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 2gks_1_A DATA FIRST_RESID 4 DATA SEQUENCE IKYLKSIQIS QRSVLDLELL AVGAFTPLDR FMGEEDYRNV VESMRLKSGT DATA SEQUENCE LFPIPITLPM EKEIAKDLKE GEWIVLRDPK NVPLAIMRVE EVYKWNLEYE DATA SEQUENCE AKNVLGTTDP RHPLVAEMHT WGEYYISGEL KVIQLPKYYD FPEYRKTPKQ DATA SEQUENCE VREEIKSLGL DKIVAFQTRN PMHRVHEELT KRAMEKVGGG LLLHPVVGLT DATA SEQUENCE KPGDVDVYTR MRIYKVLYEK YYDKKKTILA FLPLAMRMAG PREALWHGII DATA SEQUENCE RRNYGATHFI VGRDHASPGK DSKGKPFYDP YEAQELFKKY EDEIGIKMVP DATA SEQUENCE FEELVYVPEL DQYVEINEXX XXXXXXXXXX XXXIRENFLK QGRKLPEWFT DATA SEQUENCE RPEVAEILAE TYVPKHKQGF CVWLTGLPCA GKSTIAEILA TMLQARGRKV DATA SEQUENCE TLLDGDVVRT HLSRGLGFSK EDRITNILRV GFVASEIVKH NGVVICALVS DATA SEQUENCE PYRSARNQVR NMMEEGKFIE VFVDAPVEVC EERDVKGLYK KAXXXXXXGF DATA SEQUENCE TGVDDPYEPP VAPEVRVDTT KLTPEESALK ILEFLKKEGF IKD 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.119 176.117 0.003 0.000 1.063 4 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 4 I CB 0.000 37.995 38.000 -0.008 0.000 1.214 5 K N 0.956 121.355 120.400 -0.002 0.000 2.432 5 K HA 0.147 4.466 4.320 -0.000 0.000 0.196 5 K C 1.841 178.445 176.600 0.006 0.000 1.038 5 K CA 1.986 58.274 56.287 0.002 0.000 0.986 5 K CB -0.985 31.513 32.500 -0.002 0.000 0.782 5 K HN 0.598 nan 8.250 nan 0.000 0.485 6 Y N 1.241 121.546 120.300 0.008 0.000 2.510 6 Y HA 0.411 4.961 4.550 -0.000 0.000 0.273 6 Y C 0.898 176.813 175.900 0.026 0.000 1.119 6 Y CA -0.470 57.639 58.100 0.014 0.000 1.286 6 Y CB -0.185 38.282 38.460 0.012 0.000 1.061 6 Y HN 0.002 nan 8.280 nan 0.000 0.542 7 L N 1.254 122.498 121.223 0.034 0.000 2.418 7 L HA 0.267 4.607 4.340 -0.000 0.000 0.265 7 L C 0.249 177.143 176.870 0.041 0.000 1.143 7 L CA -0.780 54.093 54.840 0.054 0.000 0.809 7 L CB 1.289 43.394 42.059 0.078 0.000 1.124 7 L HN 0.227 nan 8.230 nan 0.000 0.456 8 K N 1.091 121.516 120.400 0.043 0.000 2.382 8 K HA 0.179 4.499 4.320 -0.000 0.000 0.275 8 K C -0.457 176.161 176.600 0.031 0.000 1.009 8 K CA -0.032 56.271 56.287 0.028 0.000 0.970 8 K CB 0.752 33.264 32.500 0.019 0.000 0.934 8 K HN 0.550 nan 8.250 nan 0.000 0.479 9 S N 2.471 118.182 115.700 0.019 0.000 2.537 9 S HA 0.600 5.070 4.470 -0.000 0.000 0.301 9 S C -0.406 174.198 174.600 0.007 0.000 1.092 9 S CA -0.909 57.301 58.200 0.017 0.000 1.048 9 S CB 0.870 64.079 63.200 0.015 0.000 1.053 9 S HN 0.564 nan 8.310 nan 0.000 0.501 10 I N -0.414 120.158 120.570 0.003 0.000 2.686 10 I HA 0.552 4.722 4.170 -0.000 0.000 0.295 10 I C -0.880 175.232 176.117 -0.008 0.000 1.114 10 I CA -0.943 60.352 61.300 -0.008 0.000 1.038 10 I CB 1.741 39.727 38.000 -0.023 0.000 1.238 10 I HN 0.376 nan 8.210 nan 0.000 0.420 11 Q N 5.222 125.017 119.800 -0.009 0.000 2.279 11 Q HA 0.575 4.915 4.340 -0.000 0.000 0.256 11 Q C -0.390 175.599 176.000 -0.019 0.000 0.937 11 Q CA -0.620 55.180 55.803 -0.006 0.000 0.933 11 Q CB 1.943 30.682 28.738 0.002 0.000 1.189 11 Q HN 0.717 nan 8.270 nan 0.000 0.417 12 I N -0.883 119.674 120.570 -0.023 0.000 2.783 12 I HA 0.544 4.714 4.170 -0.000 0.000 0.312 12 I C 0.295 176.397 176.117 -0.025 0.000 0.988 12 I CA -0.904 60.367 61.300 -0.049 0.000 1.182 12 I CB 1.540 39.498 38.000 -0.069 0.000 1.368 12 I HN 0.496 nan 8.210 nan 0.000 0.511 13 S N 1.899 117.572 115.700 -0.045 0.000 2.624 13 S HA 0.099 4.569 4.470 -0.000 0.000 0.263 13 S C 0.789 175.401 174.600 0.020 0.000 1.287 13 S CA -0.107 58.088 58.200 -0.008 0.000 0.990 13 S CB 1.483 64.665 63.200 -0.030 0.000 0.950 13 S HN 0.846 nan 8.310 nan 0.000 0.561 14 Q N 1.117 120.948 119.800 0.051 0.000 2.061 14 Q HA -0.192 4.147 4.340 -0.000 0.000 0.204 14 Q C 2.310 178.361 176.000 0.085 0.000 0.984 14 Q CA 2.247 58.095 55.803 0.075 0.000 0.846 14 Q CB -0.415 28.377 28.738 0.090 0.000 0.902 14 Q HN 0.834 nan 8.270 nan 0.000 0.421 15 R N -0.693 119.855 120.500 0.080 0.000 2.096 15 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 15 R C 2.214 178.563 176.300 0.081 0.000 1.139 15 R CA 2.020 58.172 56.100 0.087 0.000 0.952 15 R CB -0.475 29.864 30.300 0.065 0.000 0.854 15 R HN 0.293 nan 8.270 nan 0.000 0.436 16 S N -0.158 115.551 115.700 0.016 0.000 2.402 16 S HA -0.069 4.400 4.470 -0.000 0.000 0.229 16 S C 1.918 176.620 174.600 0.170 0.000 1.021 16 S CA 1.095 59.334 58.200 0.064 0.000 0.974 16 S CB -0.017 63.106 63.200 -0.127 0.000 0.800 16 S HN 0.177 nan 8.310 nan 0.000 0.484 17 V N 2.213 122.192 119.914 0.108 0.000 2.332 17 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 17 V C 2.129 178.303 176.094 0.134 0.000 1.055 17 V CA 1.663 64.031 62.300 0.113 0.000 1.038 17 V CB -0.689 31.182 31.823 0.080 0.000 0.651 17 V HN 0.428 nan 8.190 nan 0.000 0.450 18 L N -0.478 120.832 121.223 0.145 0.000 2.072 18 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 18 L C 2.354 179.319 176.870 0.158 0.000 1.079 18 L CA 1.395 56.324 54.840 0.148 0.000 0.752 18 L CB -0.740 41.410 42.059 0.152 0.000 0.906 18 L HN 0.305 nan 8.230 nan 0.000 0.436 19 D N 0.103 120.647 120.400 0.239 0.000 2.117 19 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 19 D C 2.068 178.446 176.300 0.130 0.000 0.987 19 D CA 1.084 55.282 54.000 0.330 0.000 0.829 19 D CB -0.158 40.885 40.800 0.405 0.000 0.961 19 D HN 0.125 nan 8.370 nan 0.000 0.460 20 L N 1.241 122.551 121.223 0.145 0.000 2.056 20 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 20 L C 2.103 178.965 176.870 -0.013 0.000 1.078 20 L CA 1.742 56.610 54.840 0.048 0.000 0.749 20 L CB -0.594 41.584 42.059 0.198 0.000 0.901 20 L HN -0.022 nan 8.230 nan 0.000 0.433 21 E N -0.515 119.695 120.200 0.017 0.000 2.038 21 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 21 E C 2.213 178.749 176.600 -0.107 0.000 1.000 21 E CA 1.843 58.238 56.400 -0.008 0.000 0.803 21 E CB -0.258 29.476 29.700 0.055 0.000 0.750 21 E HN 0.585 nan 8.360 nan 0.000 0.448 22 L N 0.508 121.602 121.223 -0.215 0.000 2.156 22 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 22 L C 2.556 179.075 176.870 -0.585 0.000 1.095 22 L CA 0.446 54.981 54.840 -0.508 0.000 0.770 22 L CB -0.251 41.261 42.059 -0.912 0.000 0.914 22 L HN 0.275 nan 8.230 nan 0.000 0.439 23 L N -0.292 120.711 121.223 -0.366 0.000 2.017 23 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 23 L C 2.860 179.645 176.870 -0.142 0.000 1.073 23 L CA 1.307 56.042 54.840 -0.175 0.000 0.745 23 L CB -0.643 41.312 42.059 -0.173 0.000 0.894 23 L HN 0.230 nan 8.230 nan 0.000 0.432 24 A N -0.211 122.534 122.820 -0.124 0.000 1.930 24 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 24 A C 2.091 179.622 177.584 -0.088 0.000 1.175 24 A CA 1.699 53.688 52.037 -0.080 0.000 0.627 24 A CB -0.727 18.245 19.000 -0.047 0.000 0.815 24 A HN 0.352 nan 8.150 nan 0.000 0.443 25 V N -3.767 116.075 119.914 -0.120 0.000 3.623 25 V HA 0.507 4.627 4.120 -0.000 0.000 0.271 25 V C 1.270 177.261 176.094 -0.172 0.000 1.248 25 V CA 0.771 62.994 62.300 -0.129 0.000 1.156 25 V CB -0.814 30.940 31.823 -0.115 0.000 0.870 25 V HN 1.511 nan 8.190 nan 0.000 0.453 26 G N -0.246 108.456 108.800 -0.164 0.000 2.132 26 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.234 26 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.234 26 G C 0.946 175.744 174.900 -0.171 0.000 0.989 26 G CA 0.383 45.401 45.100 -0.137 0.000 0.676 26 G HN 1.411 nan 8.290 nan 0.000 0.522 27 A N -0.420 122.244 122.820 -0.260 0.000 2.015 27 A HA 0.390 4.710 4.320 -0.000 0.000 0.219 27 A C 1.708 179.308 177.584 0.027 0.000 1.163 27 A CA 1.626 53.527 52.037 -0.227 0.000 0.646 27 A CB -0.292 18.556 19.000 -0.253 0.000 0.806 27 A HN 0.775 nan 8.150 nan 0.000 0.448 28 F N 0.549 120.548 119.950 0.081 0.000 2.660 28 F HA 0.076 4.603 4.527 -0.000 0.000 0.302 28 F C 0.560 176.480 175.800 0.200 0.000 1.103 28 F CA -0.600 57.535 58.000 0.225 0.000 1.340 28 F CB -0.092 39.062 39.000 0.256 0.000 1.048 28 F HN -0.090 nan 8.300 nan 0.000 0.551 29 T N 3.905 118.598 114.554 0.232 0.000 2.903 29 T HA -0.071 4.279 4.350 -0.000 0.000 0.299 29 T C -1.178 173.648 174.700 0.210 0.000 1.041 29 T CA -0.556 61.632 62.100 0.145 0.000 1.138 29 T CB 0.538 69.440 68.868 0.057 0.000 1.040 29 T HN 0.127 nan 8.240 nan 0.000 0.524 30 P HA 0.133 nan 4.420 nan 0.000 0.249 30 P C 0.345 177.664 177.300 0.031 0.000 1.229 30 P CA 0.029 63.175 63.100 0.077 0.000 0.788 30 P CB 0.260 31.996 31.700 0.061 0.000 1.072 31 L N 2.138 123.370 121.223 0.016 0.000 2.490 31 L HA 0.013 4.353 4.340 -0.000 0.000 0.274 31 L C 1.306 178.157 176.870 -0.032 0.000 1.201 31 L CA 0.655 55.439 54.840 -0.094 0.000 0.869 31 L CB 0.487 42.382 42.059 -0.273 0.000 1.123 31 L HN 0.060 nan 8.230 nan 0.000 0.484 32 D N 2.757 123.118 120.400 -0.065 0.000 2.538 32 D HA 0.094 4.734 4.640 -0.000 0.000 0.241 32 D C 0.046 176.297 176.300 -0.082 0.000 1.297 32 D CA -0.296 53.672 54.000 -0.054 0.000 0.804 32 D CB 0.623 41.407 40.800 -0.028 0.000 1.122 32 D HN 0.592 nan 8.370 nan 0.000 0.519 33 R N -1.354 119.071 120.500 -0.126 0.000 2.733 33 R HA 0.511 4.850 4.340 -0.000 0.000 0.272 33 R C -1.163 175.006 176.300 -0.218 0.000 1.029 33 R CA -0.928 55.091 56.100 -0.135 0.000 0.888 33 R CB 0.177 30.464 30.300 -0.020 0.000 1.251 33 R HN -0.238 nan 8.270 nan 0.000 0.464 34 F N 1.468 121.391 119.950 -0.045 0.000 2.506 34 F HA 0.213 4.740 4.527 -0.000 0.000 0.351 34 F C 1.197 176.947 175.800 -0.083 0.000 1.136 34 F CA -0.070 57.875 58.000 -0.092 0.000 1.298 34 F CB 0.565 39.491 39.000 -0.124 0.000 1.145 34 F HN 0.198 nan 8.300 nan 0.000 0.593 35 M N 2.331 121.976 119.600 0.075 0.000 2.239 35 M HA 0.180 4.659 4.480 -0.000 0.000 0.348 35 M C 0.824 177.217 176.300 0.154 0.000 1.239 35 M CA 0.086 55.420 55.300 0.056 0.000 1.114 35 M CB 0.216 32.847 32.600 0.051 0.000 1.641 35 M HN 0.776 nan 8.290 nan 0.000 0.453 36 G N 1.097 109.957 108.800 0.100 0.000 2.616 36 G HA2 0.078 4.038 3.960 -0.000 0.000 0.268 36 G HA3 0.078 4.038 3.960 -0.000 0.000 0.268 36 G C 0.461 175.307 174.900 -0.089 0.000 1.213 36 G CA -0.404 44.736 45.100 0.067 0.000 0.926 36 G HN 0.921 nan 8.290 nan 0.000 0.523 37 E N -0.628 119.258 120.200 -0.522 0.000 2.110 37 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 37 E C 2.127 178.627 176.600 -0.168 0.000 0.988 37 E CA 1.417 57.352 56.400 -0.774 0.000 0.804 37 E CB 0.056 29.164 29.700 -0.988 0.000 0.745 37 E HN 0.696 nan 8.360 nan 0.000 0.458 38 E N 0.304 120.438 120.200 -0.110 0.000 2.028 38 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 38 E C 1.910 178.514 176.600 0.007 0.000 0.988 38 E CA 1.235 57.615 56.400 -0.035 0.000 0.799 38 E CB 0.002 29.680 29.700 -0.037 0.000 0.755 38 E HN 0.228 nan 8.360 nan 0.000 0.447 39 D N 0.149 120.556 120.400 0.011 0.000 2.106 39 D HA -0.207 4.433 4.640 -0.000 0.000 0.191 39 D C 1.773 178.113 176.300 0.066 0.000 0.997 39 D CA 1.066 55.078 54.000 0.019 0.000 0.834 39 D CB -0.497 40.299 40.800 -0.007 0.000 0.956 39 D HN 0.176 nan 8.370 nan 0.000 0.448 40 Y N 1.820 122.120 120.300 0.000 0.000 2.114 40 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 40 Y C 2.333 178.301 175.900 0.114 0.000 1.165 40 Y CA 1.916 60.060 58.100 0.073 0.000 1.148 40 Y CB -0.169 38.412 38.460 0.202 0.000 0.972 40 Y HN -0.135 nan 8.280 nan 0.000 0.504 41 R N -0.029 120.474 120.500 0.006 0.000 2.092 41 R HA -0.117 4.222 4.340 -0.000 0.000 0.231 41 R C 2.023 178.302 176.300 -0.035 0.000 1.119 41 R CA 1.297 57.390 56.100 -0.012 0.000 0.970 41 R CB -0.327 30.038 30.300 0.108 0.000 0.864 41 R HN 0.462 nan 8.270 nan 0.000 0.440 42 N N 0.209 118.895 118.700 -0.024 0.000 2.331 42 N HA -0.087 4.653 4.740 -0.000 0.000 0.180 42 N C 1.753 177.227 175.510 -0.061 0.000 1.019 42 N CA 0.885 53.917 53.050 -0.029 0.000 0.881 42 N CB 0.193 38.674 38.487 -0.010 0.000 0.972 42 N HN 0.034 nan 8.380 nan 0.000 0.435 43 V N 0.998 120.863 119.914 -0.082 0.000 2.323 43 V HA -0.145 3.974 4.120 -0.000 0.000 0.244 43 V C 2.497 178.484 176.094 -0.178 0.000 1.041 43 V CA 1.042 63.283 62.300 -0.099 0.000 1.025 43 V CB -0.404 31.383 31.823 -0.060 0.000 0.656 43 V HN 0.006 nan 8.190 nan 0.000 0.451 44 V N 0.137 119.884 119.914 -0.278 0.000 2.255 44 V HA -0.308 3.811 4.120 -0.000 0.000 0.247 44 V C 2.393 178.312 176.094 -0.291 0.000 1.051 44 V CA 2.420 64.495 62.300 -0.375 0.000 1.018 44 V CB -0.635 30.800 31.823 -0.646 0.000 0.641 44 V HN 0.632 nan 8.190 nan 0.000 0.445 45 E N 0.117 120.195 120.200 -0.204 0.000 2.158 45 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 45 E C 1.748 178.296 176.600 -0.086 0.000 0.982 45 E CA 1.367 57.692 56.400 -0.125 0.000 0.823 45 E CB 0.014 29.694 29.700 -0.035 0.000 0.766 45 E HN 0.704 nan 8.360 nan 0.000 0.468 46 S N -0.887 114.765 115.700 -0.080 0.000 3.053 46 S HA 0.205 4.675 4.470 -0.000 0.000 0.255 46 S C 0.573 175.124 174.600 -0.080 0.000 0.976 46 S CA -0.407 57.760 58.200 -0.056 0.000 1.159 46 S CB 0.024 63.212 63.200 -0.020 0.000 1.110 46 S HN 0.203 nan 8.310 nan 0.000 0.633 47 M N -0.105 119.424 119.600 -0.118 0.000 2.682 47 M HA -0.198 4.282 4.480 -0.000 0.000 0.196 47 M C -0.323 175.917 176.300 -0.100 0.000 0.542 47 M CA 0.906 56.115 55.300 -0.153 0.000 0.593 47 M CB -1.766 30.678 32.600 -0.261 0.000 2.183 47 M HN 0.497 nan 8.290 nan 0.000 0.663 48 R N -0.026 120.446 120.500 -0.045 0.000 2.725 48 R HA 0.764 5.104 4.340 -0.000 0.000 0.277 48 R C -0.360 175.947 176.300 0.011 0.000 0.987 48 R CA -1.038 55.060 56.100 -0.003 0.000 0.901 48 R CB 1.879 32.178 30.300 -0.000 0.000 1.207 48 R HN 0.139 nan 8.270 nan 0.000 0.463 49 L N 2.106 123.347 121.223 0.031 0.000 2.476 49 L HA 0.078 4.418 4.340 -0.000 0.000 0.264 49 L C 1.745 178.617 176.870 0.004 0.000 1.224 49 L CA -0.095 54.750 54.840 0.008 0.000 0.821 49 L CB 0.323 42.382 42.059 0.001 0.000 1.101 49 L HN 0.604 nan 8.230 nan 0.000 0.488 50 K N 1.098 121.496 120.400 -0.003 0.000 2.113 50 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 50 K C 1.999 178.601 176.600 0.002 0.000 1.047 50 K CA 2.029 58.315 56.287 -0.002 0.000 0.928 50 K CB -0.235 32.261 32.500 -0.006 0.000 0.716 50 K HN 0.743 nan 8.250 nan 0.000 0.446 51 S N -1.975 113.727 115.700 0.003 0.000 2.447 51 S HA 0.043 4.513 4.470 -0.000 0.000 0.233 51 S C 1.662 176.270 174.600 0.013 0.000 1.006 51 S CA 0.980 59.184 58.200 0.007 0.000 0.957 51 S CB -0.201 63.004 63.200 0.007 0.000 0.773 51 S HN 0.591 nan 8.310 nan 0.000 0.507 52 G N -0.019 108.791 108.800 0.017 0.000 2.284 52 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.201 52 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.201 52 G C 0.185 175.104 174.900 0.031 0.000 0.998 52 G CA -0.114 44.999 45.100 0.022 0.000 0.651 52 G HN 0.608 nan 8.290 nan 0.000 0.489 53 T N 2.299 116.875 114.554 0.037 0.000 2.908 53 T HA 0.355 4.704 4.350 -0.000 0.000 0.301 53 T C 0.454 175.194 174.700 0.068 0.000 1.019 53 T CA 0.121 62.254 62.100 0.054 0.000 1.152 53 T CB 1.505 70.413 68.868 0.066 0.000 0.966 53 T HN 0.521 nan 8.240 nan 0.000 0.540 54 L N 4.437 125.689 121.223 0.049 0.000 2.500 54 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 54 L C -0.785 176.119 176.870 0.057 0.000 1.149 54 L CA 0.531 55.370 54.840 -0.003 0.000 0.897 54 L CB -0.561 41.457 42.059 -0.069 0.000 1.178 54 L HN 0.623 nan 8.230 nan 0.000 0.473 55 F N 7.439 127.323 119.950 -0.110 0.000 2.831 55 F HA 0.422 4.949 4.527 -0.000 0.000 0.346 55 F C -1.924 173.762 175.800 -0.190 0.000 1.224 55 F CA -1.206 56.725 58.000 -0.114 0.000 1.048 55 F CB 1.867 40.813 39.000 -0.090 0.000 1.339 55 F HN 0.438 nan 8.300 nan 0.000 0.514 56 P HA 0.104 nan 4.420 nan 0.000 0.239 56 P C -0.134 176.963 177.300 -0.338 0.000 1.188 56 P CA 0.788 63.703 63.100 -0.308 0.000 0.794 56 P CB 0.974 32.466 31.700 -0.347 0.000 0.937 57 I N 2.396 122.687 120.570 -0.466 0.000 2.418 57 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 57 I C -2.594 173.329 176.117 -0.324 0.000 1.008 57 I CA -3.392 57.538 61.300 -0.616 0.000 1.104 57 I CB 1.873 38.991 38.000 -1.471 0.000 1.264 57 I HN -0.232 nan 8.210 nan 0.000 0.438 58 P HA 0.246 nan 4.420 nan 0.000 0.271 58 P C -0.781 176.416 177.300 -0.171 0.000 1.216 58 P CA -0.157 62.885 63.100 -0.097 0.000 0.771 58 P CB 1.100 32.835 31.700 0.059 0.000 0.864 59 I N 3.365 123.838 120.570 -0.162 0.000 2.437 59 I HA 0.288 4.458 4.170 -0.000 0.000 0.279 59 I C 0.711 176.793 176.117 -0.058 0.000 1.028 59 I CA -0.282 60.937 61.300 -0.135 0.000 1.142 59 I CB 0.787 38.673 38.000 -0.190 0.000 1.266 59 I HN 0.373 nan 8.210 nan 0.000 0.461 60 T N 3.144 117.566 114.554 -0.220 0.000 2.901 60 T HA 0.736 5.086 4.350 -0.000 0.000 0.293 60 T C -0.899 173.364 174.700 -0.728 0.000 1.084 60 T CA -0.821 60.958 62.100 -0.535 0.000 1.008 60 T CB 2.573 70.525 68.868 -1.527 0.000 1.170 60 T HN 0.216 nan 8.240 nan 0.000 0.509 61 L N 2.228 122.934 121.223 -0.863 0.000 2.324 61 L HA 0.588 4.928 4.340 -0.000 0.000 0.274 61 L C -2.826 173.765 176.870 -0.466 0.000 1.012 61 L CA -2.168 52.133 54.840 -0.898 0.000 0.859 61 L CB 1.097 42.426 42.059 -1.216 0.000 1.224 61 L HN 0.436 nan 8.230 nan 0.000 0.429 62 P HA 0.409 nan 4.420 nan 0.000 0.275 62 P C -1.136 176.147 177.300 -0.029 0.000 1.228 62 P CA -0.333 62.751 63.100 -0.027 0.000 0.786 62 P CB 0.955 32.596 31.700 -0.100 0.000 0.927 63 M N 1.633 121.286 119.600 0.089 0.000 2.271 63 M HA 0.247 4.727 4.480 -0.000 0.000 0.285 63 M C -0.857 175.520 176.300 0.129 0.000 1.059 63 M CA -0.814 54.520 55.300 0.057 0.000 0.940 63 M CB 1.585 34.191 32.600 0.011 0.000 1.636 63 M HN 0.342 nan 8.290 nan 0.000 0.460 64 E N 4.053 124.306 120.200 0.089 0.000 2.414 64 E HA 0.044 4.394 4.350 -0.000 0.000 0.263 64 E C 0.345 176.989 176.600 0.073 0.000 1.000 64 E CA -0.179 56.283 56.400 0.103 0.000 0.914 64 E CB 0.760 30.501 29.700 0.068 0.000 0.948 64 E HN 0.784 nan 8.360 nan 0.000 0.444 65 K N 2.776 123.256 120.400 0.133 0.000 2.144 65 K HA -0.290 4.030 4.320 -0.000 0.000 0.209 65 K C 1.226 177.768 176.600 -0.096 0.000 1.047 65 K CA 1.953 58.283 56.287 0.072 0.000 0.927 65 K CB 0.080 32.700 32.500 0.200 0.000 0.716 65 K HN 0.587 nan 8.250 nan 0.000 0.454 66 E N 0.518 120.693 120.200 -0.041 0.000 2.107 66 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 66 E C 2.157 178.710 176.600 -0.079 0.000 0.982 66 E CA 0.960 57.325 56.400 -0.057 0.000 0.809 66 E CB -0.126 29.558 29.700 -0.026 0.000 0.756 66 E HN 0.465 nan 8.360 nan 0.000 0.459 67 I N 1.219 121.749 120.570 -0.067 0.000 2.252 67 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 67 I C 2.498 178.544 176.117 -0.118 0.000 1.102 67 I CA 1.007 62.264 61.300 -0.072 0.000 1.385 67 I CB -0.348 37.624 38.000 -0.046 0.000 1.064 67 I HN -0.018 nan 8.210 nan 0.000 0.414 68 A N 0.827 123.540 122.820 -0.180 0.000 1.940 68 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 68 A C 2.264 179.669 177.584 -0.298 0.000 1.176 68 A CA 1.727 53.598 52.037 -0.275 0.000 0.631 68 A CB -0.496 18.213 19.000 -0.486 0.000 0.814 68 A HN 0.342 nan 8.150 nan 0.000 0.446 69 K N -0.575 119.647 120.400 -0.298 0.000 2.283 69 K HA -0.125 4.195 4.320 -0.000 0.000 0.202 69 K C 0.508 177.030 176.600 -0.130 0.000 1.048 69 K CA 1.528 57.685 56.287 -0.218 0.000 0.948 69 K CB -0.161 32.236 32.500 -0.172 0.000 0.742 69 K HN 0.546 nan 8.250 nan 0.000 0.458 70 D N -0.048 120.286 120.400 -0.109 0.000 2.349 70 D HA 0.076 4.716 4.640 -0.000 0.000 0.214 70 D C -0.333 175.929 176.300 -0.064 0.000 1.063 70 D CA 0.057 54.014 54.000 -0.072 0.000 0.847 70 D CB 0.308 41.075 40.800 -0.055 0.000 0.933 70 D HN -0.001 nan 8.370 nan 0.000 0.513 71 L N 1.210 122.385 121.223 -0.080 0.000 2.416 71 L HA 0.242 4.581 4.340 -0.000 0.000 0.272 71 L C 0.424 177.260 176.870 -0.057 0.000 1.161 71 L CA -0.001 54.799 54.840 -0.067 0.000 0.845 71 L CB 0.739 42.751 42.059 -0.079 0.000 1.119 71 L HN -0.195 nan 8.230 nan 0.000 0.464 72 K N 2.644 123.017 120.400 -0.046 0.000 2.206 72 K HA 0.278 4.598 4.320 -0.000 0.000 0.264 72 K C -0.607 175.963 176.600 -0.049 0.000 0.967 72 K CA -0.666 55.597 56.287 -0.039 0.000 0.844 72 K CB 1.343 33.828 32.500 -0.025 0.000 1.099 72 K HN 0.451 nan 8.250 nan 0.000 0.441 73 E N 0.815 120.989 120.200 -0.043 0.000 2.558 73 E HA -0.038 4.311 4.350 -0.000 0.000 0.255 73 E C 0.843 177.403 176.600 -0.067 0.000 0.968 73 E CA 0.743 57.113 56.400 -0.050 0.000 0.939 73 E CB 0.206 29.887 29.700 -0.032 0.000 0.921 73 E HN 0.899 nan 8.360 nan 0.000 0.477 74 G N 2.894 111.628 108.800 -0.111 0.000 2.176 74 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.253 74 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.253 74 G C 0.163 174.934 174.900 -0.215 0.000 0.979 74 G CA 0.510 45.517 45.100 -0.155 0.000 0.641 74 G HN 0.682 nan 8.290 nan 0.000 0.530 75 E N -0.320 119.782 120.200 -0.163 0.000 2.373 75 E HA 0.434 4.784 4.350 -0.000 0.000 0.263 75 E C -0.371 176.105 176.600 -0.207 0.000 1.073 75 E CA -1.007 55.331 56.400 -0.102 0.000 0.894 75 E CB 0.612 30.299 29.700 -0.022 0.000 1.008 75 E HN 0.359 nan 8.360 nan 0.000 0.420 76 W N 3.541 124.842 121.300 0.003 0.000 2.351 76 W HA 0.381 5.041 4.660 -0.000 0.000 0.311 76 W C 0.062 176.582 176.519 0.001 0.000 1.168 76 W CA -0.645 56.703 57.345 0.004 0.000 1.200 76 W CB 0.739 30.202 29.460 0.005 0.000 1.221 76 W HN 0.471 nan 8.180 nan 0.000 0.519 77 I N 0.387 121.088 120.570 0.218 0.000 2.846 77 I HA 0.748 4.918 4.170 -0.000 0.000 0.307 77 I C -0.938 175.265 176.117 0.144 0.000 1.053 77 I CA -1.455 59.925 61.300 0.132 0.000 1.050 77 I CB 1.722 39.752 38.000 0.051 0.000 1.239 77 I HN -0.040 nan 8.210 nan 0.000 0.439 78 V N 5.255 125.224 119.914 0.093 0.000 2.432 78 V HA 0.334 4.454 4.120 -0.000 0.000 0.275 78 V C 0.246 176.372 176.094 0.052 0.000 1.043 78 V CA -0.473 61.872 62.300 0.075 0.000 0.925 78 V CB 1.114 32.967 31.823 0.050 0.000 0.985 78 V HN 0.481 nan 8.190 nan 0.000 0.466 79 L N 6.530 127.788 121.223 0.057 0.000 2.257 79 L HA 0.575 4.915 4.340 -0.000 0.000 0.290 79 L C 0.320 177.210 176.870 0.033 0.000 1.044 79 L CA -0.256 54.607 54.840 0.038 0.000 0.810 79 L CB 0.692 42.784 42.059 0.055 0.000 1.193 79 L HN 0.576 nan 8.230 nan 0.000 0.425 80 R N 1.187 121.698 120.500 0.019 0.000 2.778 80 R HA 0.338 4.678 4.340 -0.000 0.000 0.277 80 R C -0.801 175.508 176.300 0.014 0.000 0.977 80 R CA -0.945 55.165 56.100 0.017 0.000 0.950 80 R CB 1.975 32.283 30.300 0.013 0.000 1.165 80 R HN 0.638 nan 8.270 nan 0.000 0.474 81 D N 1.669 122.078 120.400 0.015 0.000 2.398 81 D HA 0.101 4.741 4.640 -0.000 0.000 0.247 81 D C -1.856 174.454 176.300 0.016 0.000 1.227 81 D CA -1.963 52.047 54.000 0.017 0.000 0.980 81 D CB 0.161 40.969 40.800 0.014 0.000 1.106 81 D HN 0.109 nan 8.370 nan 0.000 0.493 82 P HA -0.086 nan 4.420 nan 0.000 0.227 82 P C 0.280 177.593 177.300 0.022 0.000 1.145 82 P CA 1.374 64.489 63.100 0.025 0.000 0.769 82 P CB 0.111 31.833 31.700 0.036 0.000 0.769 83 K N -1.849 118.563 120.400 0.019 0.000 2.438 83 K HA 0.196 4.516 4.320 -0.000 0.000 0.205 83 K C 0.140 176.747 176.600 0.011 0.000 1.033 83 K CA -0.152 56.145 56.287 0.016 0.000 1.089 83 K CB -0.147 32.364 32.500 0.018 0.000 0.857 83 K HN -0.036 nan 8.250 nan 0.000 0.522 84 N N 0.513 119.219 118.700 0.011 0.000 2.901 84 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 84 N C -0.826 174.689 175.510 0.009 0.000 1.044 84 N CA 0.065 53.121 53.050 0.009 0.000 0.847 84 N CB -0.529 37.962 38.487 0.007 0.000 1.127 84 N HN -0.110 nan 8.380 nan 0.000 0.562 85 V N 2.070 121.989 119.914 0.009 0.000 2.488 85 V HA 0.309 4.429 4.120 -0.000 0.000 0.277 85 V C -1.836 174.264 176.094 0.009 0.000 1.046 85 V CA -0.765 61.540 62.300 0.007 0.000 0.986 85 V CB 1.146 32.972 31.823 0.005 0.000 0.989 85 V HN 0.047 nan 8.190 nan 0.000 0.475 86 P HA 0.304 nan 4.420 nan 0.000 0.287 86 P C 0.219 177.529 177.300 0.017 0.000 1.294 86 P CA -0.090 63.019 63.100 0.016 0.000 0.776 86 P CB 1.186 32.894 31.700 0.014 0.000 0.889 87 L N 1.953 123.192 121.223 0.026 0.000 2.425 87 L HA 0.451 4.790 4.340 -0.000 0.000 0.215 87 L C 1.057 177.950 176.870 0.040 0.000 1.065 87 L CA 0.448 55.304 54.840 0.028 0.000 0.842 87 L CB 0.109 42.189 42.059 0.034 0.000 1.033 87 L HN 0.404 nan 8.230 nan 0.000 0.474 88 A N 0.420 123.274 122.820 0.057 0.000 2.601 88 A HA 0.624 4.944 4.320 -0.000 0.000 0.291 88 A C -1.309 176.334 177.584 0.099 0.000 1.075 88 A CA -0.585 51.498 52.037 0.076 0.000 0.671 88 A CB 1.116 20.177 19.000 0.102 0.000 1.277 88 A HN 0.134 nan 8.150 nan 0.000 0.417 89 I N -1.319 119.330 120.570 0.131 0.000 2.437 89 I HA 0.833 5.003 4.170 -0.000 0.000 0.298 89 I C -0.322 176.008 176.117 0.356 0.000 0.984 89 I CA -0.719 60.716 61.300 0.225 0.000 1.214 89 I CB 1.767 39.888 38.000 0.202 0.000 1.365 89 I HN 0.758 nan 8.210 nan 0.000 0.469 90 M N 5.117 124.916 119.600 0.332 0.000 2.395 90 M HA 0.471 4.951 4.480 -0.000 0.000 0.307 90 M C -0.994 175.266 176.300 -0.067 0.000 1.091 90 M CA -0.725 54.686 55.300 0.186 0.000 0.919 90 M CB 2.408 35.069 32.600 0.101 0.000 1.662 90 M HN 0.771 nan 8.290 nan 0.000 0.440 91 R N 2.870 123.059 120.500 -0.519 0.000 2.297 91 R HA 0.498 4.838 4.340 -0.000 0.000 0.308 91 R C -1.367 174.679 176.300 -0.423 0.000 1.029 91 R CA -0.436 55.100 56.100 -0.940 0.000 0.929 91 R CB 1.119 30.525 30.300 -1.490 0.000 1.046 91 R HN 0.604 nan 8.270 nan 0.000 0.461 92 V N 5.862 125.577 119.914 -0.332 0.000 2.338 92 V HA 0.063 4.183 4.120 -0.000 0.000 0.255 92 V C 0.552 176.554 176.094 -0.153 0.000 1.082 92 V CA 0.342 62.538 62.300 -0.175 0.000 0.951 92 V CB 0.780 32.530 31.823 -0.122 0.000 1.102 92 V HN 0.929 nan 8.190 nan 0.000 0.489 93 E N 2.763 122.895 120.200 -0.113 0.000 2.340 93 E HA 0.187 4.537 4.350 -0.000 0.000 0.198 93 E C 0.169 176.762 176.600 -0.010 0.000 0.961 93 E CA 0.241 56.595 56.400 -0.076 0.000 0.905 93 E CB 0.882 30.533 29.700 -0.081 0.000 0.884 93 E HN 0.711 nan 8.360 nan 0.000 0.491 94 E N 0.631 120.852 120.200 0.036 0.000 2.292 94 E HA 0.419 4.769 4.350 -0.000 0.000 0.272 94 E C -1.517 175.183 176.600 0.168 0.000 0.881 94 E CA -0.537 55.938 56.400 0.125 0.000 0.754 94 E CB 3.242 33.054 29.700 0.187 0.000 1.201 94 E HN -0.192 nan 8.360 nan 0.000 0.425 95 V N 3.400 123.435 119.914 0.202 0.000 2.524 95 V HA 0.434 4.554 4.120 -0.000 0.000 0.297 95 V C -1.374 174.921 176.094 0.335 0.000 1.035 95 V CA -0.858 61.552 62.300 0.185 0.000 0.867 95 V CB 0.540 32.401 31.823 0.063 0.000 1.004 95 V HN 0.650 nan 8.190 nan 0.000 0.426 96 Y N 2.018 122.443 120.300 0.208 0.000 2.562 96 Y HA 0.774 5.324 4.550 -0.000 0.000 0.345 96 Y C -0.483 175.452 175.900 0.058 0.000 1.045 96 Y CA -1.497 56.694 58.100 0.153 0.000 1.028 96 Y CB 1.485 39.996 38.460 0.086 0.000 1.297 96 Y HN 0.403 nan 8.280 nan 0.000 0.463 97 K N 2.951 123.322 120.400 -0.048 0.000 2.154 97 K HA 0.252 4.572 4.320 -0.000 0.000 0.264 97 K C -0.734 175.792 176.600 -0.124 0.000 1.008 97 K CA -0.538 55.492 56.287 -0.428 0.000 0.937 97 K CB 0.874 33.057 32.500 -0.528 0.000 1.002 97 K HN 0.803 nan 8.250 nan 0.000 0.469 98 W N 0.814 121.834 121.300 -0.467 0.000 2.894 98 W HA 0.470 5.130 4.660 -0.000 0.000 0.345 98 W C -0.939 175.489 176.519 -0.151 0.000 1.152 98 W CA -0.884 56.309 57.345 -0.254 0.000 1.089 98 W CB 0.543 29.663 29.460 -0.568 0.000 1.454 98 W HN 0.398 nan 8.180 nan 0.000 0.589 99 N N 1.691 120.507 118.700 0.192 0.000 2.346 99 N HA 0.185 4.925 4.740 -0.000 0.000 0.289 99 N C 0.085 175.744 175.510 0.250 0.000 1.027 99 N CA -0.380 52.671 53.050 0.001 0.000 0.864 99 N CB 2.634 41.139 38.487 0.029 0.000 1.370 99 N HN 0.646 nan 8.380 nan 0.000 0.481 100 L N 3.547 124.753 121.223 -0.029 0.000 2.027 100 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 100 L C 2.218 179.153 176.870 0.109 0.000 1.074 100 L CA 1.616 56.533 54.840 0.129 0.000 0.745 100 L CB -0.094 41.871 42.059 -0.157 0.000 0.898 100 L HN 0.711 nan 8.230 nan 0.000 0.433 101 E N -1.241 118.993 120.200 0.056 0.000 2.085 101 E HA -0.323 4.027 4.350 -0.000 0.000 0.194 101 E C 2.091 178.758 176.600 0.113 0.000 0.994 101 E CA 1.690 58.126 56.400 0.060 0.000 0.801 101 E CB -0.333 29.395 29.700 0.047 0.000 0.743 101 E HN 0.594 nan 8.360 nan 0.000 0.453 102 Y N 1.460 121.786 120.300 0.043 0.000 2.097 102 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 102 Y C 2.187 178.123 175.900 0.060 0.000 1.152 102 Y CA 2.415 60.548 58.100 0.055 0.000 1.136 102 Y CB -0.305 38.207 38.460 0.088 0.000 0.975 102 Y HN 0.084 nan 8.280 nan 0.000 0.498 103 E N -0.258 120.017 120.200 0.124 0.000 2.072 103 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 103 E C 2.280 178.841 176.600 -0.065 0.000 0.982 103 E CA 0.927 57.333 56.400 0.011 0.000 0.803 103 E CB -0.325 29.597 29.700 0.370 0.000 0.755 103 E HN 0.552 nan 8.360 nan 0.000 0.453 104 A N 1.172 123.975 122.820 -0.028 0.000 1.873 104 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 104 A C 2.119 179.633 177.584 -0.116 0.000 1.186 104 A CA 1.845 53.816 52.037 -0.111 0.000 0.616 104 A CB -0.421 18.506 19.000 -0.122 0.000 0.823 104 A HN 0.104 nan 8.150 nan 0.000 0.442 105 K N 0.333 120.686 120.400 -0.078 0.000 2.057 105 K HA -0.073 4.247 4.320 -0.000 0.000 0.206 105 K C 1.847 178.398 176.600 -0.082 0.000 1.050 105 K CA 1.736 57.988 56.287 -0.060 0.000 0.935 105 K CB -0.247 32.237 32.500 -0.027 0.000 0.715 105 K HN 0.494 nan 8.250 nan 0.000 0.439 106 N N -0.358 118.251 118.700 -0.152 0.000 2.109 106 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 106 N C 1.692 177.108 175.510 -0.155 0.000 1.034 106 N CA 1.584 54.523 53.050 -0.185 0.000 0.846 106 N CB -0.059 38.222 38.487 -0.342 0.000 1.010 106 N HN 0.006 nan 8.380 nan 0.000 0.425 107 V N 1.430 121.239 119.914 -0.175 0.000 2.488 107 V HA -0.045 4.075 4.120 -0.000 0.000 0.246 107 V C 2.144 178.176 176.094 -0.102 0.000 1.046 107 V CA 1.110 63.316 62.300 -0.157 0.000 1.053 107 V CB -0.192 31.527 31.823 -0.173 0.000 0.679 107 V HN 0.191 nan 8.190 nan 0.000 0.458 108 L N -0.352 120.813 121.223 -0.096 0.000 2.515 108 L HA 0.415 4.754 4.340 -0.000 0.000 0.223 108 L C 1.839 178.771 176.870 0.103 0.000 1.079 108 L CA 0.875 55.686 54.840 -0.049 0.000 0.857 108 L CB -0.081 41.771 42.059 -0.346 0.000 1.050 108 L HN 0.496 nan 8.230 nan 0.000 0.476 109 G N 0.331 109.159 108.800 0.046 0.000 2.179 109 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 109 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 109 G C 0.328 175.254 174.900 0.043 0.000 0.977 109 G CA 0.445 45.592 45.100 0.079 0.000 0.641 109 G HN 0.345 nan 8.290 nan 0.000 0.533 110 T N -1.481 113.071 114.554 -0.003 0.000 2.853 110 T HA 0.624 4.974 4.350 -0.000 0.000 0.311 110 T C 0.761 175.448 174.700 -0.022 0.000 1.307 110 T CA 1.125 63.242 62.100 0.028 0.000 1.019 110 T CB 1.400 70.352 68.868 0.141 0.000 1.264 110 T HN 0.893 nan 8.240 nan 0.000 0.497 111 T N -0.872 113.698 114.554 0.027 0.000 3.145 111 T HA 0.297 4.646 4.350 -0.000 0.000 0.281 111 T C 0.075 174.820 174.700 0.076 0.000 1.003 111 T CA -0.386 61.727 62.100 0.021 0.000 0.901 111 T CB 0.076 68.961 68.868 0.029 0.000 1.112 111 T HN 0.501 nan 8.240 nan 0.000 0.535 112 D N 3.208 123.684 120.400 0.126 0.000 2.401 112 D HA 0.151 4.791 4.640 -0.000 0.000 0.254 112 D C -1.595 174.814 176.300 0.183 0.000 1.192 112 D CA -1.879 52.226 54.000 0.174 0.000 0.885 112 D CB 1.855 42.821 40.800 0.276 0.000 1.147 112 D HN 0.044 nan 8.370 nan 0.000 0.478 113 P HA -0.053 nan 4.420 nan 0.000 0.225 113 P C 1.298 178.685 177.300 0.145 0.000 1.148 113 P CA 0.330 63.513 63.100 0.139 0.000 0.779 113 P CB 0.310 32.059 31.700 0.082 0.000 0.780 114 R N -0.990 119.620 120.500 0.184 0.000 2.127 114 R HA -0.109 4.231 4.340 -0.000 0.000 0.238 114 R C 1.029 177.487 176.300 0.262 0.000 1.134 114 R CA 0.810 57.041 56.100 0.217 0.000 0.975 114 R CB -1.478 28.964 30.300 0.236 0.000 0.865 114 R HN 0.372 nan 8.270 nan 0.000 0.447 115 H N 2.468 121.628 119.070 0.150 0.000 2.975 115 H HA 0.014 4.570 4.556 -0.000 0.000 0.303 115 H C -1.496 173.774 175.328 -0.096 0.000 1.023 115 H CA -1.635 54.292 56.048 -0.202 0.000 1.473 115 H CB 1.348 30.798 29.762 -0.519 0.000 1.498 115 H HN -0.038 nan 8.280 nan 0.000 0.549 116 P HA -0.191 nan 4.420 nan 0.000 0.216 116 P C 1.758 179.125 177.300 0.112 0.000 1.150 116 P CA 0.607 63.736 63.100 0.048 0.000 0.837 116 P CB 0.475 32.170 31.700 -0.009 0.000 0.786 117 L N -0.445 120.923 121.223 0.242 0.000 2.072 117 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 117 L C 2.593 179.383 176.870 -0.134 0.000 1.079 117 L CA 1.348 56.230 54.840 0.071 0.000 0.752 117 L CB -1.065 41.044 42.059 0.083 0.000 0.906 117 L HN -0.246 nan 8.230 nan 0.000 0.436 118 V N -0.160 119.696 119.914 -0.096 0.000 2.287 118 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 118 V C 2.735 178.787 176.094 -0.069 0.000 1.053 118 V CA 1.766 63.970 62.300 -0.160 0.000 1.027 118 V CB -1.254 30.521 31.823 -0.080 0.000 0.646 118 V HN 0.583 nan 8.190 nan 0.000 0.447 119 A N -0.807 122.040 122.820 0.044 0.000 1.908 119 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 119 A C 2.308 179.909 177.584 0.028 0.000 1.181 119 A CA 2.052 54.146 52.037 0.095 0.000 0.627 119 A CB -0.515 18.533 19.000 0.081 0.000 0.818 119 A HN 0.619 nan 8.150 nan 0.000 0.445 120 E N -0.784 119.382 120.200 -0.057 0.000 2.150 120 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 120 E C 1.995 178.321 176.600 -0.458 0.000 0.985 120 E CA 1.011 57.354 56.400 -0.096 0.000 0.814 120 E CB -0.160 29.555 29.700 0.025 0.000 0.752 120 E HN 0.677 nan 8.360 nan 0.000 0.466 121 M N -0.096 119.026 119.600 -0.798 0.000 2.213 121 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 121 M C 1.764 177.820 176.300 -0.406 0.000 1.062 121 M CA 1.004 55.584 55.300 -1.200 0.000 1.105 121 M CB -0.167 31.869 32.600 -0.940 0.000 1.385 121 M HN 0.136 nan 8.290 nan 0.000 0.417 122 H N -0.669 118.301 119.070 -0.168 0.000 2.561 122 H HA -0.022 4.534 4.556 -0.000 0.000 0.278 122 H C 2.008 177.354 175.328 0.029 0.000 1.014 122 H CA 1.717 57.741 56.048 -0.039 0.000 1.211 122 H CB -0.234 29.502 29.762 -0.043 0.000 1.365 122 H HN 0.482 nan 8.280 nan 0.000 0.594 123 T N -3.715 110.926 114.554 0.144 0.000 3.023 123 T HA -0.005 4.345 4.350 -0.000 0.000 0.253 123 T C 0.434 175.366 174.700 0.387 0.000 1.038 123 T CA -0.539 61.695 62.100 0.223 0.000 0.962 123 T CB 0.014 69.003 68.868 0.202 0.000 1.018 123 T HN -0.030 nan 8.240 nan 0.000 0.521 124 W N 2.683 124.114 121.300 0.219 0.000 2.218 124 W HA 0.681 5.341 4.660 -0.000 0.000 0.326 124 W C 1.136 177.841 176.519 0.311 0.000 1.276 124 W CA -1.352 56.146 57.345 0.255 0.000 1.210 124 W CB -0.074 29.552 29.460 0.277 0.000 1.143 124 W HN 0.276 nan 8.180 nan 0.000 0.563 125 G N 1.498 110.561 108.800 0.438 0.000 2.484 125 G HA2 0.009 3.968 3.960 -0.000 0.000 0.235 125 G HA3 0.009 3.968 3.960 -0.000 0.000 0.235 125 G C 0.460 175.632 174.900 0.454 0.000 1.282 125 G CA -0.416 44.881 45.100 0.330 0.000 0.857 125 G HN 0.637 nan 8.290 nan 0.000 0.571 126 E N 0.029 120.367 120.200 0.232 0.000 2.511 126 E HA 0.026 4.376 4.350 -0.000 0.000 0.196 126 E C -0.563 175.863 176.600 -0.289 0.000 1.066 126 E CA 0.528 56.844 56.400 -0.140 0.000 0.871 126 E CB 0.144 29.687 29.700 -0.262 0.000 0.863 126 E HN 0.545 nan 8.360 nan 0.000 0.520 127 Y N -0.625 119.711 120.300 0.060 0.000 2.485 127 Y HA 0.337 4.887 4.550 -0.000 0.000 0.345 127 Y C -0.510 175.334 175.900 -0.094 0.000 0.998 127 Y CA -1.025 57.042 58.100 -0.055 0.000 1.059 127 Y CB 1.166 39.583 38.460 -0.072 0.000 1.234 127 Y HN -0.126 nan 8.280 nan 0.000 0.461 128 Y N 3.506 123.623 120.300 -0.305 0.000 2.360 128 Y HA 0.552 5.102 4.550 -0.000 0.000 0.337 128 Y C -0.283 175.308 175.900 -0.515 0.000 1.039 128 Y CA -1.122 56.595 58.100 -0.638 0.000 1.109 128 Y CB 1.305 39.068 38.460 -1.161 0.000 1.201 128 Y HN 0.238 nan 8.280 nan 0.000 0.458 129 I N 1.832 122.313 120.570 -0.148 0.000 2.603 129 I HA 0.473 4.643 4.170 -0.000 0.000 0.300 129 I C -0.241 175.860 176.117 -0.027 0.000 1.017 129 I CA -0.617 60.639 61.300 -0.072 0.000 1.098 129 I CB 1.581 39.525 38.000 -0.092 0.000 1.279 129 I HN 0.471 nan 8.210 nan 0.000 0.437 130 S N 1.891 117.623 115.700 0.055 0.000 2.537 130 S HA 0.924 5.394 4.470 -0.000 0.000 0.270 130 S C -0.654 173.967 174.600 0.035 0.000 1.142 130 S CA 0.077 58.333 58.200 0.093 0.000 0.870 130 S CB 2.029 65.328 63.200 0.164 0.000 1.112 130 S HN 1.330 nan 8.310 nan 0.000 0.466 131 G N 1.691 110.508 108.800 0.028 0.000 2.337 131 G HA2 0.285 4.245 3.960 -0.000 0.000 0.298 131 G HA3 0.285 4.245 3.960 -0.000 0.000 0.298 131 G C -1.465 173.421 174.900 -0.024 0.000 1.335 131 G CA -0.805 44.270 45.100 -0.043 0.000 0.875 131 G HN 0.815 nan 8.290 nan 0.000 0.579 132 E N -0.584 119.577 120.200 -0.065 0.000 2.529 132 E HA 0.200 4.549 4.350 -0.000 0.000 0.259 132 E C -0.301 176.370 176.600 0.120 0.000 0.966 132 E CA 0.199 56.616 56.400 0.029 0.000 0.937 132 E CB 0.275 30.018 29.700 0.073 0.000 0.923 132 E HN 0.356 nan 8.360 nan 0.000 0.468 133 L N 4.887 126.204 121.223 0.157 0.000 2.317 133 L HA 0.405 4.745 4.340 -0.000 0.000 0.281 133 L C -0.192 176.795 176.870 0.195 0.000 1.024 133 L CA -0.565 54.388 54.840 0.189 0.000 0.810 133 L CB 1.438 43.564 42.059 0.112 0.000 1.240 133 L HN 0.431 nan 8.230 nan 0.000 0.427 134 K N 2.908 123.432 120.400 0.207 0.000 2.450 134 K HA 0.424 4.744 4.320 -0.000 0.000 0.257 134 K C -1.049 175.588 176.600 0.062 0.000 0.953 134 K CA -0.704 55.640 56.287 0.095 0.000 0.844 134 K CB 2.402 34.911 32.500 0.015 0.000 1.103 134 K HN 0.227 nan 8.250 nan 0.000 0.429 135 V N 5.125 125.060 119.914 0.035 0.000 2.572 135 V HA 0.041 4.160 4.120 -0.000 0.000 0.291 135 V C 1.397 177.495 176.094 0.008 0.000 1.039 135 V CA 0.374 62.688 62.300 0.024 0.000 1.055 135 V CB 0.612 32.441 31.823 0.009 0.000 0.969 135 V HN 0.746 nan 8.190 nan 0.000 0.482 136 I N 2.807 123.383 120.570 0.010 0.000 2.810 136 I HA 0.101 4.271 4.170 -0.000 0.000 0.262 136 I C 0.826 176.941 176.117 -0.004 0.000 1.131 136 I CA 0.564 61.863 61.300 -0.001 0.000 1.453 136 I CB 0.200 38.201 38.000 0.002 0.000 1.161 136 I HN 0.821 nan 8.210 nan 0.000 0.444 137 Q N 0.548 120.348 119.800 -0.000 0.000 2.545 137 Q HA 0.450 4.790 4.340 -0.000 0.000 0.273 137 Q C -1.535 174.460 176.000 -0.007 0.000 0.975 137 Q CA -0.769 55.030 55.803 -0.006 0.000 0.876 137 Q CB 1.809 30.542 28.738 -0.009 0.000 1.472 137 Q HN 0.039 nan 8.270 nan 0.000 0.389 138 L N 1.514 122.729 121.223 -0.013 0.000 2.418 138 L HA 0.480 4.820 4.340 -0.000 0.000 0.265 138 L C -1.989 174.854 176.870 -0.046 0.000 1.143 138 L CA -1.959 52.874 54.840 -0.012 0.000 0.809 138 L CB 0.128 42.188 42.059 0.002 0.000 1.124 138 L HN 0.513 nan 8.230 nan 0.000 0.456 139 P HA 0.049 nan 4.420 nan 0.000 0.266 139 P C -1.122 175.973 177.300 -0.342 0.000 1.195 139 P CA -0.067 62.900 63.100 -0.220 0.000 0.768 139 P CB 0.453 31.992 31.700 -0.268 0.000 0.838 140 K N 2.666 122.828 120.400 -0.396 0.000 2.244 140 K HA 0.431 4.751 4.320 -0.000 0.000 0.260 140 K C -1.243 175.009 176.600 -0.580 0.000 0.951 140 K CA -0.540 55.517 56.287 -0.384 0.000 0.826 140 K CB 0.553 32.923 32.500 -0.217 0.000 1.108 140 K HN 0.327 nan 8.250 nan 0.000 0.433 141 Y N 2.202 122.293 120.300 -0.349 0.000 2.524 141 Y HA 0.332 4.882 4.550 -0.000 0.000 0.344 141 Y C -0.481 175.122 175.900 -0.494 0.000 1.012 141 Y CA -0.570 57.390 58.100 -0.234 0.000 1.068 141 Y CB 1.594 40.029 38.460 -0.041 0.000 1.249 141 Y HN 0.523 nan 8.280 nan 0.000 0.468 142 Y N -0.303 120.130 120.300 0.222 0.000 2.721 142 Y HA 0.119 4.668 4.550 -0.000 0.000 0.251 142 Y C 0.099 176.030 175.900 0.052 0.000 1.136 142 Y CA -0.827 57.337 58.100 0.106 0.000 1.142 142 Y CB 0.193 38.693 38.460 0.067 0.000 1.212 142 Y HN 0.635 nan 8.280 nan 0.000 0.565 143 D N -0.254 120.237 120.400 0.150 0.000 2.844 143 D HA 0.063 4.703 4.640 -0.000 0.000 0.271 143 D C 0.039 176.090 176.300 -0.415 0.000 1.386 143 D CA 0.579 54.523 54.000 -0.094 0.000 1.053 143 D CB -0.234 40.628 40.800 0.103 0.000 1.107 143 D HN 0.060 nan 8.370 nan 0.000 0.395 144 F N 0.684 120.801 119.950 0.278 0.000 2.584 144 F HA 0.373 4.900 4.527 -0.000 0.000 0.328 144 F C -1.851 174.026 175.800 0.129 0.000 1.407 144 F CA -1.769 56.391 58.000 0.267 0.000 1.145 144 F CB 1.798 41.096 39.000 0.496 0.000 1.440 144 F HN -0.061 nan 8.300 nan 0.000 0.580 145 P HA -0.238 nan 4.420 nan 0.000 0.219 145 P C 1.431 178.717 177.300 -0.022 0.000 1.146 145 P CA 1.530 64.665 63.100 0.059 0.000 0.808 145 P CB 0.220 31.925 31.700 0.008 0.000 0.779 146 E N 0.022 120.174 120.200 -0.080 0.000 2.209 146 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 146 E C 1.214 177.528 176.600 -0.475 0.000 0.993 146 E CA 1.358 57.589 56.400 -0.283 0.000 0.819 146 E CB -1.175 28.302 29.700 -0.371 0.000 0.745 146 E HN 0.395 nan 8.360 nan 0.000 0.477 147 Y N 0.586 120.737 120.300 -0.249 0.000 2.458 147 Y HA 0.272 4.822 4.550 -0.000 0.000 0.256 147 Y C 0.818 176.463 175.900 -0.425 0.000 1.159 147 Y CA -0.417 57.350 58.100 -0.556 0.000 1.261 147 Y CB 0.561 38.242 38.460 -1.299 0.000 1.119 147 Y HN -0.233 nan 8.280 nan 0.000 0.524 148 R N 1.942 122.398 120.500 -0.075 0.000 2.248 148 R HA 0.254 4.594 4.340 -0.000 0.000 0.337 148 R C -0.686 175.618 176.300 0.006 0.000 1.106 148 R CA 0.008 56.110 56.100 0.003 0.000 0.959 148 R CB 0.282 30.588 30.300 0.011 0.000 1.075 148 R HN 0.046 nan 8.270 nan 0.000 0.480 149 K N 1.232 121.655 120.400 0.038 0.000 2.324 149 K HA 0.224 4.544 4.320 -0.000 0.000 0.253 149 K C -0.016 176.670 176.600 0.142 0.000 0.932 149 K CA -0.699 55.617 56.287 0.047 0.000 0.799 149 K CB 2.166 34.672 32.500 0.010 0.000 1.154 149 K HN 0.434 nan 8.250 nan 0.000 0.425 150 T N -0.697 113.899 114.554 0.069 0.000 2.828 150 T HA 0.155 4.505 4.350 -0.000 0.000 0.290 150 T C -1.850 172.804 174.700 -0.077 0.000 1.019 150 T CA -1.590 60.520 62.100 0.016 0.000 1.031 150 T CB 0.774 69.612 68.868 -0.051 0.000 1.001 150 T HN 0.185 nan 8.240 nan 0.000 0.531 151 P HA -0.166 nan 4.420 nan 0.000 0.216 151 P C 1.568 178.722 177.300 -0.244 0.000 1.157 151 P CA 1.381 64.097 63.100 -0.640 0.000 0.880 151 P CB 0.043 31.298 31.700 -0.741 0.000 0.791 152 K N -0.278 120.018 120.400 -0.174 0.000 2.032 152 K HA -0.229 4.091 4.320 -0.000 0.000 0.209 152 K C 2.215 178.776 176.600 -0.065 0.000 1.048 152 K CA 1.670 57.897 56.287 -0.100 0.000 0.927 152 K CB -0.282 32.169 32.500 -0.082 0.000 0.712 152 K HN 0.146 nan 8.250 nan 0.000 0.441 153 Q N -0.169 119.599 119.800 -0.053 0.000 2.079 153 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 153 Q C 2.109 178.094 176.000 -0.025 0.000 0.974 153 Q CA 1.482 57.265 55.803 -0.033 0.000 0.840 153 Q CB 0.111 28.833 28.738 -0.027 0.000 0.898 153 Q HN 0.148 nan 8.270 nan 0.000 0.430 154 V N 0.885 120.795 119.914 -0.006 0.000 2.343 154 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 154 V C 2.099 178.186 176.094 -0.011 0.000 1.051 154 V CA 1.795 64.094 62.300 -0.002 0.000 1.036 154 V CB -0.483 31.375 31.823 0.058 0.000 0.654 154 V HN 0.280 nan 8.190 nan 0.000 0.451 155 R N -0.245 120.242 120.500 -0.021 0.000 2.115 155 R HA -0.144 4.196 4.340 -0.000 0.000 0.230 155 R C 2.311 178.601 176.300 -0.016 0.000 1.111 155 R CA 1.426 57.514 56.100 -0.020 0.000 0.976 155 R CB -0.205 30.073 30.300 -0.036 0.000 0.870 155 R HN 0.609 nan 8.270 nan 0.000 0.445 156 E N 0.344 120.531 120.200 -0.022 0.000 2.072 156 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 156 E C 1.839 178.432 176.600 -0.011 0.000 0.985 156 E CA 0.916 57.306 56.400 -0.017 0.000 0.801 156 E CB 0.091 29.778 29.700 -0.022 0.000 0.750 156 E HN 0.317 nan 8.360 nan 0.000 0.452 157 E N 0.613 120.805 120.200 -0.013 0.000 2.150 157 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 157 E C 2.027 178.628 176.600 0.001 0.000 0.985 157 E CA 0.543 56.938 56.400 -0.008 0.000 0.814 157 E CB 0.034 29.725 29.700 -0.016 0.000 0.752 157 E HN 0.223 nan 8.360 nan 0.000 0.466 158 I N 1.135 121.705 120.570 -0.000 0.000 2.163 158 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 158 I C 2.392 178.517 176.117 0.012 0.000 1.085 158 I CA 1.402 62.707 61.300 0.009 0.000 1.347 158 I CB -0.161 37.846 38.000 0.011 0.000 1.044 158 I HN 0.057 nan 8.210 nan 0.000 0.408 159 K N 0.399 120.803 120.400 0.007 0.000 2.097 159 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 159 K C 2.251 178.856 176.600 0.008 0.000 1.050 159 K CA 1.766 58.057 56.287 0.008 0.000 0.938 159 K CB -0.283 32.218 32.500 0.003 0.000 0.718 159 K HN 0.408 nan 8.250 nan 0.000 0.442 160 S N 1.142 116.845 115.700 0.006 0.000 2.419 160 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 160 S C 1.876 176.484 174.600 0.013 0.000 1.016 160 S CA 0.835 59.039 58.200 0.007 0.000 0.974 160 S CB -0.306 62.897 63.200 0.005 0.000 0.786 160 S HN 0.214 nan 8.310 nan 0.000 0.492 161 L N 0.614 121.847 121.223 0.017 0.000 2.477 161 L HA 0.317 4.657 4.340 -0.000 0.000 0.220 161 L C 1.724 178.607 176.870 0.021 0.000 1.106 161 L CA 0.350 55.204 54.840 0.023 0.000 0.851 161 L CB -0.609 41.469 42.059 0.031 0.000 0.994 161 L HN 0.583 nan 8.230 nan 0.000 0.462 162 G N 1.347 110.158 108.800 0.019 0.000 2.225 162 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.264 162 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.264 162 G C -0.135 174.778 174.900 0.022 0.000 1.060 162 G CA -0.190 44.920 45.100 0.018 0.000 0.833 162 G HN 0.207 nan 8.290 nan 0.000 0.498 163 L N 0.835 122.073 121.223 0.025 0.000 2.272 163 L HA 0.416 4.756 4.340 -0.000 0.000 0.289 163 L C 1.256 178.147 176.870 0.035 0.000 1.032 163 L CA -0.450 54.408 54.840 0.030 0.000 0.810 163 L CB 1.253 43.332 42.059 0.034 0.000 1.205 163 L HN 0.333 nan 8.230 nan 0.000 0.422 164 D N 1.518 121.941 120.400 0.038 0.000 2.354 164 D HA -0.006 4.634 4.640 -0.000 0.000 0.209 164 D C 0.144 176.486 176.300 0.070 0.000 1.015 164 D CA 0.280 54.309 54.000 0.047 0.000 0.867 164 D CB 0.559 41.384 40.800 0.041 0.000 0.933 164 D HN 0.321 nan 8.370 nan 0.000 0.520 165 K N 0.366 120.808 120.400 0.071 0.000 2.443 165 K HA 0.499 4.819 4.320 -0.000 0.000 0.252 165 K C -0.978 175.672 176.600 0.084 0.000 0.933 165 K CA -0.703 55.647 56.287 0.106 0.000 0.792 165 K CB 2.746 35.287 32.500 0.068 0.000 1.185 165 K HN -0.071 nan 8.250 nan 0.000 0.425 166 I N 3.252 123.905 120.570 0.138 0.000 2.512 166 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 166 I C -0.345 175.871 176.117 0.166 0.000 1.069 166 I CA -0.940 60.426 61.300 0.109 0.000 1.056 166 I CB 1.750 39.801 38.000 0.085 0.000 1.229 166 I HN 0.288 nan 8.210 nan 0.000 0.429 167 V N 4.690 124.676 119.914 0.120 0.000 2.465 167 V HA 0.685 4.804 4.120 -0.000 0.000 0.279 167 V C 0.692 176.894 176.094 0.180 0.000 1.045 167 V CA -0.600 61.805 62.300 0.174 0.000 0.938 167 V CB 1.229 33.121 31.823 0.114 0.000 0.986 167 V HN 0.850 nan 8.190 nan 0.000 0.467 168 A N 4.590 127.567 122.820 0.263 0.000 2.312 168 A HA 0.832 5.152 4.320 -0.000 0.000 0.328 168 A C -1.052 176.744 177.584 0.354 0.000 1.158 168 A CA -0.386 51.822 52.037 0.285 0.000 0.821 168 A CB 0.908 20.096 19.000 0.313 0.000 1.170 168 A HN 0.788 nan 8.150 nan 0.000 0.490 169 F N 1.513 121.519 119.950 0.094 0.000 2.477 169 F HA 0.547 5.073 4.527 -0.000 0.000 0.335 169 F C -0.092 175.721 175.800 0.022 0.000 1.130 169 F CA -0.670 57.338 58.000 0.014 0.000 0.948 169 F CB 1.989 40.955 39.000 -0.058 0.000 1.154 169 F HN 0.643 nan 8.300 nan 0.000 0.439 170 Q N 4.433 123.936 119.800 -0.496 0.000 2.256 170 Q HA 0.588 4.928 4.340 -0.000 0.000 0.254 170 Q C -1.128 174.258 176.000 -1.023 0.000 0.916 170 Q CA 0.033 55.513 55.803 -0.537 0.000 0.932 170 Q CB 1.665 30.324 28.738 -0.132 0.000 1.207 170 Q HN 0.768 nan 8.270 nan 0.000 0.426 171 T N 2.574 116.677 114.554 -0.752 0.000 2.889 171 T HA 0.573 4.923 4.350 -0.000 0.000 0.315 171 T C -0.892 173.598 174.700 -0.350 0.000 1.291 171 T CA -0.625 61.125 62.100 -0.583 0.000 1.028 171 T CB 0.757 69.298 68.868 -0.544 0.000 1.235 171 T HN 0.805 nan 8.240 nan 0.000 0.491 172 R N 1.725 122.099 120.500 -0.210 0.000 2.572 172 R HA 0.473 4.813 4.340 -0.000 0.000 0.370 172 R C 0.135 176.416 176.300 -0.031 0.000 1.005 172 R CA -0.701 55.336 56.100 -0.105 0.000 1.146 172 R CB 0.255 30.503 30.300 -0.086 0.000 1.390 172 R HN 0.223 nan 8.270 nan 0.000 0.553 173 N N 1.316 119.998 118.700 -0.030 0.000 2.380 173 N HA 0.421 5.160 4.740 -0.000 0.000 0.290 173 N C -2.845 172.634 175.510 -0.052 0.000 1.236 173 N CA -2.038 50.991 53.050 -0.034 0.000 0.780 173 N CB 2.124 40.583 38.487 -0.047 0.000 1.438 173 N HN -0.193 nan 8.380 nan 0.000 0.491 174 P HA 0.108 nan 4.420 nan 0.000 0.266 174 P C -0.413 176.628 177.300 -0.432 0.000 1.195 174 P CA 0.465 63.372 63.100 -0.322 0.000 0.768 174 P CB 0.530 32.028 31.700 -0.337 0.000 0.838 175 M N 3.301 122.703 119.600 -0.331 0.000 2.108 175 M HA 0.199 4.679 4.480 -0.000 0.000 0.354 175 M C 0.622 176.721 176.300 -0.336 0.000 1.229 175 M CA -0.081 55.052 55.300 -0.278 0.000 1.081 175 M CB 0.443 33.039 32.600 -0.006 0.000 1.606 175 M HN 0.421 nan 8.290 nan 0.000 0.467 176 H N 1.575 120.721 119.070 0.126 0.000 2.669 176 H HA 0.375 4.931 4.556 -0.000 0.000 0.318 176 H C 0.627 175.785 175.328 -0.284 0.000 1.429 176 H CA -0.568 55.381 56.048 -0.166 0.000 1.460 176 H CB 0.769 30.254 29.762 -0.463 0.000 1.784 176 H HN 0.612 nan 8.280 nan 0.000 0.750 177 R N -0.026 120.290 120.500 -0.306 0.000 2.120 177 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 177 R C 2.056 177.993 176.300 -0.606 0.000 1.123 177 R CA 1.019 56.914 56.100 -0.342 0.000 0.975 177 R CB -0.180 30.023 30.300 -0.162 0.000 0.866 177 R HN 0.260 nan 8.270 nan 0.000 0.446 178 V N 0.982 120.323 119.914 -0.956 0.000 2.407 178 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 178 V C 1.919 177.522 176.094 -0.817 0.000 1.055 178 V CA 1.824 63.369 62.300 -1.258 0.000 1.049 178 V CB -0.320 30.831 31.823 -1.120 0.000 0.662 178 V HN 0.413 nan 8.190 nan 0.000 0.455 179 H N -0.450 118.369 119.070 -0.419 0.000 2.372 179 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 179 H C 2.240 177.291 175.328 -0.462 0.000 1.065 179 H CA 1.591 57.406 56.048 -0.390 0.000 1.364 179 H CB -0.184 29.459 29.762 -0.198 0.000 1.406 179 H HN 0.618 nan 8.280 nan 0.000 0.521 180 E N 1.336 121.413 120.200 -0.204 0.000 2.097 180 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 180 E C 1.946 178.405 176.600 -0.235 0.000 1.000 180 E CA 1.427 57.725 56.400 -0.170 0.000 0.804 180 E CB 0.170 29.755 29.700 -0.193 0.000 0.740 180 E HN 0.276 nan 8.360 nan 0.000 0.454 181 E N 0.071 120.097 120.200 -0.290 0.000 2.107 181 E HA -0.119 4.230 4.350 -0.000 0.000 0.191 181 E C 1.959 178.401 176.600 -0.263 0.000 0.982 181 E CA 0.675 56.938 56.400 -0.227 0.000 0.809 181 E CB -0.168 29.417 29.700 -0.191 0.000 0.756 181 E HN 0.300 nan 8.360 nan 0.000 0.459 182 L N 0.345 121.312 121.223 -0.425 0.000 2.042 182 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 182 L C 2.221 178.758 176.870 -0.555 0.000 1.076 182 L CA 2.414 56.861 54.840 -0.655 0.000 0.749 182 L CB -0.844 40.785 42.059 -0.717 0.000 0.893 182 L HN 0.329 nan 8.230 nan 0.000 0.432 183 T N -3.715 110.571 114.554 -0.448 0.000 2.851 183 T HA -0.118 4.232 4.350 -0.000 0.000 0.262 183 T C 1.903 176.558 174.700 -0.075 0.000 1.043 183 T CA 1.085 63.004 62.100 -0.302 0.000 1.140 183 T CB -0.417 68.235 68.868 -0.360 0.000 0.872 183 T HN 0.315 nan 8.240 nan 0.000 0.446 184 K N 0.754 121.119 120.400 -0.059 0.000 2.148 184 K HA 0.084 4.404 4.320 -0.000 0.000 0.204 184 K C 2.741 179.349 176.600 0.013 0.000 1.050 184 K CA 0.787 57.067 56.287 -0.011 0.000 0.942 184 K CB -0.071 32.388 32.500 -0.069 0.000 0.724 184 K HN 0.315 nan 8.250 nan 0.000 0.446 185 R N 0.456 120.970 120.500 0.023 0.000 2.062 185 R HA -0.018 4.322 4.340 -0.000 0.000 0.229 185 R C 2.428 178.849 176.300 0.202 0.000 1.128 185 R CA 1.107 57.278 56.100 0.118 0.000 0.960 185 R CB -0.347 30.060 30.300 0.178 0.000 0.855 185 R HN 0.145 nan 8.270 nan 0.000 0.432 186 A N 1.238 124.249 122.820 0.318 0.000 1.927 186 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 186 A C 2.153 179.797 177.584 0.101 0.000 1.185 186 A CA 1.713 53.930 52.037 0.300 0.000 0.639 186 A CB -0.570 18.634 19.000 0.340 0.000 0.820 186 A HN 0.309 nan 8.150 nan 0.000 0.451 187 M N -1.476 118.166 119.600 0.069 0.000 2.159 187 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 187 M C 2.002 178.307 176.300 0.007 0.000 1.063 187 M CA 2.158 57.476 55.300 0.029 0.000 1.110 187 M CB -0.133 32.496 32.600 0.048 0.000 1.374 187 M HN 0.508 nan 8.290 nan 0.000 0.411 188 E N 0.145 120.358 120.200 0.022 0.000 2.107 188 E HA -0.130 4.219 4.350 -0.000 0.000 0.191 188 E C 1.771 178.367 176.600 -0.006 0.000 0.982 188 E CA 1.179 57.585 56.400 0.010 0.000 0.809 188 E CB 0.159 29.871 29.700 0.020 0.000 0.756 188 E HN 0.415 nan 8.360 nan 0.000 0.459 189 K N -0.433 119.963 120.400 -0.007 0.000 2.026 189 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 189 K C 2.019 178.580 176.600 -0.065 0.000 1.048 189 K CA 1.457 57.723 56.287 -0.034 0.000 0.929 189 K CB -0.123 32.346 32.500 -0.051 0.000 0.713 189 K HN 0.009 nan 8.250 nan 0.000 0.439 190 V N -0.019 119.826 119.914 -0.113 0.000 2.453 190 V HA -0.076 4.044 4.120 -0.000 0.000 0.247 190 V C 1.465 177.474 176.094 -0.142 0.000 1.048 190 V CA 1.662 63.822 62.300 -0.234 0.000 1.049 190 V CB -0.622 30.922 31.823 -0.465 0.000 0.672 190 V HN 0.719 nan 8.190 nan 0.000 0.457 191 G N -0.782 107.971 108.800 -0.080 0.000 2.136 191 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.242 191 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.242 191 G C 0.367 175.250 174.900 -0.029 0.000 0.989 191 G CA 0.355 45.432 45.100 -0.039 0.000 0.682 191 G HN 0.980 nan 8.290 nan 0.000 0.522 192 G N -1.052 107.722 108.800 -0.042 0.000 3.211 192 G HA2 0.866 4.825 3.960 -0.000 0.000 0.167 192 G HA3 0.866 4.825 3.960 -0.000 0.000 0.167 192 G C 0.569 175.474 174.900 0.008 0.000 1.212 192 G CA 0.115 45.207 45.100 -0.013 0.000 0.928 192 G HN 1.189 nan 8.290 nan 0.000 0.607 193 G N -1.520 107.294 108.800 0.024 0.000 2.557 193 G HA2 0.551 4.511 3.960 -0.000 0.000 0.302 193 G HA3 0.551 4.511 3.960 -0.000 0.000 0.302 193 G C -1.463 173.466 174.900 0.048 0.000 1.311 193 G CA -0.424 44.701 45.100 0.042 0.000 1.030 193 G HN 0.785 nan 8.290 nan 0.000 0.509 194 L N -0.649 120.608 121.223 0.058 0.000 2.386 194 L HA 0.705 5.045 4.340 -0.000 0.000 0.271 194 L C -1.277 175.598 176.870 0.009 0.000 0.993 194 L CA -0.904 53.965 54.840 0.050 0.000 0.819 194 L CB 2.060 44.160 42.059 0.069 0.000 1.294 194 L HN 0.397 nan 8.230 nan 0.000 0.414 195 L N 5.878 127.103 121.223 0.003 0.000 2.295 195 L HA 0.530 4.870 4.340 -0.000 0.000 0.281 195 L C -1.317 175.524 176.870 -0.048 0.000 1.018 195 L CA -0.128 54.672 54.840 -0.067 0.000 0.841 195 L CB 0.933 42.933 42.059 -0.099 0.000 1.218 195 L HN 0.579 nan 8.230 nan 0.000 0.424 196 L N 5.665 126.811 121.223 -0.129 0.000 2.369 196 L HA 0.250 4.590 4.340 -0.000 0.000 0.279 196 L C 0.134 176.945 176.870 -0.099 0.000 1.108 196 L CA 0.184 54.959 54.840 -0.108 0.000 0.852 196 L CB 0.087 41.983 42.059 -0.273 0.000 1.169 196 L HN 0.663 nan 8.230 nan 0.000 0.452 197 H N 4.652 123.601 119.070 -0.202 0.000 2.386 197 H HA 0.264 4.820 4.556 -0.000 0.000 0.232 197 H C -2.332 172.774 175.328 -0.370 0.000 1.416 197 H CA -1.963 53.916 56.048 -0.282 0.000 1.285 197 H CB 0.864 30.455 29.762 -0.284 0.000 1.625 197 H HN 0.392 nan 8.280 nan 0.000 0.521 198 P HA -0.028 nan 4.420 nan 0.000 0.272 198 P C 0.014 177.032 177.300 -0.470 0.000 1.223 198 P CA -0.146 62.591 63.100 -0.605 0.000 0.784 198 P CB 2.107 33.084 31.700 -1.205 0.000 0.923 199 V N 3.316 122.989 119.914 -0.402 0.000 2.406 199 V HA 0.080 4.200 4.120 -0.000 0.000 0.272 199 V C 1.395 177.344 176.094 -0.242 0.000 1.043 199 V CA 0.051 62.162 62.300 -0.314 0.000 0.915 199 V CB 1.130 32.801 31.823 -0.254 0.000 0.988 199 V HN 0.515 nan 8.190 nan 0.000 0.466 200 V N 1.925 121.695 119.914 -0.240 0.000 3.253 200 V HA 0.510 4.630 4.120 -0.000 0.000 0.320 200 V C 1.059 177.057 176.094 -0.159 0.000 1.442 200 V CA 0.909 63.067 62.300 -0.237 0.000 1.097 200 V CB 0.089 31.709 31.823 -0.339 0.000 1.008 200 V HN 0.716 nan 8.190 nan 0.000 0.463 201 G N 1.239 109.976 108.800 -0.105 0.000 2.618 201 G HA2 0.433 4.393 3.960 -0.000 0.000 0.222 201 G HA3 0.433 4.393 3.960 -0.000 0.000 0.222 201 G C 0.113 175.021 174.900 0.013 0.000 1.520 201 G CA -0.099 44.986 45.100 -0.025 0.000 0.930 201 G HN 0.363 nan 8.290 nan 0.000 0.547 202 L N 0.603 121.851 121.223 0.041 0.000 2.408 202 L HA 0.466 4.806 4.340 -0.000 0.000 0.268 202 L C 0.683 177.590 176.870 0.062 0.000 0.986 202 L CA -0.603 54.276 54.840 0.065 0.000 0.820 202 L CB 2.640 44.766 42.059 0.112 0.000 1.303 202 L HN 0.620 nan 8.230 nan 0.000 0.411 203 T N -1.231 113.352 114.554 0.049 0.000 2.312 203 T HA 0.354 4.704 4.350 -0.000 0.000 0.175 203 T C -0.124 174.611 174.700 0.058 0.000 0.727 203 T CA -0.405 61.721 62.100 0.043 0.000 1.333 203 T CB 0.692 69.566 68.868 0.009 0.000 2.928 203 T HN 0.325 nan 8.240 nan 0.000 0.403 204 K N 2.268 122.694 120.400 0.043 0.000 2.427 204 K HA 0.493 4.812 4.320 -0.000 0.000 0.252 204 K C -2.969 173.659 176.600 0.046 0.000 0.931 204 K CA -2.652 53.659 56.287 0.041 0.000 0.793 204 K CB 2.090 34.605 32.500 0.025 0.000 1.211 204 K HN 0.278 nan 8.250 nan 0.000 0.426 205 P HA 0.040 nan 4.420 nan 0.000 0.268 205 P C 0.454 177.787 177.300 0.054 0.000 1.204 205 P CA 0.742 63.876 63.100 0.055 0.000 0.768 205 P CB 0.643 32.377 31.700 0.057 0.000 0.842 206 G N 1.655 110.492 108.800 0.062 0.000 2.176 206 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.253 206 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.253 206 G C 0.049 174.994 174.900 0.074 0.000 0.979 206 G CA -0.068 45.074 45.100 0.069 0.000 0.641 206 G HN 0.525 nan 8.290 nan 0.000 0.530 207 D N 0.080 120.518 120.400 0.064 0.000 2.368 207 D HA 0.398 5.038 4.640 -0.000 0.000 0.240 207 D C 1.222 177.576 176.300 0.089 0.000 1.169 207 D CA -0.163 53.874 54.000 0.061 0.000 0.906 207 D CB 1.035 41.858 40.800 0.038 0.000 1.187 207 D HN 0.201 nan 8.370 nan 0.000 0.435 208 V N 1.810 121.780 119.914 0.094 0.000 2.617 208 V HA -0.053 4.067 4.120 -0.000 0.000 0.304 208 V C 0.517 176.659 176.094 0.079 0.000 1.040 208 V CA -0.152 62.236 62.300 0.146 0.000 1.149 208 V CB 0.119 32.011 31.823 0.114 0.000 0.914 208 V HN 0.601 nan 8.190 nan 0.000 0.487 209 D N 3.726 124.180 120.400 0.089 0.000 2.449 209 D HA 0.015 4.655 4.640 -0.000 0.000 0.236 209 D C 0.974 177.275 176.300 0.002 0.000 1.149 209 D CA -0.092 53.941 54.000 0.056 0.000 0.878 209 D CB 1.135 41.988 40.800 0.088 0.000 1.198 209 D HN 0.168 nan 8.370 nan 0.000 0.446 210 V N 2.370 122.240 119.914 -0.073 0.000 2.469 210 V HA -0.284 3.836 4.120 -0.000 0.000 0.251 210 V C 1.278 177.229 176.094 -0.239 0.000 1.064 210 V CA 1.584 63.760 62.300 -0.207 0.000 1.066 210 V CB -0.916 30.727 31.823 -0.300 0.000 0.667 210 V HN 0.692 nan 8.190 nan 0.000 0.461 211 Y N 0.653 120.961 120.300 0.014 0.000 2.133 211 Y HA -0.193 4.356 4.550 -0.000 0.000 0.287 211 Y C 2.760 178.680 175.900 0.033 0.000 1.134 211 Y CA 2.118 60.262 58.100 0.074 0.000 1.133 211 Y CB -1.118 37.387 38.460 0.075 0.000 0.987 211 Y HN 0.216 nan 8.280 nan 0.000 0.502 212 T N 0.193 114.829 114.554 0.137 0.000 2.665 212 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 212 T C 1.902 176.523 174.700 -0.132 0.000 1.035 212 T CA 1.728 63.846 62.100 0.029 0.000 1.151 212 T CB -0.286 68.610 68.868 0.045 0.000 0.862 212 T HN 0.292 nan 8.240 nan 0.000 0.438 213 R N 0.335 120.696 120.500 -0.232 0.000 2.073 213 R HA 0.065 4.405 4.340 -0.000 0.000 0.234 213 R C 2.697 178.463 176.300 -0.891 0.000 1.134 213 R CA 1.341 57.090 56.100 -0.586 0.000 0.952 213 R CB -0.373 29.665 30.300 -0.436 0.000 0.850 213 R HN 0.410 nan 8.270 nan 0.000 0.433 214 M N -0.054 119.251 119.600 -0.492 0.000 2.108 214 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 214 M C 2.270 178.328 176.300 -0.403 0.000 1.066 214 M CA 1.768 56.782 55.300 -0.476 0.000 1.107 214 M CB -0.317 32.059 32.600 -0.375 0.000 1.356 214 M HN 0.093 nan 8.290 nan 0.000 0.406 215 R N 0.260 120.618 120.500 -0.237 0.000 2.096 215 R HA -0.083 4.256 4.340 -0.000 0.000 0.235 215 R C 2.060 178.270 176.300 -0.149 0.000 1.127 215 R CA 1.280 57.301 56.100 -0.132 0.000 0.968 215 R CB -0.479 29.862 30.300 0.068 0.000 0.861 215 R HN 0.380 nan 8.270 nan 0.000 0.440 216 I N -0.346 120.072 120.570 -0.253 0.000 2.142 216 I HA -0.316 3.854 4.170 -0.000 0.000 0.240 216 I C 1.809 177.823 176.117 -0.171 0.000 1.078 216 I CA 1.558 62.706 61.300 -0.253 0.000 1.343 216 I CB -0.308 37.453 38.000 -0.398 0.000 1.046 216 I HN 0.188 nan 8.210 nan 0.000 0.405 217 Y N 0.616 120.843 120.300 -0.123 0.000 2.207 217 Y HA -0.301 4.249 4.550 -0.000 0.000 0.287 217 Y C 2.686 178.528 175.900 -0.097 0.000 1.156 217 Y CA 1.179 59.215 58.100 -0.106 0.000 1.182 217 Y CB -0.342 38.049 38.460 -0.115 0.000 0.979 217 Y HN 0.119 nan 8.280 nan 0.000 0.521 218 K N 0.293 120.678 120.400 -0.024 0.000 2.031 218 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 218 K C 2.198 178.836 176.600 0.063 0.000 1.049 218 K CA 1.239 57.461 56.287 -0.109 0.000 0.939 218 K CB -0.434 31.919 32.500 -0.246 0.000 0.717 218 K HN 0.175 nan 8.250 nan 0.000 0.438 219 V N 1.399 121.350 119.914 0.062 0.000 2.427 219 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 219 V C 2.171 178.378 176.094 0.189 0.000 1.051 219 V CA 1.451 63.817 62.300 0.110 0.000 1.048 219 V CB -0.210 31.668 31.823 0.093 0.000 0.666 219 V HN 0.398 nan 8.190 nan 0.000 0.456 220 L N -0.460 120.890 121.223 0.211 0.000 2.056 220 L HA -0.134 4.205 4.340 -0.000 0.000 0.207 220 L C 2.260 179.403 176.870 0.454 0.000 1.078 220 L CA 2.625 57.663 54.840 0.330 0.000 0.749 220 L CB -1.054 41.136 42.059 0.219 0.000 0.901 220 L HN 0.586 nan 8.230 nan 0.000 0.433 221 Y N 0.486 120.898 120.300 0.187 0.000 2.163 221 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 221 Y C 2.385 178.391 175.900 0.176 0.000 1.136 221 Y CA 2.129 60.309 58.100 0.133 0.000 1.147 221 Y CB -0.274 38.115 38.460 -0.119 0.000 0.987 221 Y HN 0.349 nan 8.280 nan 0.000 0.509 222 E N 0.010 120.196 120.200 -0.024 0.000 2.110 222 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 222 E C 1.772 178.298 176.600 -0.124 0.000 0.988 222 E CA 1.618 57.944 56.400 -0.125 0.000 0.804 222 E CB -0.040 29.682 29.700 0.036 0.000 0.745 222 E HN 0.507 nan 8.360 nan 0.000 0.458 223 K N -1.110 119.248 120.400 -0.069 0.000 2.354 223 K HA 0.078 4.397 4.320 -0.000 0.000 0.194 223 K C 0.562 176.868 176.600 -0.490 0.000 1.038 223 K CA 0.282 56.405 56.287 -0.274 0.000 1.052 223 K CB 0.636 32.928 32.500 -0.347 0.000 0.861 223 K HN 0.151 nan 8.250 nan 0.000 0.535 224 Y N -1.540 118.746 120.300 -0.023 0.000 2.448 224 Y HA 0.213 4.763 4.550 -0.000 0.000 0.257 224 Y C -0.157 175.608 175.900 -0.225 0.000 1.089 224 Y CA -0.674 57.360 58.100 -0.110 0.000 1.245 224 Y CB 0.759 39.140 38.460 -0.131 0.000 1.282 224 Y HN -0.147 nan 8.280 nan 0.000 0.529 225 Y N 1.231 121.532 120.300 0.001 0.000 2.341 225 Y HA 0.226 4.776 4.550 -0.000 0.000 0.337 225 Y C 0.108 175.955 175.900 -0.088 0.000 1.014 225 Y CA -1.705 56.383 58.100 -0.021 0.000 1.111 225 Y CB 0.785 39.268 38.460 0.039 0.000 1.194 225 Y HN -0.103 nan 8.280 nan 0.000 0.462 226 D N 3.798 124.256 120.400 0.095 0.000 2.389 226 D HA -0.040 4.599 4.640 -0.000 0.000 0.263 226 D C 0.607 176.950 176.300 0.072 0.000 1.255 226 D CA 0.228 54.256 54.000 0.047 0.000 0.914 226 D CB 0.891 41.715 40.800 0.041 0.000 1.116 226 D HN 0.490 nan 8.370 nan 0.000 0.502 227 K N 3.288 123.696 120.400 0.013 0.000 2.280 227 K HA -0.136 4.183 4.320 -0.000 0.000 0.202 227 K C 1.433 178.077 176.600 0.074 0.000 1.047 227 K CA 0.800 57.108 56.287 0.035 0.000 0.942 227 K CB 0.052 32.544 32.500 -0.012 0.000 0.739 227 K HN 0.486 nan 8.250 nan 0.000 0.457 228 K N 0.988 121.420 120.400 0.052 0.000 2.486 228 K HA -0.056 4.264 4.320 -0.000 0.000 0.194 228 K C 1.467 178.102 176.600 0.058 0.000 1.033 228 K CA 0.793 57.109 56.287 0.047 0.000 1.004 228 K CB 0.181 32.699 32.500 0.030 0.000 0.798 228 K HN 0.215 nan 8.250 nan 0.000 0.495 229 K N -1.118 119.329 120.400 0.080 0.000 2.554 229 K HA 0.133 4.452 4.320 -0.000 0.000 0.211 229 K C -0.490 176.176 176.600 0.110 0.000 1.226 229 K CA -0.202 56.134 56.287 0.082 0.000 1.025 229 K CB 1.055 33.595 32.500 0.068 0.000 1.021 229 K HN -0.232 nan 8.250 nan 0.000 0.600 230 T N 2.243 116.892 114.554 0.158 0.000 2.824 230 T HA 0.548 4.898 4.350 -0.000 0.000 0.282 230 T C -0.495 174.329 174.700 0.206 0.000 0.993 230 T CA -0.522 61.693 62.100 0.191 0.000 0.967 230 T CB 1.764 70.812 68.868 0.300 0.000 0.960 230 T HN 0.101 nan 8.240 nan 0.000 0.441 231 I N 3.107 123.694 120.570 0.029 0.000 2.433 231 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 231 I C -1.000 174.906 176.117 -0.353 0.000 1.001 231 I CA -1.111 60.126 61.300 -0.104 0.000 1.119 231 I CB 1.911 39.858 38.000 -0.090 0.000 1.289 231 I HN 0.326 nan 8.210 nan 0.000 0.438 232 L N 6.767 127.601 121.223 -0.647 0.000 2.287 232 L HA 0.836 5.175 4.340 -0.000 0.000 0.287 232 L C -0.493 176.154 176.870 -0.371 0.000 1.022 232 L CA -0.084 54.331 54.840 -0.709 0.000 0.814 232 L CB 1.174 42.425 42.059 -1.348 0.000 1.217 232 L HN 0.707 nan 8.230 nan 0.000 0.420 233 A N 5.269 127.932 122.820 -0.261 0.000 2.398 233 A HA 0.639 4.959 4.320 -0.000 0.000 0.301 233 A C -1.246 176.412 177.584 0.123 0.000 1.041 233 A CA -0.459 51.507 52.037 -0.118 0.000 0.711 233 A CB 0.658 19.557 19.000 -0.168 0.000 1.240 233 A HN 0.594 nan 8.150 nan 0.000 0.420 234 F N 1.997 121.926 119.950 -0.035 0.000 2.411 234 F HA 0.403 4.930 4.527 -0.000 0.000 0.350 234 F C 0.181 175.871 175.800 -0.183 0.000 1.114 234 F CA -0.826 57.096 58.000 -0.130 0.000 1.135 234 F CB 1.443 40.384 39.000 -0.099 0.000 1.120 234 F HN 0.449 nan 8.300 nan 0.000 0.495 235 L N 7.992 129.097 121.223 -0.197 0.000 2.265 235 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 235 L C -2.122 174.595 176.870 -0.256 0.000 1.033 235 L CA -2.393 52.207 54.840 -0.399 0.000 0.814 235 L CB 0.794 42.316 42.059 -0.896 0.000 1.203 235 L HN 0.203 nan 8.230 nan 0.000 0.423 236 P HA 0.057 nan 4.420 nan 0.000 0.228 236 P C -0.442 176.823 177.300 -0.058 0.000 1.748 236 P CA -0.313 62.725 63.100 -0.103 0.000 0.909 236 P CB 0.051 31.723 31.700 -0.046 0.000 1.882 237 L N 1.116 122.275 121.223 -0.106 0.000 2.349 237 L HA 0.471 4.810 4.340 -0.000 0.000 0.275 237 L C 0.218 177.131 176.870 0.072 0.000 1.115 237 L CA -0.458 54.364 54.840 -0.029 0.000 0.820 237 L CB 0.714 42.683 42.059 -0.150 0.000 1.135 237 L HN 0.097 nan 8.230 nan 0.000 0.445 238 A N 7.109 130.050 122.820 0.201 0.000 2.506 238 A HA 0.445 4.765 4.320 -0.000 0.000 0.320 238 A C 0.194 177.978 177.584 0.334 0.000 1.424 238 A CA -0.557 51.620 52.037 0.233 0.000 1.044 238 A CB -0.541 18.606 19.000 0.244 0.000 1.140 238 A HN 0.816 nan 8.150 nan 0.000 0.538 239 M N 1.079 120.838 119.600 0.264 0.000 2.250 239 M HA 0.145 4.625 4.480 -0.000 0.000 0.325 239 M C 1.143 177.627 176.300 0.305 0.000 1.084 239 M CA 0.231 55.733 55.300 0.338 0.000 1.161 239 M CB 0.520 33.252 32.600 0.220 0.000 1.481 239 M HN 0.645 nan 8.290 nan 0.000 0.449 240 R N 1.096 121.779 120.500 0.305 0.000 2.334 240 R HA 0.259 4.599 4.340 -0.000 0.000 0.212 240 R C -0.183 176.232 176.300 0.191 0.000 0.897 240 R CA 0.209 56.421 56.100 0.186 0.000 1.056 240 R CB 0.253 30.572 30.300 0.032 0.000 1.046 240 R HN 0.676 nan 8.270 nan 0.000 0.513 241 M N -0.365 119.339 119.600 0.173 0.000 2.206 241 M HA -0.219 4.260 4.480 -0.000 0.000 0.197 241 M C 0.102 176.524 176.300 0.204 0.000 0.375 241 M CA 0.957 56.334 55.300 0.129 0.000 0.410 241 M CB -2.517 30.089 32.600 0.010 0.000 1.204 241 M HN 0.198 nan 8.290 nan 0.000 0.932 242 A N -1.214 121.666 122.820 0.099 0.000 2.460 242 A HA 0.549 4.869 4.320 -0.000 0.000 0.258 242 A C 1.647 179.021 177.584 -0.351 0.000 1.300 242 A CA 1.048 53.088 52.037 0.004 0.000 0.913 242 A CB -0.230 18.726 19.000 -0.074 0.000 1.031 242 A HN 1.393 nan 8.150 nan 0.000 0.512 243 G N 0.766 109.331 108.800 -0.392 0.000 2.660 243 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.321 243 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.321 243 G C -0.728 173.977 174.900 -0.325 0.000 1.246 243 G CA 0.659 45.394 45.100 -0.610 0.000 1.000 243 G HN 0.314 nan 8.290 nan 0.000 0.550 244 P HA -0.109 nan 4.420 nan 0.000 0.215 244 P C 2.100 179.347 177.300 -0.088 0.000 1.163 244 P CA 2.163 65.196 63.100 -0.112 0.000 0.894 244 P CB -0.199 31.452 31.700 -0.082 0.000 0.791 245 R N -0.456 119.948 120.500 -0.160 0.000 2.105 245 R HA -0.189 4.151 4.340 -0.000 0.000 0.239 245 R C 2.346 178.567 176.300 -0.132 0.000 1.135 245 R CA 1.588 57.590 56.100 -0.165 0.000 0.967 245 R CB -0.618 29.564 30.300 -0.198 0.000 0.861 245 R HN 0.324 nan 8.270 nan 0.000 0.442 246 E N 0.426 120.555 120.200 -0.119 0.000 2.106 246 E HA -0.134 4.215 4.350 -0.000 0.000 0.192 246 E C 1.882 178.381 176.600 -0.168 0.000 0.984 246 E CA 0.992 57.346 56.400 -0.078 0.000 0.806 246 E CB 0.004 29.654 29.700 -0.084 0.000 0.750 246 E HN 0.336 nan 8.360 nan 0.000 0.458 247 A N 1.101 123.931 122.820 0.017 0.000 1.892 247 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 247 A C 2.199 179.996 177.584 0.355 0.000 1.188 247 A CA 1.487 53.647 52.037 0.205 0.000 0.631 247 A CB -0.849 18.248 19.000 0.162 0.000 0.822 247 A HN 0.348 nan 8.150 nan 0.000 0.447 248 L N -2.626 118.700 121.223 0.171 0.000 2.012 248 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 248 L C 2.571 179.414 176.870 -0.044 0.000 1.073 248 L CA 1.810 56.612 54.840 -0.063 0.000 0.748 248 L CB -0.570 41.340 42.059 -0.247 0.000 0.891 248 L HN 0.744 nan 8.230 nan 0.000 0.431 249 W N 0.974 122.115 121.300 -0.266 0.000 2.318 249 W HA -0.230 4.430 4.660 -0.000 0.000 0.313 249 W C 2.655 179.100 176.519 -0.122 0.000 1.221 249 W CA 1.876 59.035 57.345 -0.310 0.000 1.266 249 W CB -0.780 28.491 29.460 -0.315 0.000 1.150 249 W HN 0.227 nan 8.180 nan 0.000 0.496 250 H N -1.940 117.068 119.070 -0.103 0.000 2.387 250 H HA -0.118 4.437 4.556 -0.000 0.000 0.299 250 H C 2.365 177.305 175.328 -0.646 0.000 1.099 250 H CA 0.966 56.780 56.048 -0.389 0.000 1.315 250 H CB -0.663 28.991 29.762 -0.179 0.000 1.380 250 H HN 0.290 nan 8.280 nan 0.000 0.513 251 G N 0.863 109.502 108.800 -0.268 0.000 2.421 251 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 251 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 251 G C 1.678 176.513 174.900 -0.109 0.000 1.171 251 G CA 0.888 45.916 45.100 -0.121 0.000 0.775 251 G HN 0.263 nan 8.290 nan 0.000 0.543 252 I N 0.605 121.102 120.570 -0.121 0.000 2.127 252 I HA -0.193 3.977 4.170 -0.000 0.000 0.241 252 I C 2.723 178.819 176.117 -0.035 0.000 1.075 252 I CA 1.008 62.254 61.300 -0.089 0.000 1.334 252 I CB -0.249 37.660 38.000 -0.151 0.000 1.040 252 I HN 0.156 nan 8.210 nan 0.000 0.405 253 I N 0.162 120.682 120.570 -0.084 0.000 2.127 253 I HA -0.315 3.855 4.170 -0.000 0.000 0.241 253 I C 2.668 178.869 176.117 0.140 0.000 1.075 253 I CA 1.453 62.764 61.300 0.019 0.000 1.334 253 I CB -0.357 37.554 38.000 -0.147 0.000 1.040 253 I HN 0.124 nan 8.210 nan 0.000 0.405 254 R N 0.303 120.787 120.500 -0.027 0.000 2.115 254 R HA -0.098 4.242 4.340 -0.000 0.000 0.230 254 R C 2.273 178.639 176.300 0.111 0.000 1.111 254 R CA 0.916 57.044 56.100 0.047 0.000 0.976 254 R CB -0.551 29.685 30.300 -0.107 0.000 0.870 254 R HN 0.278 nan 8.270 nan 0.000 0.445 255 R N 0.595 121.130 120.500 0.059 0.000 2.081 255 R HA -0.086 4.253 4.340 -0.000 0.000 0.235 255 R C 0.926 177.264 176.300 0.064 0.000 1.131 255 R CA 1.614 57.752 56.100 0.063 0.000 0.960 255 R CB -0.162 30.161 30.300 0.038 0.000 0.856 255 R HN 0.214 nan 8.270 nan 0.000 0.436 256 N N -0.109 118.633 118.700 0.070 0.000 2.453 256 N HA -0.148 4.592 4.740 -0.000 0.000 0.183 256 N C 0.774 176.224 175.510 -0.100 0.000 1.041 256 N CA 0.961 54.006 53.050 -0.008 0.000 0.900 256 N CB -0.144 38.328 38.487 -0.025 0.000 0.961 256 N HN 0.351 nan 8.380 nan 0.000 0.443 257 Y N -0.416 119.868 120.300 -0.026 0.000 2.490 257 Y HA 0.248 4.798 4.550 -0.000 0.000 0.281 257 Y C 1.762 177.626 175.900 -0.059 0.000 1.174 257 Y CA 0.352 58.420 58.100 -0.054 0.000 1.295 257 Y CB 0.236 38.643 38.460 -0.089 0.000 1.062 257 Y HN 0.127 nan 8.280 nan 0.000 0.522 258 G N -0.530 108.317 108.800 0.078 0.000 2.179 258 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.220 258 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.220 258 G C 0.311 175.252 174.900 0.069 0.000 0.990 258 G CA -0.288 44.842 45.100 0.050 0.000 0.646 258 G HN 0.538 nan 8.290 nan 0.000 0.517 259 A N 0.623 123.497 122.820 0.091 0.000 2.477 259 A HA 0.634 4.954 4.320 -0.000 0.000 0.246 259 A C 1.560 179.218 177.584 0.123 0.000 1.078 259 A CA 1.558 53.665 52.037 0.118 0.000 0.770 259 A CB 0.327 19.410 19.000 0.138 0.000 1.011 259 A HN 1.441 nan 8.150 nan 0.000 0.494 260 T N -0.547 114.108 114.554 0.169 0.000 3.037 260 T HA 0.283 4.632 4.350 -0.000 0.000 0.251 260 T C 0.337 175.016 174.700 -0.034 0.000 1.079 260 T CA 0.751 62.922 62.100 0.118 0.000 1.067 260 T CB -0.228 68.772 68.868 0.219 0.000 0.948 260 T HN 0.726 nan 8.240 nan 0.000 0.496 261 H N -0.484 118.675 119.070 0.148 0.000 2.930 261 H HA 0.651 5.207 4.556 -0.000 0.000 0.371 261 H C -2.046 173.437 175.328 0.259 0.000 1.169 261 H CA -1.184 54.967 56.048 0.171 0.000 1.157 261 H CB 1.714 31.547 29.762 0.117 0.000 1.789 261 H HN 0.161 nan 8.280 nan 0.000 0.547 262 F N 2.264 122.287 119.950 0.123 0.000 2.562 262 F HA 0.477 5.004 4.527 -0.000 0.000 0.319 262 F C -1.178 174.602 175.800 -0.033 0.000 1.154 262 F CA -0.984 57.033 58.000 0.029 0.000 0.931 262 F CB 0.818 39.801 39.000 -0.029 0.000 1.198 262 F HN 0.480 nan 8.300 nan 0.000 0.444 263 I N 6.264 126.546 120.570 -0.481 0.000 2.598 263 I HA 0.217 4.387 4.170 -0.000 0.000 0.284 263 I C -0.612 175.046 176.117 -0.765 0.000 1.140 263 I CA 0.023 61.117 61.300 -0.342 0.000 1.420 263 I CB 0.616 38.652 38.000 0.059 0.000 1.387 263 I HN 0.296 nan 8.210 nan 0.000 0.553 264 V N 6.879 126.551 119.914 -0.403 0.000 2.357 264 V HA 0.452 4.572 4.120 -0.000 0.000 0.281 264 V C 0.633 176.753 176.094 0.044 0.000 1.015 264 V CA -0.549 61.542 62.300 -0.350 0.000 0.827 264 V CB 0.921 32.441 31.823 -0.504 0.000 1.018 264 V HN 0.913 nan 8.190 nan 0.000 0.432 265 G N 3.293 112.205 108.800 0.187 0.000 2.509 265 G HA2 0.369 4.329 3.960 -0.000 0.000 0.269 265 G HA3 0.369 4.329 3.960 -0.000 0.000 0.269 265 G C -0.030 175.015 174.900 0.242 0.000 1.416 265 G CA -0.700 44.555 45.100 0.259 0.000 1.052 265 G HN 0.641 nan 8.290 nan 0.000 0.542 266 R N -0.020 120.604 120.500 0.205 0.000 2.590 266 R HA 0.042 4.382 4.340 -0.000 0.000 0.274 266 R C -0.421 175.880 176.300 0.002 0.000 1.061 266 R CA 0.377 56.467 56.100 -0.017 0.000 1.081 266 R CB -0.012 30.263 30.300 -0.041 0.000 0.984 266 R HN 0.583 nan 8.270 nan 0.000 0.448 267 D N 1.665 122.024 120.400 -0.068 0.000 2.737 267 D HA -0.234 4.406 4.640 -0.000 0.000 0.233 267 D C -0.405 175.957 176.300 0.104 0.000 1.155 267 D CA 1.176 55.198 54.000 0.036 0.000 0.667 267 D CB -1.362 39.458 40.800 0.034 0.000 1.060 267 D HN 0.666 nan 8.370 nan 0.000 0.427 268 H N -0.196 118.896 119.070 0.037 0.000 3.107 268 H HA 0.272 4.828 4.556 -0.000 0.000 0.301 268 H C 1.246 176.610 175.328 0.059 0.000 0.981 268 H CA 1.151 57.233 56.048 0.055 0.000 1.443 268 H CB 0.306 30.103 29.762 0.059 0.000 1.479 268 H HN 0.298 nan 8.280 nan 0.000 0.564 269 A N 3.399 126.101 122.820 -0.196 0.000 2.860 269 A HA -0.240 4.079 4.320 -0.000 0.000 0.267 269 A C 0.819 178.430 177.584 0.046 0.000 1.421 269 A CA 0.985 52.987 52.037 -0.058 0.000 0.831 269 A CB -2.007 17.000 19.000 0.012 0.000 1.041 269 A HN 0.710 nan 8.150 nan 0.000 0.623 270 S N -0.302 115.458 115.700 0.100 0.000 2.554 270 S HA 0.618 5.088 4.470 -0.000 0.000 0.278 270 S C -0.822 173.865 174.600 0.145 0.000 1.242 270 S CA -0.758 57.583 58.200 0.234 0.000 1.051 270 S CB 0.916 64.298 63.200 0.304 0.000 0.986 270 S HN 0.323 nan 8.310 nan 0.000 0.502 271 P HA 0.303 nan 4.420 nan 0.000 0.255 271 P C 0.799 178.189 177.300 0.150 0.000 1.248 271 P CA 0.539 63.655 63.100 0.027 0.000 0.807 271 P CB -0.093 31.442 31.700 -0.275 0.000 1.150 272 G N 0.067 109.005 108.800 0.230 0.000 2.785 272 G HA2 -0.135 3.824 3.960 -0.000 0.000 0.218 272 G HA3 -0.135 3.824 3.960 -0.000 0.000 0.218 272 G C -1.042 173.908 174.900 0.084 0.000 1.251 272 G CA -0.592 44.600 45.100 0.153 0.000 1.129 272 G HN 0.266 nan 8.290 nan 0.000 0.573 273 K N 1.366 121.720 120.400 -0.076 0.000 2.340 273 K HA 0.542 4.862 4.320 -0.000 0.000 0.244 273 K C -0.394 175.798 176.600 -0.680 0.000 0.973 273 K CA -0.392 55.660 56.287 -0.392 0.000 0.828 273 K CB 1.996 34.371 32.500 -0.208 0.000 1.226 273 K HN 0.742 nan 8.250 nan 0.000 0.437 274 D N -0.262 119.546 120.400 -0.987 0.000 2.425 274 D HA 0.058 4.698 4.640 -0.000 0.000 0.274 274 D C 0.547 176.703 176.300 -0.240 0.000 1.242 274 D CA -0.289 53.288 54.000 -0.706 0.000 1.060 274 D CB 0.143 40.538 40.800 -0.674 0.000 1.112 274 D HN 0.249 nan 8.370 nan 0.000 0.561 275 S N -1.174 114.462 115.700 -0.106 0.000 2.402 275 S HA -0.104 4.365 4.470 -0.000 0.000 0.229 275 S C 1.395 175.957 174.600 -0.062 0.000 1.021 275 S CA 0.908 59.080 58.200 -0.047 0.000 0.974 275 S CB -0.270 62.927 63.200 -0.005 0.000 0.800 275 S HN 0.446 nan 8.310 nan 0.000 0.484 276 K N 0.855 121.203 120.400 -0.085 0.000 2.476 276 K HA 0.235 4.554 4.320 -0.000 0.000 0.196 276 K C 0.980 177.527 176.600 -0.088 0.000 1.025 276 K CA 0.342 56.586 56.287 -0.072 0.000 1.138 276 K CB -0.019 32.442 32.500 -0.065 0.000 0.860 276 K HN 0.349 nan 8.250 nan 0.000 0.515 277 G N 2.561 111.292 108.800 -0.114 0.000 2.221 277 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 277 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 277 G C -0.274 174.546 174.900 -0.134 0.000 1.041 277 G CA 0.298 45.331 45.100 -0.113 0.000 0.807 277 G HN 0.344 nan 8.290 nan 0.000 0.502 278 K N 0.690 120.971 120.400 -0.199 0.000 2.221 278 K HA 0.546 4.865 4.320 -0.000 0.000 0.258 278 K C -2.299 174.121 176.600 -0.300 0.000 0.944 278 K CA -2.472 53.699 56.287 -0.195 0.000 0.823 278 K CB 2.157 34.561 32.500 -0.160 0.000 1.113 278 K HN -0.030 nan 8.250 nan 0.000 0.431 279 P HA -0.084 nan 4.420 nan 0.000 0.262 279 P C 0.102 177.254 177.300 -0.246 0.000 1.182 279 P CA 0.436 63.429 63.100 -0.179 0.000 0.761 279 P CB 0.234 31.903 31.700 -0.051 0.000 0.795 280 F N 1.604 121.416 119.950 -0.230 0.000 2.171 280 F HA -0.117 4.410 4.527 -0.000 0.000 0.300 280 F C 0.983 176.315 175.800 -0.780 0.000 1.090 280 F CA 1.450 59.123 58.000 -0.544 0.000 1.293 280 F CB -0.267 38.296 39.000 -0.727 0.000 1.013 280 F HN 0.302 nan 8.300 nan 0.000 0.486 281 Y N -1.310 119.118 120.300 0.214 0.000 2.576 281 Y HA 0.359 4.909 4.550 -0.000 0.000 0.346 281 Y C -0.546 175.401 175.900 0.078 0.000 1.018 281 Y CA -2.016 56.166 58.100 0.136 0.000 1.050 281 Y CB 0.618 39.160 38.460 0.135 0.000 1.280 281 Y HN -0.306 nan 8.280 nan 0.000 0.474 282 D N 3.458 123.991 120.400 0.223 0.000 2.341 282 D HA 0.118 4.758 4.640 -0.000 0.000 0.245 282 D C -1.607 174.738 176.300 0.075 0.000 1.106 282 D CA -1.274 52.802 54.000 0.126 0.000 0.905 282 D CB 0.711 41.587 40.800 0.127 0.000 1.202 282 D HN 0.274 nan 8.370 nan 0.000 0.426 283 P HA -0.170 nan 4.420 nan 0.000 0.221 283 P C 0.051 177.028 177.300 -0.539 0.000 1.145 283 P CA 1.419 64.318 63.100 -0.335 0.000 0.795 283 P CB 0.092 31.473 31.700 -0.533 0.000 0.775 284 Y N -1.742 118.628 120.300 0.116 0.000 2.626 284 Y HA 0.244 4.794 4.550 -0.000 0.000 0.248 284 Y C 2.316 178.276 175.900 0.100 0.000 1.147 284 Y CA -0.435 57.725 58.100 0.101 0.000 1.219 284 Y CB 0.084 38.593 38.460 0.082 0.000 1.279 284 Y HN -0.097 nan 8.280 nan 0.000 0.541 285 E N 1.489 121.805 120.200 0.194 0.000 2.118 285 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 285 E C 2.249 178.937 176.600 0.147 0.000 0.992 285 E CA 1.326 57.825 56.400 0.164 0.000 0.804 285 E CB 0.089 29.884 29.700 0.159 0.000 0.741 285 E HN 0.505 nan 8.360 nan 0.000 0.458 286 A N 0.591 123.491 122.820 0.133 0.000 1.933 286 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 286 A C 2.021 179.705 177.584 0.167 0.000 1.175 286 A CA 1.477 53.589 52.037 0.125 0.000 0.628 286 A CB -0.397 18.669 19.000 0.111 0.000 0.814 286 A HN 0.318 nan 8.150 nan 0.000 0.444 287 Q N -0.651 119.252 119.800 0.172 0.000 2.123 287 Q HA -0.154 4.186 4.340 -0.000 0.000 0.199 287 Q C 1.933 178.043 176.000 0.183 0.000 0.966 287 Q CA 1.483 57.383 55.803 0.161 0.000 0.845 287 Q CB -0.109 28.732 28.738 0.173 0.000 0.907 287 Q HN 0.774 nan 8.270 nan 0.000 0.439 288 E N 0.403 120.706 120.200 0.173 0.000 2.072 288 E HA -0.172 4.178 4.350 -0.000 0.000 0.190 288 E C 1.932 178.627 176.600 0.159 0.000 0.982 288 E CA 0.607 57.093 56.400 0.144 0.000 0.803 288 E CB -0.010 29.765 29.700 0.125 0.000 0.755 288 E HN 0.141 nan 8.360 nan 0.000 0.453 289 L N 0.363 121.697 121.223 0.185 0.000 2.017 289 L HA -0.149 4.190 4.340 -0.000 0.000 0.208 289 L C 2.111 179.153 176.870 0.286 0.000 1.073 289 L CA 1.527 56.500 54.840 0.221 0.000 0.745 289 L CB -0.431 41.732 42.059 0.173 0.000 0.894 289 L HN 0.068 nan 8.230 nan 0.000 0.432 290 F N 0.235 120.266 119.950 0.134 0.000 2.126 290 F HA -0.296 4.231 4.527 -0.000 0.000 0.299 290 F C 2.571 178.443 175.800 0.121 0.000 1.096 290 F CA 2.029 60.108 58.000 0.133 0.000 1.255 290 F CB -0.060 38.998 39.000 0.096 0.000 0.997 290 F HN 0.035 nan 8.300 nan 0.000 0.479 291 K N 0.410 121.008 120.400 0.331 0.000 2.209 291 K HA -0.231 4.089 4.320 -0.000 0.000 0.204 291 K C 2.057 178.695 176.600 0.062 0.000 1.048 291 K CA 1.402 57.804 56.287 0.192 0.000 0.940 291 K CB -0.133 32.444 32.500 0.129 0.000 0.729 291 K HN 0.156 nan 8.250 nan 0.000 0.451 292 K N -1.069 119.336 120.400 0.009 0.000 2.366 292 K HA -0.076 4.244 4.320 -0.000 0.000 0.198 292 K C 0.521 176.864 176.600 -0.427 0.000 1.044 292 K CA 0.968 57.126 56.287 -0.215 0.000 0.973 292 K CB 0.234 32.561 32.500 -0.287 0.000 0.767 292 K HN 0.204 nan 8.250 nan 0.000 0.475 293 Y N -0.057 120.187 120.300 -0.094 0.000 2.527 293 Y HA 0.098 4.647 4.550 -0.000 0.000 0.247 293 Y C 1.434 177.210 175.900 -0.208 0.000 1.138 293 Y CA -0.276 57.730 58.100 -0.157 0.000 1.228 293 Y CB 0.599 38.932 38.460 -0.211 0.000 1.252 293 Y HN 0.167 nan 8.280 nan 0.000 0.531 294 E N 0.184 120.347 120.200 -0.062 0.000 2.110 294 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 294 E C 0.748 177.347 176.600 -0.001 0.000 0.988 294 E CA 1.793 58.164 56.400 -0.047 0.000 0.804 294 E CB -0.165 29.656 29.700 0.202 0.000 0.745 294 E HN 0.304 nan 8.360 nan 0.000 0.458 295 D N 1.177 121.577 120.400 0.000 0.000 2.117 295 D HA -0.186 4.454 4.640 -0.000 0.000 0.198 295 D C 1.926 178.223 176.300 -0.004 0.000 0.982 295 D CA 1.452 55.452 54.000 -0.001 0.000 0.828 295 D CB -0.216 40.579 40.800 -0.008 0.000 0.967 295 D HN 0.460 nan 8.370 nan 0.000 0.464 296 E N 0.600 120.798 120.200 -0.003 0.000 2.110 296 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 296 E C 2.192 178.792 176.600 0.000 0.000 0.988 296 E CA 0.683 57.090 56.400 0.013 0.000 0.804 296 E CB -0.062 29.669 29.700 0.053 0.000 0.745 296 E HN 0.234 nan 8.360 nan 0.000 0.458 297 I N -0.154 120.398 120.570 -0.030 0.000 2.353 297 I HA -0.015 4.154 4.170 -0.000 0.000 0.248 297 I C 1.535 177.640 176.117 -0.020 0.000 1.119 297 I CA 0.865 62.130 61.300 -0.057 0.000 1.417 297 I CB -0.135 37.770 38.000 -0.157 0.000 1.078 297 I HN 0.437 nan 8.210 nan 0.000 0.421 298 G N 2.198 110.994 108.800 -0.006 0.000 2.165 298 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.226 298 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.226 298 G C -0.155 174.756 174.900 0.017 0.000 1.035 298 G CA 0.061 45.165 45.100 0.006 0.000 0.744 298 G HN 0.382 nan 8.290 nan 0.000 0.501 299 I N -0.728 119.871 120.570 0.049 0.000 2.607 299 I HA 0.647 4.817 4.170 -0.000 0.000 0.290 299 I C -0.574 175.639 176.117 0.161 0.000 1.129 299 I CA -1.431 59.924 61.300 0.091 0.000 1.042 299 I CB 1.485 39.586 38.000 0.168 0.000 1.242 299 I HN -0.001 nan 8.210 nan 0.000 0.421 300 K N 7.916 128.301 120.400 -0.025 0.000 2.258 300 K HA 0.352 4.672 4.320 -0.000 0.000 0.284 300 K C -0.458 176.217 176.600 0.124 0.000 1.051 300 K CA -0.270 56.012 56.287 -0.009 0.000 0.923 300 K CB 0.953 33.279 32.500 -0.289 0.000 1.046 300 K HN 0.694 nan 8.250 nan 0.000 0.474 301 M N 4.859 124.562 119.600 0.173 0.000 2.228 301 M HA 0.161 4.641 4.480 -0.000 0.000 0.351 301 M C -1.063 175.235 176.300 -0.003 0.000 1.233 301 M CA -0.288 54.978 55.300 -0.056 0.000 1.129 301 M CB 0.610 33.115 32.600 -0.159 0.000 1.604 301 M HN 0.326 nan 8.290 nan 0.000 0.457 302 V N 8.142 128.030 119.914 -0.044 0.000 2.257 302 V HA 0.384 4.503 4.120 -0.000 0.000 0.269 302 V C -2.159 173.863 176.094 -0.120 0.000 1.040 302 V CA -1.375 60.895 62.300 -0.050 0.000 0.813 302 V CB 0.436 32.281 31.823 0.037 0.000 1.065 302 V HN 0.730 nan 8.190 nan 0.000 0.457 303 P HA 0.425 nan 4.420 nan 0.000 0.284 303 P C -1.043 176.114 177.300 -0.239 0.000 1.253 303 P CA -0.245 62.788 63.100 -0.111 0.000 0.800 303 P CB 0.985 32.638 31.700 -0.078 0.000 0.961 304 F N 0.835 120.800 119.950 0.024 0.000 2.508 304 F HA 0.310 4.836 4.527 -0.000 0.000 0.325 304 F C 0.938 176.800 175.800 0.102 0.000 1.090 304 F CA -0.683 57.346 58.000 0.047 0.000 0.945 304 F CB 1.540 40.572 39.000 0.053 0.000 1.156 304 F HN 0.191 nan 8.300 nan 0.000 0.463 305 E N 0.414 120.750 120.200 0.226 0.000 2.371 305 E HA 0.106 4.455 4.350 -0.000 0.000 0.257 305 E C -0.442 176.344 176.600 0.311 0.000 1.134 305 E CA -0.583 55.929 56.400 0.188 0.000 0.919 305 E CB 0.333 30.061 29.700 0.047 0.000 1.025 305 E HN 0.458 nan 8.360 nan 0.000 0.438 306 E N 1.383 121.795 120.200 0.353 0.000 2.415 306 E HA -0.023 4.327 4.350 -0.000 0.000 0.260 306 E C -0.710 176.006 176.600 0.193 0.000 1.016 306 E CA -0.086 56.470 56.400 0.260 0.000 0.924 306 E CB 0.285 30.131 29.700 0.243 0.000 0.961 306 E HN 0.340 nan 8.360 nan 0.000 0.459 307 L N 6.044 127.361 121.223 0.156 0.000 2.278 307 L HA 0.231 4.571 4.340 -0.000 0.000 0.287 307 L C -0.027 176.969 176.870 0.210 0.000 1.072 307 L CA -0.763 54.172 54.840 0.159 0.000 0.819 307 L CB 0.865 42.973 42.059 0.082 0.000 1.176 307 L HN 0.383 nan 8.230 nan 0.000 0.435 308 V N 0.970 121.011 119.914 0.212 0.000 2.732 308 V HA 0.412 4.532 4.120 -0.000 0.000 0.310 308 V C -0.754 175.462 176.094 0.204 0.000 1.053 308 V CA -0.941 61.488 62.300 0.216 0.000 0.957 308 V CB 1.617 33.513 31.823 0.121 0.000 1.018 308 V HN 0.521 nan 8.190 nan 0.000 0.452 309 Y N 3.129 123.446 120.300 0.028 0.000 2.336 309 Y HA 0.636 5.185 4.550 -0.000 0.000 0.335 309 Y C -0.185 175.549 175.900 -0.278 0.000 1.046 309 Y CA -0.577 57.328 58.100 -0.325 0.000 1.198 309 Y CB 1.361 39.606 38.460 -0.358 0.000 1.182 309 Y HN 0.577 nan 8.280 nan 0.000 0.502 310 V N 10.508 129.875 119.914 -0.912 0.000 2.294 310 V HA 0.198 4.318 4.120 -0.000 0.000 0.272 310 V C -1.804 173.653 176.094 -1.061 0.000 1.027 310 V CA -1.560 60.304 62.300 -0.727 0.000 0.823 310 V CB 1.098 32.679 31.823 -0.403 0.000 1.030 310 V HN 0.759 nan 8.190 nan 0.000 0.457 311 P HA -0.165 nan 4.420 nan 0.000 0.216 311 P C 1.194 178.232 177.300 -0.438 0.000 1.150 311 P CA 1.199 63.870 63.100 -0.714 0.000 0.843 311 P CB 0.359 31.813 31.700 -0.411 0.000 0.787 312 E N -1.483 118.513 120.200 -0.340 0.000 2.472 312 E HA -0.029 4.320 4.350 -0.000 0.000 0.200 312 E C 1.521 177.999 176.600 -0.204 0.000 1.046 312 E CA 0.670 56.938 56.400 -0.220 0.000 0.871 312 E CB -0.399 29.200 29.700 -0.169 0.000 0.806 312 E HN 0.300 nan 8.360 nan 0.000 0.533 313 L N -0.812 120.246 121.223 -0.274 0.000 2.717 313 L HA 0.170 4.510 4.340 -0.000 0.000 0.239 313 L C 0.196 176.946 176.870 -0.200 0.000 1.086 313 L CA -0.110 54.605 54.840 -0.209 0.000 0.897 313 L CB 0.472 42.413 42.059 -0.198 0.000 1.214 313 L HN 0.002 nan 8.230 nan 0.000 0.508 314 D N 1.533 121.743 120.400 -0.318 0.000 2.746 314 D HA -0.204 4.435 4.640 -0.000 0.000 0.236 314 D C -0.044 176.207 176.300 -0.082 0.000 1.129 314 D CA 0.878 54.784 54.000 -0.157 0.000 0.691 314 D CB -0.626 40.180 40.800 0.010 0.000 1.077 314 D HN 0.428 nan 8.370 nan 0.000 0.432 315 Q N -0.570 119.053 119.800 -0.295 0.000 2.416 315 Q HA 0.492 4.832 4.340 -0.000 0.000 0.281 315 Q C -1.077 174.775 176.000 -0.246 0.000 1.067 315 Q CA -0.846 54.880 55.803 -0.128 0.000 0.809 315 Q CB 1.484 30.180 28.738 -0.071 0.000 1.418 315 Q HN 0.190 nan 8.270 nan 0.000 0.411 316 Y N 0.362 120.699 120.300 0.063 0.000 2.350 316 Y HA 0.483 5.033 4.550 -0.000 0.000 0.340 316 Y C -0.196 175.718 175.900 0.023 0.000 1.006 316 Y CA -0.497 57.642 58.100 0.066 0.000 1.166 316 Y CB 1.029 39.531 38.460 0.070 0.000 1.168 316 Y HN 0.230 nan 8.280 nan 0.000 0.502 317 V N 3.343 123.330 119.914 0.122 0.000 2.823 317 V HA 0.226 4.346 4.120 -0.000 0.000 0.312 317 V C 0.277 176.435 176.094 0.107 0.000 1.072 317 V CA -1.184 61.166 62.300 0.084 0.000 0.937 317 V CB 2.135 33.965 31.823 0.013 0.000 1.013 317 V HN 0.735 nan 8.190 nan 0.000 0.430 318 E N 3.700 123.964 120.200 0.107 0.000 2.301 318 E HA 0.127 4.476 4.350 -0.000 0.000 0.195 318 E C 0.044 176.695 176.600 0.086 0.000 1.171 318 E CA -0.263 56.209 56.400 0.120 0.000 1.142 318 E CB -0.569 29.209 29.700 0.130 0.000 1.218 318 E HN 0.663 nan 8.360 nan 0.000 0.448 319 I N -0.711 119.900 120.570 0.068 0.000 8.032 319 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 319 I C 0.092 176.225 176.117 0.026 0.000 1.845 319 I CA 1.004 62.332 61.300 0.047 0.000 2.048 319 I CB -2.154 35.886 38.000 0.065 0.000 3.748 319 I HN 0.592 nan 8.210 nan 0.000 0.173 320 N N 2.982 121.688 118.700 0.010 0.000 3.204 320 N HA 0.949 5.689 4.740 -0.000 0.000 0.285 320 N C 0.097 175.602 175.510 -0.009 0.000 1.536 320 N CA 0.736 53.786 53.050 0.000 0.000 0.832 320 N CB 1.171 39.658 38.487 -0.000 0.000 1.645 320 N HN 1.724 nan 8.380 nan 0.000 0.586 338 R N 1.061 121.597 120.500 0.061 0.000 2.120 338 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 338 R C 1.839 178.160 176.300 0.036 0.000 1.123 338 R CA 2.092 58.203 56.100 0.017 0.000 0.975 338 R CB -1.675 28.617 30.300 -0.013 0.000 0.866 338 R HN 0.876 nan 8.270 nan 0.000 0.446 339 E N 0.868 121.080 120.200 0.020 0.000 2.160 339 E HA -0.138 4.212 4.350 -0.000 0.000 0.195 339 E C 1.399 177.972 176.600 -0.045 0.000 0.991 339 E CA 1.009 57.389 56.400 -0.034 0.000 0.810 339 E CB -0.045 29.650 29.700 -0.008 0.000 0.742 339 E HN 0.505 nan 8.360 nan 0.000 0.466 340 N N -0.506 118.187 118.700 -0.013 0.000 2.573 340 N HA -0.092 4.648 4.740 -0.000 0.000 0.187 340 N C 0.435 175.760 175.510 -0.308 0.000 1.107 340 N CA 0.879 53.856 53.050 -0.122 0.000 0.918 340 N CB 0.132 38.554 38.487 -0.109 0.000 0.966 340 N HN 0.166 nan 8.380 nan 0.000 0.448 341 F N -0.993 118.892 119.950 -0.110 0.000 2.746 341 F HA 0.307 4.834 4.527 -0.000 0.000 0.320 341 F C 1.694 177.410 175.800 -0.140 0.000 1.097 341 F CA -0.240 57.690 58.000 -0.117 0.000 1.195 341 F CB 0.365 39.282 39.000 -0.137 0.000 1.056 341 F HN -0.114 nan 8.300 nan 0.000 0.562 342 L N -0.111 121.066 121.223 -0.076 0.000 2.127 342 L HA -0.060 4.280 4.340 -0.000 0.000 0.203 342 L C 1.880 178.654 176.870 -0.160 0.000 1.080 342 L CA 1.158 55.815 54.840 -0.305 0.000 0.768 342 L CB -0.379 41.251 42.059 -0.715 0.000 0.924 342 L HN -0.027 nan 8.230 nan 0.000 0.444 343 K N -0.119 120.236 120.400 -0.076 0.000 2.525 343 K HA -0.056 4.264 4.320 -0.000 0.000 0.192 343 K C 1.335 177.945 176.600 0.017 0.000 1.029 343 K CA 0.430 56.753 56.287 0.061 0.000 1.029 343 K CB 0.198 32.722 32.500 0.039 0.000 0.814 343 K HN 0.303 nan 8.250 nan 0.000 0.503 344 Q N -0.821 118.959 119.800 -0.034 0.000 2.281 344 Q HA 0.095 4.435 4.340 -0.000 0.000 0.215 344 Q C 0.871 176.891 176.000 0.033 0.000 0.867 344 Q CA 0.433 56.205 55.803 -0.052 0.000 0.940 344 Q CB 1.251 29.895 28.738 -0.156 0.000 1.111 344 Q HN 0.420 nan 8.270 nan 0.000 0.513 345 G N 2.418 111.266 108.800 0.080 0.000 2.221 345 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.265 345 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.265 345 G C 0.142 175.098 174.900 0.094 0.000 1.041 345 G CA 0.325 45.489 45.100 0.107 0.000 0.807 345 G HN 0.142 nan 8.290 nan 0.000 0.502 346 R N 0.008 120.570 120.500 0.103 0.000 2.490 346 R HA 0.440 4.780 4.340 -0.000 0.000 0.280 346 R C 0.195 176.513 176.300 0.029 0.000 1.077 346 R CA -0.431 55.727 56.100 0.096 0.000 1.065 346 R CB 0.579 30.998 30.300 0.199 0.000 1.003 346 R HN 0.136 nan 8.270 nan 0.000 0.470 347 K N 3.947 124.349 120.400 0.003 0.000 2.276 347 K HA 0.236 4.556 4.320 -0.000 0.000 0.285 347 K C -0.466 176.076 176.600 -0.096 0.000 1.062 347 K CA -0.236 56.038 56.287 -0.023 0.000 0.918 347 K CB 0.603 33.101 32.500 -0.003 0.000 1.055 347 K HN 0.490 nan 8.250 nan 0.000 0.477 348 L N 7.319 128.475 121.223 -0.112 0.000 2.367 348 L HA 0.311 4.651 4.340 -0.000 0.000 0.275 348 L C -1.655 175.074 176.870 -0.235 0.000 1.129 348 L CA -1.780 52.932 54.840 -0.213 0.000 0.839 348 L CB 0.598 42.581 42.059 -0.128 0.000 1.133 348 L HN 0.649 nan 8.230 nan 0.000 0.453 349 P HA 0.076 nan 4.420 nan 0.000 0.274 349 P C -0.039 176.997 177.300 -0.439 0.000 1.231 349 P CA -0.365 62.471 63.100 -0.440 0.000 0.790 349 P CB 0.874 32.166 31.700 -0.680 0.000 0.951 350 E N 1.159 121.237 120.200 -0.203 0.000 2.265 350 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 350 E C 1.575 178.157 176.600 -0.030 0.000 0.996 350 E CA 0.969 57.321 56.400 -0.080 0.000 0.832 350 E CB -0.137 29.573 29.700 0.016 0.000 0.756 350 E HN 0.683 nan 8.360 nan 0.000 0.491 351 W N -0.439 120.851 121.300 -0.016 0.000 2.519 351 W HA -0.067 4.593 4.660 -0.000 0.000 0.266 351 W C 1.380 177.834 176.519 -0.109 0.000 1.253 351 W CA 0.069 57.363 57.345 -0.085 0.000 1.274 351 W CB -0.623 28.734 29.460 -0.171 0.000 1.114 351 W HN -0.039 nan 8.180 nan 0.000 0.596 352 F N 2.264 121.811 119.950 -0.671 0.000 2.383 352 F HA 0.227 4.753 4.527 -0.000 0.000 0.287 352 F C 0.571 176.225 175.800 -0.242 0.000 1.069 352 F CA 1.347 58.991 58.000 -0.592 0.000 1.402 352 F CB 0.018 38.305 39.000 -1.188 0.000 1.116 352 F HN -0.402 nan 8.300 nan 0.000 0.549 353 T N 2.031 116.529 114.554 -0.094 0.000 2.900 353 T HA 0.421 4.771 4.350 -0.000 0.000 0.295 353 T C -0.866 173.790 174.700 -0.073 0.000 1.044 353 T CA -0.877 61.217 62.100 -0.010 0.000 0.995 353 T CB 1.918 70.889 68.868 0.172 0.000 1.072 353 T HN -0.220 nan 8.240 nan 0.000 0.473 354 R N 2.150 122.575 120.500 -0.125 0.000 2.643 354 R HA 0.196 4.536 4.340 -0.000 0.000 0.270 354 R C -1.861 174.424 176.300 -0.025 0.000 1.061 354 R CA -2.260 53.752 56.100 -0.147 0.000 1.107 354 R CB -0.246 29.835 30.300 -0.365 0.000 0.999 354 R HN 0.386 nan 8.270 nan 0.000 0.460 355 P HA -0.130 nan 4.420 nan 0.000 0.215 355 P C 0.528 177.864 177.300 0.059 0.000 1.153 355 P CA 1.223 64.352 63.100 0.048 0.000 0.853 355 P CB 0.333 32.075 31.700 0.070 0.000 0.788 356 E N -0.756 119.500 120.200 0.092 0.000 2.118 356 E HA -0.119 4.230 4.350 -0.000 0.000 0.195 356 E C 1.953 178.585 176.600 0.055 0.000 0.992 356 E CA 0.964 57.418 56.400 0.089 0.000 0.804 356 E CB -1.075 28.708 29.700 0.139 0.000 0.741 356 E HN 0.063 nan 8.360 nan 0.000 0.458 357 V N 0.726 120.658 119.914 0.029 0.000 2.379 357 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 357 V C 2.209 178.319 176.094 0.026 0.000 1.044 357 V CA 1.574 63.872 62.300 -0.003 0.000 1.036 357 V CB -0.811 30.978 31.823 -0.057 0.000 0.664 357 V HN 0.344 nan 8.190 nan 0.000 0.453 358 A N 1.226 124.068 122.820 0.038 0.000 1.883 358 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 358 A C 2.236 179.851 177.584 0.052 0.000 1.186 358 A CA 2.109 54.174 52.037 0.046 0.000 0.624 358 A CB -0.512 18.502 19.000 0.024 0.000 0.822 358 A HN 0.792 nan 8.150 nan 0.000 0.444 359 E N -0.330 119.899 120.200 0.049 0.000 2.152 359 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 359 E C 1.855 178.490 176.600 0.058 0.000 0.983 359 E CA 1.067 57.499 56.400 0.052 0.000 0.818 359 E CB -0.465 29.264 29.700 0.048 0.000 0.758 359 E HN 0.610 nan 8.360 nan 0.000 0.467 360 I N 1.236 121.839 120.570 0.055 0.000 2.179 360 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 360 I C 2.488 178.655 176.117 0.084 0.000 1.088 360 I CA 1.143 62.476 61.300 0.055 0.000 1.357 360 I CB -0.178 37.841 38.000 0.032 0.000 1.051 360 I HN 0.130 nan 8.210 nan 0.000 0.409 361 L N 0.288 121.575 121.223 0.107 0.000 2.083 361 L HA -0.183 4.156 4.340 -0.000 0.000 0.209 361 L C 2.752 179.763 176.870 0.235 0.000 1.083 361 L CA 1.274 56.238 54.840 0.207 0.000 0.752 361 L CB -0.688 41.464 42.059 0.154 0.000 0.899 361 L HN 0.232 nan 8.230 nan 0.000 0.433 362 A N -0.338 122.564 122.820 0.138 0.000 1.969 362 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 362 A C 2.162 179.799 177.584 0.088 0.000 1.169 362 A CA 1.340 53.446 52.037 0.115 0.000 0.635 362 A CB -0.338 18.708 19.000 0.076 0.000 0.810 362 A HN 0.437 nan 8.150 nan 0.000 0.445 363 E N -1.053 119.188 120.200 0.069 0.000 2.077 363 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 363 E C 2.173 178.774 176.600 0.002 0.000 0.989 363 E CA 1.736 58.158 56.400 0.036 0.000 0.800 363 E CB -0.194 29.526 29.700 0.035 0.000 0.746 363 E HN 0.728 nan 8.360 nan 0.000 0.452 364 T N -1.548 112.995 114.554 -0.019 0.000 3.051 364 T HA -0.047 4.303 4.350 -0.000 0.000 0.255 364 T C 0.147 174.630 174.700 -0.361 0.000 1.085 364 T CA 0.145 62.126 62.100 -0.198 0.000 1.109 364 T CB 0.074 68.783 68.868 -0.264 0.000 0.921 364 T HN 0.042 nan 8.240 nan 0.000 0.488 365 Y N 3.032 123.347 120.300 0.025 0.000 2.712 365 Y HA 0.521 5.071 4.550 -0.000 0.000 0.328 365 Y C 0.247 176.161 175.900 0.023 0.000 0.995 365 Y CA -1.466 56.651 58.100 0.028 0.000 1.283 365 Y CB 0.918 39.399 38.460 0.034 0.000 1.092 365 Y HN 0.119 nan 8.280 nan 0.000 0.519 366 V N 0.715 120.693 119.914 0.106 0.000 2.953 366 V HA 0.572 4.692 4.120 -0.000 0.000 0.304 366 V C -2.516 173.607 176.094 0.048 0.000 1.073 366 V CA -2.805 59.527 62.300 0.054 0.000 1.064 366 V CB 0.851 32.679 31.823 0.009 0.000 1.047 366 V HN 0.319 nan 8.190 nan 0.000 0.478 367 P HA 0.098 nan 4.420 nan 0.000 0.267 367 P C 0.377 177.659 177.300 -0.029 0.000 1.201 367 P CA 0.008 63.099 63.100 -0.014 0.000 0.775 367 P CB 0.424 32.070 31.700 -0.090 0.000 0.854 368 K N 2.675 123.104 120.400 0.048 0.000 2.074 368 K HA -0.233 4.086 4.320 -0.000 0.000 0.209 368 K C 1.813 178.482 176.600 0.116 0.000 1.048 368 K CA 1.726 58.028 56.287 0.026 0.000 0.926 368 K CB -0.648 31.799 32.500 -0.088 0.000 0.713 368 K HN 0.610 nan 8.250 nan 0.000 0.444 369 H N -0.781 118.336 119.070 0.079 0.000 2.567 369 H HA 0.037 4.593 4.556 -0.000 0.000 0.276 369 H C 0.554 175.997 175.328 0.191 0.000 1.016 369 H CA 0.889 57.023 56.048 0.143 0.000 1.186 369 H CB 0.134 29.947 29.762 0.086 0.000 1.351 369 H HN 0.231 nan 8.280 nan 0.000 0.605 370 K N 0.451 120.760 120.400 -0.150 0.000 2.402 370 K HA 0.138 4.458 4.320 -0.000 0.000 0.204 370 K C 0.176 176.819 176.600 0.072 0.000 1.056 370 K CA -0.196 56.047 56.287 -0.074 0.000 1.069 370 K CB 1.041 33.422 32.500 -0.197 0.000 0.888 370 K HN 0.304 nan 8.250 nan 0.000 0.546 371 Q N 0.595 120.514 119.800 0.198 0.000 2.373 371 Q HA 0.166 4.506 4.340 -0.000 0.000 0.255 371 Q C 0.405 176.583 176.000 0.295 0.000 0.980 371 Q CA -0.317 55.648 55.803 0.270 0.000 0.882 371 Q CB 1.040 30.003 28.738 0.375 0.000 1.249 371 Q HN 0.171 nan 8.270 nan 0.000 0.438 372 G N 1.367 110.259 108.800 0.153 0.000 2.467 372 G HA2 0.464 4.423 3.960 -0.000 0.000 0.257 372 G HA3 0.464 4.423 3.960 -0.000 0.000 0.257 372 G C -0.823 174.102 174.900 0.043 0.000 1.227 372 G CA -0.226 44.872 45.100 -0.005 0.000 0.835 372 G HN 0.522 nan 8.290 nan 0.000 0.556 373 F N -0.813 119.042 119.950 -0.158 0.000 2.693 373 F HA 0.610 5.136 4.527 -0.000 0.000 0.309 373 F C -0.972 174.742 175.800 -0.144 0.000 1.129 373 F CA -2.112 55.722 58.000 -0.276 0.000 0.948 373 F CB 0.929 39.441 39.000 -0.815 0.000 1.315 373 F HN 0.569 nan 8.300 nan 0.000 0.447 374 C N 2.922 122.317 119.300 0.158 0.000 2.319 374 C HA 0.846 5.305 4.460 -0.000 0.000 0.323 374 C C -0.718 174.322 174.990 0.084 0.000 1.277 374 C CA -0.460 58.632 59.018 0.123 0.000 1.517 374 C CB 0.226 28.112 27.740 0.244 0.000 2.206 374 C HN 0.734 nan 8.230 nan 0.000 0.486 375 V N 7.454 127.422 119.914 0.090 0.000 2.348 375 V HA 0.329 4.449 4.120 -0.000 0.000 0.270 375 V C -0.123 175.971 176.094 -0.000 0.000 1.037 375 V CA -0.387 61.925 62.300 0.020 0.000 0.872 375 V CB 0.853 32.718 31.823 0.071 0.000 1.002 375 V HN 0.885 nan 8.190 nan 0.000 0.464 376 W N 7.575 128.690 121.300 -0.309 0.000 2.282 376 W HA 0.529 5.189 4.660 -0.000 0.000 0.322 376 W C -1.321 175.130 176.519 -0.114 0.000 1.011 376 W CA -1.067 56.150 57.345 -0.214 0.000 1.392 376 W CB 1.384 30.634 29.460 -0.350 0.000 1.215 376 W HN 0.448 nan 8.180 nan 0.000 0.394 377 L N 6.326 127.441 121.223 -0.180 0.000 2.268 377 L HA 0.240 4.580 4.340 -0.000 0.000 0.289 377 L C 0.778 177.607 176.870 -0.069 0.000 1.064 377 L CA 0.084 54.880 54.840 -0.074 0.000 0.824 377 L CB 1.076 43.076 42.059 -0.098 0.000 1.202 377 L HN 0.199 nan 8.230 nan 0.000 0.433 378 T N 2.058 116.719 114.554 0.178 0.000 2.918 378 T HA 0.908 5.257 4.350 -0.000 0.000 0.286 378 T C -0.144 174.739 174.700 0.304 0.000 1.026 378 T CA -0.015 62.263 62.100 0.296 0.000 1.031 378 T CB 1.722 70.908 68.868 0.530 0.000 1.046 378 T HN 0.856 nan 8.240 nan 0.000 0.479 379 G N 2.116 111.025 108.800 0.183 0.000 2.339 379 G HA2 0.315 4.275 3.960 -0.000 0.000 0.302 379 G HA3 0.315 4.275 3.960 -0.000 0.000 0.302 379 G C -1.444 173.218 174.900 -0.396 0.000 1.425 379 G CA -0.993 44.010 45.100 -0.161 0.000 0.899 379 G HN 0.885 nan 8.290 nan 0.000 0.619 380 L N 0.966 121.881 121.223 -0.514 0.000 2.479 380 L HA 0.267 4.606 4.340 -0.000 0.000 0.270 380 L C -1.649 175.101 176.870 -0.201 0.000 1.236 380 L CA -1.242 53.390 54.840 -0.347 0.000 0.823 380 L CB 0.400 42.309 42.059 -0.251 0.000 1.098 380 L HN 0.275 nan 8.230 nan 0.000 0.500 381 P HA -0.004 nan 4.420 nan 0.000 0.266 381 P C 0.198 177.442 177.300 -0.092 0.000 1.195 381 P CA -0.075 62.940 63.100 -0.142 0.000 0.768 381 P CB 0.361 31.940 31.700 -0.202 0.000 0.838 382 C N 1.190 120.440 119.300 -0.083 0.000 4.784 382 C HA -0.213 4.247 4.460 -0.000 0.000 0.261 382 C C 2.272 177.202 174.990 -0.101 0.000 1.492 382 C CA 0.834 59.801 59.018 -0.085 0.000 1.622 382 C CB -2.671 25.009 27.740 -0.100 0.000 1.855 382 C HN 0.734 nan 8.230 nan 0.000 0.662 383 A N -0.019 122.732 122.820 -0.116 0.000 2.032 383 A HA 0.286 4.606 4.320 -0.000 0.000 0.221 383 A C 2.242 179.762 177.584 -0.107 0.000 1.165 383 A CA 2.807 54.768 52.037 -0.127 0.000 0.645 383 A CB -0.748 18.161 19.000 -0.151 0.000 0.807 383 A HN 2.507 nan 8.150 nan 0.000 0.453 384 G N -1.725 107.021 108.800 -0.091 0.000 2.141 384 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.164 384 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.164 384 G C 0.646 175.502 174.900 -0.072 0.000 1.009 384 G CA 0.580 45.634 45.100 -0.076 0.000 0.677 384 G HN 0.513 nan 8.290 nan 0.000 0.508 385 K N 0.395 120.748 120.400 -0.079 0.000 2.032 385 K HA -0.041 4.279 4.320 -0.000 0.000 0.209 385 K C 2.584 179.139 176.600 -0.074 0.000 1.048 385 K CA 1.711 57.950 56.287 -0.079 0.000 0.927 385 K CB -0.227 32.218 32.500 -0.092 0.000 0.712 385 K HN 0.288 nan 8.250 nan 0.000 0.441 386 S N 0.404 116.063 115.700 -0.069 0.000 2.368 386 S HA -0.094 4.376 4.470 -0.000 0.000 0.224 386 S C 2.020 176.593 174.600 -0.046 0.000 1.029 386 S CA 1.561 59.725 58.200 -0.059 0.000 0.988 386 S CB -0.267 62.902 63.200 -0.051 0.000 0.838 386 S HN 0.351 nan 8.310 nan 0.000 0.462 387 T N 2.629 117.157 114.554 -0.043 0.000 2.684 387 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 387 T C 1.735 176.415 174.700 -0.034 0.000 1.036 387 T CA 1.190 63.269 62.100 -0.036 0.000 1.148 387 T CB -0.412 68.434 68.868 -0.036 0.000 0.863 387 T HN 0.308 nan 8.240 nan 0.000 0.436 388 I N 1.363 121.909 120.570 -0.040 0.000 2.179 388 I HA -0.158 4.011 4.170 -0.000 0.000 0.242 388 I C 2.961 179.061 176.117 -0.029 0.000 1.088 388 I CA 1.112 62.391 61.300 -0.035 0.000 1.357 388 I CB -0.498 37.476 38.000 -0.042 0.000 1.051 388 I HN 0.195 nan 8.210 nan 0.000 0.409 389 A N 0.232 123.028 122.820 -0.039 0.000 1.940 389 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 389 A C 2.222 179.790 177.584 -0.027 0.000 1.176 389 A CA 1.729 53.743 52.037 -0.038 0.000 0.631 389 A CB -0.544 18.419 19.000 -0.061 0.000 0.814 389 A HN 0.454 nan 8.150 nan 0.000 0.446 390 E N -0.498 119.686 120.200 -0.026 0.000 2.072 390 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 390 E C 1.902 178.495 176.600 -0.010 0.000 0.982 390 E CA 1.059 57.447 56.400 -0.019 0.000 0.803 390 E CB -0.232 29.456 29.700 -0.019 0.000 0.755 390 E HN 0.705 nan 8.360 nan 0.000 0.453 391 I N 0.841 121.405 120.570 -0.010 0.000 2.179 391 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 391 I C 2.482 178.603 176.117 0.007 0.000 1.088 391 I CA 0.595 61.893 61.300 -0.002 0.000 1.357 391 I CB -0.162 37.835 38.000 -0.005 0.000 1.051 391 I HN 0.140 nan 8.210 nan 0.000 0.409 392 L N 1.219 122.447 121.223 0.009 0.000 2.046 392 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 392 L C 2.605 179.494 176.870 0.031 0.000 1.077 392 L CA 2.109 56.965 54.840 0.027 0.000 0.747 392 L CB -0.873 41.205 42.059 0.030 0.000 0.896 392 L HN 0.208 nan 8.230 nan 0.000 0.432 393 A N -1.413 121.415 122.820 0.013 0.000 1.903 393 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 393 A C 2.283 179.873 177.584 0.011 0.000 1.191 393 A CA 2.718 54.758 52.037 0.006 0.000 0.638 393 A CB -1.370 17.624 19.000 -0.010 0.000 0.823 393 A HN 0.541 nan 8.150 nan 0.000 0.451 394 T N 0.058 114.618 114.554 0.010 0.000 2.746 394 T HA -0.136 4.214 4.350 -0.000 0.000 0.267 394 T C 1.942 176.655 174.700 0.022 0.000 1.039 394 T CA 1.769 63.876 62.100 0.012 0.000 1.142 394 T CB -0.334 68.539 68.868 0.008 0.000 0.866 394 T HN 0.471 nan 8.240 nan 0.000 0.444 395 M N 0.241 119.858 119.600 0.029 0.000 2.159 395 M HA -0.049 4.431 4.480 -0.000 0.000 0.263 395 M C 1.979 178.313 176.300 0.055 0.000 1.063 395 M CA 1.257 56.581 55.300 0.040 0.000 1.110 395 M CB -0.433 32.193 32.600 0.044 0.000 1.374 395 M HN 0.147 nan 8.290 nan 0.000 0.411 396 L N 0.174 121.435 121.223 0.064 0.000 2.044 396 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 396 L C 2.429 179.334 176.870 0.059 0.000 1.075 396 L CA 1.802 56.693 54.840 0.085 0.000 0.747 396 L CB -1.163 40.956 42.059 0.098 0.000 0.903 396 L HN 0.324 nan 8.230 nan 0.000 0.435 397 Q N -0.977 118.843 119.800 0.033 0.000 2.135 397 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 397 Q C 2.188 178.205 176.000 0.028 0.000 0.981 397 Q CA 1.626 57.442 55.803 0.022 0.000 0.856 397 Q CB -0.272 28.472 28.738 0.009 0.000 0.902 397 Q HN 0.547 nan 8.270 nan 0.000 0.425 398 A N 0.692 123.531 122.820 0.031 0.000 2.067 398 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 398 A C 1.743 179.351 177.584 0.040 0.000 1.158 398 A CA 0.932 52.987 52.037 0.031 0.000 0.661 398 A CB -0.102 18.914 19.000 0.028 0.000 0.801 398 A HN 0.156 nan 8.150 nan 0.000 0.452 399 R N -1.524 119.008 120.500 0.053 0.000 2.317 399 R HA 0.260 4.599 4.340 -0.000 0.000 0.208 399 R C 0.938 177.283 176.300 0.076 0.000 0.914 399 R CA 0.589 56.729 56.100 0.067 0.000 1.060 399 R CB 0.181 30.533 30.300 0.086 0.000 1.015 399 R HN 0.623 nan 8.270 nan 0.000 0.498 400 G N 1.240 110.076 108.800 0.060 0.000 2.140 400 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.211 400 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.211 400 G C -0.534 174.398 174.900 0.054 0.000 1.013 400 G CA -0.611 44.522 45.100 0.056 0.000 0.705 400 G HN 0.025 nan 8.290 nan 0.000 0.508 401 R N 0.487 121.016 120.500 0.048 0.000 2.387 401 R HA 0.416 4.756 4.340 -0.000 0.000 0.314 401 R C 0.324 176.616 176.300 -0.012 0.000 0.958 401 R CA -0.677 55.436 56.100 0.021 0.000 0.846 401 R CB 1.168 31.488 30.300 0.033 0.000 1.147 401 R HN 0.353 nan 8.270 nan 0.000 0.447 402 K N 1.546 121.927 120.400 -0.032 0.000 2.350 402 K HA 0.296 4.616 4.320 -0.000 0.000 0.279 402 K C -0.151 176.404 176.600 -0.076 0.000 1.027 402 K CA -0.241 56.019 56.287 -0.045 0.000 0.969 402 K CB 0.985 33.459 32.500 -0.043 0.000 0.954 402 K HN 0.167 nan 8.250 nan 0.000 0.474 403 V N 2.385 122.259 119.914 -0.068 0.000 2.604 403 V HA 0.204 4.323 4.120 -0.000 0.000 0.305 403 V C -0.203 175.847 176.094 -0.074 0.000 1.043 403 V CA -0.852 61.397 62.300 -0.085 0.000 0.888 403 V CB 2.092 33.877 31.823 -0.063 0.000 0.995 403 V HN 0.752 nan 8.190 nan 0.000 0.429 404 T N 5.635 120.137 114.554 -0.085 0.000 2.749 404 T HA 0.498 4.848 4.350 -0.000 0.000 0.287 404 T C -0.545 174.119 174.700 -0.061 0.000 0.970 404 T CA -0.106 61.953 62.100 -0.069 0.000 0.980 404 T CB 0.907 69.733 68.868 -0.070 0.000 0.924 404 T HN 0.407 nan 8.240 nan 0.000 0.456 405 L N 5.735 126.929 121.223 -0.048 0.000 2.277 405 L HA 0.471 4.811 4.340 -0.000 0.000 0.284 405 L C -0.605 176.242 176.870 -0.039 0.000 1.028 405 L CA -0.236 54.577 54.840 -0.045 0.000 0.835 405 L CB 0.272 42.309 42.059 -0.036 0.000 1.215 405 L HN 0.623 nan 8.230 nan 0.000 0.425 406 L N 5.344 126.534 121.223 -0.055 0.000 2.598 406 L HA 0.278 4.618 4.340 -0.000 0.000 0.241 406 L C -0.144 176.673 176.870 -0.090 0.000 1.244 406 L CA -0.655 54.153 54.840 -0.052 0.000 1.198 406 L CB -0.441 41.591 42.059 -0.044 0.000 1.448 406 L HN 0.644 nan 8.230 nan 0.000 0.406 407 D N -0.233 120.129 120.400 -0.064 0.000 2.478 407 D HA 0.141 4.780 4.640 -0.000 0.000 0.269 407 D C 1.404 177.671 176.300 -0.055 0.000 1.232 407 D CA -0.174 53.782 54.000 -0.074 0.000 1.059 407 D CB 0.775 41.542 40.800 -0.056 0.000 1.104 407 D HN 0.097 nan 8.370 nan 0.000 0.566 408 G N -0.697 108.071 108.800 -0.053 0.000 2.476 408 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 408 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 408 G C 1.058 175.946 174.900 -0.021 0.000 1.164 408 G CA 0.912 45.990 45.100 -0.035 0.000 0.768 408 G HN 0.545 nan 8.290 nan 0.000 0.560 409 D N -0.035 120.354 120.400 -0.018 0.000 2.137 409 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 409 D C 2.811 179.102 176.300 -0.016 0.000 0.970 409 D CA 0.523 54.512 54.000 -0.019 0.000 0.837 409 D CB -0.268 40.523 40.800 -0.015 0.000 0.981 409 D HN 0.189 nan 8.370 nan 0.000 0.475 410 V N 1.056 120.982 119.914 0.019 0.000 2.295 410 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 410 V C 2.691 178.846 176.094 0.102 0.000 1.049 410 V CA 1.072 63.431 62.300 0.098 0.000 1.024 410 V CB -0.387 31.489 31.823 0.089 0.000 0.648 410 V HN 0.041 nan 8.190 nan 0.000 0.447 411 V N -0.391 119.547 119.914 0.040 0.000 2.343 411 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 411 V C 2.527 178.629 176.094 0.013 0.000 1.051 411 V CA 2.329 64.651 62.300 0.036 0.000 1.036 411 V CB -0.701 31.127 31.823 0.007 0.000 0.654 411 V HN 0.439 nan 8.190 nan 0.000 0.451 412 R N -0.493 119.995 120.500 -0.020 0.000 2.115 412 R HA -0.108 4.232 4.340 -0.000 0.000 0.226 412 R C 2.318 178.568 176.300 -0.084 0.000 1.100 412 R CA 1.745 57.817 56.100 -0.046 0.000 0.980 412 R CB -0.268 30.007 30.300 -0.042 0.000 0.875 412 R HN 0.559 nan 8.270 nan 0.000 0.445 413 T N -0.668 113.798 114.554 -0.147 0.000 2.770 413 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 413 T C 1.180 175.686 174.700 -0.323 0.000 1.039 413 T CA 1.005 62.922 62.100 -0.304 0.000 1.142 413 T CB -0.107 68.447 68.868 -0.522 0.000 0.868 413 T HN 0.355 nan 8.240 nan 0.000 0.435 414 H N -0.519 118.549 119.070 -0.003 0.000 2.604 414 H HA 0.397 4.952 4.556 -0.000 0.000 0.273 414 H C 1.834 177.169 175.328 0.012 0.000 0.971 414 H CA 0.460 56.510 56.048 0.004 0.000 1.249 414 H CB 0.583 30.348 29.762 0.005 0.000 1.449 414 H HN 0.260 nan 8.280 nan 0.000 0.512 415 L N -0.057 121.233 121.223 0.111 0.000 2.624 415 L HA 0.061 4.400 4.340 -0.000 0.000 0.222 415 L C 1.690 178.589 176.870 0.048 0.000 1.046 415 L CA 0.754 55.648 54.840 0.089 0.000 0.872 415 L CB 0.275 42.395 42.059 0.101 0.000 1.190 415 L HN 0.079 nan 8.230 nan 0.000 0.487 416 S N -1.385 114.326 115.700 0.017 0.000 2.559 416 S HA 0.204 4.674 4.470 -0.000 0.000 0.226 416 S C 0.837 175.412 174.600 -0.042 0.000 1.000 416 S CA -0.550 57.644 58.200 -0.011 0.000 0.948 416 S CB 0.082 63.269 63.200 -0.021 0.000 0.870 416 S HN 0.109 nan 8.310 nan 0.000 0.497 417 R N 1.220 121.698 120.500 -0.037 0.000 2.537 417 R HA 0.293 4.633 4.340 -0.000 0.000 0.281 417 R C 1.407 177.683 176.300 -0.039 0.000 0.988 417 R CA 1.303 57.375 56.100 -0.046 0.000 1.077 417 R CB -0.046 30.231 30.300 -0.038 0.000 0.932 417 R HN 0.624 nan 8.270 nan 0.000 0.409 418 G N 2.127 110.897 108.800 -0.049 0.000 2.234 418 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.235 418 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.235 418 G C 0.143 175.012 174.900 -0.050 0.000 0.997 418 G CA -0.351 44.725 45.100 -0.041 0.000 0.623 418 G HN 0.445 nan 8.290 nan 0.000 0.514 419 L N 1.168 122.349 121.223 -0.069 0.000 2.334 419 L HA 0.664 5.003 4.340 -0.000 0.000 0.277 419 L C 1.421 178.194 176.870 -0.162 0.000 1.075 419 L CA -0.145 54.644 54.840 -0.084 0.000 0.804 419 L CB 1.351 43.371 42.059 -0.065 0.000 1.174 419 L HN 0.259 nan 8.230 nan 0.000 0.438 420 G N 0.905 109.618 108.800 -0.145 0.000 2.945 420 G HA2 0.322 4.281 3.960 -0.000 0.000 0.156 420 G HA3 0.322 4.281 3.960 -0.000 0.000 0.156 420 G C -0.107 174.620 174.900 -0.289 0.000 1.375 420 G CA -0.216 44.755 45.100 -0.215 0.000 1.039 420 G HN 0.526 nan 8.290 nan 0.000 0.586 421 F N 0.849 120.830 119.950 0.050 0.000 2.698 421 F HA 0.277 4.804 4.527 -0.000 0.000 0.304 421 F C 1.476 177.324 175.800 0.080 0.000 1.108 421 F CA -0.414 57.625 58.000 0.065 0.000 1.263 421 F CB 0.835 39.871 39.000 0.060 0.000 1.013 421 F HN 0.290 nan 8.300 nan 0.000 0.532 422 S N -0.192 115.633 115.700 0.208 0.000 2.592 422 S HA 0.116 4.586 4.470 -0.000 0.000 0.271 422 S C 1.303 175.993 174.600 0.149 0.000 1.326 422 S CA -0.673 57.617 58.200 0.151 0.000 1.024 422 S CB 1.677 64.929 63.200 0.085 0.000 0.921 422 S HN 0.412 nan 8.310 nan 0.000 0.527 423 K N 1.575 122.040 120.400 0.109 0.000 2.059 423 K HA -0.255 4.064 4.320 -0.000 0.000 0.212 423 K C 1.984 178.560 176.600 -0.041 0.000 1.050 423 K CA 2.256 58.551 56.287 0.013 0.000 0.927 423 K CB -0.363 32.057 32.500 -0.134 0.000 0.714 423 K HN 0.838 nan 8.250 nan 0.000 0.447 424 E N 0.055 120.238 120.200 -0.027 0.000 2.049 424 E HA -0.214 4.136 4.350 -0.000 0.000 0.198 424 E C 1.774 178.386 176.600 0.021 0.000 1.007 424 E CA 1.751 58.138 56.400 -0.021 0.000 0.809 424 E CB -0.064 29.628 29.700 -0.014 0.000 0.749 424 E HN 0.399 nan 8.360 nan 0.000 0.450 425 D N -0.692 119.736 120.400 0.046 0.000 2.219 425 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 425 D C 2.144 178.499 176.300 0.092 0.000 0.970 425 D CA 1.458 55.488 54.000 0.049 0.000 0.851 425 D CB -0.255 40.561 40.800 0.026 0.000 0.943 425 D HN 0.165 nan 8.370 nan 0.000 0.488 426 R N 0.784 121.385 120.500 0.167 0.000 2.090 426 R HA 0.034 4.374 4.340 -0.000 0.000 0.228 426 R C 2.327 178.788 176.300 0.269 0.000 1.110 426 R CA 0.841 57.100 56.100 0.265 0.000 0.973 426 R CB -1.371 29.203 30.300 0.456 0.000 0.869 426 R HN 0.247 nan 8.270 nan 0.000 0.440 427 I N 0.580 121.269 120.570 0.198 0.000 2.163 427 I HA -0.219 3.951 4.170 -0.000 0.000 0.240 427 I C 2.549 178.732 176.117 0.110 0.000 1.081 427 I CA 1.952 63.337 61.300 0.142 0.000 1.353 427 I CB -0.443 37.560 38.000 0.004 0.000 1.054 427 I HN 0.298 nan 8.210 nan 0.000 0.407 428 T N 0.404 115.001 114.554 0.072 0.000 2.685 428 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 428 T C 1.720 176.472 174.700 0.088 0.000 1.034 428 T CA 2.004 64.138 62.100 0.058 0.000 1.149 428 T CB -0.628 68.259 68.868 0.032 0.000 0.860 428 T HN 0.435 nan 8.240 nan 0.000 0.449 429 N N 0.369 119.134 118.700 0.109 0.000 2.142 429 N HA -0.046 4.694 4.740 -0.000 0.000 0.186 429 N C 1.946 177.572 175.510 0.193 0.000 1.023 429 N CA 0.910 54.035 53.050 0.126 0.000 0.852 429 N CB -0.124 38.426 38.487 0.106 0.000 0.998 429 N HN 0.365 nan 8.380 nan 0.000 0.424 430 I N 1.299 122.013 120.570 0.241 0.000 2.226 430 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 430 I C 2.108 178.399 176.117 0.291 0.000 1.100 430 I CA 0.923 62.436 61.300 0.355 0.000 1.374 430 I CB -0.207 37.992 38.000 0.330 0.000 1.057 430 I HN 0.194 nan 8.210 nan 0.000 0.413 431 L N 0.158 121.485 121.223 0.174 0.000 2.141 431 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 431 L C 2.740 179.720 176.870 0.183 0.000 1.094 431 L CA 1.111 56.026 54.840 0.126 0.000 0.763 431 L CB -0.604 41.495 42.059 0.067 0.000 0.908 431 L HN 0.258 nan 8.230 nan 0.000 0.437 432 R N 0.293 120.904 120.500 0.185 0.000 2.062 432 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 432 R C 2.241 178.711 176.300 0.283 0.000 1.128 432 R CA 1.329 57.554 56.100 0.210 0.000 0.960 432 R CB -0.167 30.217 30.300 0.140 0.000 0.855 432 R HN 0.096 nan 8.270 nan 0.000 0.432 433 V N 0.767 120.845 119.914 0.273 0.000 2.407 433 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 433 V C 2.404 178.726 176.094 0.379 0.000 1.055 433 V CA 2.021 64.493 62.300 0.287 0.000 1.049 433 V CB -0.933 31.044 31.823 0.256 0.000 0.662 433 V HN 0.689 nan 8.190 nan 0.000 0.455 434 G N -0.587 108.469 108.800 0.426 0.000 2.421 434 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.216 434 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.216 434 G C 1.542 176.569 174.900 0.213 0.000 1.171 434 G CA 1.063 46.343 45.100 0.301 0.000 0.775 434 G HN 0.507 nan 8.290 nan 0.000 0.543 435 F N 1.466 121.476 119.950 0.100 0.000 2.095 435 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 435 F C 2.659 178.509 175.800 0.083 0.000 1.104 435 F CA 1.753 59.795 58.000 0.070 0.000 1.232 435 F CB -0.483 38.550 39.000 0.055 0.000 0.987 435 F HN 0.011 nan 8.300 nan 0.000 0.475 436 V N 0.993 120.897 119.914 -0.017 0.000 2.255 436 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 436 V C 2.851 178.879 176.094 -0.111 0.000 1.051 436 V CA 2.021 64.243 62.300 -0.129 0.000 1.018 436 V CB -1.749 30.114 31.823 0.066 0.000 0.641 436 V HN 0.534 nan 8.190 nan 0.000 0.445 437 A N 0.869 123.707 122.820 0.031 0.000 1.917 437 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 437 A C 2.555 180.146 177.584 0.010 0.000 1.182 437 A CA 2.803 54.879 52.037 0.065 0.000 0.633 437 A CB -0.914 18.221 19.000 0.226 0.000 0.819 437 A HN 0.738 nan 8.150 nan 0.000 0.448 438 S N -0.509 115.173 115.700 -0.030 0.000 2.382 438 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 438 S C 1.654 176.186 174.600 -0.114 0.000 1.027 438 S CA 1.354 59.522 58.200 -0.053 0.000 0.991 438 S CB -0.370 62.802 63.200 -0.048 0.000 0.823 438 S HN 0.551 nan 8.310 nan 0.000 0.469 439 E N 1.538 121.602 120.200 -0.227 0.000 2.072 439 E HA 0.035 4.385 4.350 -0.000 0.000 0.191 439 E C 2.107 178.713 176.600 0.010 0.000 0.985 439 E CA 0.946 57.249 56.400 -0.162 0.000 0.801 439 E CB -0.495 29.027 29.700 -0.296 0.000 0.750 439 E HN 0.628 nan 8.360 nan 0.000 0.452 440 I N 0.555 121.107 120.570 -0.030 0.000 2.179 440 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 440 I C 2.435 178.553 176.117 0.002 0.000 1.088 440 I CA 0.733 62.034 61.300 0.001 0.000 1.357 440 I CB -0.302 37.671 38.000 -0.045 0.000 1.051 440 I HN -0.078 nan 8.210 nan 0.000 0.409 441 V N 1.057 120.957 119.914 -0.023 0.000 2.332 441 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 441 V C 2.533 178.607 176.094 -0.033 0.000 1.055 441 V CA 2.132 64.419 62.300 -0.022 0.000 1.038 441 V CB -0.730 31.102 31.823 0.015 0.000 0.651 441 V HN 0.446 nan 8.190 nan 0.000 0.450 442 K N -0.587 119.767 120.400 -0.077 0.000 2.160 442 K HA -0.223 4.097 4.320 -0.000 0.000 0.206 442 K C 1.725 178.153 176.600 -0.287 0.000 1.047 442 K CA 1.676 57.847 56.287 -0.194 0.000 0.930 442 K CB -0.168 32.163 32.500 -0.283 0.000 0.720 442 K HN 0.590 nan 8.250 nan 0.000 0.450 443 H N 0.397 119.431 119.070 -0.059 0.000 2.519 443 H HA 0.130 4.686 4.556 -0.000 0.000 0.289 443 H C -0.151 175.144 175.328 -0.054 0.000 1.040 443 H CA 0.105 56.118 56.048 -0.058 0.000 1.165 443 H CB 0.240 29.964 29.762 -0.064 0.000 1.462 443 H HN 0.315 nan 8.280 nan 0.000 0.555 444 N N 0.419 119.130 118.700 0.018 0.000 2.741 444 N HA -0.122 4.618 4.740 -0.000 0.000 0.250 444 N C 0.721 176.210 175.510 -0.035 0.000 1.115 444 N CA 0.932 53.984 53.050 0.003 0.000 0.724 444 N CB -1.275 37.220 38.487 0.014 0.000 1.090 444 N HN 0.484 nan 8.380 nan 0.000 0.558 445 G N -0.435 108.333 108.800 -0.053 0.000 2.507 445 G HA2 0.518 4.478 3.960 -0.000 0.000 0.271 445 G HA3 0.518 4.478 3.960 -0.000 0.000 0.271 445 G C 0.189 174.938 174.900 -0.252 0.000 1.189 445 G CA -0.352 44.678 45.100 -0.117 0.000 0.859 445 G HN 0.077 nan 8.290 nan 0.000 0.542 446 V N 0.551 120.263 119.914 -0.338 0.000 2.439 446 V HA 0.473 4.593 4.120 -0.000 0.000 0.282 446 V C -0.029 175.879 176.094 -0.311 0.000 1.039 446 V CA -0.614 61.347 62.300 -0.565 0.000 0.913 446 V CB 1.268 32.703 31.823 -0.647 0.000 0.983 446 V HN 0.504 nan 8.190 nan 0.000 0.460 447 V N 7.232 126.988 119.914 -0.263 0.000 2.531 447 V HA 0.597 4.717 4.120 -0.000 0.000 0.301 447 V C -0.653 175.396 176.094 -0.074 0.000 1.034 447 V CA -0.369 61.860 62.300 -0.119 0.000 0.865 447 V CB 1.715 33.507 31.823 -0.052 0.000 0.995 447 V HN 0.763 nan 8.190 nan 0.000 0.424 448 I N 6.665 127.197 120.570 -0.063 0.000 2.362 448 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 448 I C -0.422 175.641 176.117 -0.091 0.000 0.994 448 I CA -0.306 60.963 61.300 -0.052 0.000 1.158 448 I CB 1.425 39.399 38.000 -0.043 0.000 1.315 448 I HN 0.508 nan 8.210 nan 0.000 0.451 449 C N 5.146 124.358 119.300 -0.147 0.000 2.382 449 C HA 0.829 5.289 4.460 -0.000 0.000 0.327 449 C C 0.496 175.230 174.990 -0.427 0.000 1.250 449 C CA -0.562 58.261 59.018 -0.326 0.000 1.707 449 C CB 0.906 28.323 27.740 -0.537 0.000 2.272 449 C HN 0.835 nan 8.230 nan 0.000 0.506 450 A N 4.162 126.759 122.820 -0.372 0.000 2.815 450 A HA 0.746 5.066 4.320 -0.000 0.000 0.318 450 A C -0.850 176.573 177.584 -0.269 0.000 1.186 450 A CA -0.182 51.679 52.037 -0.292 0.000 0.754 450 A CB 0.071 18.971 19.000 -0.168 0.000 1.151 450 A HN 0.864 nan 8.150 nan 0.000 0.452 451 L N 1.476 122.494 121.223 -0.341 0.000 2.371 451 L HA 0.413 4.753 4.340 -0.000 0.000 0.262 451 L C 1.326 178.150 176.870 -0.077 0.000 1.006 451 L CA -1.089 53.638 54.840 -0.189 0.000 0.818 451 L CB 2.025 43.971 42.059 -0.188 0.000 1.354 451 L HN 0.256 nan 8.230 nan 0.000 0.415 452 V N -0.089 119.817 119.914 -0.014 0.000 2.324 452 V HA -0.266 3.854 4.120 -0.000 0.000 0.250 452 V C 1.286 177.501 176.094 0.203 0.000 1.060 452 V CA 1.549 63.880 62.300 0.051 0.000 1.042 452 V CB -0.850 30.967 31.823 -0.010 0.000 0.650 452 V HN 1.108 nan 8.190 nan 0.000 0.450 453 S N -0.224 115.585 115.700 0.181 0.000 3.245 453 S HA -0.144 4.326 4.470 -0.000 0.000 0.306 453 S C -0.968 173.728 174.600 0.159 0.000 0.878 453 S CA 0.694 59.059 58.200 0.276 0.000 1.354 453 S CB -1.489 62.090 63.200 0.631 0.000 0.969 453 S HN 0.644 nan 8.310 nan 0.000 0.493 454 P HA 0.052 nan 4.420 nan 0.000 0.231 454 P C -0.005 177.004 177.300 -0.484 0.000 1.168 454 P CA 0.729 63.633 63.100 -0.326 0.000 0.779 454 P CB -0.082 31.359 31.700 -0.432 0.000 0.844 455 Y N -0.073 120.208 120.300 -0.031 0.000 2.350 455 Y HA 0.363 4.913 4.550 -0.000 0.000 0.340 455 Y C 2.099 177.948 175.900 -0.086 0.000 1.006 455 Y CA -0.785 57.277 58.100 -0.062 0.000 1.166 455 Y CB 0.943 39.395 38.460 -0.013 0.000 1.168 455 Y HN -0.266 nan 8.280 nan 0.000 0.502 456 R N 1.076 121.578 120.500 0.003 0.000 2.092 456 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 456 R C 2.108 178.381 176.300 -0.045 0.000 1.119 456 R CA 1.625 57.687 56.100 -0.063 0.000 0.970 456 R CB -0.023 30.217 30.300 -0.100 0.000 0.864 456 R HN 0.851 nan 8.270 nan 0.000 0.440 457 S N -0.086 115.604 115.700 -0.016 0.000 2.382 457 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 457 S C 2.121 176.690 174.600 -0.052 0.000 1.027 457 S CA 0.933 59.110 58.200 -0.039 0.000 0.991 457 S CB -0.216 62.964 63.200 -0.034 0.000 0.823 457 S HN 0.408 nan 8.310 nan 0.000 0.469 458 A N 2.418 125.234 122.820 -0.007 0.000 1.898 458 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 458 A C 2.408 179.919 177.584 -0.122 0.000 1.181 458 A CA 1.044 53.072 52.037 -0.016 0.000 0.620 458 A CB -0.527 18.531 19.000 0.098 0.000 0.819 458 A HN 0.542 nan 8.150 nan 0.000 0.442 459 R N -0.203 120.211 120.500 -0.143 0.000 2.092 459 R HA -0.097 4.243 4.340 -0.000 0.000 0.231 459 R C 1.678 177.725 176.300 -0.422 0.000 1.119 459 R CA 1.376 57.271 56.100 -0.342 0.000 0.970 459 R CB -0.382 29.800 30.300 -0.197 0.000 0.864 459 R HN 0.492 nan 8.270 nan 0.000 0.440 460 N N 1.078 119.622 118.700 -0.260 0.000 2.166 460 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 460 N C 1.744 177.087 175.510 -0.277 0.000 1.019 460 N CA 1.165 54.066 53.050 -0.249 0.000 0.856 460 N CB -0.197 38.205 38.487 -0.142 0.000 0.993 460 N HN 0.357 nan 8.380 nan 0.000 0.426 461 Q N 0.248 119.913 119.800 -0.225 0.000 2.124 461 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 461 Q C 2.016 177.857 176.000 -0.264 0.000 0.977 461 Q CA 1.023 56.712 55.803 -0.189 0.000 0.850 461 Q CB -0.013 28.654 28.738 -0.119 0.000 0.901 461 Q HN 0.183 nan 8.270 nan 0.000 0.429 462 V N 0.862 120.536 119.914 -0.401 0.000 2.295 462 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 462 V C 2.364 177.994 176.094 -0.773 0.000 1.049 462 V CA 1.960 63.944 62.300 -0.527 0.000 1.024 462 V CB -0.655 30.742 31.823 -0.709 0.000 0.648 462 V HN 0.342 nan 8.190 nan 0.000 0.447 463 R N 0.685 120.466 120.500 -1.198 0.000 2.113 463 R HA -0.244 4.096 4.340 -0.000 0.000 0.244 463 R C 2.039 178.083 176.300 -0.427 0.000 1.142 463 R CA 2.333 57.785 56.100 -1.079 0.000 0.953 463 R CB -0.367 29.483 30.300 -0.750 0.000 0.860 463 R HN 0.530 nan 8.270 nan 0.000 0.438 464 N N 0.227 118.747 118.700 -0.301 0.000 2.520 464 N HA -0.118 4.622 4.740 -0.000 0.000 0.185 464 N C 1.359 176.807 175.510 -0.104 0.000 1.068 464 N CA 1.111 54.069 53.050 -0.152 0.000 0.911 464 N CB -0.076 38.342 38.487 -0.115 0.000 0.961 464 N HN 0.419 nan 8.380 nan 0.000 0.446 465 M N -0.804 118.717 119.600 -0.132 0.000 2.562 465 M HA 0.091 4.571 4.480 -0.000 0.000 0.257 465 M C 0.264 176.547 176.300 -0.029 0.000 1.099 465 M CA 0.754 56.021 55.300 -0.055 0.000 1.099 465 M CB 0.067 32.644 32.600 -0.039 0.000 1.427 465 M HN 0.025 nan 8.290 nan 0.000 0.489 466 M N -0.614 118.963 119.600 -0.038 0.000 2.662 466 M HA 0.297 4.777 4.480 -0.000 0.000 0.310 466 M C -0.352 175.975 176.300 0.045 0.000 1.204 466 M CA -0.700 54.614 55.300 0.024 0.000 0.891 466 M CB 2.284 34.931 32.600 0.079 0.000 1.732 466 M HN -0.090 nan 8.290 nan 0.000 0.467 467 E N 1.229 121.474 120.200 0.075 0.000 2.437 467 E HA 0.002 4.352 4.350 -0.000 0.000 0.263 467 E C -0.636 176.034 176.600 0.116 0.000 1.030 467 E CA 0.228 56.682 56.400 0.091 0.000 0.934 467 E CB 0.450 30.215 29.700 0.109 0.000 0.943 467 E HN 0.428 nan 8.360 nan 0.000 0.444 468 E N 0.235 120.495 120.200 0.101 0.000 2.534 468 E HA -0.087 4.263 4.350 -0.000 0.000 0.264 468 E C 0.895 177.593 176.600 0.164 0.000 0.981 468 E CA 1.087 57.555 56.400 0.115 0.000 0.948 468 E CB 0.243 29.994 29.700 0.084 0.000 0.934 468 E HN 0.777 nan 8.360 nan 0.000 0.459 469 G N 3.187 112.108 108.800 0.202 0.000 2.179 469 G HA2 -0.341 3.618 3.960 -0.000 0.000 0.260 469 G HA3 -0.341 3.618 3.960 -0.000 0.000 0.260 469 G C 0.766 175.906 174.900 0.400 0.000 0.977 469 G CA 0.634 45.900 45.100 0.276 0.000 0.641 469 G HN 0.565 nan 8.290 nan 0.000 0.533 470 K N -1.019 119.573 120.400 0.320 0.000 2.355 470 K HA 0.316 4.636 4.320 -0.000 0.000 0.198 470 K C -0.077 176.675 176.600 0.253 0.000 1.039 470 K CA -0.322 56.129 56.287 0.273 0.000 1.075 470 K CB 0.586 33.233 32.500 0.245 0.000 0.870 470 K HN 0.306 nan 8.250 nan 0.000 0.540 471 F N 1.754 121.768 119.950 0.107 0.000 2.332 471 F HA 0.343 4.869 4.527 -0.000 0.000 0.368 471 F C -0.609 175.245 175.800 0.089 0.000 1.110 471 F CA -1.219 56.832 58.000 0.085 0.000 1.087 471 F CB 0.474 39.492 39.000 0.030 0.000 1.235 471 F HN -0.207 nan 8.300 nan 0.000 0.470 472 I N 5.431 125.846 120.570 -0.259 0.000 2.282 472 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 472 I C 0.037 175.890 176.117 -0.440 0.000 1.090 472 I CA -0.068 61.078 61.300 -0.256 0.000 1.231 472 I CB 0.715 38.631 38.000 -0.140 0.000 1.434 472 I HN 0.529 nan 8.210 nan 0.000 0.487 473 E N 5.732 125.690 120.200 -0.404 0.000 2.223 473 E HA 0.361 4.711 4.350 -0.000 0.000 0.282 473 E C -1.166 175.381 176.600 -0.089 0.000 1.046 473 E CA -0.361 55.894 56.400 -0.242 0.000 0.857 473 E CB 0.842 30.535 29.700 -0.011 0.000 1.055 473 E HN 0.334 nan 8.360 nan 0.000 0.409 474 V N 6.325 126.242 119.914 0.005 0.000 2.378 474 V HA 0.194 4.314 4.120 -0.000 0.000 0.288 474 V C -0.502 175.706 176.094 0.190 0.000 1.016 474 V CA -0.812 61.509 62.300 0.036 0.000 0.840 474 V CB 0.927 32.738 31.823 -0.021 0.000 0.994 474 V HN 0.600 nan 8.190 nan 0.000 0.431 475 F N 6.472 126.434 119.950 0.020 0.000 2.404 475 F HA 0.440 4.966 4.527 -0.000 0.000 0.359 475 F C 0.201 176.009 175.800 0.013 0.000 1.134 475 F CA -0.999 57.035 58.000 0.058 0.000 1.160 475 F CB 0.993 40.035 39.000 0.070 0.000 1.186 475 F HN 0.270 nan 8.300 nan 0.000 0.526 476 V N 6.155 126.089 119.914 0.033 0.000 2.313 476 V HA 0.061 4.181 4.120 -0.000 0.000 0.252 476 V C -0.173 175.658 176.094 -0.437 0.000 1.112 476 V CA -0.555 61.632 62.300 -0.188 0.000 0.984 476 V CB 0.263 32.030 31.823 -0.092 0.000 1.157 476 V HN 0.562 nan 8.190 nan 0.000 0.493 477 D N 4.302 124.261 120.400 -0.735 0.000 2.347 477 D HA 0.594 5.233 4.640 -0.000 0.000 0.235 477 D C 0.026 176.094 176.300 -0.386 0.000 1.149 477 D CA 0.228 53.711 54.000 -0.861 0.000 0.850 477 D CB 1.241 41.377 40.800 -1.107 0.000 1.061 477 D HN 0.678 nan 8.370 nan 0.000 0.487 478 A N 4.260 126.921 122.820 -0.265 0.000 2.469 478 A HA 0.794 5.114 4.320 -0.000 0.000 0.299 478 A C -2.558 174.961 177.584 -0.109 0.000 1.098 478 A CA -1.277 50.661 52.037 -0.164 0.000 0.737 478 A CB 1.334 20.244 19.000 -0.150 0.000 1.312 478 A HN 0.499 nan 8.150 nan 0.000 0.414 479 P HA 0.264 nan 4.420 nan 0.000 0.274 479 P C 1.258 178.539 177.300 -0.032 0.000 1.256 479 P CA 0.078 63.157 63.100 -0.035 0.000 0.795 479 P CB 0.510 32.194 31.700 -0.027 0.000 1.038 480 V N -1.422 118.498 119.914 0.010 0.000 2.343 480 V HA -0.158 3.962 4.120 -0.000 0.000 0.247 480 V C 1.543 177.651 176.094 0.024 0.000 1.051 480 V CA 1.615 63.941 62.300 0.044 0.000 1.036 480 V CB -1.527 30.349 31.823 0.089 0.000 0.654 480 V HN 0.463 nan 8.190 nan 0.000 0.451 481 E N 0.017 120.222 120.200 0.007 0.000 2.359 481 E HA 0.174 4.524 4.350 -0.000 0.000 0.187 481 E C 1.704 178.216 176.600 -0.147 0.000 1.081 481 E CA 0.165 56.551 56.400 -0.023 0.000 0.929 481 E CB 0.897 30.630 29.700 0.055 0.000 1.086 481 E HN 0.489 nan 8.360 nan 0.000 0.462 482 V N 0.027 119.841 119.914 -0.166 0.000 2.970 482 V HA -0.213 3.907 4.120 -0.000 0.000 0.260 482 V C 1.879 177.827 176.094 -0.243 0.000 1.100 482 V CA 1.180 63.381 62.300 -0.165 0.000 1.122 482 V CB -0.295 31.452 31.823 -0.127 0.000 0.721 482 V HN 0.507 nan 8.190 nan 0.000 0.483 483 C N -0.267 118.764 119.300 -0.448 0.000 2.419 483 C HA -0.078 4.382 4.460 -0.000 0.000 0.283 483 C C 2.468 177.203 174.990 -0.426 0.000 1.373 483 C CA 0.307 58.990 59.018 -0.558 0.000 1.781 483 C CB -1.066 26.011 27.740 -1.105 0.000 1.886 483 C HN 0.601 nan 8.230 nan 0.000 0.520 484 E N 1.055 121.045 120.200 -0.350 0.000 2.086 484 E HA -0.219 4.130 4.350 -0.000 0.000 0.200 484 E C 2.277 178.845 176.600 -0.054 0.000 1.012 484 E CA 2.459 58.807 56.400 -0.087 0.000 0.812 484 E CB -0.233 29.454 29.700 -0.021 0.000 0.743 484 E HN 0.864 nan 8.360 nan 0.000 0.453 485 E N 0.704 120.859 120.200 -0.073 0.000 2.472 485 E HA 0.053 4.402 4.350 -0.000 0.000 0.196 485 E C 1.792 178.362 176.600 -0.050 0.000 1.033 485 E CA 0.140 56.511 56.400 -0.047 0.000 0.886 485 E CB -0.006 29.668 29.700 -0.043 0.000 0.944 485 E HN 0.138 nan 8.360 nan 0.000 0.492 486 R N -0.153 120.303 120.500 -0.074 0.000 2.257 486 R HA 0.106 4.446 4.340 -0.000 0.000 0.195 486 R C 0.640 176.912 176.300 -0.046 0.000 0.921 486 R CA 0.131 56.193 56.100 -0.063 0.000 1.069 486 R CB 0.349 30.600 30.300 -0.082 0.000 1.115 486 R HN 0.335 nan 8.270 nan 0.000 0.571 487 D N 1.116 121.486 120.400 -0.049 0.000 2.458 487 D HA -0.012 4.627 4.640 -0.000 0.000 0.243 487 D C 0.678 176.988 176.300 0.017 0.000 1.146 487 D CA 0.288 54.287 54.000 -0.002 0.000 0.877 487 D CB 1.685 42.506 40.800 0.034 0.000 1.176 487 D HN -0.154 nan 8.370 nan 0.000 0.461 488 V N 3.495 123.422 119.914 0.023 0.000 3.307 488 V HA 0.005 4.125 4.120 -0.000 0.000 0.244 488 V C 2.638 178.753 176.094 0.034 0.000 1.196 488 V CA 1.099 63.412 62.300 0.022 0.000 1.132 488 V CB -0.424 31.406 31.823 0.011 0.000 0.875 488 V HN 0.659 nan 8.190 nan 0.000 0.468 489 K N 0.630 121.057 120.400 0.046 0.000 2.097 489 K HA 0.177 4.497 4.320 -0.000 0.000 0.205 489 K C 1.872 178.510 176.600 0.064 0.000 1.050 489 K CA 2.011 58.330 56.287 0.054 0.000 0.938 489 K CB -0.938 31.599 32.500 0.063 0.000 0.718 489 K HN 1.261 nan 8.250 nan 0.000 0.442 490 G N -1.143 107.706 108.800 0.082 0.000 2.184 490 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.206 490 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.206 490 G C 0.964 175.916 174.900 0.087 0.000 0.995 490 G CA 0.267 45.412 45.100 0.075 0.000 0.651 490 G HN 0.277 nan 8.290 nan 0.000 0.511 491 L N -0.290 121.020 121.223 0.144 0.000 2.109 491 L HA 0.135 4.475 4.340 -0.000 0.000 0.207 491 L C 2.280 179.202 176.870 0.087 0.000 1.086 491 L CA 2.016 56.961 54.840 0.176 0.000 0.760 491 L CB -1.961 40.280 42.059 0.304 0.000 0.910 491 L HN 0.387 nan 8.230 nan 0.000 0.437 492 Y N 1.887 122.157 120.300 -0.049 0.000 2.224 492 Y HA -0.258 4.292 4.550 -0.000 0.000 0.289 492 Y C 2.647 178.371 175.900 -0.294 0.000 1.146 492 Y CA 2.704 60.567 58.100 -0.395 0.000 1.182 492 Y CB -0.204 38.149 38.460 -0.178 0.000 0.983 492 Y HN 0.170 nan 8.280 nan 0.000 0.524 493 K N 0.450 120.791 120.400 -0.099 0.000 2.103 493 K HA -0.011 4.309 4.320 -0.000 0.000 0.204 493 K C 2.166 178.666 176.600 -0.167 0.000 1.052 493 K CA 1.834 58.038 56.287 -0.139 0.000 0.945 493 K CB -1.423 31.067 32.500 -0.017 0.000 0.722 493 K HN 0.485 nan 8.250 nan 0.000 0.443 494 K N 0.341 120.670 120.400 -0.118 0.000 2.155 494 K HA 0.551 4.871 4.320 -0.000 0.000 0.203 494 K C 1.686 178.202 176.600 -0.139 0.000 1.052 494 K CA 1.123 57.355 56.287 -0.092 0.000 0.948 494 K CB -0.620 31.862 32.500 -0.029 0.000 0.728 494 K HN 0.868 nan 8.250 nan 0.000 0.448 503 F N 3.612 123.466 119.950 -0.161 0.000 2.504 503 F HA 0.460 4.987 4.527 -0.000 0.000 0.369 503 F C 0.716 176.487 175.800 -0.048 0.000 1.082 503 F CA 0.237 58.156 58.000 -0.134 0.000 1.216 503 F CB 0.988 39.934 39.000 -0.090 0.000 1.108 503 F HN -0.061 nan 8.300 nan 0.000 0.554 504 T N 5.333 119.778 114.554 -0.182 0.000 2.752 504 T HA 0.416 4.766 4.350 -0.000 0.000 0.295 504 T C 0.899 175.691 174.700 0.154 0.000 0.923 504 T CA 0.599 62.689 62.100 -0.017 0.000 1.112 504 T CB 0.639 69.451 68.868 -0.093 0.000 0.884 504 T HN 1.028 nan 8.240 nan 0.000 0.525 505 G N 2.235 111.157 108.800 0.203 0.000 2.259 505 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.217 505 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.217 505 G C 0.718 175.752 174.900 0.223 0.000 1.001 505 G CA 0.171 45.401 45.100 0.216 0.000 0.627 505 G HN 0.605 nan 8.290 nan 0.000 0.501 506 V N 0.040 120.120 119.914 0.277 0.000 2.743 506 V HA 0.256 4.376 4.120 -0.000 0.000 0.237 506 V C 1.874 178.024 176.094 0.093 0.000 1.113 506 V CA 2.341 64.724 62.300 0.139 0.000 1.141 506 V CB 0.623 32.439 31.823 -0.010 0.000 0.873 506 V HN 0.358 nan 8.190 nan 0.000 0.486 507 D N -0.913 119.567 120.400 0.133 0.000 2.566 507 D HA 0.007 4.647 4.640 -0.000 0.000 0.253 507 D C 0.593 176.950 176.300 0.095 0.000 0.992 507 D CA 0.388 54.441 54.000 0.088 0.000 0.940 507 D CB 0.500 41.349 40.800 0.082 0.000 1.095 507 D HN 0.285 nan 8.370 nan 0.000 0.480 508 D N -0.081 120.387 120.400 0.113 0.000 2.391 508 D HA 0.282 4.922 4.640 -0.000 0.000 0.245 508 D C -2.589 173.780 176.300 0.116 0.000 1.069 508 D CA -1.970 52.100 54.000 0.116 0.000 0.831 508 D CB 2.068 42.946 40.800 0.130 0.000 1.204 508 D HN -0.010 nan 8.370 nan 0.000 0.503 509 P HA 0.124 nan 4.420 nan 0.000 0.274 509 P C -1.004 176.363 177.300 0.112 0.000 1.231 509 P CA -0.260 62.913 63.100 0.121 0.000 0.790 509 P CB 0.398 32.158 31.700 0.101 0.000 0.951 510 Y N 1.191 121.496 120.300 0.008 0.000 2.308 510 Y HA 0.259 4.809 4.550 -0.000 0.000 0.329 510 Y C 0.071 175.962 175.900 -0.016 0.000 1.111 510 Y CA -0.293 57.791 58.100 -0.026 0.000 1.179 510 Y CB 1.027 39.490 38.460 0.005 0.000 1.201 510 Y HN 0.347 nan 8.280 nan 0.000 0.483 511 E N 8.565 128.342 120.200 -0.704 0.000 2.063 511 E HA 0.280 4.629 4.350 -0.000 0.000 0.265 511 E C -2.549 173.572 176.600 -0.799 0.000 0.919 511 E CA -2.207 53.885 56.400 -0.513 0.000 0.756 511 E CB 0.803 30.338 29.700 -0.275 0.000 1.120 511 E HN 0.456 nan 8.360 nan 0.000 0.414 512 P HA 0.105 nan 4.420 nan 0.000 0.274 512 P C -2.498 174.527 177.300 -0.459 0.000 1.231 512 P CA -1.534 61.223 63.100 -0.572 0.000 0.790 512 P CB -0.055 31.345 31.700 -0.500 0.000 0.951 513 P HA -0.012 nan 4.420 nan 0.000 0.268 513 P C 0.755 177.952 177.300 -0.173 0.000 1.205 513 P CA 0.103 63.066 63.100 -0.229 0.000 0.771 513 P CB 0.587 32.212 31.700 -0.125 0.000 0.858 514 V N 2.039 121.895 119.914 -0.097 0.000 2.379 514 V HA -0.068 4.052 4.120 -0.000 0.000 0.245 514 V C 1.390 177.473 176.094 -0.019 0.000 1.044 514 V CA 2.345 64.613 62.300 -0.053 0.000 1.036 514 V CB -0.965 30.835 31.823 -0.038 0.000 0.664 514 V HN 0.776 nan 8.190 nan 0.000 0.453 515 A N 1.002 123.818 122.820 -0.007 0.000 3.127 515 A HA 0.606 4.926 4.320 -0.000 0.000 0.319 515 A C -2.671 174.928 177.584 0.027 0.000 1.104 515 A CA -0.946 51.102 52.037 0.019 0.000 0.802 515 A CB 0.211 19.227 19.000 0.026 0.000 1.193 515 A HN 0.290 nan 8.150 nan 0.000 0.479 516 P HA 0.298 nan 4.420 nan 0.000 0.274 516 P C 0.319 177.599 177.300 -0.034 0.000 1.231 516 P CA 0.003 63.115 63.100 0.021 0.000 0.790 516 P CB 1.280 33.026 31.700 0.076 0.000 0.951 517 E N 0.316 120.440 120.200 -0.127 0.000 2.077 517 E HA -0.046 4.303 4.350 -0.000 0.000 0.193 517 E C 0.318 176.646 176.600 -0.454 0.000 0.989 517 E CA 1.276 57.479 56.400 -0.328 0.000 0.800 517 E CB -0.180 29.171 29.700 -0.583 0.000 0.746 517 E HN 0.277 nan 8.360 nan 0.000 0.452 518 V N -0.081 119.629 119.914 -0.340 0.000 2.789 518 V HA 0.479 4.599 4.120 -0.000 0.000 0.311 518 V C -0.499 175.564 176.094 -0.052 0.000 1.073 518 V CA -1.093 61.071 62.300 -0.227 0.000 0.921 518 V CB 2.276 33.934 31.823 -0.275 0.000 1.009 518 V HN -0.023 nan 8.190 nan 0.000 0.426 519 R N 2.248 122.741 120.500 -0.012 0.000 2.575 519 R HA 0.818 5.157 4.340 -0.000 0.000 0.293 519 R C -2.269 174.003 176.300 -0.046 0.000 0.983 519 R CA -0.423 55.689 56.100 0.021 0.000 0.887 519 R CB 2.271 32.626 30.300 0.091 0.000 1.184 519 R HN 0.561 nan 8.270 nan 0.000 0.445 520 V N 4.166 124.015 119.914 -0.109 0.000 2.443 520 V HA 0.154 4.274 4.120 -0.000 0.000 0.293 520 V C -0.647 175.329 176.094 -0.198 0.000 1.021 520 V CA -0.814 61.413 62.300 -0.121 0.000 0.848 520 V CB 1.587 33.353 31.823 -0.095 0.000 0.998 520 V HN 0.726 nan 8.190 nan 0.000 0.424 521 D N 3.567 123.873 120.400 -0.157 0.000 2.339 521 D HA 0.099 4.739 4.640 -0.000 0.000 0.256 521 D C 1.296 177.519 176.300 -0.128 0.000 1.214 521 D CA 0.183 54.085 54.000 -0.164 0.000 0.877 521 D CB 1.886 42.621 40.800 -0.109 0.000 1.111 521 D HN 0.703 nan 8.370 nan 0.000 0.478 522 T N -0.714 113.754 114.554 -0.144 0.000 3.100 522 T HA -0.078 4.272 4.350 -0.000 0.000 0.253 522 T C 1.539 176.187 174.700 -0.087 0.000 1.118 522 T CA 0.726 62.760 62.100 -0.110 0.000 1.058 522 T CB -0.222 68.575 68.868 -0.120 0.000 0.953 522 T HN 0.371 nan 8.240 nan 0.000 0.515 523 T N -0.603 113.900 114.554 -0.084 0.000 3.113 523 T HA 0.234 4.583 4.350 -0.000 0.000 0.256 523 T C 1.562 176.232 174.700 -0.050 0.000 1.131 523 T CA 0.180 62.242 62.100 -0.064 0.000 1.074 523 T CB -0.140 68.693 68.868 -0.059 0.000 0.944 523 T HN 0.459 nan 8.240 nan 0.000 0.516 524 K N -0.025 120.344 120.400 -0.052 0.000 2.403 524 K HA 0.384 4.704 4.320 -0.000 0.000 0.199 524 K C 0.294 176.871 176.600 -0.037 0.000 1.199 524 K CA -0.022 56.242 56.287 -0.040 0.000 0.924 524 K CB 0.555 33.033 32.500 -0.037 0.000 1.137 524 K HN 0.264 nan 8.250 nan 0.000 0.510 525 L N 3.029 124.225 121.223 -0.045 0.000 2.307 525 L HA 0.205 4.545 4.340 -0.000 0.000 0.282 525 L C 0.586 177.431 176.870 -0.040 0.000 1.051 525 L CA -0.719 54.098 54.840 -0.039 0.000 0.804 525 L CB 1.364 43.397 42.059 -0.043 0.000 1.197 525 L HN 0.215 nan 8.230 nan 0.000 0.431 526 T N -0.565 113.970 114.554 -0.031 0.000 2.860 526 T HA 0.155 4.505 4.350 -0.000 0.000 0.299 526 T C -1.849 172.832 174.700 -0.032 0.000 1.045 526 T CA -1.428 60.653 62.100 -0.030 0.000 1.071 526 T CB 0.987 69.842 68.868 -0.022 0.000 0.985 526 T HN 0.358 nan 8.240 nan 0.000 0.537 527 P HA -0.106 nan 4.420 nan 0.000 0.216 527 P C 1.431 178.717 177.300 -0.024 0.000 1.150 527 P CA 1.083 64.163 63.100 -0.033 0.000 0.843 527 P CB 0.072 31.752 31.700 -0.032 0.000 0.787 528 E N 0.179 120.368 120.200 -0.018 0.000 2.072 528 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 528 E C 1.795 178.390 176.600 -0.008 0.000 0.985 528 E CA 1.093 57.487 56.400 -0.010 0.000 0.801 528 E CB -0.214 29.481 29.700 -0.008 0.000 0.750 528 E HN 0.264 nan 8.360 nan 0.000 0.452 529 E N -0.033 120.160 120.200 -0.011 0.000 2.106 529 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 529 E C 2.207 178.800 176.600 -0.011 0.000 0.984 529 E CA 1.142 57.536 56.400 -0.009 0.000 0.806 529 E CB 0.087 29.779 29.700 -0.013 0.000 0.750 529 E HN 0.134 nan 8.360 nan 0.000 0.458 530 S N 0.739 116.426 115.700 -0.021 0.000 2.356 530 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 530 S C 2.128 176.720 174.600 -0.013 0.000 1.032 530 S CA 1.044 59.229 58.200 -0.026 0.000 1.005 530 S CB -0.190 62.985 63.200 -0.042 0.000 0.867 530 S HN 0.389 nan 8.310 nan 0.000 0.449 531 A N 1.167 123.982 122.820 -0.008 0.000 1.930 531 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 531 A C 2.061 179.656 177.584 0.020 0.000 1.175 531 A CA 1.057 53.097 52.037 0.005 0.000 0.627 531 A CB -0.647 18.356 19.000 0.004 0.000 0.815 531 A HN 0.368 nan 8.150 nan 0.000 0.443 532 L N 0.045 121.277 121.223 0.016 0.000 2.083 532 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 532 L C 2.376 179.266 176.870 0.034 0.000 1.083 532 L CA 2.391 57.245 54.840 0.024 0.000 0.752 532 L CB -0.597 41.471 42.059 0.016 0.000 0.899 532 L HN 0.545 nan 8.230 nan 0.000 0.433 533 K N -0.471 119.945 120.400 0.027 0.000 2.097 533 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 533 K C 2.076 178.715 176.600 0.065 0.000 1.050 533 K CA 1.407 57.717 56.287 0.039 0.000 0.938 533 K CB -0.135 32.376 32.500 0.018 0.000 0.718 533 K HN 0.313 nan 8.250 nan 0.000 0.442 534 I N 0.824 121.422 120.570 0.048 0.000 2.252 534 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 534 I C 2.194 178.382 176.117 0.119 0.000 1.102 534 I CA 0.455 61.794 61.300 0.066 0.000 1.385 534 I CB -0.211 37.806 38.000 0.030 0.000 1.064 534 I HN 0.176 nan 8.210 nan 0.000 0.414 535 L N 0.994 122.270 121.223 0.088 0.000 2.042 535 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 535 L C 2.418 179.340 176.870 0.086 0.000 1.076 535 L CA 1.929 56.821 54.840 0.085 0.000 0.749 535 L CB -0.620 41.477 42.059 0.064 0.000 0.893 535 L HN 0.216 nan 8.230 nan 0.000 0.432 536 E N -1.510 118.742 120.200 0.086 0.000 2.085 536 E HA -0.294 4.056 4.350 -0.000 0.000 0.194 536 E C 2.083 178.737 176.600 0.090 0.000 0.994 536 E CA 1.652 58.096 56.400 0.073 0.000 0.801 536 E CB -0.353 29.389 29.700 0.070 0.000 0.743 536 E HN 0.543 nan 8.360 nan 0.000 0.453 537 F N 1.238 121.186 119.950 -0.003 0.000 2.146 537 F HA -0.126 4.400 4.527 -0.000 0.000 0.298 537 F C 1.898 177.696 175.800 -0.003 0.000 1.096 537 F CA 1.110 59.109 58.000 -0.003 0.000 1.275 537 F CB -0.019 38.981 39.000 -0.001 0.000 1.008 537 F HN -0.098 nan 8.300 nan 0.000 0.480 538 L N 0.245 121.542 121.223 0.123 0.000 2.131 538 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 538 L C 2.401 179.239 176.870 -0.053 0.000 1.092 538 L CA 1.309 56.153 54.840 0.007 0.000 0.759 538 L CB -0.621 41.424 42.059 -0.023 0.000 0.903 538 L HN 0.107 nan 8.230 nan 0.000 0.435 539 K N 0.082 120.458 120.400 -0.039 0.000 2.062 539 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 539 K C 2.131 178.660 176.600 -0.118 0.000 1.051 539 K CA 1.038 57.295 56.287 -0.049 0.000 0.941 539 K CB -0.022 32.467 32.500 -0.019 0.000 0.719 539 K HN 0.236 nan 8.250 nan 0.000 0.440 540 K N 0.784 121.083 120.400 -0.170 0.000 2.097 540 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 540 K C 1.796 178.218 176.600 -0.297 0.000 1.049 540 K CA 1.077 57.235 56.287 -0.215 0.000 0.933 540 K CB 0.109 32.473 32.500 -0.227 0.000 0.717 540 K HN 0.110 nan 8.250 nan 0.000 0.442 541 E N -0.798 119.147 120.200 -0.425 0.000 2.371 541 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 541 E C 1.204 177.532 176.600 -0.454 0.000 1.012 541 E CA 0.794 56.911 56.400 -0.472 0.000 0.860 541 E CB 0.448 29.813 29.700 -0.558 0.000 0.811 541 E HN 0.519 nan 8.360 nan 0.000 0.502 542 G N 0.656 109.273 108.800 -0.306 0.000 2.141 542 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 542 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 542 G C 0.768 175.572 174.900 -0.160 0.000 0.982 542 G CA 0.257 45.228 45.100 -0.214 0.000 0.662 542 G HN 0.324 nan 8.290 nan 0.000 0.527 543 F N -0.357 119.538 119.950 -0.092 0.000 2.293 543 F HA 0.318 4.844 4.527 -0.000 0.000 0.300 543 F C 1.381 177.235 175.800 0.091 0.000 1.086 543 F CA 0.632 58.606 58.000 -0.044 0.000 1.375 543 F CB 0.182 38.935 39.000 -0.411 0.000 1.045 543 F HN 0.174 nan 8.300 nan 0.000 0.516 544 I N -0.113 120.579 120.570 0.203 0.000 2.447 544 I HA 0.142 4.312 4.170 -0.000 0.000 0.287 544 I C 0.246 176.418 176.117 0.093 0.000 1.023 544 I CA -0.456 60.954 61.300 0.182 0.000 1.083 544 I CB 1.741 39.832 38.000 0.153 0.000 1.245 544 I HN -0.238 nan 8.210 nan 0.000 0.434 545 K N 4.754 125.203 120.400 0.082 0.000 2.811 545 K HA 0.201 4.521 4.320 -0.000 0.000 0.217 545 K C -0.636 175.954 176.600 -0.016 0.000 1.115 545 K CA -0.203 56.063 56.287 -0.035 0.000 1.179 545 K CB -0.145 32.218 32.500 -0.230 0.000 0.994 545 K HN 0.675 nan 8.250 nan 0.000 0.464 546 D N 0.000 120.415 120.400 0.025 0.000 6.856 546 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 546 D CA 0.000 54.020 54.000 0.033 0.000 0.868 546 D CB 0.000 40.807 40.800 0.012 0.000 0.688 546 D HN 0.000 nan 8.370 nan 0.000 0.683