0.112 0.000 0.666 611 V HN 0.413 nan 8.190 nan 0.000 0.456 612 Y N 1.611 121.933 120.300 0.037 0.000 2.145 612 Y HA -0.233 4.329 4.550 0.020 0.000 0.286 612 Y C 2.709 178.648 175.900 0.065 0.000 1.145 612 Y CA 1.922 60.064 58.100 0.070 0.000 1.148 612 Y CB -0.432 38.114 38.460 0.144 0.000 0.981 612 Y HN 0.212 nan 8.280 nan 0.000 0.507 613 S N 0.513 116.217 115.700 0.007 0.000 2.399 613 S HA -0.168 4.314 4.470 0.019 0.000 0.231 613 S C 1.869 176.455 174.600 -0.023 0.000 1.022 613 S CA 1.317 59.513 58.200 -0.006 0.000 0.983 613 S CB -0.660 62.609 63.200 0.116 0.000 0.803 613 S HN 0.501 nan 8.310 nan 0.000 0.480 614 L N 2.076 123.197 121.223 -0.170 0.000 2.056 614 L HA 0.057 4.408 4.340 0.019 0.000 0.207 614 L C 2.121 178.824 176.870 -0.278 0.000 1.078 614 L CA 1.786 56.346 54.840 -0.467 0.000 0.749 614 L CB -0.510 41.071 42.059 -0.797 0.000 0.901 614 L HN 0.107 nan 8.230 nan 0.000 0.433 615 K N -0.749 119.507 120.400 -0.239 0.000 2.026 615 K HA -0.186 4.146 4.320 0.019 0.000 0.208 615 K C 1.948 178.404 176.600 -0.240 0.000 1.048 615 K CA 1.517 57.679 56.287 -0.208 0.000 0.929 615 K CB -0.055 32.341 32.500 -0.173 0.000 0.713 615 K HN 0.309 nan 8.250 nan 0.000 0.439 616 E N 0.895 120.910 120.200 -0.307 0.000 2.110 616 E HA -0.172 4.190 4.350 0.019 0.000 0.193 616 E C 2.052 178.563 176.600 -0.149 0.000 0.988 616 E CA 0.778 57.028 56.400 -0.250 0.000 0.804 616 E CB -0.129 29.392 29.700 -0.298 0.000 0.745 616 E HN 0.362 nan 8.360 nan 0.000 0.458 617 I N 0.971 121.483 120.570 -0.097 0.000 2.252 617 I HA -0.192 3.990 4.170 0.019 0.000 0.245 617 I C 2.350 178.394 176.117 -0.121 0.000 1.102 617 I CA 0.939 62.214 61.300 -0.042 0.000 1.385 617 I CB -1.320 36.729 38.000 0.082 0.000 1.064 617 I HN -0.056 nan 8.210 nan 0.000 0.414 618 A N 0.988 123.702 122.820 -0.177 0.000 1.883 618 A HA -0.250 4.082 4.320 0.019 0.000 0.217 618 A C 2.356 179.713 177.584 -0.378 0.000 1.186 618 A CA 1.758 53.654 52.037 -0.236 0.000 0.624 618 A CB -0.606 18.255 19.000 -0.231 0.000 0.822 618 A HN 0.335 nan 8.150 nan 0.000 0.444 619 K N -0.521 119.617 120.400 -0.437 0.000 2.089 619 K HA -0.156 4.175 4.320 0.019 0.000 0.210 619 K C 1.714 178.052 176.600 -0.437 0.000 1.048 619 K CA 1.750 57.629 56.287 -0.680 0.000 0.926 619 K CB -0.449 31.853 32.500 -0.329 0.000 0.714 619 K HN 0.384 nan 8.250 nan 0.000 0.448 620 V N 1.167 120.959 119.914 -0.203 0.000 2.970 620 V HA -0.116 4.015 4.120 0.019 0.000 0.260 620 V C 1.543 177.587 176.094 -0.084 0.000 1.100 620 V CA 1.148 63.395 62.300 -0.088 0.000 1.122 620 V CB -0.368 31.426 31.823 -0.048 0.000 0.721 620 V HN 0.253 nan 8.190 nan 0.000 0.483 621 L N 0.598 121.741 121.223 -0.133 0.000 2.928 621 L HA 0.454 4.806 4.340 0.019 0.000 0.246 621 L C 1.759 178.586 176.870 -0.072 0.000 1.239 621 L CA 0.507 55.289 54.840 -0.097 0.000 1.035 621 L CB -0.188 41.805 42.059 -0.110 0.000 1.360 621 L HN 0.431 nan 8.230 nan 0.000 0.529 622 G N 0.728 109.508 108.800 -0.035 0.000 2.284 622 G HA2 -0.416 3.555 3.960 0.019 0.000 0.268 622 G HA3 -0.416 3.555 3.960 0.019 0.000 0.268 622 G C 0.747 175.712 174.900 0.107 0.000 0.980 622 G CA 0.449 45.651 45.100 0.170 0.000 0.631 622 G HN 0.566 nan 8.290 nan 0.000 0.548 623 A N 0.058 122.814 122.820 -0.107 0.000 3.051 623 A HA 0.575 4.907 4.320 0.019 0.000 0.275 623 A C 0.875 178.370 177.584 -0.148 0.000 1.900 623 A CA 0.590 52.571 52.037 -0.092 0.000 1.496 623 A CB -0.553 18.370 19.000 -0.129 0.000 1.013 623 A HN 0.548 nan 8.150 nan 0.000 0.611 624 Y N 0.429 120.709 120.300 -0.033 0.000 2.519 624 Y HA -0.073 4.489 4.550 0.019 0.000 0.287 624 Y C 2.249 178.140 175.900 -0.015 0.000 1.128 624 Y CA 1.200 59.287 58.100 -0.021 0.000 1.282 624 Y CB 0.011 38.463 38.460 -0.014 0.000 1.027 624 Y HN 0.808 nan 8.280 nan 0.000 0.551 625 E N 0.900 121.164 120.200 0.106 0.000 2.265 625 E HA -0.165 4.197 4.350 0.019 0.000 0.196 625 E C 1.448 178.068 176.600 0.032 0.000 0.996 625 E CA 1.647 58.081 56.400 0.057 0.000 0.832 625 E CB -0.598 29.115 29.700 0.020 0.000 0.756 625 E HN 0.694 nan 8.360 nan 0.000 0.491 626 I N -2.084 118.490 120.570 0.007 0.000 3.956 626 I HA 0.109 4.291 4.170 0.019 0.000 0.333 626 I C 1.685 177.845 176.117 0.071 0.000 1.302 626 I CA -0.280 61.032 61.300 0.021 0.000 1.122 626 I CB 0.388 38.361 38.000 -0.045 0.000 1.013 626 I HN -0.163 nan 8.210 nan 0.000 0.405 627 V N 2.031 121.966 119.914 0.036 0.000 2.332 627 V HA -0.248 3.883 4.120 0.019 0.000 0.248 627 V C 2.250 178.381 176.094 0.063 0.000 1.055 627 V CA 2.285 64.600 62.300 0.024 0.000 1.038 627 V CB -0.694 31.141 31.823 0.020 0.000 0.651 627 V HN 0.474 nan 8.190 nan 0.000 0.450 628 D N -1.061 119.392 120.400 0.089 0.000 2.084 628 D HA -0.203 4.448 4.640 0.019 0.000 0.194 628 D C 1.953 178.302 176.300 0.082 0.000 0.990 628 D CA 1.708 55.758 54.000 0.083 0.000 0.826 628 D CB -0.380 40.471 40.800 0.085 0.000 0.971 628 D HN 0.552 nan 8.370 nan 0.000 0.453 629 Y N 1.751 122.050 120.300 -0.001 0.000 2.069 629 Y HA -0.249 4.313 4.550 0.020 0.000 0.278 629 Y C 2.318 178.209 175.900 -0.014 0.000 1.175 629 Y CA 1.569 59.662 58.100 -0.012 0.000 1.134 629 Y CB -0.528 37.916 38.460 -0.026 0.000 0.965 629 Y HN -0.082 nan 8.280 nan 0.000 0.498 630 L N -0.071 121.191 121.223 0.065 0.000 2.083 630 L HA -0.200 4.151 4.340 0.019 0.000 0.209 630 L C 2.507 179.347 176.870 -0.050 0.000 1.083 630 L CA 1.763 56.589 54.840 -0.023 0.000 0.752 630 L CB -0.644 41.429 42.059 0.022 0.000 0.899 630 L HN 0.265 nan 8.230 nan 0.000 0.433 631 E N 0.138 120.335 120.200 -0.006 0.000 2.077 631 E HA -0.181 4.181 4.350 0.019 0.000 0.193 631 E C 1.967 178.570 176.600 0.004 0.000 0.989 631 E CA 2.078 58.500 56.400 0.036 0.000 0.800 631 E CB -0.236 29.499 29.700 0.060 0.000 0.746 631 E HN 0.264 nan 8.360 nan 0.000 0.452 632 T N 0.965 115.485 114.554 -0.057 0.000 2.708 632 T HA -0.149 4.213 4.350 0.019 0.000 0.266 632 T C 1.689 176.326 174.700 -0.105 0.000 1.037 632 T CA 1.348 63.400 62.100 -0.080 0.000 1.146 632 T CB -0.476 68.313 68.868 -0.131 0.000 0.865 632 T HN 0.170 nan 8.240 nan 0.000 0.435 633 L N 1.417 122.506 121.223 -0.223 0.000 2.127 633 L HA -0.014 4.338 4.340 0.019 0.000 0.211 633 L C 2.499 179.373 176.870 0.007 0.000 1.089 633 L CA 1.669 56.402 54.840 -0.178 0.000 0.757 633 L CB -0.520 41.337 42.059 -0.337 0.000 0.899 633 L HN 0.097 nan 8.230 nan 0.000 0.434 634 R N -1.024 119.492 120.500 0.027 0.000 2.083 634 R HA -0.143 4.208 4.340 0.019 0.000 0.237 634 R C 2.003 178.356 176.300 0.089 0.000 1.137 634 R CA 2.082 58.239 56.100 0.096 0.000 0.951 634 R CB -0.317 30.063 30.300 0.133 0.000 0.851 634 R HN 0.362 nan 8.270 nan 0.000 0.434 635 V N 1.135 121.097 119.914 0.081 0.000 2.427 635 V HA -0.181 3.951 4.120 0.019 0.000 0.248 635 V C 2.440 178.613 176.094 0.132 0.000 1.051 635 V CA 1.805 64.173 62.300 0.114 0.000 1.048 635 V CB -0.567 31.345 31.823 0.149 0.000 0.666 635 V HN 0.378 nan 8.190 nan 0.000 0.456 636 R N -0.269 120.290 120.500 0.097 0.000 2.096 636 R HA -0.115 4.237 4.340 0.019 0.000 0.235 636 R C 2.256 178.638 176.300 0.138 0.000 1.127 636 R CA 1.353 57.505 56.100 0.086 0.000 0.968 636 R CB -0.567 29.763 30.300 0.049 0.000 0.861 636 R HN 0.396 nan 8.270 nan 0.000 0.440 637 V N 1.444 121.482 119.914 0.208 0.000 2.427 637 V HA -0.244 3.888 4.120 0.019 0.000 0.248 637 V C 2.412 178.694 176.094 0.314 0.000 1.051 637 V CA 1.610 64.095 62.300 0.308 0.000 1.048 637 V CB -0.417 31.557 31.823 0.252 0.000 0.666 637 V HN 0.306 nan 8.190 nan 0.000 0.456 638 K N -0.449 120.003 120.400 0.086 0.000 2.009 638 K HA -0.195 4.137 4.320 0.019 0.000 0.210 638 K C 1.849 178.347 176.600 -0.171 0.000 1.049 638 K CA 2.169 58.361 56.287 -0.159 0.000 0.929 638 K CB -0.217 31.982 32.500 -0.502 0.000 0.714 638 K HN 0.575 nan 8.250 nan 0.000 0.440 639 Y N -0.597 119.797 120.300 0.156 0.000 2.458 639 Y HA 0.261 4.822 4.550 0.019 0.000 0.256 639 Y C 0.783 176.550 175.900 -0.223 0.000 1.159 639 Y CA -0.014 58.116 58.100 0.050 0.000 1.261 639 Y CB 1.026 39.465 38.460 -0.036 0.000 1.119 639 Y HN 0.283 nan 8.280 nan 0.000 0.524 640 G N 2.531 111.162 108.800 -0.282 0.000 2.367 640 G HA2 -0.274 3.697 3.960 0.019 0.000 0.295 640 G HA3 -0.274 3.697 3.960 0.019 0.000 0.295 640 G C -0.211 174.283 174.900 -0.676 0.000 1.019 640 G CA 0.655 44.980 45.100 -1.290 0.000 1.224 640 G HN 0.553 nan 8.290 nan 0.000 0.510 641 I N -3.507 116.890 120.570 -0.289 0.000 2.969 641 I HA 0.732 4.914 4.170 0.019 0.000 0.307 641 I C 0.212 176.251 176.117 -0.130 0.000 1.149 641 I CA -1.834 59.350 61.300 -0.194 0.000 1.008 641 I CB 1.650 39.577 38.000 -0.122 0.000 1.232 641 I HN 0.043 nan 8.210 nan 0.000 0.435 642 R N 1.760 122.175 120.500 -0.142 0.000 2.679 642 R HA 0.103 4.455 4.340 0.019 0.000 0.269 642 R C 0.991 177.218 176.300 -0.121 0.000 1.076 642 R CA -0.118 55.906 56.100 -0.125 0.000 1.160 642 R CB 0.703 30.909 30.300 -0.156 0.000 1.054 642 R HN 0.785 nan 8.270 nan 0.000 0.507 643 E N 1.493 121.636 120.200 -0.095 0.000 2.114 643 E HA -0.256 4.106 4.350 0.019 0.000 0.199 643 E C 0.748 177.295 176.600 -0.088 0.000 1.008 643 E CA 2.051 58.406 56.400 -0.075 0.000 0.810 643 E CB 0.155 29.823 29.700 -0.054 0.000 0.739 643 E HN 0.545 nan 8.360 nan 0.000 0.456 644 E N -0.047 120.063 120.200 -0.149 0.000 2.461 644 E HA -0.062 4.299 4.350 0.019 0.000 0.196 644 E C 1.214 177.698 176.600 -0.193 0.000 1.129 644 E CA 0.382 56.687 56.400 -0.158 0.000 0.902 644 E CB -0.061 29.500 29.700 -0.231 0.000 0.963 644 E HN 0.297 nan 8.360 nan 0.000 0.503 645 L N 0.090 121.214 121.223 -0.165 0.000 2.858 645 L HA 0.307 4.658 4.340 0.019 0.000 0.251 645 L C 1.484 178.304 176.870 -0.083 0.000 1.149 645 L CA -0.089 54.679 54.840 -0.121 0.000 0.955 645 L CB 0.041 42.005 42.059 -0.158 0.000 1.289 645 L HN 0.227 nan 8.230 nan 0.000 0.542 646 I N 0.950 121.487 120.570 -0.055 0.000 2.315 646 I HA -0.157 4.024 4.170 0.019 0.000 0.248 646 I C -0.291 175.796 176.117 -0.051 0.000 1.117 646 I CA 1.152 62.428 61.300 -0.041 0.000 1.404 646 I CB -1.213 36.787 38.000 -0.000 0.000 1.071 646 I HN 0.222 nan 8.210 nan 0.000 0.419 647 P HA -0.145 nan 4.420 nan 0.000 0.215 647 P C 1.741 179.011 177.300 -0.049 0.000 1.157 647 P CA 1.346 64.438 63.100 -0.014 0.000 0.868 647 P CB -0.031 31.682 31.700 0.021 0.000 0.788 648 L N -1.692 119.500 121.223 -0.052 0.000 2.642 648 L HA -0.069 4.282 4.340 0.019 0.000 0.236 648 L C 1.747 178.507 176.870 -0.184 0.000 1.169 648 L CA 0.561 55.350 54.840 -0.085 0.000 0.851 648 L CB -0.706 41.325 42.059 -0.046 0.000 0.968 648 L HN 0.033 nan 8.230 nan 0.000 0.453 649 M N -0.970 118.476 119.600 -0.257 0.000 2.556 649 M HA -0.022 4.469 4.480 0.019 0.000 0.245 649 M C 2.509 178.564 176.300 -0.409 0.000 1.128 649 M CA 0.830 55.850 55.300 -0.466 0.000 1.069 649 M CB -1.136 30.978 32.600 -0.810 0.000 1.469 649 M HN 0.429 nan 8.290 nan 0.000 0.494 650 Q N 0.902 120.539 119.800 -0.271 0.000 2.378 650 Q HA 0.156 4.508 4.340 0.019 0.000 0.205 650 Q C 1.185 176.902 176.000 -0.471 0.000 0.954 650 Q CA 0.509 56.158 55.803 -0.256 0.000 0.901 650 Q CB -0.754 27.913 28.738 -0.118 0.000 0.981 650 Q HN 0.566 nan 8.270 nan 0.000 0.483 651 L N 0.720 121.665 121.223 -0.464 0.000 2.506 651 L HA 0.017 4.369 4.340 0.019 0.000 0.281 651 L C -1.167 175.375 176.870 -0.547 0.000 1.228 651 L CA -1.273 53.203 54.840 -0.606 0.000 0.850 651 L CB 0.381 42.255 42.059 -0.309 0.000 1.110 651 L HN 0.148 nan 8.230 nan 0.000 0.496 652 P HA -0.214 nan 4.420 nan 0.000 0.221 652 P C 0.034 177.222 177.300 -0.187 0.000 1.160 652 P CA 1.898 64.822 63.100 -0.294 0.000 0.933 652 P CB -0.002 31.617 31.700 -0.135 0.000 0.793 653 L N -4.793 116.336 121.223 -0.157 0.000 2.409 653 L HA 0.854 5.205 4.340 0.019 0.000 0.255 653 L C 0.612 177.411 176.870 -0.117 0.000 1.027 653 L CA -0.288 54.486 54.840 -0.110 0.000 0.834 653 L CB 0.863 42.883 42.059 -0.065 0.000 1.426 653 L HN -0.020 nan 8.230 nan 0.000 0.411 654 V N -0.896 118.959 119.914 -0.097 0.000 6.013 654 V HA 0.717 4.849 4.120 0.019 0.000 0.097 654 V C 1.921 177.974 176.094 -0.069 0.000 1.090 654 V CA 1.219 63.462 62.300 -0.095 0.000 0.655 654 V CB -0.935 30.801 31.823 -0.146 0.000 0.833 654 V HN 2.945 nan 8.190 nan 0.000 0.713 655 G N 0.408 109.165 108.800 -0.073 0.000 2.888 655 G HA2 -0.068 3.903 3.960 0.019 0.000 0.441 655 G HA3 -0.068 3.903 3.960 0.019 0.000 0.441 655 G C 0.429 175.297 174.900 -0.054 0.000 1.461 655 G CA 1.108 46.201 45.100 -0.011 0.000 0.897 655 G HN 1.913 nan 8.290 nan 0.000 0.547 656 R N 0.259 120.720 120.500 -0.065 0.000 2.117 656 R HA -0.133 4.218 4.340 0.019 0.000 0.243 656 R C 2.499 178.747 176.300 -0.087 0.000 1.143 656 R CA 1.999 58.023 56.100 -0.128 0.000 0.968 656 R CB -0.347 29.799 30.300 -0.257 0.000 0.863 656 R HN 0.555 nan 8.270 nan 0.000 0.444 657 R N 1.255 121.725 120.500 -0.049 0.000 2.096 657 R HA -0.047 4.304 4.340 0.019 0.000 0.229 657 R C 2.357 178.643 176.300 -0.023 0.000 1.134 657 R CA 1.854 57.939 56.100 -0.024 0.000 0.917 657 R CB -0.709 29.591 30.300 -0.000 0.000 0.832 657 R HN 0.207 nan 8.270 nan 0.000 0.430 658 R N 0.481 120.967 120.500 -0.024 0.000 2.082 658 R HA -0.058 4.293 4.340 0.019 0.000 0.234 658 R C 2.468 178.754 176.300 -0.024 0.000 1.136 658 R CA 1.511 57.597 56.100 -0.022 0.000 0.935 658 R CB -0.864 29.418 30.300 -0.030 0.000 0.842 658 R HN 0.345 nan 8.270 nan 0.000 0.430 659 A N 1.394 124.187 122.820 -0.045 0.000 1.915 659 A HA -0.317 4.015 4.320 0.019 0.000 0.220 659 A C 2.181 179.763 177.584 -0.003 0.000 1.198 659 A CA 2.200 54.211 52.037 -0.043 0.000 0.647 659 A CB -0.544 18.401 19.000 -0.090 0.000 0.825 659 A HN 0.178 nan 8.150 nan 0.000 0.456 660 R N -0.369 120.118 120.500 -0.021 0.000 2.066 660 R HA 0.052 4.404 4.340 0.019 0.000 0.232 660 R C 2.301 178.628 176.300 0.046 0.000 1.131 660 R CA 1.822 57.920 56.100 -0.002 0.000 0.955 660 R CB -0.953 29.326 30.300 -0.035 0.000 0.851 660 R HN 0.433 nan 8.270 nan 0.000 0.432 661 A N 0.482 123.317 122.820 0.024 0.000 1.908 661 A HA -0.149 4.183 4.320 0.019 0.000 0.218 661 A C 2.228 179.835 177.584 0.039 0.000 1.181 661 A CA 1.615 53.669 52.037 0.028 0.000 0.627 661 A CB -0.674 18.333 19.000 0.013 0.000 0.818 661 A HN 0.343 nan 8.150 nan 0.000 0.445 662 L N -2.519 118.727 121.223 0.040 0.000 1.973 662 L HA -0.184 4.167 4.340 0.019 0.000 0.208 662 L C 2.568 179.472 176.870 0.057 0.000 1.073 662 L CA 2.007 56.867 54.840 0.035 0.000 0.746 662 L CB -0.846 41.226 42.059 0.022 0.000 0.891 662 L HN 0.574 nan 8.230 nan 0.000 0.433 663 Y N 1.223 121.506 120.300 -0.030 0.000 2.139 663 Y HA -0.404 4.157 4.550 0.019 0.000 0.282 663 Y C 2.640 178.529 175.900 -0.018 0.000 1.179 663 Y CA 2.524 60.608 58.100 -0.025 0.000 1.161 663 Y CB -0.649 37.793 38.460 -0.031 0.000 0.970 663 Y HN 0.311 nan 8.280 nan 0.000 0.511 664 N N -0.354 118.484 118.700 0.230 0.000 2.109 664 N HA -0.082 4.670 4.740 0.019 0.000 0.188 664 N C 1.901 177.427 175.510 0.028 0.000 1.034 664 N CA 1.485 54.621 53.050 0.144 0.000 0.846 664 N CB -1.386 37.180 38.487 0.131 0.000 1.010 664 N HN 0.547 nan 8.380 nan 0.000 0.425 665 S N -0.917 114.795 115.700 0.020 0.000 2.754 665 S HA 0.541 5.023 4.470 0.019 0.000 0.223 665 S C 1.290 175.875 174.600 -0.026 0.000 0.951 665 S CA 0.776 58.975 58.200 -0.002 0.000 0.954 665 S CB -0.606 62.598 63.200 0.006 0.000 0.780 665 S HN 1.366 nan 8.310 nan 0.000 0.509 666 G N -0.788 107.976 108.800 -0.059 0.000 2.251 666 G HA2 0.441 4.413 3.960 0.019 0.000 0.058 666 G HA3 0.441 4.413 3.960 0.019 0.000 0.058 666 G C 0.320 175.141 174.900 -0.132 0.000 0.922 666 G CA -0.108 44.943 45.100 -0.082 0.000 1.133 666 G HN 1.274 nan 8.290 nan 0.000 0.410 667 F N 0.993 120.888 119.950 -0.090 0.000 2.514 667 F HA 0.420 4.959 4.527 0.019 0.000 0.307 667 F C 1.552 177.263 175.800 -0.148 0.000 0.990 667 F CA 2.152 60.097 58.000 -0.091 0.000 1.229 667 F CB -0.420 38.556 39.000 -0.041 0.000 0.932 667 F HN 0.738 nan 8.300 nan 0.000 0.639 668 R N 0.157 120.587 120.500 -0.118 0.000 2.580 668 R HA 0.276 4.628 4.340 0.019 0.000 0.285 668 R C 0.217 176.522 176.300 0.008 0.000 0.947 668 R CA 0.852 56.894 56.100 -0.096 0.000 1.102 668 R CB 0.809 30.960 30.300 -0.249 0.000 1.696 668 R HN 0.813 nan 8.270 nan 0.000 0.506 669 S N -0.708 114.987 115.700 -0.008 0.000 2.709 669 S HA 0.461 4.942 4.470 0.019 0.000 0.302 669 S C 0.728 175.336 174.600 0.013 0.000 1.127 669 S CA -0.720 57.486 58.200 0.010 0.000 0.905 669 S CB 1.373 64.576 63.200 0.005 0.000 1.151 669 S HN 0.108 nan 8.310 nan 0.000 0.510 670 I N 1.452 122.037 120.570 0.026 0.000 2.500 670 I HA 0.005 4.186 4.170 0.019 0.000 0.252 670 I C 2.305 178.448 176.117 0.043 0.000 1.142 670 I CA 0.618 61.946 61.300 0.046 0.000 1.451 670 I CB -0.063 37.983 38.000 0.077 0.000 1.093 670 I HN 0.656 nan 8.210 nan 0.000 0.430 671 E N 0.885 121.101 120.200 0.027 0.000 2.152 671 E HA -0.198 4.163 4.350 0.019 0.000 0.192 671 E C 1.489 178.093 176.600 0.007 0.000 0.983 671 E CA 1.011 57.420 56.400 0.016 0.000 0.818 671 E CB -0.044 29.661 29.700 0.008 0.000 0.758 671 E HN 0.433 nan 8.360 nan 0.000 0.467 672 D N -0.191 120.210 120.400 0.002 0.000 2.178 672 D HA -0.147 4.504 4.640 0.019 0.000 0.201 672 D C 1.916 178.214 176.300 -0.004 0.000 0.980 672 D CA 1.398 55.392 54.000 -0.010 0.000 0.842 672 D CB -0.106 40.679 40.800 -0.025 0.000 0.948 672 D HN 0.300 nan 8.370 nan 0.000 0.472 673 I N 0.411 120.985 120.570 0.008 0.000 3.030 673 I HA 0.142 4.323 4.170 0.019 0.000 0.270 673 I C 2.518 178.648 176.117 0.021 0.000 1.211 673 I CA 1.449 62.758 61.300 0.014 0.000 1.479 673 I CB -1.422 36.592 38.000 0.023 0.000 1.105 673 I HN 0.111 nan 8.210 nan 0.000 0.447 674 S N 0.579 116.293 115.700 0.024 0.000 2.500 674 S HA -0.071 4.410 4.470 0.019 0.000 0.239 674 S C 1.447 176.051 174.600 0.006 0.000 0.989 674 S CA 1.233 59.443 58.200 0.018 0.000 0.951 674 S CB -0.377 62.831 63.200 0.013 0.000 0.759 674 S HN 0.977 nan 8.310 nan 0.000 0.523 675 Q N -0.943 118.859 119.800 0.003 0.000 2.632 675 Q HA 0.690 5.042 4.340 0.019 0.000 0.352 675 Q C -0.614 175.383 176.000 -0.004 0.000 0.821 675 Q CA -0.591 55.211 55.803 -0.002 0.000 1.060 675 Q CB 0.116 28.851 28.738 -0.005 0.000 1.429 675 Q HN 0.297 nan 8.270 nan 0.000 0.391 676 A N 0.495 123.314 122.820 -0.002 0.000 2.365 676 A HA 0.875 5.207 4.320 0.019 0.000 0.318 676 A C -0.125 177.458 177.584 -0.002 0.000 1.091 676 A CA -0.403 51.632 52.037 -0.005 0.000 0.763 676 A CB 1.173 20.170 19.000 -0.005 0.000 1.248 676 A HN 0.648 nan 8.150 nan 0.000 0.442 677 R N 2.654 123.152 120.500 -0.004 0.000 2.404 677 R HA 0.419 4.771 4.340 0.019 0.000 0.315 677 R C -2.111 174.188 176.300 -0.001 0.000 1.032 677 R CA -0.711 55.387 56.100 -0.002 0.000 0.992 677 R CB -1.306 28.992 30.300 -0.003 0.000 0.959 677 R HN 0.636 nan 8.270 nan 0.000 0.428 678 P HA -0.210 nan 4.420 nan 0.000 0.221 678 P C 1.612 178.913 177.300 0.001 0.000 1.141 678 P CA 1.910 65.011 63.100 0.003 0.000 0.794 678 P CB 0.328 32.031 31.700 0.004 0.000 0.764 679 E N -0.121 120.079 120.200 0.000 0.000 2.110 679 E HA -0.197 4.164 4.350 0.019 0.000 0.193 679 E C 1.914 178.513 176.600 -0.001 0.000 0.988 679 E CA 1.758 58.158 56.400 -0.000 0.000 0.804 679 E CB -1.789 27.910 29.700 -0.001 0.000 0.745 679 E HN 0.448 nan 8.360 nan 0.000 0.458 680 E N -0.011 120.188 120.200 -0.002 0.000 2.511 680 E HA 0.352 4.714 4.350 0.019 0.000 0.196 680 E C 1.889 178.487 176.600 -0.003 0.000 1.066 680 E CA 0.723 57.121 56.400 -0.004 0.000 0.871 680 E CB -0.455 29.242 29.700 -0.006 0.000 0.863 680 E HN 0.586 nan 8.360 nan 0.000 0.520 681 L N -1.094 120.128 121.223 -0.001 0.000 2.356 681 L HA 0.180 4.531 4.340 0.019 0.000 0.193 681 L C 3.116 179.986 176.870 0.000 0.000 1.087 681 L CA 0.921 55.760 54.840 -0.001 0.000 0.817 681 L CB -0.645 41.414 42.059 0.001 0.000 1.035 681 L HN 0.411 nan 8.230 nan 0.000 0.482 682 L N 0.738 121.961 121.223 0.001 0.000 2.447 682 L HA -0.115 4.237 4.340 0.019 0.000 0.225 682 L C 2.512 179.383 176.870 0.002 0.000 1.148 682 L CA 2.277 57.118 54.840 0.002 0.000 0.808 682 L CB -2.507 39.554 42.059 0.002 0.000 0.928 682 L HN 0.408 nan 8.230 nan 0.000 0.448 683 K N -0.886 119.514 120.400 0.001 0.000 2.611 683 K HA 0.549 4.881 4.320 0.019 0.000 0.193 683 K C 1.345 177.946 176.600 0.002 0.000 1.026 683 K CA 2.077 58.365 56.287 0.001 0.000 1.063 683 K CB -1.224 31.276 32.500 -0.000 0.000 0.839 683 K HN 1.974 nan 8.250 nan 0.000 0.505 684 I N -3.951 116.621 120.570 0.002 0.000 5.451 684 I HA 0.355 4.537 4.170 0.019 0.000 0.324 684 I C 1.044 177.163 176.117 0.003 0.000 0.941 684 I CA 0.772 62.074 61.300 0.004 0.000 1.700 684 I CB -1.011 36.992 38.000 0.004 0.000 2.427 684 I HN 0.567 nan 8.210 nan 0.000 0.804 693 E N 0.978 121.188 120.200 0.016 0.000 2.108 693 E HA -0.358 4.004 4.350 0.019 0.000 0.203 693 E C 2.072 178.692 176.600 0.032 0.000 1.022 693 E CA 3.567 59.979 56.400 0.021 0.000 0.823 693 E CB -1.066 28.643 29.700 0.015 0.000 0.744 693 E HN 1.071 nan 8.360 nan 0.000 0.456 694 A N 0.262 123.100 122.820 0.030 0.000 1.883 694 A HA -0.022 4.310 4.320 0.019 0.000 0.217 694 A C 2.565 180.199 177.584 0.084 0.000 1.186 694 A CA 1.641 53.704 52.037 0.044 0.000 0.624 694 A CB -0.431 18.579 19.000 0.016 0.000 0.822 694 A HN 0.562 nan 8.150 nan 0.000 0.444 695 I N -0.958 119.652 120.570 0.066 0.000 2.069 695 I HA -0.317 3.864 4.170 0.019 0.000 0.237 695 I C 2.916 179.122 176.117 0.148 0.000 1.053 695 I CA 2.300 63.666 61.300 0.110 0.000 1.311 695 I CB -0.832 37.200 38.000 0.055 0.000 1.030 695 I HN 0.448 nan 8.210 nan 0.000 0.398 696 F N 1.088 121.086 119.950 0.080 0.000 2.202 696 F HA -0.278 4.261 4.527 0.019 0.000 0.301 696 F C 2.779 178.611 175.800 0.053 0.000 1.082 696 F CA 2.407 60.440 58.000 0.055 0.000 1.313 696 F CB -1.681 37.337 39.000 0.031 0.000 1.024 696 F HN 0.249 nan 8.300 nan 0.000 0.495 697 K N -0.257 120.186 120.400 0.070 0.000 2.148 697 K HA 0.009 4.341 4.320 0.019 0.000 0.204 697 K C 2.080 178.732 176.600 0.087 0.000 1.050 697 K CA 1.373 57.697 56.287 0.062 0.000 0.942 697 K CB -1.535 31.003 32.500 0.063 0.000 0.724 697 K HN 0.739 nan 8.250 nan 0.000 0.446 698 F N 0.748 120.690 119.950 -0.013 0.000 2.206 698 F HA 0.240 4.778 4.527 0.018 0.000 0.298 698 F C 0.902 176.693 175.800 -0.015 0.000 1.090 698 F CA 0.258 58.249 58.000 -0.016 0.000 1.323 698 F CB 0.036 39.024 39.000 -0.020 0.000 1.028 698 F HN 0.079 nan 8.300 nan 0.000 0.492 699 L N 0.000 121.133 121.223 -0.149 0.000 2.949 699 L HA 0.000 4.352 4.340 0.019 0.000 0.249 699 L CA 0.000 54.705 54.840 -0.226 0.000 0.813 699 L CB 0.000 42.024 42.059 -0.058 0.000 0.961 699 L HN 0.000 nan 8.230 nan 0.000 0.502