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 2g50_1_H DATA FIRST_RESID 11 DATA SEQUENCE FIQTQQLHAA MADTFLEHKC RLDIDSAPIT ARNTGIICTI GPASRSVETL DATA SEQUENCE KEMIKSGMNV ARMNFSHGTH EYHAETIKNV RTATESFASD PILYRPVAVA DATA SEQUENCE LDTKGPEIRT GLIKGSGTAE VELKKGATLK ITLDNAYMEK CDENILWLDY DATA SEQUENCE KNICKVVDVG SKVYVDDGLI SLQVKQKGXD FLVTEVENGG FLGSKKGVNL DATA SEQUENCE PGAAVDLPAV SEKDIQDLKF GVEQDVDMVF ASFIRKAADV HEVRKILGEK DATA SEQUENCE GKNIKIISKI ENHEGVRRFD EILEASDGIM VARGDLGIEI PAEKVFLAQK DATA SEQUENCE MIIGRCNRAG KPVICATQML ESMIKKPRPT RAEGSDVANA VLDGADCIML DATA SEQUENCE SGETAKGDYP LEAVRMQHLI AREAEAAMFH RKLFEELARA SSQSTDLMEA DATA SEQUENCE MAMGSVEASY KCLAAALIVL TESGRSAHQV ARYRPRAPII AVTRNHQTAR DATA SEQUENCE QAHLYRGIFP VVCKDPVQEA WAEDVDLRVN LAMNVGKARG FFKKGDVVIV DATA SEQUENCE LTGWRPGSGF TNTMRVVPVP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.772 175.800 -0.046 0.000 0.967 11 F CA 0.000 57.980 58.000 -0.033 0.000 1.383 11 F CB 0.000 38.983 39.000 -0.028 0.000 1.145 12 I N 5.773 125.914 120.570 -0.715 0.000 2.362 12 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 12 I C -0.311 175.332 176.117 -0.791 0.000 0.994 12 I CA -0.651 60.330 61.300 -0.531 0.000 1.158 12 I CB 1.804 39.614 38.000 -0.317 0.000 1.315 12 I HN 0.538 nan 8.210 nan 0.000 0.451 13 Q N 4.252 123.834 119.800 -0.364 0.000 2.330 13 Q HA 0.117 4.457 4.340 -0.000 0.000 0.279 13 Q C 0.357 176.278 176.000 -0.132 0.000 1.024 13 Q CA -0.001 55.724 55.803 -0.131 0.000 0.900 13 Q CB 0.823 29.620 28.738 0.099 0.000 1.221 13 Q HN 0.698 nan 8.270 nan 0.000 0.396 14 T N -0.333 114.173 114.554 -0.079 0.000 2.766 14 T HA 0.019 4.369 4.350 -0.000 0.000 0.295 14 T C 0.505 175.205 174.700 -0.001 0.000 1.024 14 T CA -0.630 61.442 62.100 -0.047 0.000 1.018 14 T CB 0.977 69.841 68.868 -0.007 0.000 1.002 14 T HN 0.813 nan 8.240 nan 0.000 0.532 15 Q N 0.232 120.032 119.800 0.000 0.000 2.481 15 Q HA -0.257 4.083 4.340 -0.000 0.000 0.272 15 Q C -0.264 175.759 176.000 0.039 0.000 1.157 15 Q CA 0.679 56.496 55.803 0.023 0.000 0.935 15 Q CB -1.222 27.534 28.738 0.030 0.000 1.338 15 Q HN 0.803 nan 8.270 nan 0.000 0.494 16 Q N -2.314 117.495 119.800 0.015 0.000 2.435 16 Q HA -0.250 4.090 4.340 -0.000 0.000 0.286 16 Q C 0.575 176.599 176.000 0.040 0.000 1.229 16 Q CA 1.546 57.352 55.803 0.005 0.000 0.884 16 Q CB -1.889 26.843 28.738 -0.010 0.000 1.245 16 Q HN 0.714 nan 8.270 nan 0.000 0.488 17 L N -1.281 119.980 121.223 0.062 0.000 2.291 17 L HA -0.160 4.179 4.340 -0.000 0.000 0.214 17 L C 2.249 179.184 176.870 0.109 0.000 1.120 17 L CA 1.344 56.235 54.840 0.086 0.000 0.799 17 L CB -0.335 41.779 42.059 0.091 0.000 0.925 17 L HN 0.340 nan 8.230 nan 0.000 0.446 18 H N 0.400 119.467 119.070 -0.005 0.000 2.326 18 H HA -0.095 4.460 4.556 -0.000 0.000 0.301 18 H C 2.158 177.457 175.328 -0.050 0.000 1.081 18 H CA 1.488 57.526 56.048 -0.018 0.000 1.334 18 H CB 0.077 29.817 29.762 -0.036 0.000 1.385 18 H HN 0.225 nan 8.280 nan 0.000 0.504 19 A N 0.853 123.561 122.820 -0.187 0.000 1.972 19 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 19 A C 2.592 180.105 177.584 -0.118 0.000 1.169 19 A CA 1.604 53.425 52.037 -0.359 0.000 0.635 19 A CB -1.272 17.370 19.000 -0.596 0.000 0.810 19 A HN 0.615 nan 8.150 nan 0.000 0.446 20 A N -1.050 121.796 122.820 0.043 0.000 1.978 20 A HA -0.103 4.216 4.320 -0.000 0.000 0.220 20 A C 1.886 179.579 177.584 0.182 0.000 1.170 20 A CA 1.795 53.944 52.037 0.185 0.000 0.636 20 A CB -0.377 18.713 19.000 0.149 0.000 0.810 20 A HN 0.424 nan 8.150 nan 0.000 0.448 21 M N -0.307 119.330 119.600 0.062 0.000 2.494 21 M HA 0.274 4.754 4.480 -0.000 0.000 0.232 21 M C 0.966 177.299 176.300 0.054 0.000 1.137 21 M CA -0.195 55.144 55.300 0.065 0.000 1.012 21 M CB -1.448 31.173 32.600 0.036 0.000 1.567 21 M HN 0.379 nan 8.290 nan 0.000 0.486 22 A N 0.850 123.683 122.820 0.022 0.000 2.425 22 A HA 0.104 4.424 4.320 -0.000 0.000 0.242 22 A C 0.881 178.604 177.584 0.232 0.000 1.077 22 A CA 0.024 52.063 52.037 0.005 0.000 0.781 22 A CB 0.370 19.260 19.000 -0.183 0.000 1.020 22 A HN 0.300 nan 8.150 nan 0.000 0.494 23 D N -0.481 120.016 120.400 0.161 0.000 2.271 23 D HA 0.050 4.690 4.640 -0.000 0.000 0.206 23 D C 0.893 177.343 176.300 0.251 0.000 0.967 23 D CA 1.821 55.933 54.000 0.186 0.000 0.867 23 D CB 0.181 41.040 40.800 0.098 0.000 0.960 23 D HN 0.754 nan 8.370 nan 0.000 0.509 24 T N -3.128 111.575 114.554 0.248 0.000 2.916 24 T HA 0.267 4.616 4.350 -0.000 0.000 0.292 24 T C 0.643 175.567 174.700 0.373 0.000 1.064 24 T CA -0.842 61.428 62.100 0.283 0.000 1.011 24 T CB 1.492 70.454 68.868 0.156 0.000 1.152 24 T HN -0.178 nan 8.240 nan 0.000 0.510 25 F N 0.952 121.074 119.950 0.286 0.000 2.186 25 F HA 0.066 4.593 4.527 -0.000 0.000 0.299 25 F C 1.823 177.672 175.800 0.080 0.000 1.090 25 F CA 0.966 59.102 58.000 0.228 0.000 1.307 25 F CB -0.450 38.676 39.000 0.210 0.000 1.019 25 F HN 0.535 nan 8.300 nan 0.000 0.489 26 L N 0.749 121.981 121.223 0.016 0.000 2.017 26 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 26 L C 2.302 179.064 176.870 -0.180 0.000 1.073 26 L CA 2.323 57.098 54.840 -0.109 0.000 0.745 26 L CB -1.146 40.911 42.059 -0.003 0.000 0.894 26 L HN 0.209 nan 8.230 nan 0.000 0.432 27 E N -1.283 118.849 120.200 -0.113 0.000 2.110 27 E HA -0.298 4.052 4.350 -0.000 0.000 0.193 27 E C 2.218 178.657 176.600 -0.268 0.000 0.988 27 E CA 1.587 57.899 56.400 -0.147 0.000 0.804 27 E CB -0.312 29.339 29.700 -0.082 0.000 0.745 27 E HN 0.724 nan 8.360 nan 0.000 0.458 28 H N 0.267 119.048 119.070 -0.482 0.000 2.319 28 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 28 H C 1.833 176.830 175.328 -0.553 0.000 1.092 28 H CA 2.382 58.014 56.048 -0.694 0.000 1.302 28 H CB 0.108 29.146 29.762 -1.206 0.000 1.373 28 H HN 0.049 nan 8.280 nan 0.000 0.497 29 K N -0.630 119.410 120.400 -0.601 0.000 2.032 29 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 29 K C 2.468 178.859 176.600 -0.349 0.000 1.048 29 K CA 1.524 57.510 56.287 -0.502 0.000 0.927 29 K CB -0.342 31.870 32.500 -0.481 0.000 0.712 29 K HN 0.346 nan 8.250 nan 0.000 0.441 30 C N 0.458 119.589 119.300 -0.282 0.000 2.419 30 C HA -0.042 4.418 4.460 -0.000 0.000 0.283 30 C C 2.207 177.090 174.990 -0.178 0.000 1.373 30 C CA 0.576 59.481 59.018 -0.188 0.000 1.781 30 C CB -0.891 26.765 27.740 -0.139 0.000 1.886 30 C HN 0.369 nan 8.230 nan 0.000 0.520 31 R N -0.144 120.203 120.500 -0.254 0.000 2.300 31 R HA 0.218 4.558 4.340 -0.000 0.000 0.199 31 R C 0.204 176.385 176.300 -0.200 0.000 0.920 31 R CA -0.096 55.884 56.100 -0.199 0.000 1.046 31 R CB -0.032 30.074 30.300 -0.322 0.000 0.984 31 R HN 0.483 nan 8.270 nan 0.000 0.493 32 L N 1.883 122.941 121.223 -0.275 0.000 2.525 32 L HA -0.016 4.324 4.340 -0.000 0.000 0.278 32 L C -0.074 176.718 176.870 -0.131 0.000 1.218 32 L CA 0.423 55.127 54.840 -0.227 0.000 0.878 32 L CB 0.146 42.064 42.059 -0.235 0.000 1.127 32 L HN -0.040 nan 8.230 nan 0.000 0.492 33 D N 2.953 123.292 120.400 -0.102 0.000 2.620 33 D HA 0.215 4.855 4.640 -0.000 0.000 0.252 33 D C 0.661 176.920 176.300 -0.069 0.000 1.207 33 D CA -0.581 53.374 54.000 -0.075 0.000 0.884 33 D CB 1.418 42.180 40.800 -0.064 0.000 1.262 33 D HN 0.443 nan 8.370 nan 0.000 0.552 34 I N -0.090 120.443 120.570 -0.062 0.000 2.916 34 I HA 0.025 4.195 4.170 -0.000 0.000 0.267 34 I C 0.319 176.403 176.117 -0.055 0.000 1.263 34 I CA 0.804 62.072 61.300 -0.054 0.000 1.471 34 I CB 0.189 38.161 38.000 -0.047 0.000 1.089 34 I HN 0.045 nan 8.210 nan 0.000 0.468 35 D N 1.055 121.416 120.400 -0.064 0.000 2.340 35 D HA 0.084 4.724 4.640 -0.000 0.000 0.217 35 D C 0.586 176.830 176.300 -0.092 0.000 1.081 35 D CA 0.344 54.300 54.000 -0.074 0.000 0.842 35 D CB 0.511 41.264 40.800 -0.078 0.000 0.934 35 D HN 0.239 nan 8.370 nan 0.000 0.511 36 S N 0.837 116.487 115.700 -0.083 0.000 2.399 36 S HA 0.500 4.970 4.470 -0.000 0.000 0.301 36 S C 0.040 174.602 174.600 -0.063 0.000 1.093 36 S CA -0.668 57.480 58.200 -0.088 0.000 1.077 36 S CB 0.288 63.447 63.200 -0.070 0.000 0.980 36 S HN 0.178 nan 8.310 nan 0.000 0.494 37 A N 7.612 130.392 122.820 -0.066 0.000 2.440 37 A HA 0.531 4.850 4.320 -0.000 0.000 0.251 37 A C -2.003 175.567 177.584 -0.024 0.000 1.089 37 A CA -1.171 50.841 52.037 -0.041 0.000 0.779 37 A CB -0.141 18.836 19.000 -0.038 0.000 1.022 37 A HN 0.690 nan 8.150 nan 0.000 0.492 38 P HA 0.277 nan 4.420 nan 0.000 0.273 38 P C 0.065 177.362 177.300 -0.005 0.000 1.250 38 P CA -0.223 62.871 63.100 -0.011 0.000 0.793 38 P CB 0.383 32.071 31.700 -0.022 0.000 1.011 39 I N -2.764 117.802 120.570 -0.006 0.000 3.079 39 I HA 0.183 4.353 4.170 -0.000 0.000 0.295 39 I C 1.261 177.377 176.117 -0.001 0.000 1.094 39 I CA -0.465 60.833 61.300 -0.003 0.000 1.295 39 I CB -0.429 37.559 38.000 -0.021 0.000 1.443 39 I HN 0.154 nan 8.210 nan 0.000 0.607 40 T N 2.250 116.823 114.554 0.032 0.000 2.777 40 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 40 T C 1.068 175.811 174.700 0.072 0.000 1.040 40 T CA 1.271 63.426 62.100 0.092 0.000 1.141 40 T CB -0.311 68.661 68.868 0.172 0.000 0.868 40 T HN 0.767 nan 8.240 nan 0.000 0.444 41 A N 2.127 124.865 122.820 -0.137 0.000 2.511 41 A HA 0.392 4.712 4.320 -0.000 0.000 0.242 41 A C 0.598 178.095 177.584 -0.145 0.000 1.069 41 A CA -0.124 51.679 52.037 -0.390 0.000 0.763 41 A CB 0.141 18.590 19.000 -0.918 0.000 1.001 41 A HN 0.267 nan 8.150 nan 0.000 0.498 42 R N 2.474 122.956 120.500 -0.030 0.000 2.409 42 R HA 0.244 4.584 4.340 -0.000 0.000 0.313 42 R C -0.385 175.958 176.300 0.070 0.000 0.953 42 R CA -0.283 55.817 56.100 -0.000 0.000 0.849 42 R CB 0.657 30.951 30.300 -0.010 0.000 1.171 42 R HN 0.962 nan 8.270 nan 0.000 0.458 43 N N 0.730 119.460 118.700 0.050 0.000 2.395 43 N HA -0.011 4.729 4.740 -0.000 0.000 0.175 43 N C -0.357 175.223 175.510 0.117 0.000 1.029 43 N CA 0.480 53.587 53.050 0.095 0.000 0.897 43 N CB 0.405 38.944 38.487 0.087 0.000 0.991 43 N HN 0.427 nan 8.380 nan 0.000 0.441 44 T N 0.885 115.492 114.554 0.088 0.000 2.779 44 T HA 0.236 4.586 4.350 -0.000 0.000 0.296 44 T C 0.667 175.421 174.700 0.090 0.000 0.938 44 T CA -0.548 61.599 62.100 0.079 0.000 1.119 44 T CB 1.196 70.094 68.868 0.049 0.000 0.891 44 T HN 0.131 nan 8.240 nan 0.000 0.526 45 G N 2.795 111.649 108.800 0.091 0.000 2.432 45 G HA2 0.431 4.391 3.960 -0.000 0.000 0.239 45 G HA3 0.431 4.391 3.960 -0.000 0.000 0.239 45 G C -0.330 174.595 174.900 0.042 0.000 1.291 45 G CA -0.490 44.656 45.100 0.077 0.000 0.863 45 G HN 0.769 nan 8.290 nan 0.000 0.560 46 I N 2.095 122.674 120.570 0.016 0.000 2.355 46 I HA 0.295 4.465 4.170 -0.000 0.000 0.288 46 I C -0.188 175.934 176.117 0.007 0.000 0.999 46 I CA -0.434 60.877 61.300 0.019 0.000 1.163 46 I CB 1.659 39.678 38.000 0.032 0.000 1.316 46 I HN 0.221 nan 8.210 nan 0.000 0.454 47 I N 5.873 126.466 120.570 0.037 0.000 2.339 47 I HA 0.344 4.513 4.170 -0.000 0.000 0.290 47 I C -0.642 175.521 176.117 0.077 0.000 0.994 47 I CA -0.361 60.984 61.300 0.075 0.000 1.191 47 I CB 1.357 39.434 38.000 0.129 0.000 1.343 47 I HN 0.521 nan 8.210 nan 0.000 0.458 48 C N 4.010 123.355 119.300 0.075 0.000 2.345 48 C HA 0.415 4.875 4.460 -0.000 0.000 0.323 48 C C 0.585 175.632 174.990 0.095 0.000 1.276 48 C CA -0.623 58.439 59.018 0.073 0.000 1.543 48 C CB 1.123 28.893 27.740 0.051 0.000 2.211 48 C HN 0.671 nan 8.230 nan 0.000 0.493 49 T N 5.153 119.769 114.554 0.104 0.000 2.814 49 T HA 0.309 4.659 4.350 -0.000 0.000 0.297 49 T C 0.275 175.039 174.700 0.108 0.000 0.956 49 T CA -0.009 62.164 62.100 0.121 0.000 1.123 49 T CB 0.057 69.002 68.868 0.128 0.000 0.902 49 T HN 0.366 nan 8.240 nan 0.000 0.528 50 I N 3.074 123.715 120.570 0.120 0.000 2.385 50 I HA 0.666 4.835 4.170 -0.000 0.000 0.294 50 I C 0.914 177.110 176.117 0.132 0.000 0.988 50 I CA -0.188 61.175 61.300 0.105 0.000 1.265 50 I CB 0.808 38.862 38.000 0.091 0.000 1.388 50 I HN 0.811 nan 8.210 nan 0.000 0.480 51 G N 5.950 114.814 108.800 0.108 0.000 2.731 51 G HA2 0.450 4.410 3.960 -0.000 0.000 0.309 51 G HA3 0.450 4.410 3.960 -0.000 0.000 0.309 51 G C -2.639 172.322 174.900 0.101 0.000 1.273 51 G CA -0.394 44.785 45.100 0.133 0.000 0.798 51 G HN 0.261 nan 8.290 nan 0.000 0.509 52 P HA -0.057 nan 4.420 nan 0.000 0.217 52 P C 1.821 179.142 177.300 0.035 0.000 1.148 52 P CA 2.332 65.476 63.100 0.074 0.000 0.828 52 P CB 0.152 31.885 31.700 0.055 0.000 0.783 53 A N -0.792 122.045 122.820 0.028 0.000 2.119 53 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 53 A C 1.827 179.420 177.584 0.014 0.000 1.152 53 A CA 1.638 53.680 52.037 0.010 0.000 0.708 53 A CB -0.722 18.281 19.000 0.005 0.000 0.805 53 A HN 0.329 nan 8.150 nan 0.000 0.460 54 S N -2.508 113.207 115.700 0.026 0.000 2.847 54 S HA 0.249 4.719 4.470 -0.000 0.000 0.254 54 S C 1.232 175.844 174.600 0.020 0.000 1.039 54 S CA -0.303 57.913 58.200 0.027 0.000 1.113 54 S CB -0.107 63.116 63.200 0.039 0.000 1.092 54 S HN 0.466 nan 8.310 nan 0.000 0.620 55 R N 2.455 122.961 120.500 0.009 0.000 2.189 55 R HA 0.085 4.425 4.340 -0.000 0.000 0.218 55 R C 0.864 177.149 176.300 -0.025 0.000 1.074 55 R CA 0.941 57.029 56.100 -0.020 0.000 0.991 55 R CB -0.079 30.187 30.300 -0.056 0.000 0.883 55 R HN 0.614 nan 8.270 nan 0.000 0.457 56 S N -0.461 115.231 115.700 -0.013 0.000 2.576 56 S HA 0.040 4.509 4.470 -0.000 0.000 0.276 56 S C 1.507 176.105 174.600 -0.003 0.000 1.339 56 S CA -0.785 57.407 58.200 -0.013 0.000 1.039 56 S CB 1.732 64.927 63.200 -0.009 0.000 0.902 56 S HN -0.116 nan 8.310 nan 0.000 0.516 57 V N 2.229 122.139 119.914 -0.007 0.000 2.343 57 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 57 V C 2.766 178.864 176.094 0.006 0.000 1.051 57 V CA 2.336 64.636 62.300 -0.001 0.000 1.036 57 V CB -1.247 30.568 31.823 -0.012 0.000 0.654 57 V HN 1.082 nan 8.190 nan 0.000 0.451 58 E N 0.096 120.296 120.200 0.000 0.000 2.049 58 E HA -0.264 4.086 4.350 -0.000 0.000 0.198 58 E C 2.190 178.805 176.600 0.024 0.000 1.007 58 E CA 2.167 58.571 56.400 0.007 0.000 0.809 58 E CB -0.205 29.496 29.700 0.001 0.000 0.749 58 E HN 0.611 nan 8.360 nan 0.000 0.450 59 T N 1.355 115.921 114.554 0.021 0.000 2.777 59 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 59 T C 1.924 176.649 174.700 0.042 0.000 1.040 59 T CA 1.110 63.227 62.100 0.028 0.000 1.141 59 T CB -0.179 68.699 68.868 0.018 0.000 0.868 59 T HN 0.147 nan 8.240 nan 0.000 0.444 60 L N 0.491 121.740 121.223 0.043 0.000 2.083 60 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 60 L C 2.622 179.555 176.870 0.104 0.000 1.083 60 L CA 1.392 56.267 54.840 0.059 0.000 0.752 60 L CB -0.447 41.642 42.059 0.051 0.000 0.899 60 L HN 0.219 nan 8.230 nan 0.000 0.433 61 K N -0.371 120.105 120.400 0.127 0.000 2.063 61 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 61 K C 2.079 178.815 176.600 0.227 0.000 1.048 61 K CA 1.266 57.704 56.287 0.251 0.000 0.928 61 K CB -0.096 32.492 32.500 0.147 0.000 0.713 61 K HN 0.222 nan 8.250 nan 0.000 0.442 62 E N 0.549 120.823 120.200 0.124 0.000 2.106 62 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 62 E C 1.968 178.593 176.600 0.042 0.000 0.984 62 E CA 1.158 57.605 56.400 0.080 0.000 0.806 62 E CB -0.103 29.631 29.700 0.056 0.000 0.750 62 E HN 0.382 nan 8.360 nan 0.000 0.458 63 M N 0.009 119.634 119.600 0.041 0.000 2.175 63 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 63 M C 2.281 178.569 176.300 -0.020 0.000 1.063 63 M CA 1.086 56.395 55.300 0.015 0.000 1.119 63 M CB -0.230 32.385 32.600 0.024 0.000 1.377 63 M HN 0.040 nan 8.290 nan 0.000 0.415 64 I N 0.122 120.683 120.570 -0.015 0.000 2.179 64 I HA -0.302 3.867 4.170 -0.000 0.000 0.242 64 I C 2.227 178.232 176.117 -0.185 0.000 1.088 64 I CA 1.440 62.677 61.300 -0.106 0.000 1.357 64 I CB -0.404 37.536 38.000 -0.099 0.000 1.051 64 I HN 0.230 nan 8.210 nan 0.000 0.409 65 K N 0.362 120.669 120.400 -0.155 0.000 2.152 65 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 65 K C 2.137 178.656 176.600 -0.136 0.000 1.048 65 K CA 1.533 57.723 56.287 -0.162 0.000 0.933 65 K CB -0.166 32.300 32.500 -0.056 0.000 0.721 65 K HN 0.162 nan 8.250 nan 0.000 0.447 66 S N -0.957 114.684 115.700 -0.098 0.000 2.489 66 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 66 S C 1.216 175.724 174.600 -0.153 0.000 0.995 66 S CA 0.896 59.031 58.200 -0.108 0.000 0.934 66 S CB 0.580 63.755 63.200 -0.041 0.000 0.771 66 S HN 0.632 nan 8.310 nan 0.000 0.522 67 G N 0.917 109.639 108.800 -0.129 0.000 2.273 67 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.162 67 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.162 67 G C 0.085 174.944 174.900 -0.068 0.000 1.006 67 G CA -0.218 44.822 45.100 -0.100 0.000 0.704 67 G HN 0.395 nan 8.290 nan 0.000 0.487 68 M N 1.259 120.815 119.600 -0.074 0.000 2.260 68 M HA 0.312 4.792 4.480 -0.000 0.000 0.348 68 M C 0.955 177.156 176.300 -0.165 0.000 1.342 68 M CA 1.081 56.335 55.300 -0.077 0.000 1.040 68 M CB 0.111 32.684 32.600 -0.044 0.000 1.810 68 M HN 0.243 nan 8.290 nan 0.000 0.453 69 N N 2.652 121.218 118.700 -0.223 0.000 2.463 69 N HA 0.190 4.929 4.740 -0.000 0.000 0.183 69 N C -1.049 174.249 175.510 -0.354 0.000 1.064 69 N CA -0.192 52.543 53.050 -0.525 0.000 0.879 69 N CB 0.986 39.013 38.487 -0.768 0.000 1.148 69 N HN 0.409 nan 8.380 nan 0.000 0.451 70 V N 0.811 120.650 119.914 -0.126 0.000 2.686 70 V HA 0.676 4.796 4.120 -0.000 0.000 0.306 70 V C -0.992 175.117 176.094 0.024 0.000 1.065 70 V CA -1.209 61.088 62.300 -0.006 0.000 0.894 70 V CB 1.659 33.532 31.823 0.084 0.000 1.004 70 V HN 0.092 nan 8.190 nan 0.000 0.424 71 A N 4.619 127.455 122.820 0.027 0.000 2.260 71 A HA 0.725 5.045 4.320 -0.000 0.000 0.308 71 A C 0.006 177.614 177.584 0.041 0.000 1.254 71 A CA -0.494 51.569 52.037 0.043 0.000 0.874 71 A CB 0.380 19.405 19.000 0.042 0.000 1.153 71 A HN 0.850 nan 8.150 nan 0.000 0.527 72 R N 3.154 123.701 120.500 0.079 0.000 2.255 72 R HA 0.539 4.879 4.340 -0.000 0.000 0.326 72 R C -1.269 175.103 176.300 0.121 0.000 0.986 72 R CA -0.534 55.613 56.100 0.077 0.000 0.847 72 R CB 0.562 30.980 30.300 0.198 0.000 1.111 72 R HN 0.629 nan 8.270 nan 0.000 0.452 73 M N 3.811 123.484 119.600 0.121 0.000 2.088 73 M HA 0.213 4.693 4.480 -0.000 0.000 0.346 73 M C -0.475 175.971 176.300 0.242 0.000 1.111 73 M CA -0.620 54.814 55.300 0.224 0.000 1.017 73 M CB 1.247 34.029 32.600 0.303 0.000 1.568 73 M HN 0.390 nan 8.290 nan 0.000 0.445 74 N N 2.538 121.388 118.700 0.251 0.000 2.469 74 N HA 0.174 4.914 4.740 -0.000 0.000 0.239 74 N C -0.450 175.188 175.510 0.214 0.000 1.053 74 N CA 0.004 53.205 53.050 0.252 0.000 0.937 74 N CB 0.161 38.801 38.487 0.256 0.000 1.163 74 N HN 0.471 nan 8.380 nan 0.000 0.509 75 F N 1.320 121.240 119.950 -0.050 0.000 2.804 75 F HA 0.106 4.633 4.527 -0.000 0.000 0.303 75 F C 2.041 177.844 175.800 0.005 0.000 1.154 75 F CA 0.117 58.081 58.000 -0.060 0.000 1.401 75 F CB -0.031 38.902 39.000 -0.111 0.000 1.106 75 F HN 0.459 nan 8.300 nan 0.000 0.568 76 S N -1.443 114.299 115.700 0.070 0.000 2.442 76 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 76 S C 0.135 174.431 174.600 -0.507 0.000 1.007 76 S CA 0.949 59.021 58.200 -0.212 0.000 0.965 76 S CB -0.447 62.557 63.200 -0.326 0.000 0.773 76 S HN 0.428 nan 8.310 nan 0.000 0.504 77 H N -1.306 117.828 119.070 0.106 0.000 2.928 77 H HA 0.606 5.162 4.556 -0.000 0.000 0.371 77 H C 0.279 175.611 175.328 0.007 0.000 1.186 77 H CA -0.181 55.884 56.048 0.029 0.000 1.134 77 H CB 1.346 31.100 29.762 -0.014 0.000 1.824 77 H HN 0.208 nan 8.280 nan 0.000 0.554 78 G N 0.575 109.353 108.800 -0.036 0.000 2.705 78 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.686 78 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.686 78 G C -0.019 174.794 174.900 -0.146 0.000 1.285 78 G CA -0.506 44.417 45.100 -0.294 0.000 0.800 78 G HN 0.900 nan 8.290 nan 0.000 0.611 79 T N -1.591 112.866 114.554 -0.160 0.000 2.847 79 T HA 0.534 4.883 4.350 -0.000 0.000 0.279 79 T C 1.360 176.077 174.700 0.028 0.000 0.984 79 T CA 0.516 62.579 62.100 -0.062 0.000 0.988 79 T CB 1.216 70.052 68.868 -0.054 0.000 1.040 79 T HN 0.682 nan 8.240 nan 0.000 0.528 80 H N -0.449 118.510 119.070 -0.185 0.000 2.387 80 H HA -0.103 4.453 4.556 -0.000 0.000 0.299 80 H C 2.307 177.547 175.328 -0.147 0.000 1.099 80 H CA 1.485 57.267 56.048 -0.443 0.000 1.315 80 H CB 0.231 29.529 29.762 -0.774 0.000 1.380 80 H HN 0.855 nan 8.280 nan 0.000 0.513 81 E N 0.720 120.971 120.200 0.084 0.000 2.058 81 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 81 E C 1.965 178.624 176.600 0.098 0.000 0.997 81 E CA 1.227 57.691 56.400 0.107 0.000 0.801 81 E CB -0.183 29.561 29.700 0.074 0.000 0.746 81 E HN 0.485 nan 8.360 nan 0.000 0.450 82 Y N 0.968 121.214 120.300 -0.091 0.000 2.114 82 Y HA -0.270 4.279 4.550 -0.000 0.000 0.284 82 Y C 2.408 178.201 175.900 -0.177 0.000 1.143 82 Y CA 2.312 60.302 58.100 -0.184 0.000 1.135 82 Y CB -0.270 37.989 38.460 -0.334 0.000 0.980 82 Y HN 0.225 nan 8.280 nan 0.000 0.499 83 H N -0.717 118.414 119.070 0.102 0.000 2.389 83 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 83 H C 2.327 177.770 175.328 0.192 0.000 1.081 83 H CA 1.114 57.211 56.048 0.082 0.000 1.345 83 H CB -0.689 29.046 29.762 -0.046 0.000 1.393 83 H HN 0.514 nan 8.280 nan 0.000 0.520 84 A N 1.103 124.160 122.820 0.395 0.000 1.902 84 A HA -0.214 4.105 4.320 -0.000 0.000 0.217 84 A C 2.390 180.049 177.584 0.126 0.000 1.181 84 A CA 1.831 54.066 52.037 0.330 0.000 0.623 84 A CB -0.433 18.802 19.000 0.391 0.000 0.818 84 A HN 0.513 nan 8.150 nan 0.000 0.443 85 E N -0.783 119.436 120.200 0.031 0.000 2.072 85 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 85 E C 1.974 178.524 176.600 -0.084 0.000 0.985 85 E CA 1.594 57.962 56.400 -0.053 0.000 0.801 85 E CB -0.166 29.458 29.700 -0.127 0.000 0.750 85 E HN 0.557 nan 8.360 nan 0.000 0.452 86 T N 1.350 115.822 114.554 -0.137 0.000 2.684 86 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 86 T C 1.906 176.612 174.700 0.009 0.000 1.036 86 T CA 1.535 63.582 62.100 -0.089 0.000 1.148 86 T CB -0.251 68.573 68.868 -0.074 0.000 0.863 86 T HN 0.187 nan 8.240 nan 0.000 0.436 87 I N 0.894 121.501 120.570 0.062 0.000 2.208 87 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 87 I C 2.660 178.800 176.117 0.039 0.000 1.097 87 I CA 1.333 62.672 61.300 0.066 0.000 1.363 87 I CB -0.339 37.711 38.000 0.084 0.000 1.051 87 I HN 0.205 nan 8.210 nan 0.000 0.413 88 K N 1.045 121.463 120.400 0.030 0.000 2.032 88 K HA -0.243 4.077 4.320 -0.000 0.000 0.209 88 K C 1.928 178.537 176.600 0.015 0.000 1.048 88 K CA 1.995 58.294 56.287 0.020 0.000 0.927 88 K CB -0.090 32.419 32.500 0.014 0.000 0.712 88 K HN 0.252 nan 8.250 nan 0.000 0.441 89 N N 0.569 119.270 118.700 0.002 0.000 2.120 89 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 89 N C 1.840 177.362 175.510 0.021 0.000 1.024 89 N CA 1.190 54.241 53.050 0.001 0.000 0.852 89 N CB -0.475 38.000 38.487 -0.020 0.000 1.003 89 N HN 0.012 nan 8.380 nan 0.000 0.424 90 V N 1.486 121.418 119.914 0.030 0.000 2.287 90 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 90 V C 2.289 178.420 176.094 0.062 0.000 1.053 90 V CA 1.637 63.965 62.300 0.047 0.000 1.027 90 V CB -0.380 31.472 31.823 0.047 0.000 0.646 90 V HN 0.296 nan 8.190 nan 0.000 0.447 91 R N -0.519 120.015 120.500 0.057 0.000 2.092 91 R HA -0.117 4.223 4.340 -0.000 0.000 0.231 91 R C 2.409 178.752 176.300 0.073 0.000 1.119 91 R CA 1.802 57.946 56.100 0.073 0.000 0.970 91 R CB -0.693 29.642 30.300 0.059 0.000 0.864 91 R HN 0.502 nan 8.270 nan 0.000 0.440 92 T N 0.992 115.572 114.554 0.044 0.000 2.708 92 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 92 T C 1.974 176.687 174.700 0.023 0.000 1.037 92 T CA 1.510 63.625 62.100 0.025 0.000 1.146 92 T CB -0.266 68.605 68.868 0.005 0.000 0.865 92 T HN 0.383 nan 8.240 nan 0.000 0.435 93 A N 1.322 124.166 122.820 0.040 0.000 1.877 93 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 93 A C 2.572 180.251 177.584 0.158 0.000 1.186 93 A CA 2.193 54.265 52.037 0.060 0.000 0.620 93 A CB -1.321 17.735 19.000 0.095 0.000 0.822 93 A HN 0.483 nan 8.150 nan 0.000 0.443 94 T N 0.106 114.775 114.554 0.192 0.000 2.708 94 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 94 T C 1.697 176.634 174.700 0.394 0.000 1.037 94 T CA 1.558 63.827 62.100 0.282 0.000 1.146 94 T CB -0.249 68.732 68.868 0.189 0.000 0.865 94 T HN 0.454 nan 8.240 nan 0.000 0.435 95 E N 1.468 121.818 120.200 0.250 0.000 2.347 95 E HA -0.022 4.328 4.350 -0.000 0.000 0.196 95 E C 2.467 179.122 176.600 0.092 0.000 1.008 95 E CA 0.663 57.183 56.400 0.201 0.000 0.852 95 E CB -0.495 29.265 29.700 0.100 0.000 0.783 95 E HN 0.653 nan 8.360 nan 0.000 0.505 96 S N -0.231 115.453 115.700 -0.027 0.000 2.469 96 S HA -0.106 4.363 4.470 -0.000 0.000 0.238 96 S C 1.453 175.867 174.600 -0.310 0.000 0.998 96 S CA 0.594 58.653 58.200 -0.236 0.000 0.957 96 S CB -0.403 62.548 63.200 -0.414 0.000 0.764 96 S HN 0.135 nan 8.310 nan 0.000 0.514 97 F N 1.044 121.078 119.950 0.139 0.000 2.695 97 F HA 0.574 5.101 4.527 -0.000 0.000 0.303 97 F C 2.307 178.246 175.800 0.232 0.000 1.091 97 F CA -0.255 57.848 58.000 0.171 0.000 1.300 97 F CB -0.334 38.764 39.000 0.164 0.000 1.071 97 F HN 0.272 nan 8.300 nan 0.000 0.578 98 A N 0.043 123.028 122.820 0.275 0.000 2.121 98 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 98 A C 2.332 179.886 177.584 -0.050 0.000 1.154 98 A CA 1.570 53.574 52.037 -0.054 0.000 0.679 98 A CB -0.919 17.923 19.000 -0.264 0.000 0.795 98 A HN 0.357 nan 8.150 nan 0.000 0.458 99 S N -0.573 115.139 115.700 0.020 0.000 2.419 99 S HA -0.115 4.354 4.470 -0.000 0.000 0.233 99 S C 0.588 175.204 174.600 0.028 0.000 1.016 99 S CA 1.019 59.224 58.200 0.008 0.000 0.974 99 S CB -0.227 62.979 63.200 0.009 0.000 0.786 99 S HN 0.441 nan 8.310 nan 0.000 0.492 100 D N 2.371 122.816 120.400 0.075 0.000 2.472 100 D HA 0.361 5.000 4.640 -0.000 0.000 0.234 100 D C -1.725 174.636 176.300 0.101 0.000 1.088 100 D CA -2.598 51.450 54.000 0.079 0.000 0.882 100 D CB 1.759 42.617 40.800 0.096 0.000 1.037 100 D HN 0.052 nan 8.370 nan 0.000 0.520 101 P HA -0.108 nan 4.420 nan 0.000 0.222 101 P C 1.511 178.867 177.300 0.094 0.000 1.147 101 P CA 0.360 63.497 63.100 0.062 0.000 0.790 101 P CB 0.590 32.298 31.700 0.014 0.000 0.780 102 I N -0.890 119.723 120.570 0.072 0.000 2.439 102 I HA -0.084 4.086 4.170 -0.000 0.000 0.251 102 I C 2.322 178.478 176.117 0.065 0.000 1.139 102 I CA 1.179 62.513 61.300 0.057 0.000 1.438 102 I CB -1.048 36.967 38.000 0.025 0.000 1.085 102 I HN -0.001 nan 8.210 nan 0.000 0.427 103 L N -1.291 119.982 121.223 0.084 0.000 2.556 103 L HA 0.060 4.400 4.340 -0.000 0.000 0.226 103 L C 0.743 177.658 176.870 0.074 0.000 1.089 103 L CA -0.239 54.639 54.840 0.063 0.000 0.864 103 L CB -0.249 41.840 42.059 0.050 0.000 1.067 103 L HN 0.057 nan 8.230 nan 0.000 0.477 104 Y N 3.011 123.320 120.300 0.016 0.000 2.810 104 Y HA -0.002 4.548 4.550 -0.000 0.000 0.332 104 Y C 0.223 176.092 175.900 -0.052 0.000 1.243 104 Y CA -0.153 57.954 58.100 0.013 0.000 1.537 104 Y CB 0.256 38.735 38.460 0.031 0.000 1.265 104 Y HN -0.019 nan 8.280 nan 0.000 0.572 105 R N 7.763 127.817 120.500 -0.744 0.000 2.343 105 R HA 0.363 4.703 4.340 -0.000 0.000 0.320 105 R C -2.740 173.031 176.300 -0.881 0.000 0.956 105 R CA -2.662 53.037 56.100 -0.668 0.000 0.836 105 R CB 0.785 30.817 30.300 -0.446 0.000 1.151 105 R HN 0.529 nan 8.270 nan 0.000 0.450 106 P HA 0.105 nan 4.420 nan 0.000 0.269 106 P C -0.563 176.738 177.300 0.001 0.000 1.209 106 P CA -0.205 62.748 63.100 -0.245 0.000 0.776 106 P CB 0.711 32.361 31.700 -0.083 0.000 0.876 107 V N 2.055 121.984 119.914 0.026 0.000 2.577 107 V HA 0.600 4.720 4.120 -0.000 0.000 0.303 107 V C 0.189 176.339 176.094 0.092 0.000 1.042 107 V CA -0.850 61.471 62.300 0.035 0.000 0.872 107 V CB 1.585 33.396 31.823 -0.020 0.000 0.998 107 V HN 0.684 nan 8.190 nan 0.000 0.423 108 A N 4.437 127.332 122.820 0.125 0.000 2.286 108 A HA 0.846 5.165 4.320 -0.000 0.000 0.286 108 A C -0.519 177.092 177.584 0.045 0.000 1.097 108 A CA -0.456 51.646 52.037 0.109 0.000 0.821 108 A CB 1.197 20.292 19.000 0.158 0.000 1.076 108 A HN 0.722 nan 8.150 nan 0.000 0.490 109 V N 0.894 120.817 119.914 0.015 0.000 2.444 109 V HA 0.639 4.759 4.120 -0.000 0.000 0.294 109 V C 0.289 176.320 176.094 -0.104 0.000 1.022 109 V CA -0.151 62.135 62.300 -0.022 0.000 0.850 109 V CB 1.195 33.014 31.823 -0.008 0.000 0.992 109 V HN 1.201 nan 8.190 nan 0.000 0.426 110 A N 5.215 127.922 122.820 -0.188 0.000 2.342 110 A HA 0.865 5.185 4.320 -0.000 0.000 0.323 110 A C -0.986 176.363 177.584 -0.390 0.000 1.125 110 A CA -0.566 51.195 52.037 -0.460 0.000 0.785 110 A CB 1.324 19.758 19.000 -0.943 0.000 1.221 110 A HN 0.890 nan 8.150 nan 0.000 0.463 111 L N 2.450 123.419 121.223 -0.423 0.000 2.280 111 L HA 0.413 4.752 4.340 -0.000 0.000 0.287 111 L C -0.914 175.772 176.870 -0.306 0.000 1.023 111 L CA -0.526 54.118 54.840 -0.326 0.000 0.819 111 L CB 0.987 42.791 42.059 -0.425 0.000 1.212 111 L HN 0.727 nan 8.230 nan 0.000 0.420 112 D N 4.055 124.392 120.400 -0.104 0.000 2.329 112 D HA 0.161 4.801 4.640 -0.000 0.000 0.232 112 D C -0.151 176.190 176.300 0.068 0.000 1.088 112 D CA -0.185 53.846 54.000 0.052 0.000 0.835 112 D CB 1.468 42.387 40.800 0.198 0.000 1.078 112 D HN 0.608 nan 8.370 nan 0.000 0.495 113 T N 0.976 115.548 114.554 0.031 0.000 2.860 113 T HA 0.095 4.445 4.350 -0.000 0.000 0.299 113 T C 1.312 176.073 174.700 0.101 0.000 1.045 113 T CA -0.429 61.694 62.100 0.037 0.000 1.071 113 T CB 1.959 70.838 68.868 0.018 0.000 0.985 113 T HN 0.438 nan 8.240 nan 0.000 0.537 114 K N 1.781 122.257 120.400 0.125 0.000 2.001 114 K HA 0.156 4.476 4.320 -0.000 0.000 0.208 114 K C 1.304 178.006 176.600 0.170 0.000 1.048 114 K CA 1.237 57.599 56.287 0.124 0.000 0.932 114 K CB -1.119 31.442 32.500 0.103 0.000 0.715 114 K HN 1.154 nan 8.250 nan 0.000 0.437 115 G N 0.294 109.183 108.800 0.149 0.000 2.698 115 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.233 115 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.233 115 G C -2.390 172.591 174.900 0.136 0.000 1.352 115 G CA -0.150 45.067 45.100 0.195 0.000 0.879 115 G HN 0.300 nan 8.290 nan 0.000 0.567 116 P HA 0.206 nan 4.420 nan 0.000 0.231 116 P C 0.030 177.113 177.300 -0.361 0.000 1.756 116 P CA 0.319 63.316 63.100 -0.172 0.000 0.990 116 P CB -0.264 31.295 31.700 -0.235 0.000 1.973 117 E N 1.057 121.165 120.200 -0.154 0.000 2.366 117 E HA 0.282 4.632 4.350 -0.000 0.000 0.266 117 E C 0.215 176.715 176.600 -0.167 0.000 1.051 117 E CA -0.492 55.826 56.400 -0.136 0.000 0.884 117 E CB 0.917 30.643 29.700 0.043 0.000 1.006 117 E HN 0.337 nan 8.360 nan 0.000 0.417 118 I N 3.036 123.510 120.570 -0.161 0.000 2.377 118 I HA 0.387 4.557 4.170 -0.000 0.000 0.293 118 I C 0.189 176.299 176.117 -0.012 0.000 0.987 118 I CA -0.537 60.703 61.300 -0.099 0.000 1.185 118 I CB 1.152 39.087 38.000 -0.107 0.000 1.341 118 I HN 0.243 nan 8.210 nan 0.000 0.455 119 R N 2.812 123.322 120.500 0.015 0.000 2.771 119 R HA 0.522 4.862 4.340 -0.000 0.000 0.274 119 R C -0.453 175.902 176.300 0.092 0.000 0.987 119 R CA -0.804 55.342 56.100 0.075 0.000 0.908 119 R CB 2.552 32.921 30.300 0.116 0.000 1.213 119 R HN 0.749 nan 8.270 nan 0.000 0.468 120 T N -1.337 113.300 114.554 0.139 0.000 2.770 120 T HA 0.438 4.787 4.350 -0.000 0.000 0.281 120 T C 0.855 175.780 174.700 0.375 0.000 0.981 120 T CA -0.425 61.798 62.100 0.204 0.000 0.955 120 T CB 1.162 70.128 68.868 0.163 0.000 1.060 120 T HN 0.604 nan 8.240 nan 0.000 0.531 121 G N -0.527 108.577 108.800 0.506 0.000 2.543 121 G HA2 0.572 4.532 3.960 -0.000 0.000 0.267 121 G HA3 0.572 4.532 3.960 -0.000 0.000 0.267 121 G C -0.558 174.451 174.900 0.182 0.000 1.406 121 G CA -1.260 44.078 45.100 0.396 0.000 1.048 121 G HN 0.821 nan 8.290 nan 0.000 0.548 122 L N 0.873 122.141 121.223 0.074 0.000 2.312 122 L HA 0.283 4.623 4.340 -0.000 0.000 0.281 122 L C 0.123 177.028 176.870 0.058 0.000 1.070 122 L CA -0.900 53.970 54.840 0.050 0.000 0.805 122 L CB 1.285 43.345 42.059 0.002 0.000 1.174 122 L HN 0.217 nan 8.230 nan 0.000 0.434 123 I N 2.937 123.545 120.570 0.063 0.000 2.775 123 I HA -0.060 4.110 4.170 -0.000 0.000 0.290 123 I C 0.827 176.969 176.117 0.041 0.000 1.203 123 I CA 0.096 61.433 61.300 0.061 0.000 1.433 123 I CB 0.262 38.300 38.000 0.062 0.000 1.354 123 I HN 0.677 nan 8.210 nan 0.000 0.579 124 K N 4.608 125.035 120.400 0.045 0.000 2.440 124 K HA 0.097 4.417 4.320 -0.000 0.000 0.270 124 K C 1.141 177.753 176.600 0.019 0.000 0.980 124 K CA 0.192 56.496 56.287 0.029 0.000 0.953 124 K CB 0.187 32.711 32.500 0.040 0.000 0.925 124 K HN 0.697 nan 8.250 nan 0.000 0.497 125 G N 1.547 110.350 108.800 0.006 0.000 2.440 125 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 125 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 125 G C 0.548 175.453 174.900 0.008 0.000 1.154 125 G CA 0.798 45.899 45.100 0.002 0.000 0.767 125 G HN 0.853 nan 8.290 nan 0.000 0.552 126 S N -0.343 115.363 115.700 0.010 0.000 2.603 126 S HA 0.550 5.019 4.470 -0.000 0.000 0.268 126 S C 0.794 175.407 174.600 0.021 0.000 1.317 126 S CA 0.334 58.541 58.200 0.013 0.000 1.012 126 S CB 1.147 64.354 63.200 0.011 0.000 0.926 126 S HN 1.852 nan 8.310 nan 0.000 0.539 127 G N 1.270 110.083 108.800 0.021 0.000 2.698 127 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.233 127 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.233 127 G C 0.061 174.980 174.900 0.031 0.000 1.352 127 G CA -0.225 44.892 45.100 0.028 0.000 0.879 127 G HN 2.047 nan 8.290 nan 0.000 0.567 128 T N -1.421 113.159 114.554 0.044 0.000 2.855 128 T HA 0.573 4.923 4.350 -0.000 0.000 0.314 128 T C 1.834 176.562 174.700 0.047 0.000 1.077 128 T CA 0.860 62.988 62.100 0.047 0.000 1.095 128 T CB 1.309 70.220 68.868 0.072 0.000 0.987 128 T HN 2.198 nan 8.240 nan 0.000 0.546 129 A N 1.517 124.357 122.820 0.033 0.000 1.902 129 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 129 A C 0.921 178.537 177.584 0.054 0.000 1.181 129 A CA 0.999 53.054 52.037 0.030 0.000 0.623 129 A CB -0.545 18.461 19.000 0.010 0.000 0.818 129 A HN 0.879 nan 8.150 nan 0.000 0.443 130 E N -1.957 118.289 120.200 0.078 0.000 2.244 130 E HA 0.603 4.953 4.350 -0.000 0.000 0.266 130 E C -1.228 175.496 176.600 0.207 0.000 0.914 130 E CA -0.540 55.944 56.400 0.141 0.000 0.794 130 E CB 2.287 32.087 29.700 0.168 0.000 1.210 130 E HN -0.020 nan 8.360 nan 0.000 0.414 131 V N 1.540 121.569 119.914 0.191 0.000 2.483 131 V HA 0.218 4.337 4.120 -0.000 0.000 0.295 131 V C -0.434 175.707 176.094 0.077 0.000 1.035 131 V CA -0.598 61.782 62.300 0.134 0.000 0.896 131 V CB 1.758 33.626 31.823 0.075 0.000 0.986 131 V HN 0.623 nan 8.190 nan 0.000 0.447 132 E N 4.669 124.838 120.200 -0.051 0.000 2.194 132 E HA 0.372 4.722 4.350 -0.000 0.000 0.284 132 E C -1.150 175.305 176.600 -0.241 0.000 1.035 132 E CA -0.453 55.705 56.400 -0.403 0.000 0.836 132 E CB 0.802 30.146 29.700 -0.593 0.000 1.070 132 E HN 0.540 nan 8.360 nan 0.000 0.401 133 L N 5.525 126.605 121.223 -0.237 0.000 2.259 133 L HA 0.350 4.690 4.340 -0.000 0.000 0.288 133 L C 0.015 176.786 176.870 -0.165 0.000 1.051 133 L CA -0.430 54.322 54.840 -0.146 0.000 0.824 133 L CB 0.706 42.710 42.059 -0.092 0.000 1.206 133 L HN 0.326 nan 8.230 nan 0.000 0.429 134 K N 3.189 123.509 120.400 -0.133 0.000 2.156 134 K HA 0.268 4.588 4.320 -0.000 0.000 0.271 134 K C -0.185 176.369 176.600 -0.078 0.000 0.995 134 K CA -0.848 55.369 56.287 -0.115 0.000 0.890 134 K CB 1.842 34.283 32.500 -0.098 0.000 1.073 134 K HN 0.319 nan 8.250 nan 0.000 0.454 135 K N 1.002 121.363 120.400 -0.065 0.000 2.504 135 K HA -0.144 4.175 4.320 -0.000 0.000 0.278 135 K C 0.768 177.344 176.600 -0.040 0.000 1.025 135 K CA 1.470 57.729 56.287 -0.047 0.000 1.093 135 K CB -0.098 32.382 32.500 -0.034 0.000 0.873 135 K HN 0.828 nan 8.250 nan 0.000 0.483 136 G N 1.871 110.648 108.800 -0.038 0.000 2.217 136 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.246 136 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.246 136 G C 0.175 175.055 174.900 -0.034 0.000 0.990 136 G CA 0.089 45.170 45.100 -0.032 0.000 0.627 136 G HN 0.958 nan 8.290 nan 0.000 0.522 137 A N 0.568 123.364 122.820 -0.041 0.000 2.366 137 A HA 0.702 5.022 4.320 -0.000 0.000 0.249 137 A C 0.998 178.558 177.584 -0.040 0.000 1.084 137 A CA 1.141 53.154 52.037 -0.041 0.000 0.794 137 A CB 0.192 19.163 19.000 -0.048 0.000 1.034 137 A HN 1.744 nan 8.150 nan 0.000 0.491 138 T N -0.142 114.389 114.554 -0.038 0.000 2.913 138 T HA 0.580 4.930 4.350 -0.000 0.000 0.287 138 T C -0.298 174.375 174.700 -0.044 0.000 1.008 138 T CA -0.537 61.540 62.100 -0.039 0.000 1.067 138 T CB 0.733 69.579 68.868 -0.037 0.000 0.996 138 T HN 0.625 nan 8.240 nan 0.000 0.513 139 L N 1.357 122.553 121.223 -0.045 0.000 2.516 139 L HA 0.497 4.836 4.340 -0.000 0.000 0.267 139 L C -0.582 176.257 176.870 -0.051 0.000 0.957 139 L CA -0.859 53.951 54.840 -0.049 0.000 0.860 139 L CB 2.199 44.232 42.059 -0.043 0.000 1.265 139 L HN 0.816 nan 8.230 nan 0.000 0.403 140 K N 5.013 125.369 120.400 -0.074 0.000 2.227 140 K HA 0.505 4.824 4.320 -0.000 0.000 0.280 140 K C -0.799 175.759 176.600 -0.070 0.000 1.041 140 K CA -0.472 55.764 56.287 -0.085 0.000 0.905 140 K CB 0.998 33.395 32.500 -0.170 0.000 1.068 140 K HN 0.532 nan 8.250 nan 0.000 0.470 141 I N 3.167 123.721 120.570 -0.028 0.000 2.331 141 I HA 0.116 4.286 4.170 -0.000 0.000 0.292 141 I C 0.381 176.495 176.117 -0.005 0.000 0.998 141 I CA -0.259 61.026 61.300 -0.025 0.000 1.267 141 I CB 1.800 39.783 38.000 -0.029 0.000 1.386 141 I HN 0.591 nan 8.210 nan 0.000 0.476 142 T N 5.933 120.472 114.554 -0.024 0.000 2.908 142 T HA 0.582 4.931 4.350 -0.000 0.000 0.290 142 T C 0.454 175.146 174.700 -0.013 0.000 1.034 142 T CA -0.507 61.606 62.100 0.023 0.000 1.010 142 T CB 1.258 70.112 68.868 -0.023 0.000 1.068 142 T HN 0.488 nan 8.240 nan 0.000 0.481 143 L N 1.447 122.693 121.223 0.039 0.000 2.766 143 L HA 0.360 4.699 4.340 -0.000 0.000 0.242 143 L C 0.563 177.617 176.870 0.307 0.000 1.136 143 L CA -0.260 54.565 54.840 -0.025 0.000 0.933 143 L CB 0.298 42.320 42.059 -0.062 0.000 1.241 143 L HN 0.555 nan 8.230 nan 0.000 0.522 144 D N 1.154 121.779 120.400 0.376 0.000 2.389 144 D HA -0.062 4.578 4.640 -0.000 0.000 0.263 144 D C 0.874 177.470 176.300 0.493 0.000 1.255 144 D CA 0.502 54.743 54.000 0.401 0.000 0.914 144 D CB 0.444 41.479 40.800 0.392 0.000 1.116 144 D HN 0.151 nan 8.370 nan 0.000 0.502 145 N N 2.768 121.671 118.700 0.339 0.000 2.430 145 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 145 N C 1.465 176.901 175.510 -0.123 0.000 1.032 145 N CA 0.644 53.746 53.050 0.087 0.000 0.893 145 N CB 0.118 38.651 38.487 0.076 0.000 0.957 145 N HN 0.504 nan 8.380 nan 0.000 0.442 146 A N 0.124 122.909 122.820 -0.058 0.000 2.131 146 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 146 A C 0.981 178.330 177.584 -0.393 0.000 1.158 146 A CA 1.122 53.017 52.037 -0.237 0.000 0.665 146 A CB -0.419 18.409 19.000 -0.288 0.000 0.795 146 A HN 0.395 nan 8.150 nan 0.000 0.460 147 Y N -0.544 119.700 120.300 -0.093 0.000 2.467 147 Y HA 0.163 4.713 4.550 -0.000 0.000 0.250 147 Y C 2.136 177.889 175.900 -0.245 0.000 1.155 147 Y CA 0.303 58.360 58.100 -0.073 0.000 1.249 147 Y CB -0.312 38.201 38.460 0.087 0.000 1.146 147 Y HN 0.468 nan 8.280 nan 0.000 0.524 148 M N -0.960 118.301 119.600 -0.566 0.000 2.358 148 M HA -0.072 4.407 4.480 -0.000 0.000 0.264 148 M C 0.199 176.212 176.300 -0.478 0.000 1.064 148 M CA 1.969 56.586 55.300 -1.139 0.000 1.093 148 M CB -0.100 31.393 32.600 -1.846 0.000 1.401 148 M HN 0.136 nan 8.290 nan 0.000 0.440 149 E N 0.775 120.812 120.200 -0.271 0.000 2.789 149 E HA 0.208 4.558 4.350 -0.000 0.000 0.208 149 E C -0.426 176.141 176.600 -0.054 0.000 0.988 149 E CA -0.071 56.249 56.400 -0.134 0.000 1.092 149 E CB 0.605 30.224 29.700 -0.136 0.000 1.066 149 E HN 0.525 nan 8.360 nan 0.000 0.465 150 K N 0.667 121.067 120.400 -0.001 0.000 2.972 150 K HA 0.242 4.562 4.320 -0.000 0.000 0.209 150 K C -0.663 176.029 176.600 0.153 0.000 1.128 150 K CA -0.297 56.029 56.287 0.066 0.000 1.024 150 K CB 0.552 33.073 32.500 0.036 0.000 0.754 150 K HN 0.034 nan 8.250 nan 0.000 0.454 151 C N 2.563 121.942 119.300 0.130 0.000 2.644 151 C HA 0.212 4.672 4.460 -0.000 0.000 0.417 151 C C 0.616 175.664 174.990 0.097 0.000 1.304 151 C CA -0.245 58.855 59.018 0.137 0.000 2.035 151 C CB -0.511 27.317 27.740 0.146 0.000 2.673 151 C HN 0.686 nan 8.230 nan 0.000 0.602 152 D N 0.726 121.172 120.400 0.077 0.000 2.921 152 D HA 0.143 4.783 4.640 -0.000 0.000 0.329 152 D C 0.610 176.928 176.300 0.030 0.000 1.293 152 D CA -0.548 53.484 54.000 0.054 0.000 0.964 152 D CB -0.011 40.821 40.800 0.052 0.000 1.435 152 D HN 0.491 nan 8.370 nan 0.000 0.548 153 E N 0.062 120.272 120.200 0.016 0.000 2.418 153 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 153 E C 0.130 176.718 176.600 -0.020 0.000 1.026 153 E CA 0.939 57.335 56.400 -0.007 0.000 0.862 153 E CB -0.575 29.116 29.700 -0.014 0.000 0.799 153 E HN 0.543 nan 8.360 nan 0.000 0.518 154 N N -0.031 118.658 118.700 -0.020 0.000 2.482 154 N HA 0.250 4.989 4.740 -0.000 0.000 0.179 154 N C 0.111 175.576 175.510 -0.075 0.000 1.039 154 N CA 0.179 53.203 53.050 -0.044 0.000 0.884 154 N CB 0.826 39.290 38.487 -0.038 0.000 1.113 154 N HN 0.030 nan 8.380 nan 0.000 0.440 155 I N 1.308 121.836 120.570 -0.071 0.000 2.534 155 I HA 0.296 4.466 4.170 -0.000 0.000 0.288 155 I C -1.715 174.379 176.117 -0.039 0.000 1.077 155 I CA -0.829 60.391 61.300 -0.133 0.000 1.051 155 I CB 2.658 40.462 38.000 -0.327 0.000 1.234 155 I HN -0.094 nan 8.210 nan 0.000 0.425 156 L N 6.635 127.848 121.223 -0.017 0.000 2.343 156 L HA 0.504 4.844 4.340 -0.000 0.000 0.278 156 L C -1.259 175.687 176.870 0.126 0.000 0.996 156 L CA -0.166 54.716 54.840 0.069 0.000 0.831 156 L CB 1.380 43.463 42.059 0.041 0.000 1.232 156 L HN 0.636 nan 8.230 nan 0.000 0.413 157 W N 7.287 128.602 121.300 0.025 0.000 2.316 157 W HA 0.577 5.237 4.660 -0.000 0.000 0.321 157 W C -1.180 175.372 176.519 0.055 0.000 1.203 157 W CA -0.348 57.029 57.345 0.053 0.000 1.214 157 W CB 1.099 30.619 29.460 0.100 0.000 1.169 157 W HN 0.542 nan 8.180 nan 0.000 0.561 158 L N 2.693 123.490 121.223 -0.712 0.000 2.359 158 L HA 0.572 4.911 4.340 -0.000 0.000 0.256 158 L C -0.017 176.017 176.870 -1.394 0.000 1.026 158 L CA -0.854 53.531 54.840 -0.759 0.000 0.828 158 L CB 1.690 43.584 42.059 -0.275 0.000 1.406 158 L HN 0.488 nan 8.230 nan 0.000 0.413 159 D N -1.242 118.670 120.400 -0.813 0.000 2.340 159 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 159 D C -0.102 176.106 176.300 -0.153 0.000 1.081 159 D CA 0.207 53.879 54.000 -0.546 0.000 0.842 159 D CB -0.196 40.558 40.800 -0.076 0.000 0.934 159 D HN 0.491 nan 8.370 nan 0.000 0.511 160 Y N 2.368 122.491 120.300 -0.296 0.000 2.594 160 Y HA 0.291 4.841 4.550 -0.000 0.000 0.342 160 Y C 0.990 176.790 175.900 -0.166 0.000 1.010 160 Y CA -1.502 56.491 58.100 -0.179 0.000 1.270 160 Y CB 0.655 39.025 38.460 -0.151 0.000 1.125 160 Y HN -0.288 nan 8.280 nan 0.000 0.513 161 K N 2.931 123.308 120.400 -0.038 0.000 2.147 161 K HA -0.180 4.139 4.320 -0.000 0.000 0.205 161 K C 0.759 177.183 176.600 -0.294 0.000 1.049 161 K CA 1.070 57.273 56.287 -0.140 0.000 0.936 161 K CB 0.095 32.581 32.500 -0.023 0.000 0.722 161 K HN 0.523 nan 8.250 nan 0.000 0.446 162 N N 1.133 119.541 118.700 -0.486 0.000 2.276 162 N HA 0.096 4.836 4.740 -0.000 0.000 0.212 162 N C 1.179 176.171 175.510 -0.862 0.000 1.127 162 N CA -0.101 52.642 53.050 -0.512 0.000 0.834 162 N CB -0.058 38.314 38.487 -0.192 0.000 1.014 162 N HN 0.130 nan 8.380 nan 0.000 0.491 163 I N -0.455 119.411 120.570 -1.174 0.000 2.151 163 I HA -0.390 3.780 4.170 -0.000 0.000 0.243 163 I C 1.231 177.129 176.117 -0.366 0.000 1.080 163 I CA 1.249 62.039 61.300 -0.850 0.000 1.339 163 I CB -0.016 37.686 38.000 -0.497 0.000 1.039 163 I HN 0.215 nan 8.210 nan 0.000 0.409 164 C N 0.716 119.840 119.300 -0.292 0.000 2.419 164 C HA -0.114 4.346 4.460 -0.000 0.000 0.283 164 C C 2.384 177.280 174.990 -0.156 0.000 1.373 164 C CA 0.670 59.572 59.018 -0.192 0.000 1.781 164 C CB -1.337 26.289 27.740 -0.190 0.000 1.886 164 C HN 0.438 nan 8.230 nan 0.000 0.520 165 K N 0.876 121.175 120.400 -0.168 0.000 2.365 165 K HA 0.017 4.337 4.320 -0.000 0.000 0.197 165 K C 1.609 178.167 176.600 -0.069 0.000 1.042 165 K CA 0.764 56.986 56.287 -0.109 0.000 0.987 165 K CB 0.015 32.454 32.500 -0.101 0.000 0.779 165 K HN 0.558 nan 8.250 nan 0.000 0.484 166 V N -2.824 117.051 119.914 -0.066 0.000 3.605 166 V HA 0.262 4.382 4.120 -0.000 0.000 0.284 166 V C 0.396 176.488 176.094 -0.003 0.000 1.386 166 V CA -0.468 61.829 62.300 -0.006 0.000 1.053 166 V CB -0.063 31.801 31.823 0.069 0.000 0.857 166 V HN -0.089 nan 8.190 nan 0.000 0.436 167 V N -1.581 118.315 119.914 -0.030 0.000 2.881 167 V HA 0.776 4.896 4.120 -0.000 0.000 0.316 167 V C -0.989 175.084 176.094 -0.035 0.000 1.070 167 V CA -0.502 61.784 62.300 -0.023 0.000 0.976 167 V CB 1.908 33.715 31.823 -0.025 0.000 1.038 167 V HN 0.288 nan 8.190 nan 0.000 0.446 168 D N 0.685 121.070 120.400 -0.025 0.000 2.477 168 D HA 0.483 5.122 4.640 -0.000 0.000 0.234 168 D C -0.569 175.715 176.300 -0.027 0.000 1.048 168 D CA -0.461 53.522 54.000 -0.029 0.000 0.959 168 D CB 2.308 43.096 40.800 -0.020 0.000 1.408 168 D HN 0.532 nan 8.370 nan 0.000 0.496 169 V N 0.811 120.708 119.914 -0.028 0.000 2.644 169 V HA 0.297 4.417 4.120 -0.000 0.000 0.305 169 V C 1.590 177.674 176.094 -0.017 0.000 1.053 169 V CA 1.821 64.108 62.300 -0.023 0.000 1.186 169 V CB 0.303 32.114 31.823 -0.021 0.000 0.895 169 V HN 1.018 nan 8.190 nan 0.000 0.490 170 G N 3.780 112.569 108.800 -0.018 0.000 2.254 170 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.225 170 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.225 170 G C 0.467 175.359 174.900 -0.013 0.000 1.003 170 G CA 0.096 45.187 45.100 -0.014 0.000 0.622 170 G HN 0.766 nan 8.290 nan 0.000 0.507 171 S N 1.135 116.827 115.700 -0.013 0.000 2.558 171 S HA 0.422 4.891 4.470 -0.000 0.000 0.288 171 S C 0.455 175.038 174.600 -0.027 0.000 1.318 171 S CA 0.419 58.615 58.200 -0.006 0.000 1.056 171 S CB 0.972 64.169 63.200 -0.005 0.000 0.853 171 S HN 0.473 nan 8.310 nan 0.000 0.505 172 K N 1.702 122.091 120.400 -0.017 0.000 2.172 172 K HA 0.528 4.848 4.320 -0.000 0.000 0.276 172 K C -1.025 175.504 176.600 -0.119 0.000 1.013 172 K CA -0.339 55.881 56.287 -0.112 0.000 0.913 172 K CB 1.213 33.652 32.500 -0.102 0.000 1.055 172 K HN 0.287 nan 8.250 nan 0.000 0.461 173 V N 4.222 123.988 119.914 -0.246 0.000 2.444 173 V HA 0.349 4.469 4.120 -0.000 0.000 0.294 173 V C -1.160 174.754 176.094 -0.301 0.000 1.022 173 V CA -0.905 61.308 62.300 -0.146 0.000 0.850 173 V CB 0.707 32.482 31.823 -0.080 0.000 0.992 173 V HN 0.583 nan 8.190 nan 0.000 0.426 174 Y N 3.095 123.406 120.300 0.019 0.000 2.387 174 Y HA 0.733 5.283 4.550 -0.000 0.000 0.336 174 Y C 0.089 176.006 175.900 0.029 0.000 1.067 174 Y CA -0.752 57.363 58.100 0.024 0.000 1.114 174 Y CB 2.093 40.571 38.460 0.029 0.000 1.208 174 Y HN 0.383 nan 8.280 nan 0.000 0.458 175 V N 1.937 121.948 119.914 0.162 0.000 2.709 175 V HA 0.336 4.455 4.120 -0.000 0.000 0.308 175 V C -0.906 175.261 176.094 0.123 0.000 1.062 175 V CA -1.247 61.122 62.300 0.115 0.000 0.901 175 V CB 1.731 33.595 31.823 0.068 0.000 1.003 175 V HN 0.821 nan 8.190 nan 0.000 0.425 176 D N 3.678 124.147 120.400 0.114 0.000 3.437 176 D HA -0.142 4.498 4.640 -0.000 0.000 0.243 176 D C 0.221 176.585 176.300 0.107 0.000 1.104 176 D CA 1.042 55.107 54.000 0.108 0.000 1.009 176 D CB -0.801 40.060 40.800 0.101 0.000 0.937 176 D HN 0.903 nan 8.370 nan 0.000 0.417 177 D N 0.855 121.318 120.400 0.104 0.000 2.811 177 D HA -0.153 4.487 4.640 -0.000 0.000 0.231 177 D C 1.286 177.634 176.300 0.081 0.000 1.157 177 D CA 2.466 56.519 54.000 0.087 0.000 0.716 177 D CB -1.486 39.359 40.800 0.076 0.000 1.077 177 D HN 1.244 nan 8.370 nan 0.000 0.428 178 G N -1.150 107.718 108.800 0.113 0.000 2.166 178 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.260 178 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.260 178 G C 1.097 176.104 174.900 0.179 0.000 0.986 178 G CA 0.648 45.831 45.100 0.138 0.000 0.683 178 G HN 0.524 nan 8.290 nan 0.000 0.527 179 L N -0.923 120.385 121.223 0.143 0.000 2.270 179 L HA 0.358 4.698 4.340 -0.000 0.000 0.210 179 L C 1.476 178.418 176.870 0.119 0.000 1.104 179 L CA 0.647 55.559 54.840 0.119 0.000 0.804 179 L CB 0.041 42.158 42.059 0.096 0.000 0.937 179 L HN 0.295 nan 8.230 nan 0.000 0.450 180 I N -0.554 120.088 120.570 0.120 0.000 2.441 180 I HA 0.214 4.384 4.170 -0.000 0.000 0.295 180 I C -0.036 176.101 176.117 0.032 0.000 0.994 180 I CA -0.258 61.080 61.300 0.063 0.000 1.144 180 I CB 1.936 39.959 38.000 0.037 0.000 1.314 180 I HN -0.024 nan 8.210 nan 0.000 0.445 181 S N 6.843 122.502 115.700 -0.069 0.000 2.548 181 S HA 0.847 5.317 4.470 -0.000 0.000 0.286 181 S C -1.020 173.443 174.600 -0.229 0.000 1.098 181 S CA -0.810 57.213 58.200 -0.295 0.000 0.930 181 S CB 1.695 64.627 63.200 -0.446 0.000 1.070 181 S HN 0.471 nan 8.310 nan 0.000 0.480 182 L N 1.554 122.612 121.223 -0.276 0.000 2.354 182 L HA 0.645 4.984 4.340 -0.000 0.000 0.264 182 L C -0.426 176.342 176.870 -0.170 0.000 1.008 182 L CA -0.760 53.980 54.840 -0.168 0.000 0.819 182 L CB 2.145 44.133 42.059 -0.118 0.000 1.339 182 L HN 0.773 nan 8.230 nan 0.000 0.420 183 Q N 1.057 120.793 119.800 -0.108 0.000 2.331 183 Q HA 0.474 4.813 4.340 -0.000 0.000 0.267 183 Q C -1.307 174.660 176.000 -0.055 0.000 1.006 183 Q CA -0.731 55.023 55.803 -0.081 0.000 0.818 183 Q CB 2.370 31.071 28.738 -0.061 0.000 1.276 183 Q HN 0.482 nan 8.270 nan 0.000 0.450 184 V N 5.240 125.127 119.914 -0.046 0.000 2.529 184 V HA -0.000 4.120 4.120 -0.000 0.000 0.292 184 V C 0.702 176.782 176.094 -0.023 0.000 1.028 184 V CA 0.420 62.701 62.300 -0.031 0.000 1.074 184 V CB 0.855 32.660 31.823 -0.031 0.000 0.958 184 V HN 0.821 nan 8.190 nan 0.000 0.481 185 K N 2.880 123.272 120.400 -0.013 0.000 2.387 185 K HA 0.242 4.562 4.320 -0.000 0.000 0.197 185 K C 0.433 177.033 176.600 -0.000 0.000 1.127 185 K CA 0.378 56.661 56.287 -0.008 0.000 0.950 185 K CB 0.782 33.278 32.500 -0.007 0.000 1.017 185 K HN 0.744 nan 8.250 nan 0.000 0.519 186 Q N 0.519 120.325 119.800 0.011 0.000 2.353 186 Q HA 0.270 4.610 4.340 -0.000 0.000 0.275 186 Q C -1.676 174.327 176.000 0.005 0.000 1.029 186 Q CA -0.430 55.383 55.803 0.017 0.000 0.848 186 Q CB 2.024 30.792 28.738 0.051 0.000 1.390 186 Q HN -0.159 nan 8.270 nan 0.000 0.401 187 K N 1.365 121.734 120.400 -0.052 0.000 2.235 187 K HA 0.580 4.900 4.320 -0.000 0.000 0.266 187 K C -0.177 176.250 176.600 -0.288 0.000 0.980 187 K CA -0.476 55.728 56.287 -0.140 0.000 0.849 187 K CB 1.844 34.268 32.500 -0.128 0.000 1.098 187 K HN 0.703 nan 8.250 nan 0.000 0.445 191 F N -0.508 119.405 119.950 -0.063 0.000 2.643 191 F HA 0.810 5.337 4.527 -0.000 0.000 0.314 191 F C -1.850 173.906 175.800 -0.074 0.000 1.096 191 F CA -1.515 56.443 58.000 -0.071 0.000 0.953 191 F CB 1.489 40.453 39.000 -0.060 0.000 1.345 191 F HN -0.213 nan 8.300 nan 0.000 0.468 192 L N 3.151 124.511 121.223 0.229 0.000 2.381 192 L HA 0.639 4.978 4.340 -0.000 0.000 0.274 192 L C -0.830 176.129 176.870 0.149 0.000 0.988 192 L CA -1.312 53.602 54.840 0.122 0.000 0.824 192 L CB 1.953 44.020 42.059 0.013 0.000 1.263 192 L HN 0.772 nan 8.230 nan 0.000 0.410 193 V N 2.668 122.670 119.914 0.146 0.000 2.407 193 V HA 0.718 4.838 4.120 -0.000 0.000 0.278 193 V C 0.164 176.269 176.094 0.018 0.000 1.037 193 V CA 0.247 62.585 62.300 0.064 0.000 0.900 193 V CB 1.529 33.388 31.823 0.061 0.000 0.983 193 V HN 0.903 nan 8.190 nan 0.000 0.459 194 T N 2.632 117.181 114.554 -0.009 0.000 2.926 194 T HA 0.639 4.989 4.350 -0.000 0.000 0.289 194 T C -0.621 174.059 174.700 -0.033 0.000 1.054 194 T CA -0.668 61.416 62.100 -0.026 0.000 1.015 194 T CB 1.948 70.793 68.868 -0.039 0.000 1.167 194 T HN 0.931 nan 8.240 nan 0.000 0.526 195 E N 0.955 121.130 120.200 -0.041 0.000 2.210 195 E HA 0.525 4.875 4.350 -0.000 0.000 0.266 195 E C -1.016 175.551 176.600 -0.054 0.000 0.883 195 E CA -1.001 55.373 56.400 -0.042 0.000 0.761 195 E CB 1.910 31.589 29.700 -0.035 0.000 1.156 195 E HN 0.572 nan 8.360 nan 0.000 0.412 196 V N 5.040 124.921 119.914 -0.054 0.000 2.529 196 V HA -0.014 4.106 4.120 -0.000 0.000 0.292 196 V C 0.902 176.961 176.094 -0.058 0.000 1.028 196 V CA 0.649 62.912 62.300 -0.062 0.000 1.074 196 V CB 0.885 32.671 31.823 -0.061 0.000 0.958 196 V HN 0.844 nan 8.190 nan 0.000 0.481 197 E N 2.922 123.081 120.200 -0.068 0.000 2.152 197 E HA 0.116 4.465 4.350 -0.000 0.000 0.195 197 E C 0.049 176.627 176.600 -0.037 0.000 0.934 197 E CA 0.177 56.545 56.400 -0.053 0.000 0.869 197 E CB 0.294 29.954 29.700 -0.067 0.000 0.842 197 E HN 0.606 nan 8.360 nan 0.000 0.472 198 N N 1.240 119.917 118.700 -0.038 0.000 2.469 198 N HA 0.243 4.983 4.740 -0.000 0.000 0.253 198 N C -0.316 175.181 175.510 -0.021 0.000 0.970 198 N CA 0.004 53.048 53.050 -0.010 0.000 0.940 198 N CB 1.704 40.209 38.487 0.030 0.000 1.128 198 N HN 0.049 nan 8.380 nan 0.000 0.503 199 G N -0.076 108.705 108.800 -0.032 0.000 2.562 199 G HA2 0.680 4.640 3.960 -0.000 0.000 0.275 199 G HA3 0.680 4.640 3.960 -0.000 0.000 0.275 199 G C 0.102 174.966 174.900 -0.059 0.000 1.196 199 G CA -0.274 44.787 45.100 -0.064 0.000 0.908 199 G HN 0.600 nan 8.290 nan 0.000 0.524 200 G N -1.706 107.022 108.800 -0.120 0.000 2.322 200 G HA2 0.430 4.390 3.960 -0.000 0.000 0.295 200 G HA3 0.430 4.390 3.960 -0.000 0.000 0.295 200 G C -1.518 173.263 174.900 -0.198 0.000 1.369 200 G CA -1.039 44.008 45.100 -0.089 0.000 0.821 200 G HN 0.452 nan 8.290 nan 0.000 0.536 201 F N -0.080 119.885 119.950 0.026 0.000 2.410 201 F HA 0.627 5.154 4.527 -0.000 0.000 0.348 201 F C 0.416 176.235 175.800 0.032 0.000 1.106 201 F CA -0.511 57.504 58.000 0.026 0.000 1.163 201 F CB 1.842 40.856 39.000 0.023 0.000 1.129 201 F HN 0.348 nan 8.300 nan 0.000 0.516 202 L N 3.810 125.143 121.223 0.183 0.000 2.305 202 L HA 0.774 5.114 4.340 -0.000 0.000 0.284 202 L C -0.009 176.938 176.870 0.130 0.000 1.013 202 L CA 0.061 54.977 54.840 0.126 0.000 0.819 202 L CB 0.901 43.007 42.059 0.078 0.000 1.227 202 L HN 0.621 nan 8.230 nan 0.000 0.417 203 G N 2.561 111.428 108.800 0.112 0.000 2.641 203 G HA2 0.503 4.463 3.960 -0.000 0.000 0.239 203 G HA3 0.503 4.463 3.960 -0.000 0.000 0.239 203 G C -0.904 174.049 174.900 0.089 0.000 1.402 203 G CA -0.628 44.527 45.100 0.092 0.000 1.046 203 G HN 0.605 nan 8.290 nan 0.000 0.565 204 S N 0.275 116.022 115.700 0.078 0.000 2.578 204 S HA 0.425 4.894 4.470 -0.000 0.000 0.283 204 S C -0.186 174.475 174.600 0.102 0.000 1.195 204 S CA -0.542 57.709 58.200 0.086 0.000 1.050 204 S CB 1.263 64.501 63.200 0.064 0.000 1.012 204 S HN 0.511 nan 8.310 nan 0.000 0.511 205 K N 0.882 121.361 120.400 0.131 0.000 3.257 205 K HA -0.126 4.194 4.320 -0.000 0.000 0.270 205 K C -0.786 175.904 176.600 0.149 0.000 0.984 205 K CA 0.585 56.963 56.287 0.153 0.000 0.739 205 K CB -1.055 31.533 32.500 0.146 0.000 1.351 205 K HN 0.444 nan 8.250 nan 0.000 0.463 206 K N 0.152 120.633 120.400 0.135 0.000 2.098 206 K HA 0.340 4.660 4.320 -0.000 0.000 0.261 206 K C 0.941 177.614 176.600 0.122 0.000 0.987 206 K CA -0.227 56.135 56.287 0.125 0.000 0.916 206 K CB 1.054 33.620 32.500 0.110 0.000 1.039 206 K HN 0.311 nan 8.250 nan 0.000 0.455 207 G N 0.410 109.284 108.800 0.124 0.000 2.442 207 G HA2 0.372 4.332 3.960 -0.000 0.000 0.249 207 G HA3 0.372 4.332 3.960 -0.000 0.000 0.249 207 G C -0.594 174.366 174.900 0.101 0.000 1.263 207 G CA -0.398 44.771 45.100 0.115 0.000 0.846 207 G HN 0.222 nan 8.290 nan 0.000 0.555 208 V N 3.161 123.120 119.914 0.076 0.000 2.604 208 V HA 0.415 4.535 4.120 -0.000 0.000 0.305 208 V C -0.289 175.843 176.094 0.062 0.000 1.043 208 V CA -1.063 61.281 62.300 0.073 0.000 0.888 208 V CB 1.796 33.647 31.823 0.046 0.000 0.995 208 V HN 0.763 nan 8.190 nan 0.000 0.429 209 N N 4.094 122.864 118.700 0.116 0.000 2.269 209 N HA 0.603 5.343 4.740 -0.000 0.000 0.304 209 N C -1.256 174.348 175.510 0.157 0.000 1.072 209 N CA -0.557 52.556 53.050 0.104 0.000 0.802 209 N CB 2.900 41.450 38.487 0.105 0.000 1.348 209 N HN 0.474 nan 8.380 nan 0.000 0.484 210 L N 2.580 123.860 121.223 0.095 0.000 2.581 210 L HA 0.367 4.707 4.340 -0.000 0.000 0.241 210 L C -2.450 174.481 176.870 0.102 0.000 1.265 210 L CA -1.583 53.324 54.840 0.112 0.000 0.954 210 L CB 0.923 43.029 42.059 0.079 0.000 1.269 210 L HN 0.171 nan 8.230 nan 0.000 0.475 211 P HA 0.140 nan 4.420 nan 0.000 0.268 211 P C 1.062 178.422 177.300 0.099 0.000 1.205 211 P CA 0.485 63.644 63.100 0.099 0.000 0.771 211 P CB 1.073 32.819 31.700 0.077 0.000 0.858 212 G N 1.426 110.274 108.800 0.080 0.000 2.196 212 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.268 212 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.268 212 G C 0.422 175.346 174.900 0.040 0.000 0.975 212 G CA 0.200 45.334 45.100 0.058 0.000 0.648 212 G HN 0.877 nan 8.290 nan 0.000 0.538 213 A N -0.149 122.698 122.820 0.045 0.000 2.304 213 A HA 0.865 5.185 4.320 -0.000 0.000 0.301 213 A C 0.664 178.264 177.584 0.026 0.000 1.132 213 A CA 0.653 52.712 52.037 0.038 0.000 0.819 213 A CB 1.168 20.201 19.000 0.056 0.000 1.094 213 A HN 1.921 nan 8.150 nan 0.000 0.492 214 A N 2.562 125.396 122.820 0.023 0.000 2.923 214 A HA 0.504 4.824 4.320 -0.000 0.000 0.306 214 A C 0.037 177.637 177.584 0.027 0.000 1.542 214 A CA -0.330 51.714 52.037 0.013 0.000 1.225 214 A CB -0.842 18.162 19.000 0.007 0.000 1.147 214 A HN 0.842 nan 8.150 nan 0.000 0.542 215 V N 2.977 122.891 119.914 0.001 0.000 2.485 215 V HA 0.008 4.128 4.120 -0.000 0.000 0.287 215 V C 0.884 176.952 176.094 -0.043 0.000 1.022 215 V CA 0.719 63.001 62.300 -0.030 0.000 1.067 215 V CB 0.606 32.306 31.823 -0.205 0.000 0.967 215 V HN 0.925 nan 8.190 nan 0.000 0.479 216 D N 3.876 124.303 120.400 0.045 0.000 2.388 216 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 216 D C 0.340 176.645 176.300 0.008 0.000 1.133 216 D CA -0.299 53.724 54.000 0.039 0.000 0.831 216 D CB -0.037 40.811 40.800 0.079 0.000 0.962 216 D HN 0.435 nan 8.370 nan 0.000 0.502 217 L N 1.374 122.533 121.223 -0.106 0.000 2.483 217 L HA 0.201 4.541 4.340 -0.000 0.000 0.276 217 L C -1.542 175.286 176.870 -0.069 0.000 1.213 217 L CA -1.389 53.378 54.840 -0.121 0.000 0.843 217 L CB -0.015 41.868 42.059 -0.292 0.000 1.107 217 L HN -0.040 nan 8.230 nan 0.000 0.487 218 P HA 0.020 nan 4.420 nan 0.000 0.268 218 P C 0.023 177.317 177.300 -0.009 0.000 1.205 218 P CA -0.237 62.857 63.100 -0.010 0.000 0.771 218 P CB 1.052 32.757 31.700 0.007 0.000 0.858 219 A N 3.463 126.286 122.820 0.005 0.000 1.908 219 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 219 A C 0.967 178.572 177.584 0.035 0.000 1.181 219 A CA 1.448 53.499 52.037 0.023 0.000 0.627 219 A CB -0.547 18.466 19.000 0.021 0.000 0.818 219 A HN 0.445 nan 8.150 nan 0.000 0.445 220 V N 1.247 121.178 119.914 0.028 0.000 2.357 220 V HA 0.358 4.478 4.120 -0.000 0.000 0.281 220 V C 0.185 176.297 176.094 0.030 0.000 1.015 220 V CA -0.290 62.029 62.300 0.032 0.000 0.827 220 V CB 0.914 32.755 31.823 0.029 0.000 1.018 220 V HN 0.541 nan 8.190 nan 0.000 0.432 221 S N 3.128 118.849 115.700 0.034 0.000 2.655 221 S HA 0.347 4.817 4.470 -0.000 0.000 0.265 221 S C 0.984 175.608 174.600 0.040 0.000 1.240 221 S CA -0.441 57.779 58.200 0.033 0.000 0.986 221 S CB 1.253 64.472 63.200 0.033 0.000 0.985 221 S HN 0.577 nan 8.310 nan 0.000 0.562 222 E N 0.871 121.096 120.200 0.040 0.000 2.085 222 E HA -0.175 4.174 4.350 -0.000 0.000 0.194 222 E C 1.853 178.486 176.600 0.054 0.000 0.994 222 E CA 1.273 57.699 56.400 0.044 0.000 0.801 222 E CB -0.387 29.337 29.700 0.040 0.000 0.743 222 E HN 0.758 nan 8.360 nan 0.000 0.453 223 K N 0.691 121.124 120.400 0.056 0.000 2.057 223 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 223 K C 1.501 178.159 176.600 0.095 0.000 1.049 223 K CA 1.604 57.935 56.287 0.072 0.000 0.931 223 K CB 0.040 32.582 32.500 0.070 0.000 0.714 223 K HN -0.032 nan 8.250 nan 0.000 0.440 224 D N 0.878 121.323 120.400 0.075 0.000 2.117 224 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 224 D C 1.999 178.330 176.300 0.052 0.000 0.987 224 D CA 1.050 55.087 54.000 0.062 0.000 0.829 224 D CB -0.190 40.639 40.800 0.048 0.000 0.961 224 D HN 0.302 nan 8.370 nan 0.000 0.460 225 I N 0.964 121.567 120.570 0.055 0.000 2.163 225 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 225 I C 2.460 178.626 176.117 0.081 0.000 1.085 225 I CA 1.039 62.372 61.300 0.054 0.000 1.347 225 I CB -0.165 37.864 38.000 0.050 0.000 1.044 225 I HN -0.053 nan 8.210 nan 0.000 0.408 226 Q N 0.444 120.313 119.800 0.115 0.000 2.124 226 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 226 Q C 1.823 177.987 176.000 0.273 0.000 0.977 226 Q CA 1.516 57.434 55.803 0.191 0.000 0.850 226 Q CB -0.519 28.326 28.738 0.178 0.000 0.901 226 Q HN 0.525 nan 8.270 nan 0.000 0.429 227 D N 0.332 120.866 120.400 0.224 0.000 2.117 227 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 227 D C 2.165 178.415 176.300 -0.083 0.000 0.982 227 D CA 0.674 54.739 54.000 0.107 0.000 0.828 227 D CB -0.214 40.610 40.800 0.040 0.000 0.967 227 D HN 0.184 nan 8.370 nan 0.000 0.464 228 L N 0.540 121.730 121.223 -0.055 0.000 2.046 228 L HA -0.147 4.192 4.340 -0.000 0.000 0.208 228 L C 2.357 179.203 176.870 -0.039 0.000 1.077 228 L CA 1.181 55.973 54.840 -0.080 0.000 0.747 228 L CB -0.255 41.778 42.059 -0.044 0.000 0.896 228 L HN -0.041 nan 8.230 nan 0.000 0.432 229 K N -0.627 119.789 120.400 0.026 0.000 2.097 229 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 229 K C 2.077 178.707 176.600 0.051 0.000 1.049 229 K CA 1.511 57.824 56.287 0.043 0.000 0.933 229 K CB -0.278 32.271 32.500 0.082 0.000 0.717 229 K HN 0.108 nan 8.250 nan 0.000 0.442 230 F N 1.400 121.295 119.950 -0.091 0.000 2.134 230 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 230 F C 2.072 177.774 175.800 -0.164 0.000 1.097 230 F CA 1.670 59.573 58.000 -0.161 0.000 1.264 230 F CB -0.621 38.115 39.000 -0.441 0.000 1.001 230 F HN -0.007 nan 8.300 nan 0.000 0.479 231 G N -0.003 108.677 108.800 -0.201 0.000 2.440 231 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 231 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 231 G C 1.749 176.511 174.900 -0.231 0.000 1.154 231 G CA 1.229 46.165 45.100 -0.275 0.000 0.767 231 G HN 0.342 nan 8.290 nan 0.000 0.552 232 V N 0.903 120.723 119.914 -0.158 0.000 2.295 232 V HA -0.173 3.946 4.120 -0.000 0.000 0.246 232 V C 2.652 178.662 176.094 -0.139 0.000 1.049 232 V CA 2.337 64.568 62.300 -0.115 0.000 1.024 232 V CB -0.411 31.373 31.823 -0.064 0.000 0.648 232 V HN 0.503 nan 8.190 nan 0.000 0.447 233 E N 0.285 120.382 120.200 -0.172 0.000 2.085 233 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 233 E C 2.116 178.570 176.600 -0.244 0.000 0.994 233 E CA 1.454 57.746 56.400 -0.180 0.000 0.801 233 E CB -0.212 29.386 29.700 -0.170 0.000 0.743 233 E HN 0.544 nan 8.360 nan 0.000 0.453 234 Q N 0.112 119.677 119.800 -0.392 0.000 2.403 234 Q HA 0.012 4.352 4.340 -0.000 0.000 0.203 234 Q C -0.116 175.766 176.000 -0.196 0.000 0.932 234 Q CA 0.840 56.431 55.803 -0.354 0.000 0.945 234 Q CB 0.362 28.760 28.738 -0.566 0.000 1.045 234 Q HN 0.322 nan 8.270 nan 0.000 0.511 235 D N 0.200 120.505 120.400 -0.157 0.000 2.746 235 D HA -0.145 4.494 4.640 -0.000 0.000 0.236 235 D C -0.152 176.100 176.300 -0.079 0.000 1.129 235 D CA 0.601 54.545 54.000 -0.093 0.000 0.691 235 D CB -1.343 39.421 40.800 -0.061 0.000 1.077 235 D HN 0.181 nan 8.370 nan 0.000 0.432 236 V N -2.648 117.199 119.914 -0.110 0.000 3.139 236 V HA 0.219 4.339 4.120 -0.000 0.000 0.307 236 V C 1.385 177.440 176.094 -0.066 0.000 1.095 236 V CA 0.540 62.782 62.300 -0.096 0.000 1.160 236 V CB 1.186 32.924 31.823 -0.142 0.000 1.003 236 V HN 0.068 nan 8.190 nan 0.000 0.489 237 D N 2.625 122.994 120.400 -0.051 0.000 2.327 237 D HA 0.179 4.819 4.640 -0.000 0.000 0.205 237 D C 0.625 176.912 176.300 -0.022 0.000 0.989 237 D CA 1.447 55.438 54.000 -0.014 0.000 0.873 237 D CB 0.498 41.312 40.800 0.023 0.000 0.955 237 D HN 0.837 nan 8.370 nan 0.000 0.515 238 M N -1.468 118.083 119.600 -0.080 0.000 2.643 238 M HA 0.426 4.906 4.480 -0.000 0.000 0.276 238 M C -2.026 174.157 176.300 -0.194 0.000 1.200 238 M CA -0.862 54.391 55.300 -0.078 0.000 0.863 238 M CB 2.739 35.337 32.600 -0.003 0.000 1.711 238 M HN -0.426 nan 8.290 nan 0.000 0.492 239 V N 2.504 122.353 119.914 -0.107 0.000 2.540 239 V HA 0.566 4.686 4.120 -0.000 0.000 0.302 239 V C -1.281 174.867 176.094 0.090 0.000 1.035 239 V CA -0.375 61.850 62.300 -0.125 0.000 0.873 239 V CB 1.858 33.635 31.823 -0.078 0.000 0.992 239 V HN 0.676 nan 8.190 nan 0.000 0.428 240 F N 3.513 123.434 119.950 -0.048 0.000 2.350 240 F HA 0.644 5.171 4.527 -0.000 0.000 0.365 240 F C 0.703 176.470 175.800 -0.055 0.000 1.122 240 F CA -1.564 56.408 58.000 -0.047 0.000 1.139 240 F CB 0.896 39.874 39.000 -0.037 0.000 1.220 240 F HN 0.506 nan 8.300 nan 0.000 0.499 241 A N 2.797 125.692 122.820 0.125 0.000 2.279 241 A HA 0.538 4.857 4.320 -0.000 0.000 0.306 241 A C 0.363 177.953 177.584 0.009 0.000 1.300 241 A CA -0.413 51.653 52.037 0.050 0.000 0.925 241 A CB 0.023 19.042 19.000 0.032 0.000 1.152 241 A HN 0.592 nan 8.150 nan 0.000 0.544 242 S N 1.505 117.203 115.700 -0.004 0.000 2.564 242 S HA 0.405 4.875 4.470 -0.000 0.000 0.278 242 S C -0.101 174.497 174.600 -0.003 0.000 1.333 242 S CA 0.057 58.179 58.200 -0.131 0.000 1.048 242 S CB -0.377 62.749 63.200 -0.124 0.000 0.900 242 S HN 0.804 nan 8.310 nan 0.000 0.505 243 F N -0.227 119.727 119.950 0.006 0.000 3.080 243 F HA -0.159 4.368 4.527 -0.000 0.000 0.292 243 F C 0.193 175.988 175.800 -0.008 0.000 0.891 243 F CA -0.288 57.709 58.000 -0.005 0.000 1.086 243 F CB -1.760 37.230 39.000 -0.016 0.000 1.095 243 F HN 0.403 nan 8.300 nan 0.000 0.633 244 I N 1.038 121.663 120.570 0.091 0.000 2.598 244 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 244 I C 1.507 177.657 176.117 0.056 0.000 1.140 244 I CA 0.604 61.935 61.300 0.052 0.000 1.420 244 I CB 0.948 38.951 38.000 0.004 0.000 1.387 244 I HN 0.351 nan 8.210 nan 0.000 0.553 245 R N 4.996 125.520 120.500 0.041 0.000 2.307 245 R HA 0.160 4.500 4.340 -0.000 0.000 0.200 245 R C -0.147 176.156 176.300 0.005 0.000 0.893 245 R CA 0.181 56.304 56.100 0.037 0.000 1.042 245 R CB 0.614 30.935 30.300 0.036 0.000 1.059 245 R HN 0.649 nan 8.270 nan 0.000 0.530 246 K N -2.692 117.692 120.400 -0.027 0.000 2.642 246 K HA 0.451 4.771 4.320 -0.000 0.000 0.290 246 K C -0.137 176.389 176.600 -0.122 0.000 1.006 246 K CA -0.295 55.957 56.287 -0.058 0.000 0.869 246 K CB 0.889 33.366 32.500 -0.039 0.000 1.499 246 K HN -0.167 nan 8.250 nan 0.000 0.403 247 A N 1.061 123.782 122.820 -0.165 0.000 1.908 247 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 247 A C 2.262 179.539 177.584 -0.511 0.000 1.181 247 A CA 2.490 54.328 52.037 -0.333 0.000 0.627 247 A CB -1.173 17.672 19.000 -0.259 0.000 0.818 247 A HN 0.868 nan 8.150 nan 0.000 0.445 248 A N 0.022 122.706 122.820 -0.228 0.000 1.978 248 A HA -0.211 4.108 4.320 -0.000 0.000 0.220 248 A C 1.698 179.236 177.584 -0.077 0.000 1.170 248 A CA 1.965 53.952 52.037 -0.084 0.000 0.636 248 A CB -0.580 18.429 19.000 0.015 0.000 0.810 248 A HN 0.502 nan 8.150 nan 0.000 0.448 249 D N -0.184 120.162 120.400 -0.091 0.000 2.117 249 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 249 D C 2.068 178.333 176.300 -0.059 0.000 0.987 249 D CA 1.498 55.470 54.000 -0.047 0.000 0.829 249 D CB -0.536 40.248 40.800 -0.028 0.000 0.961 249 D HN 0.260 nan 8.370 nan 0.000 0.460 250 V N 0.837 120.667 119.914 -0.141 0.000 2.343 250 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 250 V C 2.029 178.107 176.094 -0.027 0.000 1.051 250 V CA 1.718 63.949 62.300 -0.115 0.000 1.036 250 V CB -0.829 30.884 31.823 -0.184 0.000 0.654 250 V HN 0.339 nan 8.190 nan 0.000 0.451 251 H N -0.100 118.965 119.070 -0.008 0.000 2.387 251 H HA -0.142 4.414 4.556 -0.000 0.000 0.299 251 H C 2.441 177.768 175.328 -0.001 0.000 1.090 251 H CA 1.453 57.497 56.048 -0.006 0.000 1.332 251 H CB 0.104 29.862 29.762 -0.007 0.000 1.386 251 H HN 0.517 nan 8.280 nan 0.000 0.516 252 E N 0.458 120.723 120.200 0.108 0.000 2.051 252 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 252 E C 2.434 179.061 176.600 0.046 0.000 0.991 252 E CA 1.262 57.700 56.400 0.063 0.000 0.799 252 E CB 0.012 29.737 29.700 0.041 0.000 0.748 252 E HN 0.224 nan 8.360 nan 0.000 0.449 253 V N 1.154 121.089 119.914 0.036 0.000 2.287 253 V HA -0.284 3.835 4.120 -0.000 0.000 0.248 253 V C 2.440 178.550 176.094 0.028 0.000 1.053 253 V CA 1.972 64.286 62.300 0.024 0.000 1.027 253 V CB -0.510 31.322 31.823 0.014 0.000 0.646 253 V HN 0.199 nan 8.190 nan 0.000 0.447 254 R N -0.007 120.520 120.500 0.046 0.000 2.096 254 R HA -0.216 4.124 4.340 -0.000 0.000 0.235 254 R C 2.446 178.765 176.300 0.032 0.000 1.127 254 R CA 1.959 58.085 56.100 0.044 0.000 0.968 254 R CB -0.239 30.102 30.300 0.068 0.000 0.861 254 R HN 0.497 nan 8.270 nan 0.000 0.440 255 K N 0.216 120.639 120.400 0.038 0.000 2.057 255 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 255 K C 1.900 178.512 176.600 0.019 0.000 1.049 255 K CA 1.287 57.589 56.287 0.025 0.000 0.931 255 K CB 0.031 32.549 32.500 0.029 0.000 0.714 255 K HN 0.095 nan 8.250 nan 0.000 0.440 256 I N 1.657 122.239 120.570 0.021 0.000 2.179 256 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 256 I C 2.259 178.381 176.117 0.009 0.000 1.088 256 I CA 1.306 62.616 61.300 0.016 0.000 1.357 256 I CB -1.071 36.940 38.000 0.017 0.000 1.051 256 I HN 0.260 nan 8.210 nan 0.000 0.409 257 L N 0.201 121.426 121.223 0.003 0.000 2.079 257 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 257 L C 1.584 178.453 176.870 -0.002 0.000 1.081 257 L CA 0.969 55.806 54.840 -0.006 0.000 0.752 257 L CB -1.073 40.981 42.059 -0.009 0.000 0.896 257 L HN 0.501 nan 8.230 nan 0.000 0.433 258 G N -0.217 108.586 108.800 0.005 0.000 2.645 258 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.246 258 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.246 258 G C 0.545 175.446 174.900 0.003 0.000 1.322 258 G CA 0.209 45.312 45.100 0.005 0.000 0.898 258 G HN 0.177 nan 8.290 nan 0.000 0.573 259 E N 0.017 120.218 120.200 0.002 0.000 2.072 259 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 259 E C 2.454 179.054 176.600 -0.001 0.000 0.985 259 E CA 1.445 57.846 56.400 0.001 0.000 0.801 259 E CB -0.307 29.394 29.700 0.001 0.000 0.750 259 E HN 0.582 nan 8.360 nan 0.000 0.452 260 K N 0.061 120.459 120.400 -0.003 0.000 2.152 260 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 260 K C 1.670 178.264 176.600 -0.011 0.000 1.048 260 K CA 1.416 57.698 56.287 -0.008 0.000 0.933 260 K CB -0.145 32.348 32.500 -0.011 0.000 0.721 260 K HN 0.115 nan 8.250 nan 0.000 0.447 261 G N 0.935 109.729 108.800 -0.010 0.000 3.284 261 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.236 261 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.236 261 G C 0.858 175.756 174.900 -0.003 0.000 1.158 261 G CA -0.195 44.897 45.100 -0.014 0.000 0.774 261 G HN 0.397 nan 8.290 nan 0.000 0.545 262 K N 0.055 120.457 120.400 0.003 0.000 2.211 262 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 262 K C 1.313 177.924 176.600 0.018 0.000 1.047 262 K CA 1.526 57.819 56.287 0.011 0.000 0.935 262 K CB -0.275 32.232 32.500 0.011 0.000 0.728 262 K HN 0.301 nan 8.250 nan 0.000 0.452 263 N N 0.346 119.057 118.700 0.018 0.000 2.280 263 N HA 0.195 4.935 4.740 -0.000 0.000 0.192 263 N C -0.393 175.136 175.510 0.031 0.000 1.109 263 N CA -0.359 52.709 53.050 0.030 0.000 0.855 263 N CB 0.278 38.785 38.487 0.032 0.000 0.974 263 N HN 0.108 nan 8.380 nan 0.000 0.482 264 I N 1.879 122.458 120.570 0.015 0.000 2.496 264 I HA 0.026 4.196 4.170 -0.000 0.000 0.285 264 I C 0.201 176.329 176.117 0.019 0.000 1.080 264 I CA -0.275 61.028 61.300 0.006 0.000 1.404 264 I CB 0.577 38.564 38.000 -0.021 0.000 1.403 264 I HN -0.117 nan 8.210 nan 0.000 0.539 265 K N 7.365 127.784 120.400 0.031 0.000 2.276 265 K HA 0.439 4.759 4.320 -0.000 0.000 0.283 265 K C -0.416 176.210 176.600 0.043 0.000 1.044 265 K CA -0.229 56.084 56.287 0.044 0.000 0.944 265 K CB 1.009 33.545 32.500 0.060 0.000 1.012 265 K HN 0.486 nan 8.250 nan 0.000 0.472 266 I N 4.679 125.273 120.570 0.039 0.000 2.312 266 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 266 I C -0.045 176.102 176.117 0.050 0.000 1.008 266 I CA -0.612 60.714 61.300 0.043 0.000 1.226 266 I CB 0.727 38.742 38.000 0.025 0.000 1.371 266 I HN 0.184 nan 8.210 nan 0.000 0.468 267 I N 5.455 126.089 120.570 0.105 0.000 2.307 267 I HA 0.222 4.392 4.170 -0.000 0.000 0.289 267 I C 0.366 176.503 176.117 0.034 0.000 1.021 267 I CA -0.160 61.180 61.300 0.066 0.000 1.224 267 I CB 1.020 39.091 38.000 0.117 0.000 1.376 267 I HN 0.439 nan 8.210 nan 0.000 0.470 268 S N 6.563 122.254 115.700 -0.015 0.000 2.523 268 S HA 0.284 4.754 4.470 -0.000 0.000 0.275 268 S C 0.256 174.832 174.600 -0.039 0.000 1.281 268 S CA -0.589 57.598 58.200 -0.022 0.000 1.050 268 S CB 0.675 63.851 63.200 -0.040 0.000 0.937 268 S HN 0.367 nan 8.310 nan 0.000 0.492 269 K N 2.877 123.246 120.400 -0.053 0.000 2.248 269 K HA 0.335 4.654 4.320 -0.000 0.000 0.281 269 K C -0.628 175.928 176.600 -0.073 0.000 1.054 269 K CA -0.421 55.807 56.287 -0.099 0.000 0.903 269 K CB 0.587 32.993 32.500 -0.157 0.000 1.077 269 K HN 0.410 nan 8.250 nan 0.000 0.474 270 I N 4.376 124.919 120.570 -0.045 0.000 2.297 270 I HA 0.056 4.226 4.170 -0.000 0.000 0.291 270 I C 0.704 176.793 176.117 -0.047 0.000 1.033 270 I CA 0.145 61.444 61.300 -0.002 0.000 1.253 270 I CB 0.481 38.511 38.000 0.050 0.000 1.396 270 I HN 0.808 nan 8.210 nan 0.000 0.476 271 E N 4.398 124.584 120.200 -0.024 0.000 2.948 271 E HA 0.178 4.527 4.350 -0.000 0.000 0.186 271 E C -0.689 175.965 176.600 0.091 0.000 0.951 271 E CA -0.536 55.851 56.400 -0.022 0.000 1.308 271 E CB 0.259 29.865 29.700 -0.155 0.000 1.037 271 E HN 0.658 nan 8.360 nan 0.000 0.469 272 N N -0.858 117.903 118.700 0.102 0.000 2.853 272 N HA 0.141 4.881 4.740 -0.000 0.000 0.258 272 N C 0.061 175.643 175.510 0.120 0.000 1.444 272 N CA -0.834 52.289 53.050 0.122 0.000 0.837 272 N CB 0.626 39.213 38.487 0.166 0.000 1.489 272 N HN 0.015 nan 8.380 nan 0.000 0.529 273 H N -0.769 118.313 119.070 0.021 0.000 2.353 273 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 273 H C 1.323 176.659 175.328 0.014 0.000 1.090 273 H CA 1.793 57.844 56.048 0.005 0.000 1.327 273 H CB 0.427 30.189 29.762 -0.001 0.000 1.383 273 H HN 0.791 nan 8.280 nan 0.000 0.508 274 E N -0.289 120.004 120.200 0.156 0.000 2.077 274 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 274 E C 2.428 179.082 176.600 0.090 0.000 0.989 274 E CA 0.961 57.405 56.400 0.074 0.000 0.800 274 E CB -0.277 29.445 29.700 0.037 0.000 0.746 274 E HN 0.600 nan 8.360 nan 0.000 0.452 275 G N 0.344 109.206 108.800 0.104 0.000 2.422 275 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 275 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 275 G C 1.616 176.605 174.900 0.149 0.000 1.146 275 G CA 0.968 46.133 45.100 0.108 0.000 0.769 275 G HN 0.234 nan 8.290 nan 0.000 0.547 276 V N 0.394 120.383 119.914 0.125 0.000 2.307 276 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 276 V C 2.741 178.918 176.094 0.137 0.000 1.045 276 V CA 1.955 64.315 62.300 0.099 0.000 1.024 276 V CB -0.492 31.340 31.823 0.014 0.000 0.651 276 V HN 0.356 nan 8.190 nan 0.000 0.449 277 R N 0.365 120.950 120.500 0.142 0.000 2.091 277 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 277 R C 1.917 178.268 176.300 0.085 0.000 1.136 277 R CA 1.553 57.712 56.100 0.099 0.000 0.959 277 R CB -0.058 30.273 30.300 0.053 0.000 0.856 277 R HN 0.422 nan 8.270 nan 0.000 0.437 278 R N -0.406 120.144 120.500 0.084 0.000 2.586 278 R HA 0.037 4.376 4.340 -0.000 0.000 0.306 278 R C 1.054 177.386 176.300 0.052 0.000 1.079 278 R CA -0.332 55.796 56.100 0.048 0.000 1.083 278 R CB 0.017 30.325 30.300 0.013 0.000 1.306 278 R HN 0.196 nan 8.270 nan 0.000 0.567 279 F N 2.197 122.135 119.950 -0.020 0.000 2.091 279 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 279 F C 1.514 177.295 175.800 -0.032 0.000 1.103 279 F CA 1.857 59.839 58.000 -0.030 0.000 1.228 279 F CB 0.128 39.107 39.000 -0.034 0.000 0.984 279 F HN 0.018 nan 8.300 nan 0.000 0.477 280 D N 0.319 120.665 120.400 -0.090 0.000 2.104 280 D HA -0.239 4.400 4.640 -0.000 0.000 0.194 280 D C 2.181 178.340 176.300 -0.236 0.000 0.994 280 D CA 1.862 55.755 54.000 -0.178 0.000 0.830 280 D CB -0.617 40.172 40.800 -0.018 0.000 0.959 280 D HN 0.699 nan 8.370 nan 0.000 0.452 281 E N 0.471 120.577 120.200 -0.158 0.000 2.150 281 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 281 E C 2.221 178.703 176.600 -0.197 0.000 0.985 281 E CA 0.648 56.966 56.400 -0.137 0.000 0.814 281 E CB -0.406 29.244 29.700 -0.082 0.000 0.752 281 E HN 0.272 nan 8.360 nan 0.000 0.466 282 I N 0.633 121.045 120.570 -0.264 0.000 2.202 282 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 282 I C 2.478 178.387 176.117 -0.347 0.000 1.091 282 I CA 0.576 61.708 61.300 -0.279 0.000 1.368 282 I CB -0.205 37.656 38.000 -0.232 0.000 1.058 282 I HN 0.161 nan 8.210 nan 0.000 0.410 283 L N 0.930 121.801 121.223 -0.586 0.000 2.012 283 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 283 L C 2.517 179.238 176.870 -0.248 0.000 1.073 283 L CA 1.962 56.504 54.840 -0.498 0.000 0.748 283 L CB -0.887 40.755 42.059 -0.696 0.000 0.891 283 L HN 0.244 nan 8.230 nan 0.000 0.431 284 E N -0.089 119.987 120.200 -0.207 0.000 2.097 284 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 284 E C 1.910 178.475 176.600 -0.058 0.000 1.000 284 E CA 1.613 57.952 56.400 -0.103 0.000 0.804 284 E CB -0.108 29.548 29.700 -0.075 0.000 0.740 284 E HN 0.619 nan 8.360 nan 0.000 0.454 285 A N 0.191 122.967 122.820 -0.074 0.000 2.123 285 A HA 0.079 4.399 4.320 -0.000 0.000 0.214 285 A C 1.378 178.948 177.584 -0.024 0.000 1.152 285 A CA 0.285 52.312 52.037 -0.016 0.000 0.728 285 A CB 0.154 19.079 19.000 -0.125 0.000 0.814 285 A HN 0.138 nan 8.150 nan 0.000 0.464 286 S N 0.046 115.705 115.700 -0.069 0.000 2.687 286 S HA 0.303 4.772 4.470 -0.000 0.000 0.283 286 S C 0.008 174.588 174.600 -0.032 0.000 1.170 286 S CA -0.563 57.606 58.200 -0.053 0.000 1.008 286 S CB 1.092 64.241 63.200 -0.085 0.000 1.026 286 S HN 0.384 nan 8.310 nan 0.000 0.541 287 D N 0.523 120.914 120.400 -0.015 0.000 2.333 287 D HA 0.239 4.879 4.640 -0.000 0.000 0.208 287 D C 0.831 177.102 176.300 -0.047 0.000 0.984 287 D CA 0.531 54.526 54.000 -0.009 0.000 0.873 287 D CB 0.383 41.193 40.800 0.017 0.000 0.935 287 D HN 0.637 nan 8.370 nan 0.000 0.521 288 G N -0.168 108.598 108.800 -0.058 0.000 2.430 288 G HA2 0.437 4.397 3.960 -0.000 0.000 0.300 288 G HA3 0.437 4.397 3.960 -0.000 0.000 0.300 288 G C -1.870 172.990 174.900 -0.066 0.000 1.330 288 G CA -0.617 44.431 45.100 -0.087 0.000 0.813 288 G HN -0.074 nan 8.290 nan 0.000 0.487 289 I N 0.461 120.990 120.570 -0.069 0.000 2.769 289 I HA 0.539 4.709 4.170 -0.000 0.000 0.298 289 I C -0.443 175.606 176.117 -0.114 0.000 1.128 289 I CA -0.687 60.591 61.300 -0.037 0.000 1.031 289 I CB 2.046 40.109 38.000 0.105 0.000 1.235 289 I HN 0.669 nan 8.210 nan 0.000 0.423 290 M N 5.322 124.835 119.600 -0.146 0.000 2.311 290 M HA 0.464 4.944 4.480 -0.000 0.000 0.325 290 M C -1.345 174.873 176.300 -0.136 0.000 1.061 290 M CA -0.728 54.446 55.300 -0.209 0.000 0.957 290 M CB 1.758 34.150 32.600 -0.347 0.000 1.646 290 M HN 0.283 nan 8.290 nan 0.000 0.434 291 V N 5.119 124.956 119.914 -0.128 0.000 2.352 291 V HA 0.256 4.375 4.120 -0.000 0.000 0.253 291 V C 0.586 176.612 176.094 -0.113 0.000 1.083 291 V CA -0.375 61.859 62.300 -0.111 0.000 0.993 291 V CB -0.044 31.713 31.823 -0.109 0.000 1.111 291 V HN 0.864 nan 8.190 nan 0.000 0.490 292 A N 5.843 128.594 122.820 -0.116 0.000 2.922 292 A HA 0.340 4.660 4.320 -0.000 0.000 0.298 292 A C 1.416 178.946 177.584 -0.090 0.000 1.588 292 A CA -0.393 51.572 52.037 -0.121 0.000 1.288 292 A CB -0.323 18.575 19.000 -0.170 0.000 1.130 292 A HN 0.841 nan 8.150 nan 0.000 0.557 293 R N 1.404 121.863 120.500 -0.068 0.000 2.189 293 R HA -0.093 4.247 4.340 -0.000 0.000 0.223 293 R C 2.206 178.486 176.300 -0.033 0.000 1.092 293 R CA 1.135 57.206 56.100 -0.049 0.000 0.989 293 R CB 0.007 30.286 30.300 -0.036 0.000 0.876 293 R HN 0.701 nan 8.270 nan 0.000 0.457 294 G N 1.550 110.334 108.800 -0.026 0.000 2.524 294 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.215 294 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.215 294 G C 0.996 175.899 174.900 0.004 0.000 1.239 294 G CA 0.919 46.016 45.100 -0.004 0.000 0.798 294 G HN 0.196 nan 8.290 nan 0.000 0.557 295 D N 0.056 120.461 120.400 0.008 0.000 2.144 295 D HA -0.078 4.561 4.640 -0.000 0.000 0.200 295 D C 2.485 178.803 176.300 0.029 0.000 0.978 295 D CA 0.613 54.650 54.000 0.060 0.000 0.833 295 D CB -0.100 40.780 40.800 0.133 0.000 0.961 295 D HN 0.157 nan 8.370 nan 0.000 0.470 296 L N 1.147 122.362 121.223 -0.012 0.000 2.042 296 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 296 L C 2.154 178.992 176.870 -0.053 0.000 1.076 296 L CA 1.904 56.724 54.840 -0.033 0.000 0.749 296 L CB -0.852 41.171 42.059 -0.059 0.000 0.893 296 L HN 0.006 nan 8.230 nan 0.000 0.432 297 G N -1.595 107.176 108.800 -0.049 0.000 2.848 297 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.208 297 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.208 297 G C 1.354 176.201 174.900 -0.088 0.000 1.152 297 G CA 0.622 45.687 45.100 -0.059 0.000 0.789 297 G HN 0.499 nan 8.290 nan 0.000 0.531 298 I N -0.753 119.760 120.570 -0.095 0.000 3.300 298 I HA 0.110 4.280 4.170 -0.000 0.000 0.279 298 I C 2.191 178.188 176.117 -0.200 0.000 1.172 298 I CA 0.132 61.322 61.300 -0.182 0.000 1.431 298 I CB 0.123 38.052 38.000 -0.118 0.000 1.240 298 I HN -0.053 nan 8.210 nan 0.000 0.453 299 E N 1.856 122.005 120.200 -0.085 0.000 2.150 299 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 299 E C 0.786 177.348 176.600 -0.062 0.000 0.985 299 E CA 0.923 57.299 56.400 -0.040 0.000 0.814 299 E CB 0.117 29.835 29.700 0.031 0.000 0.752 299 E HN 0.554 nan 8.360 nan 0.000 0.466 300 I N -2.662 117.843 120.570 -0.109 0.000 3.002 300 I HA 0.475 4.645 4.170 -0.000 0.000 0.310 300 I C -2.731 173.311 176.117 -0.126 0.000 1.087 300 I CA -3.082 58.129 61.300 -0.149 0.000 1.017 300 I CB 2.149 39.993 38.000 -0.260 0.000 1.226 300 I HN -0.371 nan 8.210 nan 0.000 0.443 301 P HA 0.022 nan 4.420 nan 0.000 0.262 301 P C 0.428 177.693 177.300 -0.058 0.000 1.182 301 P CA 0.286 63.344 63.100 -0.070 0.000 0.761 301 P CB 0.968 32.642 31.700 -0.043 0.000 0.795 302 A N 4.999 127.794 122.820 -0.042 0.000 1.978 302 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 302 A C 1.808 179.408 177.584 0.027 0.000 1.170 302 A CA 1.607 53.634 52.037 -0.018 0.000 0.636 302 A CB -0.870 18.123 19.000 -0.012 0.000 0.810 302 A HN 0.668 nan 8.150 nan 0.000 0.448 303 E N 0.444 120.670 120.200 0.043 0.000 2.409 303 E HA -0.163 4.186 4.350 -0.000 0.000 0.198 303 E C 1.187 177.900 176.600 0.189 0.000 1.024 303 E CA 1.268 57.737 56.400 0.114 0.000 0.861 303 E CB -0.256 29.497 29.700 0.088 0.000 0.788 303 E HN 0.670 nan 8.360 nan 0.000 0.521 304 K N 0.536 120.955 120.400 0.033 0.000 2.367 304 K HA 0.136 4.455 4.320 -0.000 0.000 0.194 304 K C 1.964 178.438 176.600 -0.210 0.000 1.027 304 K CA 0.215 56.427 56.287 -0.125 0.000 1.075 304 K CB 0.563 32.967 32.500 -0.160 0.000 0.845 304 K HN -0.079 nan 8.250 nan 0.000 0.529 305 V N 1.994 121.872 119.914 -0.061 0.000 2.332 305 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 305 V C 2.081 178.126 176.094 -0.082 0.000 1.055 305 V CA 2.009 64.266 62.300 -0.073 0.000 1.038 305 V CB -0.684 31.131 31.823 -0.013 0.000 0.651 305 V HN 0.365 nan 8.190 nan 0.000 0.450 306 F N 0.106 120.014 119.950 -0.071 0.000 2.216 306 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 306 F C 1.884 177.636 175.800 -0.080 0.000 1.085 306 F CA 1.419 59.378 58.000 -0.068 0.000 1.326 306 F CB -1.095 37.874 39.000 -0.051 0.000 1.027 306 F HN 0.093 nan 8.300 nan 0.000 0.497 307 L N 0.872 121.434 121.223 -1.102 0.000 2.027 307 L HA -0.093 4.247 4.340 -0.000 0.000 0.206 307 L C 3.026 179.651 176.870 -0.408 0.000 1.074 307 L CA 1.251 55.610 54.840 -0.800 0.000 0.745 307 L CB -1.252 40.347 42.059 -0.766 0.000 0.898 307 L HN 0.322 nan 8.230 nan 0.000 0.433 308 A N -0.494 122.118 122.820 -0.346 0.000 1.902 308 A HA -0.280 4.039 4.320 -0.000 0.000 0.217 308 A C 2.285 179.717 177.584 -0.253 0.000 1.181 308 A CA 1.861 53.732 52.037 -0.277 0.000 0.623 308 A CB -0.627 18.233 19.000 -0.234 0.000 0.818 308 A HN 0.509 nan 8.150 nan 0.000 0.443 309 Q N -0.141 119.546 119.800 -0.189 0.000 2.061 309 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 309 Q C 1.958 177.874 176.000 -0.140 0.000 0.984 309 Q CA 2.122 57.842 55.803 -0.138 0.000 0.846 309 Q CB -0.153 28.549 28.738 -0.061 0.000 0.902 309 Q HN 0.675 nan 8.270 nan 0.000 0.421 310 K N -0.133 120.194 120.400 -0.121 0.000 2.103 310 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 310 K C 2.188 178.701 176.600 -0.145 0.000 1.052 310 K CA 1.195 57.423 56.287 -0.098 0.000 0.945 310 K CB -0.190 32.283 32.500 -0.044 0.000 0.722 310 K HN 0.308 nan 8.250 nan 0.000 0.443 311 M N 1.273 120.753 119.600 -0.200 0.000 2.086 311 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 311 M C 1.892 178.007 176.300 -0.309 0.000 1.067 311 M CA 1.764 56.927 55.300 -0.228 0.000 1.116 311 M CB -0.285 32.161 32.600 -0.256 0.000 1.348 311 M HN 0.127 nan 8.290 nan 0.000 0.407 312 I N 0.104 120.423 120.570 -0.418 0.000 2.202 312 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 312 I C 2.371 178.339 176.117 -0.248 0.000 1.091 312 I CA 1.070 62.023 61.300 -0.579 0.000 1.368 312 I CB -0.358 37.291 38.000 -0.586 0.000 1.058 312 I HN 0.255 nan 8.210 nan 0.000 0.410 313 I N 0.671 121.141 120.570 -0.167 0.000 2.163 313 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 313 I C 2.711 178.785 176.117 -0.071 0.000 1.085 313 I CA 1.703 62.948 61.300 -0.093 0.000 1.347 313 I CB -1.042 36.911 38.000 -0.078 0.000 1.044 313 I HN 0.280 nan 8.210 nan 0.000 0.408 314 G N 0.771 109.520 108.800 -0.086 0.000 2.476 314 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 314 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 314 G C 1.829 176.707 174.900 -0.037 0.000 1.164 314 G CA 0.642 45.703 45.100 -0.066 0.000 0.768 314 G HN 0.312 nan 8.290 nan 0.000 0.560 315 R N -0.766 119.722 120.500 -0.020 0.000 2.115 315 R HA -0.002 4.337 4.340 -0.000 0.000 0.226 315 R C 2.692 179.051 176.300 0.099 0.000 1.100 315 R CA 1.055 57.198 56.100 0.071 0.000 0.980 315 R CB -0.560 29.859 30.300 0.199 0.000 0.875 315 R HN 0.395 nan 8.270 nan 0.000 0.445 316 C N 0.637 119.997 119.300 0.099 0.000 2.446 316 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 316 C C 2.187 177.177 174.990 0.001 0.000 1.275 316 C CA 0.713 59.771 59.018 0.066 0.000 1.727 316 C CB -1.185 26.587 27.740 0.053 0.000 2.010 316 C HN 0.573 nan 8.230 nan 0.000 0.486 317 N N 0.211 118.899 118.700 -0.020 0.000 2.104 317 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 317 N C 2.011 177.479 175.510 -0.071 0.000 1.024 317 N CA 1.009 54.031 53.050 -0.047 0.000 0.853 317 N CB -0.270 38.188 38.487 -0.048 0.000 1.008 317 N HN 0.507 nan 8.380 nan 0.000 0.424 318 R N 0.961 121.431 120.500 -0.050 0.000 2.096 318 R HA -0.063 4.276 4.340 -0.000 0.000 0.235 318 R C 1.869 178.137 176.300 -0.053 0.000 1.127 318 R CA 1.372 57.439 56.100 -0.055 0.000 0.968 318 R CB -0.057 30.228 30.300 -0.026 0.000 0.861 318 R HN 0.170 nan 8.270 nan 0.000 0.440 319 A N -0.542 122.260 122.820 -0.029 0.000 2.132 319 A HA 0.201 4.521 4.320 -0.000 0.000 0.213 319 A C 1.408 178.977 177.584 -0.025 0.000 1.154 319 A CA 0.719 52.743 52.037 -0.021 0.000 0.753 319 A CB -0.144 18.851 19.000 -0.008 0.000 0.826 319 A HN 0.541 nan 8.150 nan 0.000 0.469 320 G N -0.477 108.297 108.800 -0.043 0.000 2.176 320 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 320 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 320 G C 0.058 174.992 174.900 0.057 0.000 1.024 320 G CA 0.689 45.781 45.100 -0.012 0.000 0.755 320 G HN 0.573 nan 8.290 nan 0.000 0.507 321 K N 0.564 120.966 120.400 0.004 0.000 2.159 321 K HA 0.460 4.780 4.320 -0.000 0.000 0.266 321 K C -2.466 174.056 176.600 -0.131 0.000 0.975 321 K CA -2.178 54.086 56.287 -0.039 0.000 0.865 321 K CB 1.736 34.214 32.500 -0.037 0.000 1.087 321 K HN -0.054 nan 8.250 nan 0.000 0.446 322 P HA -0.067 nan 4.420 nan 0.000 0.264 322 P C -1.021 176.164 177.300 -0.192 0.000 1.183 322 P CA -0.148 62.733 63.100 -0.365 0.000 0.763 322 P CB 0.615 31.974 31.700 -0.569 0.000 0.807 323 V N 5.369 125.194 119.914 -0.149 0.000 2.709 323 V HA 0.513 4.633 4.120 -0.000 0.000 0.308 323 V C -0.795 175.226 176.094 -0.122 0.000 1.062 323 V CA -0.868 61.365 62.300 -0.110 0.000 0.901 323 V CB 1.443 33.227 31.823 -0.064 0.000 1.003 323 V HN 0.286 nan 8.190 nan 0.000 0.425 324 I N 6.194 126.673 120.570 -0.151 0.000 2.404 324 I HA 0.449 4.619 4.170 -0.000 0.000 0.293 324 I C -0.185 175.850 176.117 -0.136 0.000 0.992 324 I CA -0.374 60.829 61.300 -0.162 0.000 1.149 324 I CB 1.626 39.461 38.000 -0.275 0.000 1.315 324 I HN 0.634 nan 8.210 nan 0.000 0.446 325 C N 6.358 125.600 119.300 -0.097 0.000 2.307 325 C HA 0.874 5.333 4.460 -0.000 0.000 0.340 325 C C 0.367 175.312 174.990 -0.075 0.000 1.275 325 C CA -0.101 58.869 59.018 -0.079 0.000 1.811 325 C CB -0.423 27.287 27.740 -0.050 0.000 2.372 325 C HN 0.873 nan 8.230 nan 0.000 0.531 326 A N 4.426 127.200 122.820 -0.077 0.000 2.454 326 A HA 0.920 5.239 4.320 -0.000 0.000 0.302 326 A C -0.196 177.365 177.584 -0.038 0.000 1.079 326 A CA -0.171 51.828 52.037 -0.063 0.000 0.731 326 A CB 1.099 20.042 19.000 -0.095 0.000 1.299 326 A HN 1.402 nan 8.150 nan 0.000 0.413 327 T N 1.463 116.008 114.554 -0.016 0.000 0.660 327 T HA -0.076 4.274 4.350 -0.000 0.000 0.762 327 T C -0.000 174.703 174.700 0.005 0.000 0.990 327 T CA 0.619 62.718 62.100 -0.001 0.000 4.021 327 T CB -1.367 67.496 68.868 -0.009 0.000 2.273 327 T HN 1.494 nan 8.240 nan 0.000 0.396 328 Q N 0.236 120.045 119.800 0.016 0.000 2.481 328 Q HA -0.256 4.084 4.340 -0.000 0.000 0.258 328 Q C 1.532 177.541 176.000 0.015 0.000 0.961 328 Q CA 1.426 57.240 55.803 0.019 0.000 1.121 328 Q CB -1.147 27.602 28.738 0.017 0.000 1.503 328 Q HN 0.846 nan 8.270 nan 0.000 0.544 329 M N -0.521 119.087 119.600 0.013 0.000 2.159 329 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 329 M C 1.223 177.531 176.300 0.013 0.000 1.063 329 M CA 1.534 56.840 55.300 0.011 0.000 1.110 329 M CB 0.111 32.717 32.600 0.009 0.000 1.374 329 M HN 0.259 nan 8.290 nan 0.000 0.411 330 L N -0.659 120.576 121.223 0.020 0.000 3.193 330 L HA 0.166 4.505 4.340 -0.000 0.000 0.305 330 L C 1.160 178.047 176.870 0.027 0.000 1.299 330 L CA -0.349 54.504 54.840 0.021 0.000 0.904 330 L CB 0.310 42.385 42.059 0.026 0.000 1.331 330 L HN 0.055 nan 8.230 nan 0.000 0.588 331 E N 1.297 121.512 120.200 0.026 0.000 2.097 331 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 331 E C 2.168 178.789 176.600 0.036 0.000 1.000 331 E CA 2.092 58.511 56.400 0.032 0.000 0.804 331 E CB 0.193 29.910 29.700 0.028 0.000 0.740 331 E HN 0.502 nan 8.360 nan 0.000 0.454 332 S N -0.376 115.340 115.700 0.027 0.000 2.442 332 S HA -0.172 4.298 4.470 -0.000 0.000 0.236 332 S C 1.848 176.471 174.600 0.038 0.000 1.007 332 S CA 1.237 59.453 58.200 0.026 0.000 0.965 332 S CB -0.408 62.798 63.200 0.011 0.000 0.773 332 S HN 0.328 nan 8.310 nan 0.000 0.504 333 M N 0.578 120.202 119.600 0.040 0.000 2.686 333 M HA 0.172 4.652 4.480 -0.000 0.000 0.246 333 M C 1.546 177.934 176.300 0.148 0.000 1.096 333 M CA 0.602 55.941 55.300 0.065 0.000 1.076 333 M CB -0.645 31.982 32.600 0.046 0.000 1.504 333 M HN 0.345 nan 8.290 nan 0.000 0.524 334 I N 0.373 121.010 120.570 0.111 0.000 2.286 334 I HA -0.283 3.886 4.170 -0.000 0.000 0.248 334 I C 2.190 178.397 176.117 0.151 0.000 1.115 334 I CA 1.238 62.604 61.300 0.111 0.000 1.392 334 I CB -0.173 37.867 38.000 0.068 0.000 1.065 334 I HN 0.244 nan 8.210 nan 0.000 0.418 335 K N 0.089 120.585 120.400 0.160 0.000 2.425 335 K HA 0.285 4.605 4.320 -0.000 0.000 0.201 335 K C 0.098 176.858 176.600 0.267 0.000 1.128 335 K CA 0.290 56.688 56.287 0.185 0.000 1.000 335 K CB 0.815 33.374 32.500 0.098 0.000 0.961 335 K HN 0.216 nan 8.250 nan 0.000 0.555 336 K N 1.246 121.731 120.400 0.141 0.000 2.318 336 K HA 0.257 4.576 4.320 -0.000 0.000 0.249 336 K C -2.196 174.107 176.600 -0.495 0.000 0.942 336 K CA -1.862 54.370 56.287 -0.091 0.000 0.808 336 K CB 2.344 34.806 32.500 -0.063 0.000 1.189 336 K HN -0.292 nan 8.250 nan 0.000 0.428 337 P HA -0.017 nan 4.420 nan 0.000 0.241 337 P C -0.491 176.573 177.300 -0.394 0.000 1.191 337 P CA 0.552 63.038 63.100 -1.023 0.000 0.771 337 P CB 0.579 31.763 31.700 -0.861 0.000 0.929 338 R N 0.367 120.717 120.500 -0.250 0.000 2.744 338 R HA 0.486 4.826 4.340 -0.000 0.000 0.279 338 R C -2.628 173.621 176.300 -0.086 0.000 0.977 338 R CA -2.116 53.906 56.100 -0.130 0.000 0.906 338 R CB 2.102 32.342 30.300 -0.100 0.000 1.197 338 R HN -0.023 nan 8.270 nan 0.000 0.463 339 P HA 0.082 nan 4.420 nan 0.000 0.278 339 P C -0.350 176.935 177.300 -0.025 0.000 1.266 339 P CA -0.394 62.688 63.100 -0.029 0.000 0.807 339 P CB 0.749 32.439 31.700 -0.015 0.000 1.094 340 T N -1.120 113.424 114.554 -0.016 0.000 2.788 340 T HA 0.183 4.533 4.350 -0.000 0.000 0.287 340 T C 1.474 176.165 174.700 -0.015 0.000 1.007 340 T CA -0.567 61.524 62.100 -0.015 0.000 1.005 340 T CB 0.384 69.246 68.868 -0.010 0.000 1.012 340 T HN 0.188 nan 8.240 nan 0.000 0.530 341 R N 0.877 121.368 120.500 -0.016 0.000 2.115 341 R HA 0.045 4.385 4.340 -0.000 0.000 0.230 341 R C 2.642 178.932 176.300 -0.016 0.000 1.111 341 R CA 1.408 57.498 56.100 -0.017 0.000 0.976 341 R CB -1.790 28.499 30.300 -0.018 0.000 0.870 341 R HN 0.851 nan 8.270 nan 0.000 0.445 342 A N 1.303 124.114 122.820 -0.015 0.000 1.930 342 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 342 A C 2.028 179.605 177.584 -0.012 0.000 1.175 342 A CA 1.310 53.338 52.037 -0.016 0.000 0.627 342 A CB -0.261 18.730 19.000 -0.015 0.000 0.815 342 A HN 0.348 nan 8.150 nan 0.000 0.443 343 E N -0.613 119.582 120.200 -0.008 0.000 2.072 343 E HA -0.076 4.273 4.350 -0.000 0.000 0.191 343 E C 2.160 178.758 176.600 -0.004 0.000 0.985 343 E CA 0.758 57.156 56.400 -0.004 0.000 0.801 343 E CB -0.373 29.327 29.700 -0.001 0.000 0.750 343 E HN 0.592 nan 8.360 nan 0.000 0.452 344 G N 0.616 109.412 108.800 -0.007 0.000 2.440 344 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.218 344 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.218 344 G C 1.645 176.541 174.900 -0.007 0.000 1.154 344 G CA 1.028 46.124 45.100 -0.007 0.000 0.767 344 G HN 0.290 nan 8.290 nan 0.000 0.552 345 S N 0.385 116.079 115.700 -0.010 0.000 2.356 345 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 345 S C 2.092 176.688 174.600 -0.007 0.000 1.032 345 S CA 2.046 60.240 58.200 -0.011 0.000 1.005 345 S CB -0.485 62.705 63.200 -0.018 0.000 0.867 345 S HN 0.415 nan 8.310 nan 0.000 0.449 346 D N 0.245 120.641 120.400 -0.007 0.000 2.104 346 D HA -0.099 4.541 4.640 -0.000 0.000 0.194 346 D C 1.906 178.206 176.300 0.001 0.000 0.994 346 D CA 1.609 55.607 54.000 -0.003 0.000 0.830 346 D CB -0.351 40.448 40.800 -0.003 0.000 0.959 346 D HN 0.310 nan 8.370 nan 0.000 0.452 347 V N 0.727 120.642 119.914 0.002 0.000 2.295 347 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 347 V C 2.594 178.691 176.094 0.006 0.000 1.049 347 V CA 1.837 64.139 62.300 0.004 0.000 1.024 347 V CB -1.029 30.798 31.823 0.007 0.000 0.648 347 V HN 0.346 nan 8.190 nan 0.000 0.447 348 A N 0.242 123.065 122.820 0.005 0.000 1.902 348 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 348 A C 2.098 179.693 177.584 0.017 0.000 1.181 348 A CA 2.018 54.061 52.037 0.010 0.000 0.623 348 A CB -0.661 18.343 19.000 0.007 0.000 0.818 348 A HN 0.595 nan 8.150 nan 0.000 0.443 349 N N 0.162 118.871 118.700 0.015 0.000 2.244 349 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 349 N C 1.907 177.427 175.510 0.017 0.000 1.016 349 N CA 1.250 54.313 53.050 0.021 0.000 0.866 349 N CB -0.357 38.140 38.487 0.016 0.000 0.980 349 N HN 0.481 nan 8.380 nan 0.000 0.430 350 A N 0.834 123.660 122.820 0.009 0.000 1.902 350 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 350 A C 2.516 180.101 177.584 0.002 0.000 1.181 350 A CA 1.155 53.192 52.037 0.001 0.000 0.623 350 A CB -0.671 18.326 19.000 -0.005 0.000 0.818 350 A HN 0.089 nan 8.150 nan 0.000 0.443 351 V N 0.133 120.053 119.914 0.010 0.000 2.307 351 V HA -0.243 3.877 4.120 -0.000 0.000 0.245 351 V C 2.559 178.664 176.094 0.018 0.000 1.045 351 V CA 1.910 64.219 62.300 0.016 0.000 1.024 351 V CB -0.793 31.042 31.823 0.020 0.000 0.651 351 V HN 0.569 nan 8.190 nan 0.000 0.449 352 L N -0.167 121.072 121.223 0.026 0.000 2.079 352 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 352 L C 2.353 179.231 176.870 0.013 0.000 1.081 352 L CA 1.511 56.372 54.840 0.036 0.000 0.752 352 L CB -0.790 41.311 42.059 0.069 0.000 0.896 352 L HN 0.338 nan 8.230 nan 0.000 0.433 353 D N 0.057 120.460 120.400 0.005 0.000 2.149 353 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 353 D C 1.651 177.936 176.300 -0.025 0.000 0.990 353 D CA 1.634 55.625 54.000 -0.014 0.000 0.839 353 D CB -0.014 40.777 40.800 -0.015 0.000 0.948 353 D HN 0.457 nan 8.370 nan 0.000 0.460 354 G N -0.846 107.945 108.800 -0.015 0.000 2.155 354 G HA2 -0.027 3.932 3.960 -0.000 0.000 0.130 354 G HA3 -0.027 3.932 3.960 -0.000 0.000 0.130 354 G C 0.284 175.175 174.900 -0.014 0.000 1.027 354 G CA 0.075 45.167 45.100 -0.013 0.000 0.705 354 G HN 0.531 nan 8.290 nan 0.000 0.496 355 A N 0.479 123.289 122.820 -0.017 0.000 2.520 355 A HA 0.480 4.800 4.320 -0.000 0.000 0.245 355 A C 1.280 178.856 177.584 -0.014 0.000 1.072 355 A CA 0.918 52.938 52.037 -0.027 0.000 0.761 355 A CB 0.234 19.216 19.000 -0.030 0.000 1.004 355 A HN 0.290 nan 8.150 nan 0.000 0.499 356 D N 0.853 121.234 120.400 -0.031 0.000 2.144 356 D HA -0.051 4.589 4.640 -0.000 0.000 0.200 356 D C 0.175 176.475 176.300 -0.000 0.000 0.978 356 D CA 1.330 55.320 54.000 -0.016 0.000 0.833 356 D CB 0.116 40.872 40.800 -0.072 0.000 0.961 356 D HN 0.541 nan 8.370 nan 0.000 0.470 357 C N 0.463 119.747 119.300 -0.026 0.000 2.898 357 C HA 0.613 5.073 4.460 -0.000 0.000 0.304 357 C C -0.141 174.833 174.990 -0.026 0.000 1.237 357 C CA -1.024 57.986 59.018 -0.013 0.000 1.529 357 C CB 1.938 29.664 27.740 -0.024 0.000 2.021 357 C HN 0.177 nan 8.230 nan 0.000 0.474 358 I N 0.283 120.849 120.570 -0.007 0.000 2.846 358 I HA 0.813 4.982 4.170 -0.000 0.000 0.307 358 I C -0.861 175.256 176.117 -0.001 0.000 1.053 358 I CA -0.819 60.475 61.300 -0.010 0.000 1.050 358 I CB 1.818 39.820 38.000 0.003 0.000 1.239 358 I HN 0.691 nan 8.210 nan 0.000 0.439 359 M N 4.433 124.030 119.600 -0.004 0.000 2.591 359 M HA 0.651 5.130 4.480 -0.000 0.000 0.306 359 M C -2.031 174.286 176.300 0.027 0.000 1.190 359 M CA -0.717 54.591 55.300 0.014 0.000 0.889 359 M CB 2.713 35.308 32.600 -0.009 0.000 1.728 359 M HN 0.638 nan 8.290 nan 0.000 0.458 360 L N 1.547 122.798 121.223 0.046 0.000 2.386 360 L HA 0.557 4.897 4.340 -0.000 0.000 0.271 360 L C -0.343 176.567 176.870 0.066 0.000 0.993 360 L CA -0.301 54.570 54.840 0.051 0.000 0.819 360 L CB 2.278 44.369 42.059 0.054 0.000 1.294 360 L HN 0.790 nan 8.230 nan 0.000 0.414 361 S N 0.827 116.565 115.700 0.063 0.000 3.290 361 S HA 0.180 4.650 4.470 -0.000 0.000 0.176 361 S C 1.531 176.173 174.600 0.070 0.000 0.815 361 S CA 0.399 58.644 58.200 0.074 0.000 1.075 361 S CB -0.145 63.096 63.200 0.069 0.000 0.879 361 S HN 0.869 nan 8.310 nan 0.000 0.795 362 G N 1.203 110.040 108.800 0.062 0.000 2.462 362 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.220 362 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.220 362 G C 0.997 175.930 174.900 0.055 0.000 1.121 362 G CA 1.107 46.239 45.100 0.054 0.000 0.758 362 G HN 0.529 nan 8.290 nan 0.000 0.559 363 E N 0.088 120.323 120.200 0.059 0.000 2.118 363 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 363 E C 2.755 179.396 176.600 0.068 0.000 0.992 363 E CA 1.810 58.250 56.400 0.067 0.000 0.804 363 E CB -0.197 29.542 29.700 0.064 0.000 0.741 363 E HN 0.613 nan 8.360 nan 0.000 0.458 364 T N -2.914 111.678 114.554 0.063 0.000 3.023 364 T HA 0.363 4.713 4.350 -0.000 0.000 0.249 364 T C 1.958 176.693 174.700 0.058 0.000 1.050 364 T CA 0.248 62.384 62.100 0.060 0.000 1.088 364 T CB 0.162 69.066 68.868 0.061 0.000 0.946 364 T HN 0.131 nan 8.240 nan 0.000 0.480 365 A N 2.176 125.034 122.820 0.064 0.000 1.897 365 A HA 0.203 4.522 4.320 -0.000 0.000 0.215 365 A C 2.115 179.729 177.584 0.049 0.000 1.181 365 A CA 1.172 53.250 52.037 0.068 0.000 0.620 365 A CB -0.205 18.843 19.000 0.080 0.000 0.821 365 A HN 0.499 nan 8.150 nan 0.000 0.443 366 K N -1.842 118.579 120.400 0.036 0.000 2.562 366 K HA 0.217 4.537 4.320 -0.000 0.000 0.218 366 K C 0.904 177.509 176.600 0.008 0.000 1.374 366 K CA 0.338 56.636 56.287 0.017 0.000 0.996 366 K CB 0.922 33.426 32.500 0.007 0.000 1.127 366 K HN 0.361 nan 8.250 nan 0.000 0.603 367 G N 0.678 109.490 108.800 0.021 0.000 2.684 367 G HA2 -0.039 3.920 3.960 -0.000 0.000 0.255 367 G HA3 -0.039 3.920 3.960 -0.000 0.000 0.255 367 G C -0.026 174.854 174.900 -0.034 0.000 1.219 367 G CA -0.229 44.884 45.100 0.021 0.000 0.901 367 G HN -0.003 nan 8.290 nan 0.000 0.548 368 D N -1.175 119.177 120.400 -0.081 0.000 2.347 368 D HA 0.029 4.669 4.640 -0.000 0.000 0.213 368 D C -0.071 175.858 176.300 -0.618 0.000 0.985 368 D CA 1.023 54.810 54.000 -0.355 0.000 0.879 368 D CB 0.226 40.750 40.800 -0.461 0.000 0.919 368 D HN 0.377 nan 8.370 nan 0.000 0.526 369 Y N -0.499 119.810 120.300 0.016 0.000 2.555 369 Y HA 0.211 4.761 4.550 -0.000 0.000 0.317 369 Y C -1.703 174.208 175.900 0.019 0.000 0.928 369 Y CA -1.605 56.505 58.100 0.017 0.000 1.116 369 Y CB 1.244 39.714 38.460 0.015 0.000 1.169 369 Y HN -0.091 nan 8.280 nan 0.000 0.627 370 P HA -0.163 nan 4.420 nan 0.000 0.216 370 P C 1.433 178.781 177.300 0.080 0.000 1.153 370 P CA 1.455 64.603 63.100 0.079 0.000 0.848 370 P CB 0.627 32.355 31.700 0.046 0.000 0.787 371 L N -0.522 120.748 121.223 0.078 0.000 2.056 371 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 371 L C 2.596 179.511 176.870 0.075 0.000 1.078 371 L CA 1.630 56.510 54.840 0.066 0.000 0.749 371 L CB -1.172 40.922 42.059 0.059 0.000 0.901 371 L HN -0.065 nan 8.230 nan 0.000 0.433 372 E N 0.534 120.800 120.200 0.110 0.000 2.110 372 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 372 E C 2.274 178.915 176.600 0.068 0.000 0.988 372 E CA 1.364 57.816 56.400 0.087 0.000 0.804 372 E CB -0.305 29.450 29.700 0.092 0.000 0.745 372 E HN 0.452 nan 8.360 nan 0.000 0.458 373 A N 0.423 123.294 122.820 0.084 0.000 1.877 373 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 373 A C 2.471 180.091 177.584 0.060 0.000 1.186 373 A CA 1.471 53.548 52.037 0.067 0.000 0.620 373 A CB -0.778 18.267 19.000 0.075 0.000 0.822 373 A HN 0.147 nan 8.150 nan 0.000 0.443 374 V N 0.098 120.047 119.914 0.059 0.000 2.287 374 V HA -0.308 3.811 4.120 -0.000 0.000 0.248 374 V C 2.625 178.761 176.094 0.070 0.000 1.053 374 V CA 2.383 64.715 62.300 0.054 0.000 1.027 374 V CB -0.907 30.936 31.823 0.035 0.000 0.646 374 V HN 0.534 nan 8.190 nan 0.000 0.447 375 R N -0.853 119.683 120.500 0.060 0.000 2.105 375 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 375 R C 2.230 178.598 176.300 0.112 0.000 1.135 375 R CA 1.866 58.013 56.100 0.078 0.000 0.967 375 R CB -0.433 29.898 30.300 0.051 0.000 0.861 375 R HN 0.407 nan 8.270 nan 0.000 0.442 376 M N 0.947 120.592 119.600 0.075 0.000 2.156 376 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 376 M C 1.893 178.229 176.300 0.060 0.000 1.067 376 M CA 1.716 57.050 55.300 0.057 0.000 1.131 376 M CB -0.108 32.510 32.600 0.031 0.000 1.368 376 M HN 0.031 nan 8.290 nan 0.000 0.416 377 Q N -1.063 118.778 119.800 0.068 0.000 2.096 377 Q HA -0.266 4.073 4.340 -0.000 0.000 0.204 377 Q C 2.241 178.289 176.000 0.080 0.000 0.982 377 Q CA 1.911 57.752 55.803 0.063 0.000 0.850 377 Q CB -0.694 28.081 28.738 0.060 0.000 0.901 377 Q HN 0.702 nan 8.270 nan 0.000 0.422 378 H N 0.855 119.938 119.070 0.023 0.000 2.290 378 H HA -0.137 4.418 4.556 -0.000 0.000 0.298 378 H C 2.086 177.431 175.328 0.027 0.000 1.087 378 H CA 1.467 57.533 56.048 0.029 0.000 1.291 378 H CB -0.075 29.705 29.762 0.030 0.000 1.369 378 H HN 0.199 nan 8.280 nan 0.000 0.492 379 L N 0.263 121.492 121.223 0.011 0.000 2.017 379 L HA -0.206 4.133 4.340 -0.000 0.000 0.208 379 L C 2.918 179.747 176.870 -0.067 0.000 1.073 379 L CA 1.247 56.059 54.840 -0.046 0.000 0.745 379 L CB -0.347 41.732 42.059 0.033 0.000 0.894 379 L HN 0.274 nan 8.230 nan 0.000 0.432 380 I N -0.333 120.219 120.570 -0.029 0.000 2.252 380 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 380 I C 2.821 178.919 176.117 -0.033 0.000 1.102 380 I CA 1.029 62.316 61.300 -0.023 0.000 1.385 380 I CB -0.538 37.459 38.000 -0.005 0.000 1.064 380 I HN 0.183 nan 8.210 nan 0.000 0.414 381 A N 1.111 123.905 122.820 -0.043 0.000 1.883 381 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 381 A C 2.440 179.991 177.584 -0.055 0.000 1.186 381 A CA 1.658 53.673 52.037 -0.037 0.000 0.624 381 A CB -0.616 18.369 19.000 -0.025 0.000 0.822 381 A HN 0.320 nan 8.150 nan 0.000 0.444 382 R N -0.661 119.766 120.500 -0.123 0.000 2.081 382 R HA -0.103 4.236 4.340 -0.000 0.000 0.235 382 R C 2.086 178.359 176.300 -0.045 0.000 1.131 382 R CA 1.316 57.351 56.100 -0.107 0.000 0.960 382 R CB -0.317 29.875 30.300 -0.180 0.000 0.856 382 R HN 0.568 nan 8.270 nan 0.000 0.436 383 E N 0.613 120.787 120.200 -0.043 0.000 2.051 383 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 383 E C 1.982 178.585 176.600 0.005 0.000 0.991 383 E CA 1.350 57.738 56.400 -0.019 0.000 0.799 383 E CB -0.149 29.537 29.700 -0.023 0.000 0.748 383 E HN 0.315 nan 8.360 nan 0.000 0.449 384 A N 1.271 124.096 122.820 0.008 0.000 1.968 384 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 384 A C 1.996 179.613 177.584 0.054 0.000 1.169 384 A CA 1.262 53.317 52.037 0.029 0.000 0.638 384 A CB -0.371 18.643 19.000 0.022 0.000 0.812 384 A HN 0.179 nan 8.150 nan 0.000 0.446 385 E N -0.048 120.185 120.200 0.055 0.000 2.077 385 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 385 E C 2.227 178.936 176.600 0.181 0.000 0.989 385 E CA 1.086 57.548 56.400 0.102 0.000 0.800 385 E CB -0.276 29.476 29.700 0.086 0.000 0.746 385 E HN 0.626 nan 8.360 nan 0.000 0.452 386 A N 1.093 123.994 122.820 0.135 0.000 1.969 386 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 386 A C 2.260 179.959 177.584 0.191 0.000 1.169 386 A CA 1.410 53.546 52.037 0.165 0.000 0.635 386 A CB -0.362 18.683 19.000 0.075 0.000 0.810 386 A HN 0.272 nan 8.150 nan 0.000 0.445 387 A N -0.914 121.985 122.820 0.132 0.000 2.238 387 A HA 0.369 4.688 4.320 -0.000 0.000 0.208 387 A C 1.088 178.826 177.584 0.256 0.000 1.177 387 A CA -0.071 52.049 52.037 0.139 0.000 0.804 387 A CB -0.535 18.503 19.000 0.064 0.000 0.823 387 A HN 0.560 nan 8.150 nan 0.000 0.482 388 M N -0.976 118.703 119.600 0.132 0.000 2.250 388 M HA 0.096 4.576 4.480 -0.000 0.000 0.325 388 M C 0.042 176.340 176.300 -0.004 0.000 1.084 388 M CA 0.560 55.844 55.300 -0.027 0.000 1.161 388 M CB 0.163 32.548 32.600 -0.359 0.000 1.481 388 M HN 0.387 nan 8.290 nan 0.000 0.449 389 F N 3.084 122.848 119.950 -0.310 0.000 2.509 389 F HA 0.166 4.693 4.527 -0.000 0.000 0.344 389 F C 1.204 176.871 175.800 -0.221 0.000 1.197 389 F CA -0.666 57.072 58.000 -0.437 0.000 1.294 389 F CB -0.045 38.622 39.000 -0.554 0.000 1.643 389 F HN 0.665 nan 8.300 nan 0.000 0.596 390 H N 2.091 121.235 119.070 0.124 0.000 2.353 390 H HA -0.213 4.343 4.556 -0.000 0.000 0.298 390 H C 2.324 177.552 175.328 -0.168 0.000 1.103 390 H CA 1.577 57.613 56.048 -0.021 0.000 1.293 390 H CB -0.007 29.672 29.762 -0.138 0.000 1.372 390 H HN 0.564 nan 8.280 nan 0.000 0.501 391 R N 1.394 121.811 120.500 -0.139 0.000 2.083 391 R HA -0.120 4.220 4.340 -0.000 0.000 0.237 391 R C 2.105 178.271 176.300 -0.222 0.000 1.137 391 R CA 1.288 57.255 56.100 -0.223 0.000 0.951 391 R CB 0.114 30.310 30.300 -0.173 0.000 0.851 391 R HN 0.200 nan 8.270 nan 0.000 0.434 392 K N 0.460 120.520 120.400 -0.566 0.000 2.062 392 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 392 K C 2.120 178.590 176.600 -0.217 0.000 1.051 392 K CA 0.721 56.698 56.287 -0.517 0.000 0.941 392 K CB -0.357 31.585 32.500 -0.930 0.000 0.719 392 K HN 0.152 nan 8.250 nan 0.000 0.440 393 L N 0.972 122.108 121.223 -0.145 0.000 2.012 393 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 393 L C 2.153 179.082 176.870 0.099 0.000 1.073 393 L CA 1.567 56.394 54.840 -0.021 0.000 0.748 393 L CB -0.773 41.290 42.059 0.008 0.000 0.891 393 L HN 0.067 nan 8.230 nan 0.000 0.431 394 F N 0.581 120.576 119.950 0.075 0.000 2.102 394 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 394 F C 2.345 178.218 175.800 0.121 0.000 1.105 394 F CA 2.012 60.130 58.000 0.197 0.000 1.239 394 F CB -0.254 38.959 39.000 0.354 0.000 0.991 394 F HN 0.231 nan 8.300 nan 0.000 0.474 395 E N -0.005 120.301 120.200 0.177 0.000 2.070 395 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 395 E C 2.095 178.660 176.600 -0.059 0.000 1.004 395 E CA 1.906 58.328 56.400 0.037 0.000 0.805 395 E CB -0.276 29.439 29.700 0.025 0.000 0.744 395 E HN 0.610 nan 8.360 nan 0.000 0.451 396 E N 0.335 120.500 120.200 -0.057 0.000 2.112 396 E HA -0.105 4.244 4.350 -0.000 0.000 0.190 396 E C 2.236 178.798 176.600 -0.065 0.000 0.979 396 E CA 0.433 56.794 56.400 -0.065 0.000 0.814 396 E CB 0.031 29.686 29.700 -0.076 0.000 0.762 396 E HN 0.229 nan 8.360 nan 0.000 0.460 397 L N 0.796 121.979 121.223 -0.067 0.000 2.017 397 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 397 L C 2.634 179.497 176.870 -0.012 0.000 1.073 397 L CA 1.050 55.857 54.840 -0.054 0.000 0.745 397 L CB -0.485 41.541 42.059 -0.055 0.000 0.894 397 L HN 0.131 nan 8.230 nan 0.000 0.432 398 A N 0.154 122.899 122.820 -0.126 0.000 1.883 398 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 398 A C 2.335 179.875 177.584 -0.072 0.000 1.186 398 A CA 2.061 54.003 52.037 -0.160 0.000 0.624 398 A CB -0.539 18.244 19.000 -0.362 0.000 0.822 398 A HN 0.292 nan 8.150 nan 0.000 0.444 399 R N 0.133 120.593 120.500 -0.068 0.000 2.083 399 R HA -0.076 4.264 4.340 -0.000 0.000 0.237 399 R C 2.166 178.449 176.300 -0.028 0.000 1.137 399 R CA 2.074 58.148 56.100 -0.042 0.000 0.951 399 R CB -0.925 29.350 30.300 -0.041 0.000 0.851 399 R HN 0.412 nan 8.270 nan 0.000 0.434 400 A N -1.064 121.739 122.820 -0.027 0.000 1.972 400 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 400 A C 1.940 179.519 177.584 -0.008 0.000 1.169 400 A CA 1.856 53.880 52.037 -0.021 0.000 0.635 400 A CB -0.310 18.672 19.000 -0.029 0.000 0.810 400 A HN 0.379 nan 8.150 nan 0.000 0.446 401 S N -0.111 115.595 115.700 0.010 0.000 2.577 401 S HA 0.037 4.507 4.470 -0.000 0.000 0.219 401 S C 1.749 176.359 174.600 0.018 0.000 0.962 401 S CA 0.520 58.738 58.200 0.031 0.000 0.921 401 S CB -0.008 63.253 63.200 0.102 0.000 0.789 401 S HN 0.827 nan 8.310 nan 0.000 0.497 402 S N 2.360 118.059 115.700 -0.002 0.000 2.469 402 S HA -0.193 4.277 4.470 -0.000 0.000 0.238 402 S C 1.970 176.563 174.600 -0.010 0.000 0.998 402 S CA 0.780 58.972 58.200 -0.013 0.000 0.957 402 S CB -0.380 62.808 63.200 -0.020 0.000 0.764 402 S HN 0.649 nan 8.310 nan 0.000 0.514 403 Q N 1.996 121.792 119.800 -0.007 0.000 2.224 403 Q HA 0.048 4.388 4.340 -0.000 0.000 0.203 403 Q C 0.888 176.883 176.000 -0.007 0.000 0.970 403 Q CA 1.230 57.028 55.803 -0.007 0.000 0.865 403 Q CB -0.778 27.956 28.738 -0.006 0.000 0.922 403 Q HN 0.516 nan 8.270 nan 0.000 0.445 404 S N 1.070 116.768 115.700 -0.003 0.000 2.513 404 S HA 0.266 4.736 4.470 -0.000 0.000 0.276 404 S C 0.385 174.977 174.600 -0.014 0.000 1.254 404 S CA -0.003 58.194 58.200 -0.005 0.000 1.053 404 S CB 1.000 64.204 63.200 0.007 0.000 0.958 404 S HN 0.444 nan 8.310 nan 0.000 0.491 405 T N 0.980 115.520 114.554 -0.022 0.000 3.215 405 T HA 0.230 4.579 4.350 -0.000 0.000 0.271 405 T C 0.012 174.684 174.700 -0.046 0.000 1.012 405 T CA -0.531 61.551 62.100 -0.030 0.000 0.899 405 T CB -0.512 68.341 68.868 -0.026 0.000 1.089 405 T HN 0.657 nan 8.240 nan 0.000 0.552 406 D N 1.103 121.472 120.400 -0.052 0.000 2.533 406 D HA 0.053 4.693 4.640 -0.000 0.000 0.236 406 D C 1.316 177.538 176.300 -0.130 0.000 1.137 406 D CA -0.080 53.865 54.000 -0.092 0.000 0.867 406 D CB 0.536 41.291 40.800 -0.076 0.000 1.170 406 D HN 0.167 nan 8.370 nan 0.000 0.474 407 L N 3.212 124.301 121.223 -0.223 0.000 2.093 407 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 407 L C 2.223 178.932 176.870 -0.270 0.000 1.085 407 L CA 0.678 55.376 54.840 -0.238 0.000 0.755 407 L CB -0.456 41.432 42.059 -0.285 0.000 0.904 407 L HN 0.630 nan 8.230 nan 0.000 0.435 408 M N 0.317 119.628 119.600 -0.480 0.000 2.175 408 M HA -0.174 4.306 4.480 -0.000 0.000 0.264 408 M C 2.019 178.305 176.300 -0.023 0.000 1.063 408 M CA 1.733 56.907 55.300 -0.211 0.000 1.119 408 M CB -0.334 32.140 32.600 -0.209 0.000 1.377 408 M HN 0.101 nan 8.290 nan 0.000 0.415 409 E N -0.363 119.819 120.200 -0.030 0.000 2.118 409 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 409 E C 1.969 178.538 176.600 -0.052 0.000 0.992 409 E CA 1.242 57.666 56.400 0.040 0.000 0.804 409 E CB -0.299 29.441 29.700 0.066 0.000 0.741 409 E HN 0.663 nan 8.360 nan 0.000 0.458 410 A N 1.191 123.980 122.820 -0.051 0.000 1.877 410 A HA -0.199 4.120 4.320 -0.000 0.000 0.216 410 A C 2.143 179.722 177.584 -0.008 0.000 1.186 410 A CA 1.322 53.331 52.037 -0.046 0.000 0.620 410 A CB -0.315 18.671 19.000 -0.023 0.000 0.822 410 A HN 0.124 nan 8.150 nan 0.000 0.443 411 M N -0.318 119.312 119.600 0.049 0.000 2.117 411 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 411 M C 2.509 178.844 176.300 0.058 0.000 1.065 411 M CA 1.622 56.973 55.300 0.086 0.000 1.114 411 M CB -1.607 31.106 32.600 0.188 0.000 1.361 411 M HN 0.496 nan 8.290 nan 0.000 0.408 412 A N 0.054 122.912 122.820 0.062 0.000 1.877 412 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 412 A C 2.259 179.861 177.584 0.029 0.000 1.186 412 A CA 1.695 53.784 52.037 0.087 0.000 0.620 412 A CB -0.581 18.534 19.000 0.191 0.000 0.822 412 A HN 0.479 nan 8.150 nan 0.000 0.443 413 M N -0.615 118.918 119.600 -0.111 0.000 2.132 413 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 413 M C 2.306 178.631 176.300 0.042 0.000 1.065 413 M CA 1.357 56.609 55.300 -0.080 0.000 1.122 413 M CB -0.557 31.865 32.600 -0.297 0.000 1.365 413 M HN 0.513 nan 8.290 nan 0.000 0.411 414 G N -0.528 108.269 108.800 -0.005 0.000 2.418 414 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 414 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 414 G C 1.608 176.477 174.900 -0.051 0.000 1.158 414 G CA 1.147 46.237 45.100 -0.016 0.000 0.771 414 G HN 0.418 nan 8.290 nan 0.000 0.545 415 S N -0.084 115.594 115.700 -0.038 0.000 2.355 415 S HA -0.095 4.375 4.470 -0.000 0.000 0.222 415 S C 2.538 177.055 174.600 -0.139 0.000 1.031 415 S CA 1.138 59.305 58.200 -0.056 0.000 0.993 415 S CB -0.289 62.905 63.200 -0.010 0.000 0.859 415 S HN 0.178 nan 8.310 nan 0.000 0.453 416 V N 1.825 121.640 119.914 -0.165 0.000 2.295 416 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 416 V C 2.553 178.195 176.094 -0.752 0.000 1.049 416 V CA 2.123 64.177 62.300 -0.409 0.000 1.024 416 V CB -0.732 30.958 31.823 -0.222 0.000 0.648 416 V HN 0.411 nan 8.190 nan 0.000 0.447 417 E N 0.895 120.747 120.200 -0.581 0.000 2.070 417 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 417 E C 2.127 178.586 176.600 -0.235 0.000 1.004 417 E CA 1.958 58.084 56.400 -0.456 0.000 0.805 417 E CB -0.588 28.964 29.700 -0.246 0.000 0.744 417 E HN 0.512 nan 8.360 nan 0.000 0.451 418 A N 0.203 122.920 122.820 -0.172 0.000 1.940 418 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 418 A C 2.419 179.942 177.584 -0.102 0.000 1.176 418 A CA 2.485 54.463 52.037 -0.099 0.000 0.631 418 A CB -1.102 17.854 19.000 -0.073 0.000 0.814 418 A HN 0.458 nan 8.150 nan 0.000 0.446 419 S N -1.370 114.226 115.700 -0.174 0.000 2.382 419 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 419 S C 1.911 176.479 174.600 -0.054 0.000 1.027 419 S CA 1.479 59.595 58.200 -0.140 0.000 0.991 419 S CB -0.749 62.337 63.200 -0.191 0.000 0.823 419 S HN 0.505 nan 8.310 nan 0.000 0.469 420 Y N 2.237 122.464 120.300 -0.121 0.000 2.200 420 Y HA 0.116 4.666 4.550 -0.000 0.000 0.290 420 Y C 2.654 178.507 175.900 -0.079 0.000 1.137 420 Y CA 1.022 59.051 58.100 -0.118 0.000 1.163 420 Y CB -1.013 37.345 38.460 -0.170 0.000 0.988 420 Y HN 0.298 nan 8.280 nan 0.000 0.518 421 K N 0.831 121.284 120.400 0.089 0.000 2.026 421 K HA -0.126 4.193 4.320 -0.000 0.000 0.208 421 K C 1.936 178.553 176.600 0.027 0.000 1.048 421 K CA 1.853 58.166 56.287 0.043 0.000 0.929 421 K CB -0.784 31.724 32.500 0.014 0.000 0.713 421 K HN 0.442 nan 8.250 nan 0.000 0.439 422 C N 0.073 119.381 119.300 0.013 0.000 2.673 422 C HA 0.465 4.925 4.460 -0.000 0.000 0.274 422 C C 0.575 175.572 174.990 0.012 0.000 1.276 422 C CA -0.797 58.225 59.018 0.005 0.000 1.701 422 C CB -1.531 26.203 27.740 -0.010 0.000 1.836 422 C HN 0.479 nan 8.230 nan 0.000 0.596 423 L N 0.439 121.679 121.223 0.028 0.000 3.762 423 L HA -0.227 4.112 4.340 -0.000 0.000 0.460 423 L C 1.057 177.938 176.870 0.019 0.000 1.255 423 L CA 0.320 55.180 54.840 0.033 0.000 0.783 423 L CB -2.251 39.831 42.059 0.038 0.000 1.600 423 L HN 0.692 nan 8.230 nan 0.000 0.862 424 A N 0.131 122.952 122.820 0.002 0.000 2.483 424 A HA 0.512 4.832 4.320 -0.000 0.000 0.238 424 A C 1.385 178.975 177.584 0.010 0.000 1.070 424 A CA 0.644 52.672 52.037 -0.014 0.000 0.770 424 A CB 0.689 19.667 19.000 -0.037 0.000 1.008 424 A HN 0.702 nan 8.150 nan 0.000 0.497 425 A N 1.158 123.991 122.820 0.022 0.000 2.123 425 A HA 0.529 4.849 4.320 -0.000 0.000 0.214 425 A C 1.022 178.707 177.584 0.168 0.000 1.152 425 A CA 1.501 53.609 52.037 0.118 0.000 0.728 425 A CB -0.389 18.742 19.000 0.218 0.000 0.814 425 A HN 2.388 nan 8.150 nan 0.000 0.464 426 A N -1.629 121.248 122.820 0.096 0.000 2.586 426 A HA 0.598 4.918 4.320 -0.000 0.000 0.291 426 A C -1.847 175.764 177.584 0.045 0.000 1.062 426 A CA -0.613 51.495 52.037 0.118 0.000 0.666 426 A CB 0.285 19.491 19.000 0.344 0.000 1.281 426 A HN 0.284 nan 8.150 nan 0.000 0.421 427 L N 1.213 122.468 121.223 0.054 0.000 2.305 427 L HA 0.589 4.929 4.340 -0.000 0.000 0.284 427 L C -0.494 176.420 176.870 0.075 0.000 1.013 427 L CA 0.006 54.869 54.840 0.038 0.000 0.819 427 L CB 1.460 43.534 42.059 0.025 0.000 1.227 427 L HN 0.575 nan 8.230 nan 0.000 0.417 428 I N 3.888 124.494 120.570 0.060 0.000 2.315 428 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 428 I C -0.632 175.519 176.117 0.057 0.000 1.006 428 I CA -0.618 60.730 61.300 0.079 0.000 1.265 428 I CB 1.381 39.420 38.000 0.065 0.000 1.387 428 I HN 0.224 nan 8.210 nan 0.000 0.475 429 V N 7.489 127.442 119.914 0.064 0.000 2.483 429 V HA 0.327 4.446 4.120 -0.000 0.000 0.297 429 V C -0.326 175.791 176.094 0.039 0.000 1.027 429 V CA -0.674 61.655 62.300 0.048 0.000 0.855 429 V CB 1.767 33.616 31.823 0.044 0.000 0.995 429 V HN 0.363 nan 8.190 nan 0.000 0.424 430 L N 4.287 125.529 121.223 0.031 0.000 2.260 430 L HA 0.707 5.047 4.340 -0.000 0.000 0.289 430 L C 0.347 177.240 176.870 0.039 0.000 1.057 430 L CA 0.808 55.663 54.840 0.025 0.000 0.811 430 L CB 1.275 43.334 42.059 -0.000 0.000 1.184 430 L HN 0.827 nan 8.230 nan 0.000 0.429 431 T N 1.656 116.227 114.554 0.028 0.000 3.041 431 T HA 0.377 4.727 4.350 -0.000 0.000 0.321 431 T C 0.378 175.090 174.700 0.020 0.000 1.184 431 T CA -0.429 61.680 62.100 0.015 0.000 1.050 431 T CB 1.162 70.003 68.868 -0.046 0.000 1.159 431 T HN 0.584 nan 8.240 nan 0.000 0.469 432 E N 1.561 121.780 120.200 0.031 0.000 2.162 432 E HA 0.063 4.412 4.350 -0.000 0.000 0.193 432 E C 2.131 178.744 176.600 0.022 0.000 0.953 432 E CA 1.184 57.608 56.400 0.040 0.000 0.849 432 E CB 0.006 29.742 29.700 0.061 0.000 0.810 432 E HN 0.693 nan 8.360 nan 0.000 0.470 433 S N -1.078 114.623 115.700 0.002 0.000 2.501 433 S HA 0.198 4.668 4.470 -0.000 0.000 0.220 433 S C 1.660 176.215 174.600 -0.075 0.000 0.997 433 S CA 0.955 59.153 58.200 -0.003 0.000 0.919 433 S CB 0.541 63.746 63.200 0.008 0.000 0.778 433 S HN 0.280 nan 8.310 nan 0.000 0.523 434 G N 1.860 110.546 108.800 -0.190 0.000 2.234 434 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.235 434 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.235 434 G C 1.072 175.396 174.900 -0.962 0.000 0.997 434 G CA 0.268 45.054 45.100 -0.523 0.000 0.623 434 G HN 0.470 nan 8.290 nan 0.000 0.514 435 R N 0.863 121.063 120.500 -0.501 0.000 2.096 435 R HA -0.067 4.273 4.340 -0.000 0.000 0.240 435 R C 2.796 178.972 176.300 -0.207 0.000 1.139 435 R CA 2.009 57.926 56.100 -0.305 0.000 0.952 435 R CB -0.488 29.777 30.300 -0.057 0.000 0.854 435 R HN 0.447 nan 8.270 nan 0.000 0.436 436 S N 0.510 116.140 115.700 -0.115 0.000 2.368 436 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 436 S C 2.057 176.634 174.600 -0.039 0.000 1.030 436 S CA 1.216 59.412 58.200 -0.006 0.000 0.999 436 S CB -0.159 63.079 63.200 0.062 0.000 0.844 436 S HN 0.496 nan 8.310 nan 0.000 0.459 437 A N 1.414 124.153 122.820 -0.136 0.000 1.930 437 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 437 A C 1.678 179.223 177.584 -0.066 0.000 1.175 437 A CA 1.458 53.442 52.037 -0.088 0.000 0.627 437 A CB -0.958 17.981 19.000 -0.101 0.000 0.815 437 A HN 0.690 nan 8.150 nan 0.000 0.443 438 H N -0.969 117.958 119.070 -0.238 0.000 2.387 438 H HA -0.131 4.425 4.556 -0.000 0.000 0.299 438 H C 2.197 177.462 175.328 -0.106 0.000 1.099 438 H CA 1.113 56.917 56.048 -0.407 0.000 1.315 438 H CB 0.107 29.515 29.762 -0.589 0.000 1.380 438 H HN 0.405 nan 8.280 nan 0.000 0.513 439 Q N 0.520 120.372 119.800 0.087 0.000 2.172 439 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 439 Q C 2.690 178.815 176.000 0.208 0.000 0.964 439 Q CA 0.641 56.529 55.803 0.140 0.000 0.855 439 Q CB -0.232 28.586 28.738 0.134 0.000 0.918 439 Q HN 0.362 nan 8.270 nan 0.000 0.444 440 V N 1.295 121.305 119.914 0.159 0.000 2.295 440 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 440 V C 2.409 178.614 176.094 0.185 0.000 1.049 440 V CA 1.822 64.228 62.300 0.177 0.000 1.024 440 V CB -1.172 30.718 31.823 0.112 0.000 0.648 440 V HN 0.311 nan 8.190 nan 0.000 0.447 441 A N 0.155 123.064 122.820 0.149 0.000 1.940 441 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 441 A C 2.418 180.087 177.584 0.142 0.000 1.176 441 A CA 2.173 54.310 52.037 0.167 0.000 0.631 441 A CB -0.670 18.457 19.000 0.211 0.000 0.814 441 A HN 0.508 nan 8.150 nan 0.000 0.446 442 R N -1.804 118.744 120.500 0.081 0.000 2.127 442 R HA -0.187 4.152 4.340 -0.000 0.000 0.238 442 R C 0.993 177.131 176.300 -0.271 0.000 1.134 442 R CA 1.840 57.874 56.100 -0.111 0.000 0.975 442 R CB -0.324 29.844 30.300 -0.221 0.000 0.865 442 R HN 0.582 nan 8.270 nan 0.000 0.447 443 Y N 0.612 120.996 120.300 0.139 0.000 2.461 443 Y HA 0.243 4.793 4.550 -0.000 0.000 0.277 443 Y C 0.078 176.165 175.900 0.311 0.000 1.182 443 Y CA -0.146 58.073 58.100 0.198 0.000 1.276 443 Y CB 0.434 39.035 38.460 0.235 0.000 1.087 443 Y HN -0.047 nan 8.280 nan 0.000 0.519 444 R N -0.545 120.139 120.500 0.306 0.000 3.209 444 R HA -0.141 4.199 4.340 -0.000 0.000 0.252 444 R C -2.970 173.582 176.300 0.420 0.000 0.958 444 R CA 0.178 56.475 56.100 0.328 0.000 0.651 444 R CB -2.199 28.284 30.300 0.306 0.000 1.142 444 R HN 0.284 nan 8.270 nan 0.000 0.441 445 P HA 0.007 nan 4.420 nan 0.000 0.272 445 P C 0.726 178.147 177.300 0.201 0.000 1.240 445 P CA -0.215 62.952 63.100 0.112 0.000 0.791 445 P CB 0.404 32.084 31.700 -0.032 0.000 0.978 446 R N 0.968 121.504 120.500 0.060 0.000 2.127 446 R HA 0.212 4.552 4.340 -0.000 0.000 0.217 446 R C 0.965 177.255 176.300 -0.017 0.000 1.074 446 R CA 0.261 56.297 56.100 -0.107 0.000 0.991 446 R CB -0.806 29.201 30.300 -0.488 0.000 0.895 446 R HN 0.411 nan 8.270 nan 0.000 0.450 447 A N 3.300 126.109 122.820 -0.018 0.000 2.386 447 A HA 0.324 4.644 4.320 -0.000 0.000 0.248 447 A C -2.113 175.453 177.584 -0.030 0.000 1.082 447 A CA -1.649 50.371 52.037 -0.028 0.000 0.789 447 A CB -0.090 18.903 19.000 -0.012 0.000 1.025 447 A HN 0.241 nan 8.150 nan 0.000 0.490 448 P HA 0.181 nan 4.420 nan 0.000 0.269 448 P C -0.842 176.468 177.300 0.016 0.000 1.209 448 P CA 0.350 63.385 63.100 -0.108 0.000 0.776 448 P CB 0.437 31.890 31.700 -0.412 0.000 0.876 449 I N 3.614 124.235 120.570 0.085 0.000 2.307 449 I HA 0.205 4.375 4.170 -0.000 0.000 0.287 449 I C 0.494 176.726 176.117 0.190 0.000 1.054 449 I CA -0.685 60.688 61.300 0.123 0.000 1.218 449 I CB 0.510 38.581 38.000 0.119 0.000 1.398 449 I HN 0.068 nan 8.210 nan 0.000 0.475 450 I N 5.991 126.685 120.570 0.207 0.000 2.308 450 I HA 0.269 4.439 4.170 -0.000 0.000 0.293 450 I C 0.759 176.989 176.117 0.189 0.000 1.078 450 I CA -0.062 61.403 61.300 0.275 0.000 1.292 450 I CB 0.555 38.736 38.000 0.301 0.000 1.423 450 I HN 0.520 nan 8.210 nan 0.000 0.493 451 A N 7.591 130.510 122.820 0.166 0.000 2.253 451 A HA 0.580 4.900 4.320 -0.000 0.000 0.316 451 A C -0.167 177.461 177.584 0.074 0.000 1.327 451 A CA -0.467 51.624 52.037 0.090 0.000 0.917 451 A CB 0.537 19.567 19.000 0.051 0.000 1.162 451 A HN 0.434 nan 8.150 nan 0.000 0.535 452 V N 2.708 122.659 119.914 0.063 0.000 2.407 452 V HA 0.642 4.762 4.120 -0.000 0.000 0.278 452 V C 0.552 176.664 176.094 0.031 0.000 1.037 452 V CA -0.011 62.319 62.300 0.049 0.000 0.900 452 V CB 1.196 33.046 31.823 0.044 0.000 0.983 452 V HN 0.931 nan 8.190 nan 0.000 0.459 453 T N 4.445 119.016 114.554 0.028 0.000 2.916 453 T HA 0.401 4.750 4.350 -0.000 0.000 0.305 453 T C 0.543 175.272 174.700 0.049 0.000 1.119 453 T CA -0.654 61.468 62.100 0.035 0.000 1.008 453 T CB 1.599 70.485 68.868 0.030 0.000 1.129 453 T HN 0.650 nan 8.240 nan 0.000 0.480 454 R N 1.930 122.475 120.500 0.074 0.000 2.310 454 R HA 0.176 4.516 4.340 -0.000 0.000 0.202 454 R C 0.459 176.880 176.300 0.200 0.000 0.933 454 R CA -0.137 56.033 56.100 0.117 0.000 1.054 454 R CB 0.161 30.518 30.300 0.095 0.000 0.985 454 R HN 0.367 nan 8.270 nan 0.000 0.489 455 N N 1.058 119.852 118.700 0.157 0.000 2.437 455 N HA 0.015 4.755 4.740 -0.000 0.000 0.243 455 N C 0.483 176.128 175.510 0.225 0.000 1.041 455 N CA 0.123 53.275 53.050 0.170 0.000 0.940 455 N CB 0.545 39.090 38.487 0.096 0.000 1.133 455 N HN 0.253 nan 8.380 nan 0.000 0.506 456 H N 1.672 120.765 119.070 0.038 0.000 2.387 456 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 456 H C 1.298 176.656 175.328 0.049 0.000 1.090 456 H CA 1.010 57.089 56.048 0.051 0.000 1.332 456 H CB 0.591 30.384 29.762 0.053 0.000 1.386 456 H HN 0.653 nan 8.280 nan 0.000 0.516 457 Q N 0.710 120.614 119.800 0.173 0.000 2.079 457 Q HA -0.125 4.215 4.340 -0.000 0.000 0.200 457 Q C 2.008 178.066 176.000 0.097 0.000 0.974 457 Q CA 1.659 57.528 55.803 0.110 0.000 0.840 457 Q CB 0.179 28.964 28.738 0.078 0.000 0.898 457 Q HN 0.311 nan 8.270 nan 0.000 0.430 458 T N 0.766 115.376 114.554 0.095 0.000 2.699 458 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 458 T C 1.748 176.483 174.700 0.059 0.000 1.036 458 T CA 1.416 63.568 62.100 0.086 0.000 1.147 458 T CB -0.427 68.479 68.868 0.062 0.000 0.862 458 T HN 0.485 nan 8.240 nan 0.000 0.446 459 A N 1.748 124.588 122.820 0.032 0.000 1.877 459 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 459 A C 2.394 179.908 177.584 -0.116 0.000 1.186 459 A CA 1.502 53.511 52.037 -0.046 0.000 0.620 459 A CB -0.502 18.473 19.000 -0.041 0.000 0.822 459 A HN 0.440 nan 8.150 nan 0.000 0.443 460 R N -0.642 119.849 120.500 -0.014 0.000 2.081 460 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 460 R C 2.338 178.671 176.300 0.056 0.000 1.131 460 R CA 1.643 57.760 56.100 0.030 0.000 0.960 460 R CB -0.326 30.030 30.300 0.095 0.000 0.856 460 R HN 0.678 nan 8.270 nan 0.000 0.436 461 Q N -0.029 119.819 119.800 0.081 0.000 2.297 461 Q HA 0.030 4.370 4.340 -0.000 0.000 0.204 461 Q C 1.982 178.098 176.000 0.192 0.000 0.962 461 Q CA 0.869 56.756 55.803 0.139 0.000 0.879 461 Q CB 0.112 28.942 28.738 0.154 0.000 0.947 461 Q HN 0.334 nan 8.270 nan 0.000 0.462 462 A N 0.341 123.236 122.820 0.124 0.000 2.070 462 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 462 A C 1.207 178.905 177.584 0.190 0.000 1.159 462 A CA 1.228 53.377 52.037 0.187 0.000 0.656 462 A CB -0.674 18.350 19.000 0.040 0.000 0.800 462 A HN 0.442 nan 8.150 nan 0.000 0.453 463 H N -0.780 118.387 119.070 0.162 0.000 2.518 463 H HA 0.034 4.590 4.556 -0.000 0.000 0.289 463 H C 1.555 176.942 175.328 0.098 0.000 1.051 463 H CA 0.854 56.970 56.048 0.112 0.000 1.280 463 H CB -0.135 29.663 29.762 0.061 0.000 1.380 463 H HN 0.414 nan 8.280 nan 0.000 0.566 464 L N -0.021 121.312 121.223 0.183 0.000 2.465 464 L HA -0.093 4.247 4.340 -0.000 0.000 0.224 464 L C -0.232 176.499 176.870 -0.232 0.000 1.145 464 L CA 0.497 55.299 54.840 -0.063 0.000 0.834 464 L CB 0.058 41.985 42.059 -0.220 0.000 0.944 464 L HN 0.276 nan 8.230 nan 0.000 0.451 465 Y N -0.888 119.442 120.300 0.050 0.000 2.352 465 Y HA 0.406 4.956 4.550 -0.000 0.000 0.339 465 Y C 0.521 176.471 175.900 0.084 0.000 0.992 465 Y CA -1.321 56.805 58.100 0.043 0.000 1.100 465 Y CB 0.927 39.416 38.460 0.048 0.000 1.192 465 Y HN -0.141 nan 8.280 nan 0.000 0.458 466 R N 1.607 122.221 120.500 0.190 0.000 2.504 466 R HA 0.277 4.616 4.340 -0.000 0.000 0.291 466 R C 1.130 177.543 176.300 0.189 0.000 0.974 466 R CA 1.307 57.503 56.100 0.159 0.000 1.077 466 R CB -0.472 29.901 30.300 0.123 0.000 0.926 466 R HN 0.979 nan 8.270 nan 0.000 0.407 467 G N 3.897 112.803 108.800 0.177 0.000 2.179 467 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 467 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 467 G C 0.223 175.239 174.900 0.194 0.000 0.977 467 G CA 0.262 45.459 45.100 0.162 0.000 0.641 467 G HN 0.583 nan 8.290 nan 0.000 0.533 468 I N 0.756 121.460 120.570 0.224 0.000 2.379 468 I HA 0.390 4.559 4.170 -0.000 0.000 0.290 468 I C 0.033 176.306 176.117 0.259 0.000 1.063 468 I CA -0.466 60.965 61.300 0.218 0.000 1.351 468 I CB 0.617 38.729 38.000 0.187 0.000 1.410 468 I HN 0.090 nan 8.210 nan 0.000 0.505 469 F N 10.131 130.148 119.950 0.113 0.000 2.291 469 F HA 0.429 4.956 4.527 -0.000 0.000 0.368 469 F C -2.083 173.769 175.800 0.087 0.000 1.085 469 F CA -2.530 55.553 58.000 0.138 0.000 1.165 469 F CB 0.746 39.867 39.000 0.202 0.000 1.429 469 F HN 0.268 nan 8.300 nan 0.000 0.503 470 P HA 0.118 nan 4.420 nan 0.000 0.276 470 P C -1.115 176.112 177.300 -0.123 0.000 1.230 470 P CA 0.017 63.038 63.100 -0.132 0.000 0.776 470 P CB 2.047 33.586 31.700 -0.270 0.000 0.888 471 V N 4.278 124.191 119.914 -0.001 0.000 2.483 471 V HA 0.166 4.285 4.120 -0.000 0.000 0.297 471 V C 0.278 176.385 176.094 0.022 0.000 1.027 471 V CA -0.861 61.462 62.300 0.038 0.000 0.855 471 V CB 2.248 34.142 31.823 0.119 0.000 0.995 471 V HN 0.261 nan 8.190 nan 0.000 0.424 472 V N 3.933 123.857 119.914 0.017 0.000 2.461 472 V HA 0.198 4.318 4.120 -0.000 0.000 0.275 472 V C 0.380 176.456 176.094 -0.030 0.000 1.047 472 V CA -0.283 61.985 62.300 -0.053 0.000 0.955 472 V CB 1.293 33.002 31.823 -0.189 0.000 0.988 472 V HN 1.027 nan 8.190 nan 0.000 0.471 473 C N 6.620 125.913 119.300 -0.012 0.000 2.285 473 C HA 0.407 4.867 4.460 -0.000 0.000 0.335 473 C C 1.279 176.282 174.990 0.021 0.000 1.267 473 C CA -0.583 58.440 59.018 0.007 0.000 1.762 473 C CB -0.375 27.375 27.740 0.017 0.000 2.365 473 C HN 1.015 nan 8.230 nan 0.000 0.527 474 K N 2.588 122.996 120.400 0.013 0.000 2.358 474 K HA 0.128 4.447 4.320 -0.000 0.000 0.200 474 K C -0.144 176.473 176.600 0.028 0.000 1.030 474 K CA -0.060 56.250 56.287 0.038 0.000 1.097 474 K CB 0.250 32.759 32.500 0.014 0.000 0.862 474 K HN 0.744 nan 8.250 nan 0.000 0.534 475 D N 3.386 123.796 120.400 0.017 0.000 2.443 475 D HA 0.016 4.656 4.640 -0.000 0.000 0.239 475 D C -2.224 174.085 176.300 0.016 0.000 1.136 475 D CA -0.948 53.058 54.000 0.010 0.000 0.879 475 D CB 0.410 41.210 40.800 0.001 0.000 1.195 475 D HN 0.000 nan 8.370 nan 0.000 0.443 476 P HA -0.024 nan 4.420 nan 0.000 0.270 476 P C -0.464 176.846 177.300 0.016 0.000 1.223 476 P CA -0.386 62.724 63.100 0.016 0.000 0.785 476 P CB 0.462 32.169 31.700 0.011 0.000 0.923 477 V N 3.232 123.162 119.914 0.026 0.000 2.529 477 V HA -0.025 4.095 4.120 -0.000 0.000 0.292 477 V C 1.013 177.124 176.094 0.028 0.000 1.028 477 V CA 0.148 62.469 62.300 0.036 0.000 1.074 477 V CB -0.216 31.643 31.823 0.059 0.000 0.958 477 V HN 0.473 nan 8.190 nan 0.000 0.481 478 Q N 3.467 123.278 119.800 0.018 0.000 2.327 478 Q HA 0.188 4.528 4.340 -0.000 0.000 0.254 478 Q C 0.901 176.924 176.000 0.039 0.000 0.952 478 Q CA -0.241 55.569 55.803 0.012 0.000 0.884 478 Q CB 1.114 29.842 28.738 -0.016 0.000 1.224 478 Q HN 0.713 nan 8.270 nan 0.000 0.422 479 E N 1.489 121.708 120.200 0.031 0.000 2.077 479 E HA -0.085 4.265 4.350 -0.000 0.000 0.193 479 E C 0.036 176.672 176.600 0.061 0.000 0.989 479 E CA 1.180 57.605 56.400 0.042 0.000 0.800 479 E CB 0.101 29.815 29.700 0.024 0.000 0.746 479 E HN 0.673 nan 8.360 nan 0.000 0.452 480 A N 0.725 123.571 122.820 0.044 0.000 2.354 480 A HA -0.004 4.316 4.320 -0.000 0.000 0.281 480 A C 0.516 178.153 177.584 0.089 0.000 1.174 480 A CA -0.387 51.683 52.037 0.055 0.000 0.828 480 A CB -0.244 18.763 19.000 0.012 0.000 1.099 480 A HN 0.553 nan 8.150 nan 0.000 0.516 481 W N 3.154 124.411 121.300 -0.073 0.000 2.335 481 W HA -0.289 4.370 4.660 -0.000 0.000 0.311 481 W C 1.746 178.207 176.519 -0.097 0.000 1.213 481 W CA 2.099 59.393 57.345 -0.085 0.000 1.274 481 W CB -0.175 29.219 29.460 -0.109 0.000 1.148 481 W HN 0.784 nan 8.180 nan 0.000 0.498 482 A N 0.812 123.557 122.820 -0.124 0.000 1.917 482 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 482 A C 1.781 179.221 177.584 -0.241 0.000 1.182 482 A CA 2.167 54.057 52.037 -0.246 0.000 0.633 482 A CB -1.010 17.905 19.000 -0.143 0.000 0.819 482 A HN 0.536 nan 8.150 nan 0.000 0.448 483 E N -0.907 119.200 120.200 -0.155 0.000 2.106 483 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 483 E C 1.696 178.198 176.600 -0.163 0.000 0.984 483 E CA 1.104 57.428 56.400 -0.127 0.000 0.806 483 E CB -0.168 29.490 29.700 -0.071 0.000 0.750 483 E HN 0.723 nan 8.360 nan 0.000 0.458 484 D N 0.016 120.294 120.400 -0.203 0.000 2.144 484 D HA -0.118 4.521 4.640 -0.000 0.000 0.200 484 D C 1.862 177.952 176.300 -0.350 0.000 0.978 484 D CA 0.620 54.485 54.000 -0.225 0.000 0.833 484 D CB 0.251 40.949 40.800 -0.170 0.000 0.961 484 D HN -0.076 nan 8.370 nan 0.000 0.470 485 V N 0.721 120.295 119.914 -0.566 0.000 2.295 485 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 485 V C 1.787 177.706 176.094 -0.291 0.000 1.049 485 V CA 1.914 63.886 62.300 -0.547 0.000 1.024 485 V CB -0.481 30.907 31.823 -0.726 0.000 0.648 485 V HN 0.233 nan 8.190 nan 0.000 0.447 486 D N -0.170 120.088 120.400 -0.237 0.000 2.144 486 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 486 D C 2.038 178.275 176.300 -0.105 0.000 0.984 486 D CA 1.159 55.073 54.000 -0.145 0.000 0.834 486 D CB -0.282 40.447 40.800 -0.119 0.000 0.955 486 D HN 0.405 nan 8.370 nan 0.000 0.465 487 L N 0.573 121.729 121.223 -0.110 0.000 2.012 487 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 487 L C 2.347 179.182 176.870 -0.057 0.000 1.073 487 L CA 1.495 56.291 54.840 -0.072 0.000 0.748 487 L CB 0.038 42.054 42.059 -0.070 0.000 0.891 487 L HN -0.098 nan 8.230 nan 0.000 0.431 488 R N -1.074 119.377 120.500 -0.081 0.000 2.090 488 R HA -0.078 4.262 4.340 -0.000 0.000 0.228 488 R C 2.117 178.400 176.300 -0.028 0.000 1.110 488 R CA 1.266 57.335 56.100 -0.052 0.000 0.973 488 R CB -0.334 29.922 30.300 -0.073 0.000 0.869 488 R HN 0.294 nan 8.270 nan 0.000 0.440 489 V N 1.743 121.627 119.914 -0.051 0.000 2.343 489 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 489 V C 1.968 178.066 176.094 0.006 0.000 1.051 489 V CA 2.033 64.320 62.300 -0.023 0.000 1.036 489 V CB -0.676 31.118 31.823 -0.049 0.000 0.654 489 V HN 0.374 nan 8.190 nan 0.000 0.451 490 N N 0.284 118.979 118.700 -0.007 0.000 2.166 490 N HA -0.180 4.559 4.740 -0.000 0.000 0.186 490 N C 1.656 177.189 175.510 0.037 0.000 1.019 490 N CA 1.429 54.486 53.050 0.012 0.000 0.856 490 N CB -0.289 38.195 38.487 -0.006 0.000 0.993 490 N HN 0.364 nan 8.380 nan 0.000 0.426 491 L N 0.475 121.716 121.223 0.030 0.000 2.017 491 L HA 0.032 4.371 4.340 -0.000 0.000 0.208 491 L C 2.124 179.041 176.870 0.079 0.000 1.073 491 L CA 2.090 56.957 54.840 0.045 0.000 0.745 491 L CB -1.255 40.824 42.059 0.034 0.000 0.894 491 L HN 0.230 nan 8.230 nan 0.000 0.432 492 A N -0.762 122.117 122.820 0.098 0.000 1.902 492 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 492 A C 2.173 179.902 177.584 0.241 0.000 1.181 492 A CA 2.148 54.283 52.037 0.162 0.000 0.623 492 A CB -0.536 18.560 19.000 0.160 0.000 0.818 492 A HN 0.501 nan 8.150 nan 0.000 0.443 493 M N 0.173 119.903 119.600 0.217 0.000 2.080 493 M HA -0.170 4.310 4.480 -0.000 0.000 0.260 493 M C 1.691 178.142 176.300 0.252 0.000 1.068 493 M CA 1.556 57.044 55.300 0.313 0.000 1.109 493 M CB -2.131 30.561 32.600 0.152 0.000 1.342 493 M HN 0.561 nan 8.290 nan 0.000 0.405 494 N N -0.185 118.586 118.700 0.119 0.000 2.120 494 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 494 N C 1.800 177.299 175.510 -0.017 0.000 1.024 494 N CA 0.982 54.061 53.050 0.049 0.000 0.852 494 N CB 0.004 38.512 38.487 0.035 0.000 1.003 494 N HN 0.070 nan 8.380 nan 0.000 0.424 495 V N 0.850 120.761 119.914 -0.005 0.000 2.255 495 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 495 V C 2.448 178.347 176.094 -0.326 0.000 1.051 495 V CA 2.173 64.427 62.300 -0.077 0.000 1.018 495 V CB -1.214 30.643 31.823 0.056 0.000 0.641 495 V HN 0.442 nan 8.190 nan 0.000 0.445 496 G N -0.436 108.141 108.800 -0.372 0.000 2.440 496 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 496 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 496 G C 1.665 175.920 174.900 -1.076 0.000 1.154 496 G CA 0.925 45.390 45.100 -1.059 0.000 0.767 496 G HN 0.482 nan 8.290 nan 0.000 0.552 497 K N 0.504 120.580 120.400 -0.541 0.000 2.057 497 K HA 0.054 4.374 4.320 -0.000 0.000 0.207 497 K C 2.946 179.390 176.600 -0.261 0.000 1.049 497 K CA 0.988 57.116 56.287 -0.265 0.000 0.931 497 K CB -0.220 32.266 32.500 -0.023 0.000 0.714 497 K HN 0.270 nan 8.250 nan 0.000 0.440 498 A N 1.433 124.101 122.820 -0.252 0.000 1.969 498 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 498 A C 1.897 179.307 177.584 -0.290 0.000 1.169 498 A CA 1.122 53.037 52.037 -0.204 0.000 0.635 498 A CB -0.152 18.763 19.000 -0.141 0.000 0.810 498 A HN 0.112 nan 8.150 nan 0.000 0.445 499 R N -1.258 118.924 120.500 -0.529 0.000 2.297 499 R HA 0.100 4.440 4.340 -0.000 0.000 0.197 499 R C 1.236 177.190 176.300 -0.576 0.000 0.943 499 R CA 0.739 56.405 56.100 -0.724 0.000 1.038 499 R CB -0.509 28.879 30.300 -1.520 0.000 0.957 499 R HN 0.800 nan 8.270 nan 0.000 0.484 500 G N 1.112 109.658 108.800 -0.424 0.000 2.176 500 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 500 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 500 G C 0.446 175.327 174.900 -0.032 0.000 1.024 500 G CA 0.063 45.057 45.100 -0.178 0.000 0.755 500 G HN 0.235 nan 8.290 nan 0.000 0.507 501 F N -0.378 119.348 119.950 -0.374 0.000 2.367 501 F HA 0.375 4.902 4.527 -0.000 0.000 0.298 501 F C 1.383 177.082 175.800 -0.168 0.000 1.094 501 F CA 0.513 58.306 58.000 -0.346 0.000 1.409 501 F CB -0.556 38.117 39.000 -0.544 0.000 1.064 501 F HN 0.435 nan 8.300 nan 0.000 0.528 502 F N -1.297 118.739 119.950 0.142 0.000 2.817 502 F HA 0.560 5.086 4.527 -0.000 0.000 0.317 502 F C -0.907 174.916 175.800 0.038 0.000 1.168 502 F CA -2.372 55.674 58.000 0.077 0.000 0.911 502 F CB 1.037 40.079 39.000 0.070 0.000 1.337 502 F HN -0.211 nan 8.300 nan 0.000 0.464 503 K N 0.246 120.864 120.400 0.363 0.000 2.495 503 K HA 0.463 4.783 4.320 -0.000 0.000 0.268 503 K C -1.347 175.355 176.600 0.171 0.000 1.008 503 K CA -1.250 55.169 56.287 0.221 0.000 0.882 503 K CB 2.360 34.930 32.500 0.117 0.000 1.443 503 K HN 0.825 nan 8.250 nan 0.000 0.447 504 K N 0.052 120.519 120.400 0.111 0.000 2.530 504 K HA -0.048 4.272 4.320 -0.000 0.000 0.280 504 K C 0.620 177.243 176.600 0.038 0.000 1.004 504 K CA 2.056 58.379 56.287 0.060 0.000 1.071 504 K CB -0.440 32.086 32.500 0.043 0.000 0.876 504 K HN 0.887 nan 8.250 nan 0.000 0.487 505 G N 3.126 111.932 108.800 0.010 0.000 2.234 505 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.235 505 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.235 505 G C -0.166 174.729 174.900 -0.008 0.000 0.997 505 G CA 0.161 45.261 45.100 0.000 0.000 0.623 505 G HN 0.718 nan 8.290 nan 0.000 0.514 506 D N 0.260 120.658 120.400 -0.004 0.000 2.363 506 D HA 0.487 5.126 4.640 -0.000 0.000 0.240 506 D C 0.963 177.208 176.300 -0.092 0.000 1.236 506 D CA 0.822 54.810 54.000 -0.020 0.000 0.927 506 D CB 1.516 42.335 40.800 0.032 0.000 1.150 506 D HN 1.005 nan 8.370 nan 0.000 0.458 507 V N -1.933 117.925 119.914 -0.094 0.000 2.769 507 V HA 0.790 4.909 4.120 -0.000 0.000 0.312 507 V C -0.109 175.888 176.094 -0.161 0.000 1.061 507 V CA -0.929 61.299 62.300 -0.120 0.000 0.931 507 V CB 1.514 33.296 31.823 -0.068 0.000 1.010 507 V HN 0.377 nan 8.190 nan 0.000 0.433 508 V N 1.522 121.324 119.914 -0.187 0.000 3.040 508 V HA 0.723 4.843 4.120 -0.000 0.000 0.312 508 V C -0.639 175.395 176.094 -0.101 0.000 1.115 508 V CA -0.862 61.333 62.300 -0.175 0.000 0.998 508 V CB 2.079 33.722 31.823 -0.299 0.000 1.042 508 V HN 0.819 nan 8.190 nan 0.000 0.433 509 I N 2.925 123.455 120.570 -0.066 0.000 2.353 509 I HA 0.552 4.722 4.170 -0.000 0.000 0.293 509 I C -0.122 175.980 176.117 -0.025 0.000 0.992 509 I CA -0.537 60.738 61.300 -0.042 0.000 1.268 509 I CB 1.327 39.303 38.000 -0.039 0.000 1.387 509 I HN 0.505 nan 8.210 nan 0.000 0.478 510 V N 7.556 127.460 119.914 -0.016 0.000 2.487 510 V HA 0.458 4.577 4.120 -0.000 0.000 0.298 510 V C -0.058 176.046 176.094 0.018 0.000 1.028 510 V CA -0.606 61.693 62.300 -0.001 0.000 0.860 510 V CB 2.288 34.103 31.823 -0.014 0.000 0.991 510 V HN 0.453 nan 8.190 nan 0.000 0.427 511 L N 5.457 126.697 121.223 0.029 0.000 2.305 511 L HA 0.802 5.141 4.340 -0.000 0.000 0.284 511 L C 0.170 177.070 176.870 0.050 0.000 1.013 511 L CA 0.007 54.875 54.840 0.046 0.000 0.819 511 L CB 2.066 44.158 42.059 0.056 0.000 1.227 511 L HN 0.914 nan 8.230 nan 0.000 0.417 512 T N -0.479 114.115 114.554 0.067 0.000 2.841 512 T HA 0.639 4.989 4.350 -0.000 0.000 0.296 512 T C -0.150 174.632 174.700 0.138 0.000 1.166 512 T CA -0.749 61.401 62.100 0.082 0.000 1.007 512 T CB 1.740 70.633 68.868 0.041 0.000 1.253 512 T HN 0.528 nan 8.240 nan 0.000 0.511 513 G N -0.178 108.764 108.800 0.237 0.000 2.372 513 G HA2 0.372 4.332 3.960 -0.000 0.000 0.283 513 G HA3 0.372 4.332 3.960 -0.000 0.000 0.283 513 G C 0.426 175.601 174.900 0.457 0.000 1.177 513 G CA -0.850 44.416 45.100 0.276 0.000 0.842 513 G HN 0.818 nan 8.290 nan 0.000 0.503 514 W N 2.994 124.351 121.300 0.095 0.000 2.363 514 W HA 0.021 4.681 4.660 -0.000 0.000 0.296 514 W C 0.147 176.767 176.519 0.169 0.000 1.212 514 W CA 0.611 58.030 57.345 0.124 0.000 1.260 514 W CB 0.360 29.817 29.460 -0.005 0.000 1.131 514 W HN 0.284 nan 8.180 nan 0.000 0.530 515 R N -0.832 119.667 120.500 -0.001 0.000 2.837 515 R HA 0.219 4.558 4.340 -0.000 0.000 0.271 515 R C -1.386 174.225 176.300 -1.148 0.000 0.993 515 R CA -2.142 53.626 56.100 -0.553 0.000 0.931 515 R CB 0.236 30.378 30.300 -0.263 0.000 1.206 515 R HN -0.211 nan 8.270 nan 0.000 0.474 516 P HA -0.104 nan 4.420 nan 0.000 0.219 516 P C 0.968 177.852 177.300 -0.693 0.000 1.146 516 P CA 1.279 63.401 63.100 -1.630 0.000 0.808 516 P CB 0.216 31.334 31.700 -0.970 0.000 0.779 517 G N -0.614 107.912 108.800 -0.457 0.000 2.880 517 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.209 517 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.209 517 G C 0.472 175.278 174.900 -0.157 0.000 1.157 517 G CA -0.044 44.916 45.100 -0.233 0.000 0.779 517 G HN 0.200 nan 8.290 nan 0.000 0.539 518 S N 0.413 116.001 115.700 -0.188 0.000 2.546 518 S HA 0.293 4.763 4.470 -0.000 0.000 0.290 518 S C 1.605 176.165 174.600 -0.068 0.000 1.290 518 S CA 0.166 58.286 58.200 -0.133 0.000 1.069 518 S CB 1.459 64.573 63.200 -0.143 0.000 0.846 518 S HN 0.320 nan 8.310 nan 0.000 0.495 519 G N 1.756 110.568 108.800 0.021 0.000 2.813 519 G HA2 0.339 4.298 3.960 -0.000 0.000 0.209 519 G HA3 0.339 4.298 3.960 -0.000 0.000 0.209 519 G C 0.053 175.128 174.900 0.293 0.000 1.150 519 G CA 0.088 45.285 45.100 0.161 0.000 0.785 519 G HN 0.656 nan 8.290 nan 0.000 0.535 520 F N -2.158 117.815 119.950 0.039 0.000 2.831 520 F HA 0.531 5.058 4.527 -0.000 0.000 0.318 520 F C -0.201 175.642 175.800 0.071 0.000 1.174 520 F CA -1.288 56.737 58.000 0.043 0.000 0.918 520 F CB 0.587 39.605 39.000 0.029 0.000 1.364 520 F HN -0.092 nan 8.300 nan 0.000 0.475 521 T N 0.458 115.086 114.554 0.123 0.000 2.978 521 T HA 0.177 4.527 4.350 -0.000 0.000 0.278 521 T C 0.234 174.908 174.700 -0.044 0.000 0.945 521 T CA -0.251 61.866 62.100 0.030 0.000 1.070 521 T CB -0.787 68.141 68.868 0.099 0.000 0.948 521 T HN 0.741 nan 8.240 nan 0.000 0.617 522 N N 1.569 120.063 118.700 -0.343 0.000 2.322 522 N HA 0.046 4.786 4.740 -0.000 0.000 0.194 522 N C -0.464 174.999 175.510 -0.078 0.000 1.126 522 N CA -0.485 52.368 53.050 -0.329 0.000 0.845 522 N CB 0.301 38.383 38.487 -0.675 0.000 0.976 522 N HN 0.495 nan 8.380 nan 0.000 0.475 523 T N 1.365 115.928 114.554 0.016 0.000 2.840 523 T HA 0.333 4.683 4.350 -0.000 0.000 0.287 523 T C -0.842 173.901 174.700 0.072 0.000 0.991 523 T CA -0.670 61.477 62.100 0.078 0.000 0.964 523 T CB 1.783 70.801 68.868 0.251 0.000 0.954 523 T HN 0.049 nan 8.240 nan 0.000 0.438 524 M N 3.622 123.250 119.600 0.047 0.000 2.383 524 M HA 0.588 5.067 4.480 -0.000 0.000 0.325 524 M C -1.293 175.025 176.300 0.031 0.000 1.092 524 M CA -0.515 54.806 55.300 0.035 0.000 0.961 524 M CB 1.660 34.272 32.600 0.020 0.000 1.672 524 M HN 0.619 nan 8.290 nan 0.000 0.438 525 R N 2.175 122.688 120.500 0.022 0.000 2.744 525 R HA 0.703 5.043 4.340 -0.000 0.000 0.279 525 R C -1.367 174.927 176.300 -0.010 0.000 0.977 525 R CA -0.905 55.203 56.100 0.013 0.000 0.906 525 R CB 2.669 32.982 30.300 0.021 0.000 1.197 525 R HN 0.525 nan 8.270 nan 0.000 0.463 526 V N 3.232 123.137 119.914 -0.016 0.000 2.383 526 V HA 0.354 4.474 4.120 -0.000 0.000 0.275 526 V C -0.430 175.642 176.094 -0.036 0.000 1.036 526 V CA -0.440 61.841 62.300 -0.031 0.000 0.889 526 V CB 1.519 33.325 31.823 -0.028 0.000 0.985 526 V HN 0.416 nan 8.190 nan 0.000 0.459 527 V N 7.810 127.689 119.914 -0.057 0.000 2.638 527 V HA 0.477 4.597 4.120 -0.000 0.000 0.306 527 V C -2.397 173.641 176.094 -0.092 0.000 1.052 527 V CA -1.897 60.364 62.300 -0.065 0.000 0.885 527 V CB 2.583 34.365 31.823 -0.068 0.000 0.999 527 V HN 0.691 nan 8.190 nan 0.000 0.424 528 P HA 0.204 nan 4.420 nan 0.000 0.275 528 P C -0.370 176.864 177.300 -0.109 0.000 1.227 528 P CA -0.087 62.961 63.100 -0.085 0.000 0.781 528 P CB 1.091 32.760 31.700 -0.051 0.000 0.906 529 V N 5.830 125.655 119.914 -0.148 0.000 2.529 529 V HA 0.073 4.193 4.120 -0.000 0.000 0.292 529 V C -1.209 174.858 176.094 -0.045 0.000 1.028 529 V CA -0.717 61.495 62.300 -0.145 0.000 1.074 529 V CB -0.100 31.611 31.823 -0.187 0.000 0.958 529 V HN 0.648 nan 8.190 nan 0.000 0.481 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 530 P CB 0.000 31.699 31.700 -0.002 0.000 0.726