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 1ei5_1_A DATA FIRST_RESID 3 DATA SEQUENCE KFDTSALEAF VRHIPQNYKG PGGVVAVVKD GEVVLQHAWG FADLRTRTPM DATA SEQUENCE TLDTRMPICS VSKQFTCAVL LDAVGEPELL DDALEAYLDK FEDERPAVRD DATA SEQUENCE LCNNQSGLRD YWALSVLCGA DPEGVFLPAQ AQSLLRRLKT THFEPGSHYS DATA SEQUENCE YCNGNFRILA DLIEAHTGRT LVDILSERIF APAGMKRAEL ISDTALFDEC DATA SEQUENCE TGYEGDTVRG FLPATNRIQW MGDAGICASL NDMIAWEQFI DATRDDESGL DATA SEQUENCE YRRLSGPQTF KDGVAAPYGF GLNLHETGGK RLTGHGGALR GWRCQRWHCA DATA SEQUENCE DERLSTIAMF NFEGGASEVA FKLMNIALGV SSSEVSRVEA DSAWFGSWLD DATA SEQUENCE DETGLVLSLE DAGHGRMKAR FGTSPEMMDV VSANEARSAV TTIRRDGETI DATA SEQUENCE ELVRASENLR LSMKRVKGEA KHDIIGRYHS DELDADLLLV SEGGAIYGAF DATA SEQUENCE EGFLGKSDMY PLYSVGSDVW LLPVQRSMDA PSPGEWKLVF RRDDKGEITG DATA SEQUENCE LSVGCWLARG VEYRRVQP 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.656 176.600 0.094 0.000 0.988 3 K CA 0.000 56.328 56.287 0.069 0.000 0.838 3 K CB 0.000 32.522 32.500 0.037 0.000 1.064 4 F N 3.631 123.581 119.950 -0.000 0.000 2.541 4 F HA 0.211 4.753 4.527 0.024 0.000 0.378 4 F C 0.436 176.235 175.800 -0.001 0.000 1.068 4 F CA 0.026 58.024 58.000 -0.003 0.000 1.199 4 F CB 0.406 39.405 39.000 -0.001 0.000 1.091 4 F HN 0.608 nan 8.300 nan 0.000 0.555 5 D N 4.378 124.452 120.400 -0.543 0.000 2.346 5 D HA 0.039 4.694 4.640 0.025 0.000 0.260 5 D C 0.826 176.849 176.300 -0.463 0.000 1.252 5 D CA 0.201 53.966 54.000 -0.392 0.000 0.895 5 D CB 0.700 41.313 40.800 -0.311 0.000 1.097 5 D HN 0.609 nan 8.370 nan 0.000 0.489 6 T N -0.183 114.261 114.554 -0.184 0.000 3.186 6 T HA 0.034 4.399 4.350 0.025 0.000 0.257 6 T C 1.672 176.345 174.700 -0.044 0.000 1.029 6 T CA 0.247 62.305 62.100 -0.070 0.000 0.916 6 T CB -0.262 68.642 68.868 0.060 0.000 1.041 6 T HN 0.256 nan 8.240 nan 0.000 0.562 7 S N 2.093 117.750 115.700 -0.071 0.000 2.370 7 S HA -0.073 4.412 4.470 0.025 0.000 0.226 7 S C 2.371 176.965 174.600 -0.010 0.000 1.033 7 S CA 0.856 59.034 58.200 -0.038 0.000 1.011 7 S CB -0.948 62.225 63.200 -0.045 0.000 0.852 7 S HN 0.688 nan 8.310 nan 0.000 0.457 8 A N 1.643 124.451 122.820 -0.020 0.000 1.968 8 A HA 0.282 4.617 4.320 0.025 0.000 0.217 8 A C 2.310 179.935 177.584 0.068 0.000 1.169 8 A CA 1.026 53.074 52.037 0.018 0.000 0.638 8 A CB -0.734 18.257 19.000 -0.014 0.000 0.812 8 A HN 0.518 nan 8.150 nan 0.000 0.446 9 L N -0.499 120.757 121.223 0.055 0.000 2.046 9 L HA -0.166 4.189 4.340 0.025 0.000 0.208 9 L C 2.602 179.560 176.870 0.147 0.000 1.077 9 L CA 1.268 56.177 54.840 0.115 0.000 0.747 9 L CB -0.487 41.643 42.059 0.118 0.000 0.896 9 L HN 0.340 nan 8.230 nan 0.000 0.432 10 E N 0.201 120.447 120.200 0.077 0.000 2.110 10 E HA -0.198 4.167 4.350 0.025 0.000 0.193 10 E C 2.293 178.902 176.600 0.015 0.000 0.988 10 E CA 1.345 57.762 56.400 0.027 0.000 0.804 10 E CB -0.141 29.553 29.700 -0.010 0.000 0.745 10 E HN 0.488 nan 8.360 nan 0.000 0.458 11 A N 0.723 123.581 122.820 0.062 0.000 1.930 11 A HA -0.158 4.177 4.320 0.025 0.000 0.217 11 A C 2.022 179.718 177.584 0.187 0.000 1.175 11 A CA 1.020 53.110 52.037 0.088 0.000 0.627 11 A CB -0.689 18.387 19.000 0.127 0.000 0.815 11 A HN 0.273 nan 8.150 nan 0.000 0.443 12 F N 0.626 120.626 119.950 0.083 0.000 2.113 12 F HA -0.124 4.417 4.527 0.023 0.000 0.297 12 F C 2.221 178.064 175.800 0.072 0.000 1.103 12 F CA 1.917 59.990 58.000 0.121 0.000 1.248 12 F CB -0.296 38.762 39.000 0.097 0.000 0.999 12 F HN 0.016 nan 8.300 nan 0.000 0.475 13 V N 1.173 121.142 119.914 0.091 0.000 2.392 13 V HA -0.310 3.825 4.120 0.025 0.000 0.249 13 V C 2.578 178.512 176.094 -0.266 0.000 1.059 13 V CA 2.233 64.492 62.300 -0.069 0.000 1.051 13 V CB -0.850 31.000 31.823 0.044 0.000 0.658 13 V HN 0.343 nan 8.190 nan 0.000 0.455 14 R N -0.522 119.805 120.500 -0.289 0.000 2.120 14 R HA -0.175 4.179 4.340 0.025 0.000 0.234 14 R C 1.882 177.862 176.300 -0.533 0.000 1.123 14 R CA 1.754 57.601 56.100 -0.422 0.000 0.975 14 R CB -0.167 29.860 30.300 -0.455 0.000 0.866 14 R HN 0.671 nan 8.270 nan 0.000 0.446 15 H N -0.947 117.971 119.070 -0.252 0.000 2.551 15 H HA 0.162 4.734 4.556 0.026 0.000 0.271 15 H C 1.546 176.686 175.328 -0.313 0.000 0.984 15 H CA 0.030 55.927 56.048 -0.252 0.000 1.164 15 H CB 0.356 29.995 29.762 -0.205 0.000 1.437 15 H HN 0.152 nan 8.280 nan 0.000 0.550 16 I N 1.234 121.599 120.570 -0.342 0.000 2.163 16 I HA -0.184 4.001 4.170 0.025 0.000 0.243 16 I C -0.651 175.359 176.117 -0.178 0.000 1.085 16 I CA 1.111 62.264 61.300 -0.245 0.000 1.347 16 I CB -0.823 36.926 38.000 -0.419 0.000 1.044 16 I HN 0.222 nan 8.210 nan 0.000 0.408 17 P HA -0.195 nan 4.420 nan 0.000 0.218 17 P C 1.239 178.478 177.300 -0.101 0.000 1.149 17 P CA 1.296 64.243 63.100 -0.255 0.000 0.817 17 P CB -0.139 31.359 31.700 -0.337 0.000 0.785 18 Q N -1.683 118.060 119.800 -0.095 0.000 2.269 18 Q HA 0.003 4.358 4.340 0.025 0.000 0.201 18 Q C 1.325 177.273 176.000 -0.087 0.000 0.946 18 Q CA 0.893 56.659 55.803 -0.063 0.000 0.877 18 Q CB -0.663 28.055 28.738 -0.033 0.000 0.963 18 Q HN 0.245 nan 8.270 nan 0.000 0.472 19 N N -0.204 118.419 118.700 -0.129 0.000 2.409 19 N HA 0.021 4.776 4.740 0.025 0.000 0.174 19 N C -0.507 174.693 175.510 -0.516 0.000 1.037 19 N CA 0.610 53.468 53.050 -0.320 0.000 0.898 19 N CB 0.410 38.652 38.487 -0.409 0.000 1.010 19 N HN 0.266 nan 8.380 nan 0.000 0.445 20 Y N 1.317 121.669 120.300 0.086 0.000 2.863 20 Y HA 0.334 4.900 4.550 0.026 0.000 0.348 20 Y C -0.257 175.745 175.900 0.170 0.000 1.028 20 Y CA -0.756 57.480 58.100 0.226 0.000 1.213 20 Y CB 0.566 39.239 38.460 0.355 0.000 1.120 20 Y HN -0.394 nan 8.280 nan 0.000 0.598 21 K N 1.988 122.484 120.400 0.160 0.000 2.383 21 K HA 0.597 4.932 4.320 0.025 0.000 0.286 21 K C 0.391 176.776 176.600 -0.358 0.000 1.051 21 K CA -0.076 56.200 56.287 -0.018 0.000 0.974 21 K CB 0.687 33.215 32.500 0.046 0.000 0.968 21 K HN 0.793 nan 8.250 nan 0.000 0.475 22 G N 2.670 110.942 108.800 -0.880 0.000 2.328 22 G HA2 0.118 4.093 3.960 0.025 0.000 0.295 22 G HA3 0.118 4.093 3.960 0.025 0.000 0.295 22 G C -2.545 171.571 174.900 -1.308 0.000 1.413 22 G CA -0.943 42.947 45.100 -2.016 0.000 0.817 22 G HN 0.263 nan 8.290 nan 0.000 0.546 23 P HA 0.184 nan 4.420 nan 0.000 0.215 23 P C 1.024 178.146 177.300 -0.298 0.000 1.157 23 P CA 1.995 64.711 63.100 -0.639 0.000 0.868 23 P CB 0.213 31.499 31.700 -0.690 0.000 0.788 24 G N -2.656 106.004 108.800 -0.232 0.000 2.506 24 G HA2 0.553 4.528 3.960 0.025 0.000 0.292 24 G HA3 0.553 4.528 3.960 0.025 0.000 0.292 24 G C -1.308 173.264 174.900 -0.547 0.000 1.425 24 G CA -0.090 44.746 45.100 -0.441 0.000 0.788 24 G HN 0.405 nan 8.290 nan 0.000 0.490 25 G N -2.072 105.954 108.800 -1.291 0.000 2.495 25 G HA2 0.815 4.790 3.960 0.025 0.000 0.294 25 G HA3 0.815 4.790 3.960 0.025 0.000 0.294 25 G C -1.298 172.945 174.900 -1.094 0.000 1.397 25 G CA 0.519 45.033 45.100 -0.977 0.000 0.790 25 G HN 2.013 nan 8.290 nan 0.000 0.486 26 V N -2.436 117.256 119.914 -0.369 0.000 2.971 26 V HA 0.930 5.065 4.120 0.025 0.000 0.309 26 V C -0.199 176.034 176.094 0.232 0.000 1.130 26 V CA -0.682 61.585 62.300 -0.055 0.000 0.964 26 V CB 1.068 32.878 31.823 -0.021 0.000 1.029 26 V HN 1.979 nan 8.190 nan 0.000 0.427 27 V N -0.390 119.731 119.914 0.344 0.000 3.049 27 V HA 1.120 5.255 4.120 0.025 0.000 0.309 27 V C -0.141 176.103 176.094 0.251 0.000 1.148 27 V CA -0.288 62.211 62.300 0.332 0.000 0.990 27 V CB 1.244 33.328 31.823 0.435 0.000 1.039 27 V HN 2.375 nan 8.190 nan 0.000 0.430 28 A N 1.824 124.763 122.820 0.199 0.000 2.606 28 A HA 0.951 5.286 4.320 0.025 0.000 0.293 28 A C -1.377 176.294 177.584 0.146 0.000 1.082 28 A CA -0.661 51.475 52.037 0.165 0.000 0.685 28 A CB 2.182 21.260 19.000 0.129 0.000 1.284 28 A HN 1.664 nan 8.150 nan 0.000 0.408 29 V N 0.867 120.856 119.914 0.125 0.000 2.577 29 V HA 0.585 4.720 4.120 0.025 0.000 0.303 29 V C -0.785 175.341 176.094 0.054 0.000 1.042 29 V CA -0.546 61.812 62.300 0.096 0.000 0.872 29 V CB 1.683 33.574 31.823 0.115 0.000 0.998 29 V HN 0.765 nan 8.190 nan 0.000 0.423 30 V N 4.140 124.065 119.914 0.017 0.000 2.487 30 V HA 0.678 4.813 4.120 0.025 0.000 0.298 30 V C -0.405 175.631 176.094 -0.097 0.000 1.028 30 V CA -0.783 61.506 62.300 -0.018 0.000 0.860 30 V CB 1.908 33.733 31.823 0.004 0.000 0.991 30 V HN 0.864 nan 8.190 nan 0.000 0.427 31 K N 3.081 123.385 120.400 -0.160 0.000 2.471 31 K HA 0.534 4.869 4.320 0.025 0.000 0.252 31 K C -0.317 176.170 176.600 -0.189 0.000 0.938 31 K CA -0.220 55.894 56.287 -0.289 0.000 0.796 31 K CB 1.151 33.262 32.500 -0.649 0.000 1.161 31 K HN 0.547 nan 8.250 nan 0.000 0.425 32 D N 3.755 124.065 120.400 -0.150 0.000 2.837 32 D HA -0.189 4.465 4.640 0.025 0.000 0.230 32 D C 0.661 176.921 176.300 -0.068 0.000 1.152 32 D CA 2.094 56.037 54.000 -0.094 0.000 0.736 32 D CB -1.251 39.499 40.800 -0.084 0.000 1.084 32 D HN 1.071 nan 8.370 nan 0.000 0.429 33 G N -1.270 107.492 108.800 -0.064 0.000 2.179 33 G HA2 -0.325 3.650 3.960 0.025 0.000 0.260 33 G HA3 -0.325 3.650 3.960 0.025 0.000 0.260 33 G C -0.009 174.874 174.900 -0.029 0.000 0.977 33 G CA 0.532 45.603 45.100 -0.048 0.000 0.641 33 G HN 0.403 nan 8.290 nan 0.000 0.533 34 E N 0.034 120.215 120.200 -0.032 0.000 2.191 34 E HA 0.523 4.888 4.350 0.025 0.000 0.274 34 E C 0.229 176.829 176.600 -0.001 0.000 0.948 34 E CA -0.813 55.581 56.400 -0.009 0.000 0.802 34 E CB 2.155 31.852 29.700 -0.005 0.000 1.137 34 E HN 0.138 nan 8.360 nan 0.000 0.397 35 V N 3.251 123.179 119.914 0.023 0.000 2.415 35 V HA -0.017 4.118 4.120 0.025 0.000 0.267 35 V C 1.408 177.535 176.094 0.055 0.000 1.042 35 V CA 0.043 62.367 62.300 0.041 0.000 1.000 35 V CB 0.373 32.227 31.823 0.053 0.000 1.015 35 V HN 0.604 nan 8.190 nan 0.000 0.478 36 V N 3.273 123.226 119.914 0.065 0.000 3.644 36 V HA 0.418 4.553 4.120 0.025 0.000 0.267 36 V C 0.206 176.373 176.094 0.123 0.000 1.277 36 V CA 0.319 62.683 62.300 0.106 0.000 1.096 36 V CB 0.761 32.682 31.823 0.165 0.000 0.828 36 V HN 0.527 nan 8.190 nan 0.000 0.446 37 L N 1.725 123.018 121.223 0.118 0.000 2.543 37 L HA 0.644 4.999 4.340 0.025 0.000 0.265 37 L C -1.525 175.432 176.870 0.145 0.000 0.945 37 L CA -0.431 54.488 54.840 0.132 0.000 0.869 37 L CB 1.657 43.804 42.059 0.147 0.000 1.294 37 L HN 0.513 nan 8.230 nan 0.000 0.405 38 Q N 5.072 124.970 119.800 0.163 0.000 2.275 38 Q HA 0.407 4.762 4.340 0.025 0.000 0.258 38 Q C -2.106 174.052 176.000 0.263 0.000 0.960 38 Q CA -0.466 55.446 55.803 0.181 0.000 0.801 38 Q CB 1.504 30.320 28.738 0.128 0.000 1.302 38 Q HN 0.913 nan 8.270 nan 0.000 0.433 39 H N 1.895 121.067 119.070 0.171 0.000 2.974 39 H HA 0.747 5.318 4.556 0.025 0.000 0.366 39 H C -2.014 173.469 175.328 0.259 0.000 1.155 39 H CA -0.230 55.940 56.048 0.203 0.000 1.186 39 H CB 2.184 32.082 29.762 0.227 0.000 1.799 39 H HN 0.738 nan 8.280 nan 0.000 0.541 40 A N 3.747 126.375 122.820 -0.319 0.000 2.355 40 A HA 0.603 4.937 4.320 0.025 0.000 0.324 40 A C -1.622 175.726 177.584 -0.393 0.000 1.117 40 A CA -0.612 51.249 52.037 -0.292 0.000 0.785 40 A CB 0.931 19.816 19.000 -0.191 0.000 1.254 40 A HN 0.694 nan 8.150 nan 0.000 0.453 41 W N 0.659 121.748 121.300 -0.351 0.000 3.062 41 W HA 0.689 5.364 4.660 0.025 0.000 0.336 41 W C 0.310 176.702 176.519 -0.212 0.000 1.224 41 W CA -0.415 56.763 57.345 -0.278 0.000 1.159 41 W CB 0.314 29.679 29.460 -0.158 0.000 1.454 41 W HN 2.043 nan 8.180 nan 0.000 0.569 42 G N 0.634 109.355 108.800 -0.131 0.000 2.601 42 G HA2 -0.181 3.794 3.960 0.025 0.000 0.252 42 G HA3 -0.181 3.794 3.960 0.025 0.000 0.252 42 G C -1.303 173.275 174.900 -0.535 0.000 1.294 42 G CA -0.043 44.883 45.100 -0.290 0.000 0.912 42 G HN 0.968 nan 8.290 nan 0.000 0.574 43 F N 0.458 120.324 119.950 -0.140 0.000 2.508 43 F HA 0.677 5.218 4.527 0.024 0.000 0.325 43 F C 1.388 177.148 175.800 -0.067 0.000 1.090 43 F CA 0.150 58.092 58.000 -0.096 0.000 0.945 43 F CB 2.017 40.960 39.000 -0.094 0.000 1.156 43 F HN 0.764 nan 8.300 nan 0.000 0.463 44 A N 0.558 123.485 122.820 0.178 0.000 2.016 44 A HA 0.023 4.358 4.320 0.025 0.000 0.217 44 A C 0.216 177.942 177.584 0.236 0.000 1.162 44 A CA 1.165 53.306 52.037 0.175 0.000 0.662 44 A CB -0.179 18.902 19.000 0.135 0.000 0.812 44 A HN 0.661 nan 8.150 nan 0.000 0.450 45 D N -0.987 119.559 120.400 0.242 0.000 2.763 45 D HA 0.337 4.992 4.640 0.025 0.000 0.235 45 D C 0.304 176.650 176.300 0.076 0.000 1.334 45 D CA -0.385 53.745 54.000 0.216 0.000 0.950 45 D CB 1.221 42.097 40.800 0.126 0.000 1.433 45 D HN 0.060 nan 8.370 nan 0.000 0.580 46 L N 2.891 124.122 121.223 0.013 0.000 2.291 46 L HA 0.050 4.405 4.340 0.025 0.000 0.214 46 L C 2.460 179.184 176.870 -0.244 0.000 1.120 46 L CA 0.598 55.269 54.840 -0.281 0.000 0.799 46 L CB 0.005 41.884 42.059 -0.301 0.000 0.925 46 L HN 0.306 nan 8.230 nan 0.000 0.446 47 R N 0.147 120.598 120.500 -0.082 0.000 2.090 47 R HA -0.083 4.272 4.340 0.025 0.000 0.219 47 R C 2.299 178.556 176.300 -0.072 0.000 1.100 47 R CA 1.481 57.540 56.100 -0.069 0.000 0.991 47 R CB -0.076 30.220 30.300 -0.008 0.000 0.893 47 R HN 0.314 nan 8.270 nan 0.000 0.443 48 T N -1.710 112.821 114.554 -0.039 0.000 3.113 48 T HA 0.112 4.477 4.350 0.025 0.000 0.256 48 T C 0.396 175.079 174.700 -0.028 0.000 1.131 48 T CA 0.210 62.297 62.100 -0.022 0.000 1.074 48 T CB -0.181 68.691 68.868 0.006 0.000 0.944 48 T HN 0.380 nan 8.240 nan 0.000 0.516 49 R N 0.654 121.092 120.500 -0.102 0.000 3.423 49 R HA -0.104 4.251 4.340 0.025 0.000 0.271 49 R C -0.883 175.556 176.300 0.231 0.000 1.093 49 R CA 0.678 56.697 56.100 -0.135 0.000 0.730 49 R CB -2.976 27.247 30.300 -0.129 0.000 1.190 49 R HN 0.411 nan 8.270 nan 0.000 0.437 50 T N 2.167 116.865 114.554 0.241 0.000 2.729 50 T HA 0.313 4.678 4.350 0.025 0.000 0.296 50 T C -2.076 172.796 174.700 0.286 0.000 0.928 50 T CA -1.282 60.949 62.100 0.219 0.000 1.045 50 T CB 1.319 70.260 68.868 0.121 0.000 0.902 50 T HN -0.018 nan 8.240 nan 0.000 0.500 51 P HA 0.189 nan 4.420 nan 0.000 0.269 51 P C -0.238 177.017 177.300 -0.075 0.000 1.215 51 P CA -0.709 62.325 63.100 -0.110 0.000 0.780 51 P CB 0.450 32.052 31.700 -0.163 0.000 0.898 52 M N 2.641 122.142 119.600 -0.165 0.000 2.217 52 M HA 0.329 4.824 4.480 0.025 0.000 0.354 52 M C -0.117 176.109 176.300 -0.123 0.000 1.225 52 M CA 0.678 55.901 55.300 -0.129 0.000 1.137 52 M CB -0.030 32.432 32.600 -0.230 0.000 1.576 52 M HN 0.483 nan 8.290 nan 0.000 0.461 53 T N 1.782 116.293 114.554 -0.070 0.000 2.907 53 T HA 0.511 4.876 4.350 0.025 0.000 0.290 53 T C 0.773 175.451 174.700 -0.038 0.000 1.066 53 T CA -1.009 61.059 62.100 -0.053 0.000 1.012 53 T CB 0.696 69.549 68.868 -0.025 0.000 1.184 53 T HN 0.665 nan 8.240 nan 0.000 0.522 54 L N -0.035 121.177 121.223 -0.019 0.000 2.362 54 L HA 0.110 4.465 4.340 0.025 0.000 0.219 54 L C 1.225 178.097 176.870 0.002 0.000 1.134 54 L CA 0.935 55.776 54.840 0.000 0.000 0.807 54 L CB -0.288 41.783 42.059 0.020 0.000 0.927 54 L HN 0.682 nan 8.230 nan 0.000 0.447 55 D N -1.014 119.385 120.400 -0.001 0.000 2.402 55 D HA 0.069 4.724 4.640 0.025 0.000 0.216 55 D C 0.293 176.595 176.300 0.005 0.000 1.128 55 D CA 0.187 54.186 54.000 -0.002 0.000 0.833 55 D CB 0.572 41.370 40.800 -0.002 0.000 0.971 55 D HN 0.086 nan 8.370 nan 0.000 0.503 56 T N 1.858 116.420 114.554 0.013 0.000 2.752 56 T HA 0.174 4.539 4.350 0.025 0.000 0.295 56 T C 0.817 175.556 174.700 0.065 0.000 0.923 56 T CA -0.229 61.897 62.100 0.043 0.000 1.112 56 T CB 1.114 70.013 68.868 0.051 0.000 0.884 56 T HN -0.091 nan 8.240 nan 0.000 0.525 57 R N 3.378 123.937 120.500 0.097 0.000 2.539 57 R HA 0.592 4.947 4.340 0.025 0.000 0.275 57 R C 0.026 176.439 176.300 0.189 0.000 1.077 57 R CA -0.110 56.050 56.100 0.101 0.000 1.097 57 R CB 0.647 31.032 30.300 0.142 0.000 1.018 57 R HN 0.543 nan 8.270 nan 0.000 0.483 58 M N 2.043 121.588 119.600 -0.092 0.000 2.575 58 M HA 0.369 4.864 4.480 0.025 0.000 0.284 58 M C -2.486 173.374 176.300 -0.732 0.000 1.253 58 M CA -2.295 52.769 55.300 -0.394 0.000 0.861 58 M CB 2.836 35.337 32.600 -0.165 0.000 1.733 58 M HN 0.285 nan 8.290 nan 0.000 0.462 59 P HA 0.148 nan 4.420 nan 0.000 0.271 59 P C 0.117 177.121 177.300 -0.494 0.000 1.220 59 P CA 0.047 62.655 63.100 -0.820 0.000 0.768 59 P CB 0.045 31.212 31.700 -0.889 0.000 0.848 60 I N -0.542 119.811 120.570 -0.361 0.000 3.883 60 I HA 0.052 4.237 4.170 0.025 0.000 0.326 60 I C 0.618 176.608 176.117 -0.212 0.000 1.283 60 I CA -0.240 60.915 61.300 -0.241 0.000 1.161 60 I CB -0.660 37.211 38.000 -0.216 0.000 1.012 60 I HN 0.207 nan 8.210 nan 0.000 0.421 61 C N 0.891 120.028 119.300 -0.272 0.000 0.187 61 C HA -0.334 4.141 4.460 0.025 0.000 0.018 61 C C 2.500 177.284 174.990 -0.344 0.000 0.174 61 C CA 1.184 60.006 59.018 -0.326 0.000 0.500 61 C CB -1.940 25.748 27.740 -0.086 0.000 3.212 61 C HN 0.686 nan 8.230 nan 0.000 1.118 62 S N 0.540 116.127 115.700 -0.188 0.000 2.547 62 S HA -0.016 4.469 4.470 0.025 0.000 0.235 62 S C 1.221 175.666 174.600 -0.259 0.000 0.980 62 S CA 1.150 59.258 58.200 -0.154 0.000 0.941 62 S CB -0.189 63.109 63.200 0.164 0.000 0.763 62 S HN 0.551 nan 8.310 nan 0.000 0.532 63 V N 1.470 121.294 119.914 -0.149 0.000 3.078 63 V HA -0.080 4.055 4.120 0.025 0.000 0.265 63 V C 1.978 178.040 176.094 -0.053 0.000 1.122 63 V CA 1.229 63.467 62.300 -0.103 0.000 1.141 63 V CB -0.753 31.068 31.823 -0.004 0.000 0.735 63 V HN 0.433 nan 8.190 nan 0.000 0.498 64 S N -0.195 115.422 115.700 -0.138 0.000 2.447 64 S HA -0.130 4.355 4.470 0.025 0.000 0.233 64 S C 1.934 176.502 174.600 -0.055 0.000 1.006 64 S CA 0.887 59.054 58.200 -0.055 0.000 0.957 64 S CB -0.175 62.895 63.200 -0.216 0.000 0.773 64 S HN 0.636 nan 8.310 nan 0.000 0.507 65 K N 1.702 121.934 120.400 -0.279 0.000 2.103 65 K HA -0.200 4.135 4.320 0.025 0.000 0.207 65 K C 2.505 179.008 176.600 -0.161 0.000 1.048 65 K CA 1.474 57.541 56.287 -0.367 0.000 0.930 65 K CB -0.238 31.715 32.500 -0.913 0.000 0.716 65 K HN 0.614 nan 8.250 nan 0.000 0.444 66 Q N 0.091 119.777 119.800 -0.190 0.000 2.167 66 Q HA -0.133 4.222 4.340 0.025 0.000 0.202 66 Q C 1.721 177.610 176.000 -0.184 0.000 0.970 66 Q CA 1.381 57.096 55.803 -0.147 0.000 0.855 66 Q CB -0.366 28.273 28.738 -0.164 0.000 0.911 66 Q HN 0.256 nan 8.270 nan 0.000 0.438 67 F N 2.011 121.890 119.950 -0.118 0.000 2.259 67 F HA -0.101 4.440 4.527 0.025 0.000 0.298 67 F C 2.881 178.622 175.800 -0.098 0.000 1.088 67 F CA 1.531 59.426 58.000 -0.174 0.000 1.358 67 F CB -0.503 38.333 39.000 -0.275 0.000 1.040 67 F HN 0.228 nan 8.300 nan 0.000 0.505 68 T N -1.706 112.913 114.554 0.109 0.000 2.904 68 T HA -0.167 4.198 4.350 0.025 0.000 0.267 68 T C 2.048 176.816 174.700 0.112 0.000 1.059 68 T CA 1.824 63.979 62.100 0.092 0.000 1.137 68 T CB -0.872 68.057 68.868 0.100 0.000 0.879 68 T HN 0.340 nan 8.240 nan 0.000 0.467 69 C N 1.486 120.880 119.300 0.157 0.000 2.450 69 C HA 0.392 4.867 4.460 0.025 0.000 0.279 69 C C 3.318 178.360 174.990 0.086 0.000 1.335 69 C CA 0.256 59.390 59.018 0.194 0.000 1.749 69 C CB -1.488 26.458 27.740 0.344 0.000 1.963 69 C HN 0.755 nan 8.230 nan 0.000 0.501 70 A N 0.473 123.323 122.820 0.050 0.000 1.902 70 A HA -0.108 4.227 4.320 0.025 0.000 0.217 70 A C 2.294 179.893 177.584 0.026 0.000 1.181 70 A CA 2.073 54.135 52.037 0.041 0.000 0.623 70 A CB -0.771 18.284 19.000 0.092 0.000 0.818 70 A HN 0.348 nan 8.150 nan 0.000 0.443 71 V N -0.099 119.825 119.914 0.016 0.000 2.287 71 V HA -0.264 3.871 4.120 0.025 0.000 0.248 71 V C 2.520 178.614 176.094 -0.001 0.000 1.053 71 V CA 2.069 64.364 62.300 -0.008 0.000 1.027 71 V CB -0.857 30.950 31.823 -0.027 0.000 0.646 71 V HN 0.648 nan 8.190 nan 0.000 0.447 72 L N -0.182 121.049 121.223 0.012 0.000 1.990 72 L HA -0.206 4.149 4.340 0.025 0.000 0.213 72 L C 2.209 179.072 176.870 -0.012 0.000 1.072 72 L CA 2.118 56.959 54.840 0.003 0.000 0.755 72 L CB -0.548 41.534 42.059 0.039 0.000 0.889 72 L HN 0.220 nan 8.230 nan 0.000 0.432 73 L N -0.794 120.415 121.223 -0.023 0.000 2.093 73 L HA -0.174 4.181 4.340 0.025 0.000 0.208 73 L C 2.272 179.126 176.870 -0.028 0.000 1.085 73 L CA 1.587 56.395 54.840 -0.053 0.000 0.755 73 L CB -0.723 41.263 42.059 -0.122 0.000 0.904 73 L HN 0.403 nan 8.230 nan 0.000 0.435 74 D N -0.037 120.358 120.400 -0.008 0.000 2.103 74 D HA -0.121 4.534 4.640 0.025 0.000 0.199 74 D C 1.991 178.295 176.300 0.007 0.000 0.978 74 D CA 1.289 55.293 54.000 0.007 0.000 0.829 74 D CB 0.212 41.023 40.800 0.018 0.000 0.981 74 D HN 0.224 nan 8.370 nan 0.000 0.464 75 A N -0.901 121.922 122.820 0.006 0.000 2.169 75 A HA 0.276 4.611 4.320 0.025 0.000 0.210 75 A C 1.787 179.396 177.584 0.042 0.000 1.168 75 A CA 0.277 52.325 52.037 0.019 0.000 0.813 75 A CB 0.519 19.527 19.000 0.014 0.000 0.861 75 A HN 0.208 nan 8.150 nan 0.000 0.481 76 V N -1.875 118.048 119.914 0.014 0.000 2.950 76 V HA 0.534 4.669 4.120 0.025 0.000 0.231 76 V C 1.334 177.414 176.094 -0.022 0.000 1.205 76 V CA 0.962 63.255 62.300 -0.010 0.000 1.239 76 V CB -0.144 31.595 31.823 -0.139 0.000 1.050 76 V HN 0.949 nan 8.190 nan 0.000 0.498 77 G N 0.058 108.837 108.800 -0.035 0.000 2.236 77 G HA2 -0.013 3.961 3.960 0.025 0.000 0.231 77 G HA3 -0.013 3.961 3.960 0.025 0.000 0.231 77 G C -1.303 173.577 174.900 -0.033 0.000 1.334 77 G CA -0.611 44.472 45.100 -0.028 0.000 1.137 77 G HN 0.136 nan 8.290 nan 0.000 0.482 78 E N 1.526 121.714 120.200 -0.021 0.000 2.390 78 E HA 0.257 4.622 4.350 0.025 0.000 0.261 78 E C -1.332 175.271 176.600 0.005 0.000 1.076 78 E CA -0.968 55.437 56.400 0.008 0.000 0.905 78 E CB 1.125 30.834 29.700 0.015 0.000 0.984 78 E HN 0.148 nan 8.360 nan 0.000 0.427 79 P HA -0.146 nan 4.420 nan 0.000 0.219 79 P C 0.705 177.982 177.300 -0.039 0.000 1.146 79 P CA 1.165 64.271 63.100 0.009 0.000 0.808 79 P CB 0.346 32.070 31.700 0.040 0.000 0.779 80 E N -0.656 119.531 120.200 -0.021 0.000 2.209 80 E HA -0.141 4.224 4.350 0.025 0.000 0.196 80 E C 1.701 178.273 176.600 -0.046 0.000 0.993 80 E CA 0.694 57.076 56.400 -0.030 0.000 0.819 80 E CB -1.021 28.673 29.700 -0.011 0.000 0.745 80 E HN 0.123 nan 8.360 nan 0.000 0.477 81 L N -0.394 120.791 121.223 -0.063 0.000 2.353 81 L HA -0.085 4.270 4.340 0.025 0.000 0.220 81 L C 1.497 178.291 176.870 -0.128 0.000 1.133 81 L CA 1.379 56.168 54.840 -0.085 0.000 0.798 81 L CB -0.264 41.722 42.059 -0.121 0.000 0.922 81 L HN 0.206 nan 8.230 nan 0.000 0.445 82 L N -1.752 119.387 121.223 -0.139 0.000 2.693 82 L HA 0.088 4.443 4.340 0.025 0.000 0.235 82 L C 1.518 178.330 176.870 -0.098 0.000 1.127 82 L CA -0.181 54.575 54.840 -0.139 0.000 0.914 82 L CB -0.088 41.866 42.059 -0.175 0.000 1.193 82 L HN 0.096 nan 8.230 nan 0.000 0.502 83 D N 0.976 121.329 120.400 -0.079 0.000 2.149 83 D HA -0.189 4.466 4.640 0.025 0.000 0.198 83 D C 1.442 177.709 176.300 -0.054 0.000 0.990 83 D CA 1.333 55.289 54.000 -0.072 0.000 0.839 83 D CB 0.189 40.955 40.800 -0.057 0.000 0.948 83 D HN 0.279 nan 8.370 nan 0.000 0.460 84 D N 0.403 120.784 120.400 -0.032 0.000 2.117 84 D HA -0.091 4.564 4.640 0.025 0.000 0.197 84 D C 2.011 178.305 176.300 -0.010 0.000 0.987 84 D CA 1.157 55.149 54.000 -0.014 0.000 0.829 84 D CB -0.258 40.543 40.800 0.002 0.000 0.961 84 D HN 0.132 nan 8.370 nan 0.000 0.460 85 A N 0.581 123.395 122.820 -0.009 0.000 1.969 85 A HA -0.111 4.224 4.320 0.025 0.000 0.218 85 A C 2.124 179.705 177.584 -0.006 0.000 1.169 85 A CA 0.778 52.819 52.037 0.005 0.000 0.635 85 A CB -0.588 18.418 19.000 0.011 0.000 0.810 85 A HN 0.232 nan 8.150 nan 0.000 0.445 86 L N 0.255 121.441 121.223 -0.063 0.000 2.083 86 L HA -0.139 4.216 4.340 0.025 0.000 0.209 86 L C 2.226 179.068 176.870 -0.046 0.000 1.083 86 L CA 2.574 57.358 54.840 -0.094 0.000 0.752 86 L CB -0.564 41.397 42.059 -0.163 0.000 0.899 86 L HN 0.619 nan 8.230 nan 0.000 0.433 87 E N -0.607 119.567 120.200 -0.042 0.000 2.077 87 E HA -0.234 4.130 4.350 0.025 0.000 0.193 87 E C 2.009 178.611 176.600 0.005 0.000 0.989 87 E CA 1.175 57.558 56.400 -0.028 0.000 0.800 87 E CB -0.139 29.549 29.700 -0.021 0.000 0.746 87 E HN 0.599 nan 8.360 nan 0.000 0.452 88 A N -0.257 122.576 122.820 0.022 0.000 2.016 88 A HA -0.118 4.217 4.320 0.025 0.000 0.217 88 A C 1.894 179.506 177.584 0.046 0.000 1.162 88 A CA 0.897 52.950 52.037 0.027 0.000 0.662 88 A CB -0.602 18.414 19.000 0.027 0.000 0.812 88 A HN 0.538 nan 8.150 nan 0.000 0.450 89 Y N 0.083 120.342 120.300 -0.068 0.000 2.184 89 Y HA 0.147 4.712 4.550 0.025 0.000 0.290 89 Y C 0.912 176.765 175.900 -0.079 0.000 1.129 89 Y CA 1.152 59.205 58.100 -0.077 0.000 1.144 89 Y CB 0.040 38.441 38.460 -0.099 0.000 0.995 89 Y HN 0.118 nan 8.280 nan 0.000 0.513 90 L N 2.527 123.825 121.223 0.126 0.000 2.648 90 L HA 0.078 4.433 4.340 0.025 0.000 0.238 90 L C 0.742 177.645 176.870 0.055 0.000 1.316 90 L CA -0.110 54.761 54.840 0.051 0.000 1.241 90 L CB -0.227 41.767 42.059 -0.109 0.000 1.499 90 L HN 0.388 nan 8.230 nan 0.000 0.411 91 D N -0.076 120.330 120.400 0.011 0.000 2.312 91 D HA -0.177 4.478 4.640 0.025 0.000 0.211 91 D C 1.069 177.388 176.300 0.030 0.000 0.964 91 D CA 0.845 54.852 54.000 0.011 0.000 0.877 91 D CB 0.250 41.034 40.800 -0.027 0.000 0.924 91 D HN 0.333 nan 8.370 nan 0.000 0.515 92 K N -0.676 119.751 120.400 0.045 0.000 2.397 92 K HA 0.126 4.460 4.320 0.025 0.000 0.202 92 K C -0.105 176.527 176.600 0.054 0.000 1.022 92 K CA -0.611 55.690 56.287 0.023 0.000 1.141 92 K CB 0.148 32.634 32.500 -0.024 0.000 0.857 92 K HN -0.039 nan 8.250 nan 0.000 0.514 93 F N 2.283 122.202 119.950 -0.051 0.000 2.578 93 F HA -0.076 4.466 4.527 0.025 0.000 0.376 93 F C 1.270 177.045 175.800 -0.042 0.000 1.085 93 F CA 0.745 58.716 58.000 -0.049 0.000 1.260 93 F CB 0.644 39.618 39.000 -0.045 0.000 1.095 93 F HN 0.066 nan 8.300 nan 0.000 0.573 94 E N 1.172 121.176 120.200 -0.326 0.000 2.389 94 E HA 0.015 4.380 4.350 0.025 0.000 0.199 94 E C -0.135 176.386 176.600 -0.131 0.000 0.978 94 E CA 0.105 56.394 56.400 -0.184 0.000 0.912 94 E CB 0.332 29.904 29.700 -0.213 0.000 0.907 94 E HN 0.556 nan 8.360 nan 0.000 0.494 95 D N 0.828 121.109 120.400 -0.198 0.000 2.549 95 D HA 0.065 4.720 4.640 0.025 0.000 0.270 95 D C -0.292 176.138 176.300 0.218 0.000 1.181 95 D CA -0.409 53.584 54.000 -0.012 0.000 1.070 95 D CB 0.695 41.458 40.800 -0.061 0.000 1.154 95 D HN -0.098 nan 8.370 nan 0.000 0.602 96 E N 0.684 120.987 120.200 0.171 0.000 2.366 96 E HA 0.030 4.395 4.350 0.025 0.000 0.266 96 E C -0.360 176.357 176.600 0.195 0.000 1.015 96 E CA -0.193 56.299 56.400 0.154 0.000 0.906 96 E CB 0.551 30.308 29.700 0.094 0.000 0.979 96 E HN 0.144 nan 8.360 nan 0.000 0.443 97 R N 4.753 125.300 120.500 0.078 0.000 2.594 97 R HA 0.200 4.555 4.340 0.025 0.000 0.272 97 R C -1.857 174.358 176.300 -0.142 0.000 1.074 97 R CA -1.373 54.609 56.100 -0.197 0.000 1.105 97 R CB 0.169 30.291 30.300 -0.296 0.000 1.008 97 R HN 0.520 nan 8.270 nan 0.000 0.472 98 P HA 0.058 nan 4.420 nan 0.000 0.272 98 P C -0.923 176.294 177.300 -0.138 0.000 1.230 98 P CA -0.271 62.752 63.100 -0.129 0.000 0.788 98 P CB 0.674 32.278 31.700 -0.159 0.000 0.949 99 A N 1.518 124.281 122.820 -0.094 0.000 2.332 99 A HA 0.212 4.547 4.320 0.025 0.000 0.258 99 A C 1.625 179.129 177.584 -0.135 0.000 1.087 99 A CA -0.512 51.468 52.037 -0.096 0.000 0.802 99 A CB -0.187 18.777 19.000 -0.060 0.000 1.042 99 A HN 0.350 nan 8.150 nan 0.000 0.489 100 V N 1.589 121.420 119.914 -0.137 0.000 2.469 100 V HA -0.229 3.906 4.120 0.025 0.000 0.251 100 V C 2.623 178.616 176.094 -0.168 0.000 1.064 100 V CA 2.444 64.643 62.300 -0.167 0.000 1.066 100 V CB -1.049 30.686 31.823 -0.146 0.000 0.667 100 V HN 0.996 nan 8.190 nan 0.000 0.461 101 R N 0.167 120.591 120.500 -0.127 0.000 2.105 101 R HA -0.188 4.167 4.340 0.025 0.000 0.239 101 R C 1.949 178.136 176.300 -0.188 0.000 1.135 101 R CA 1.943 57.949 56.100 -0.157 0.000 0.967 101 R CB -0.280 29.968 30.300 -0.086 0.000 0.861 101 R HN 0.532 nan 8.270 nan 0.000 0.442 102 D N 0.353 120.676 120.400 -0.128 0.000 2.178 102 D HA -0.135 4.520 4.640 0.025 0.000 0.202 102 D C 1.850 178.061 176.300 -0.148 0.000 0.974 102 D CA 0.707 54.654 54.000 -0.089 0.000 0.841 102 D CB -0.032 40.745 40.800 -0.040 0.000 0.953 102 D HN 0.161 nan 8.370 nan 0.000 0.478 103 L N 0.840 121.920 121.223 -0.239 0.000 2.012 103 L HA -0.173 4.182 4.340 0.025 0.000 0.210 103 L C 2.636 179.206 176.870 -0.499 0.000 1.073 103 L CA 1.204 55.815 54.840 -0.382 0.000 0.748 103 L CB -0.964 40.842 42.059 -0.421 0.000 0.891 103 L HN 0.124 nan 8.230 nan 0.000 0.431 104 C N -0.286 118.777 119.300 -0.395 0.000 2.422 104 C HA -0.113 4.362 4.460 0.025 0.000 0.279 104 C C 2.078 177.056 174.990 -0.021 0.000 1.305 104 C CA 0.677 59.519 59.018 -0.293 0.000 1.757 104 C CB -1.139 26.307 27.740 -0.489 0.000 1.962 104 C HN 0.570 nan 8.230 nan 0.000 0.499 105 N N 0.700 119.365 118.700 -0.058 0.000 2.270 105 N HA 0.026 4.781 4.740 0.025 0.000 0.198 105 N C 0.009 175.708 175.510 0.315 0.000 1.117 105 N CA 0.244 53.403 53.050 0.182 0.000 0.845 105 N CB -0.480 38.015 38.487 0.014 0.000 0.980 105 N HN 0.361 nan 8.380 nan 0.000 0.486 106 N N 0.995 119.779 118.700 0.141 0.000 2.740 106 N HA -0.186 4.569 4.740 0.025 0.000 0.248 106 N C -0.463 175.140 175.510 0.154 0.000 1.062 106 N CA 0.590 53.657 53.050 0.028 0.000 0.704 106 N CB -1.131 37.245 38.487 -0.185 0.000 0.968 106 N HN 0.523 nan 8.380 nan 0.000 0.547 107 Q N -1.598 118.310 119.800 0.179 0.000 2.110 107 Q HA 0.161 4.516 4.340 0.025 0.000 0.232 107 Q C 1.312 177.481 176.000 0.283 0.000 0.810 107 Q CA 0.259 56.258 55.803 0.326 0.000 1.083 107 Q CB 0.494 29.419 28.738 0.312 0.000 1.193 107 Q HN 0.467 nan 8.270 nan 0.000 0.471 108 S N -1.056 114.702 115.700 0.096 0.000 2.414 108 S HA 0.031 4.516 4.470 0.025 0.000 0.227 108 S C 1.671 176.217 174.600 -0.089 0.000 1.022 108 S CA 1.014 59.196 58.200 -0.030 0.000 0.958 108 S CB 0.015 63.118 63.200 -0.162 0.000 0.797 108 S HN 0.529 nan 8.310 nan 0.000 0.493 109 G N 0.817 109.435 108.800 -0.304 0.000 2.199 109 G HA2 -0.219 3.755 3.960 0.025 0.000 0.254 109 G HA3 -0.219 3.755 3.960 0.025 0.000 0.254 109 G C 0.007 174.488 174.900 -0.698 0.000 0.982 109 G CA 0.240 44.843 45.100 -0.828 0.000 0.632 109 G HN 0.554 nan 8.290 nan 0.000 0.529 110 L N 0.920 121.865 121.223 -0.464 0.000 2.439 110 L HA 0.416 4.770 4.340 0.025 0.000 0.269 110 L C 1.339 177.848 176.870 -0.603 0.000 1.179 110 L CA -0.576 54.028 54.840 -0.393 0.000 0.828 110 L CB 0.447 42.366 42.059 -0.233 0.000 1.106 110 L HN 0.139 nan 8.230 nan 0.000 0.467 111 R N 0.944 121.134 120.500 -0.516 0.000 2.441 111 R HA 0.100 4.455 4.340 0.025 0.000 0.284 111 R C -0.546 175.672 176.300 -0.137 0.000 1.070 111 R CA -0.722 55.133 56.100 -0.409 0.000 1.047 111 R CB 0.552 30.723 30.300 -0.215 0.000 1.016 111 R HN 0.500 nan 8.270 nan 0.000 0.477 112 D N 1.757 122.130 120.400 -0.045 0.000 2.450 112 D HA -0.113 4.542 4.640 0.025 0.000 0.247 112 D C 0.978 177.353 176.300 0.124 0.000 1.162 112 D CA 0.225 54.268 54.000 0.072 0.000 0.879 112 D CB 0.508 41.382 40.800 0.124 0.000 1.163 112 D HN 0.540 nan 8.370 nan 0.000 0.472 113 Y N 1.940 122.188 120.300 -0.087 0.000 2.373 113 Y HA -0.006 4.559 4.550 0.025 0.000 0.293 113 Y C 1.397 177.215 175.900 -0.138 0.000 1.129 113 Y CA 0.077 58.094 58.100 -0.139 0.000 1.226 113 Y CB -0.459 37.855 38.460 -0.243 0.000 1.000 113 Y HN 0.479 nan 8.280 nan 0.000 0.549 114 W N 1.253 122.273 121.300 -0.467 0.000 2.388 114 W HA -0.044 4.631 4.660 0.025 0.000 0.294 114 W C 2.709 179.141 176.519 -0.144 0.000 1.212 114 W CA 1.208 58.293 57.345 -0.434 0.000 1.271 114 W CB -0.263 28.968 29.460 -0.382 0.000 1.126 114 W HN 0.169 nan 8.180 nan 0.000 0.535 115 A N 0.283 123.215 122.820 0.187 0.000 1.930 115 A HA -0.139 4.196 4.320 0.025 0.000 0.217 115 A C 1.903 179.666 177.584 0.298 0.000 1.175 115 A CA 1.205 53.381 52.037 0.232 0.000 0.627 115 A CB -0.967 18.134 19.000 0.168 0.000 0.815 115 A HN 0.293 nan 8.150 nan 0.000 0.443 116 L N 0.656 121.998 121.223 0.197 0.000 2.201 116 L HA -0.162 4.193 4.340 0.025 0.000 0.212 116 L C 2.918 179.831 176.870 0.072 0.000 1.105 116 L CA 1.357 56.278 54.840 0.133 0.000 0.775 116 L CB -0.537 41.595 42.059 0.121 0.000 0.913 116 L HN 0.632 nan 8.230 nan 0.000 0.440 117 S N -0.581 115.156 115.700 0.063 0.000 2.399 117 S HA -0.132 4.352 4.470 0.025 0.000 0.231 117 S C 1.903 176.494 174.600 -0.014 0.000 1.022 117 S CA 1.094 59.316 58.200 0.038 0.000 0.983 117 S CB -0.658 62.521 63.200 -0.034 0.000 0.803 117 S HN 0.183 nan 8.310 nan 0.000 0.480 118 V N 2.263 122.149 119.914 -0.046 0.000 2.343 118 V HA -0.104 4.031 4.120 0.025 0.000 0.247 118 V C 2.535 178.318 176.094 -0.519 0.000 1.051 118 V CA 1.833 64.003 62.300 -0.216 0.000 1.036 118 V CB -0.831 30.880 31.823 -0.185 0.000 0.654 118 V HN 0.515 nan 8.190 nan 0.000 0.451 119 L N -0.904 120.013 121.223 -0.511 0.000 2.275 119 L HA -0.146 4.209 4.340 0.025 0.000 0.215 119 L C 2.088 178.923 176.870 -0.058 0.000 1.119 119 L CA 0.838 55.403 54.840 -0.458 0.000 0.790 119 L CB -0.620 41.233 42.059 -0.345 0.000 0.919 119 L HN 0.386 nan 8.230 nan 0.000 0.443 120 C N 0.451 119.749 119.300 -0.003 0.000 2.613 120 C HA 0.329 4.804 4.460 0.025 0.000 0.273 120 C C 1.723 176.744 174.990 0.051 0.000 1.304 120 C CA 0.350 59.421 59.018 0.087 0.000 1.702 120 C CB -1.244 26.588 27.740 0.153 0.000 1.792 120 C HN 0.815 nan 8.230 nan 0.000 0.588 121 G N 0.547 109.391 108.800 0.073 0.000 2.131 121 G HA2 -0.018 3.957 3.960 0.025 0.000 0.223 121 G HA3 -0.018 3.957 3.960 0.025 0.000 0.223 121 G C 0.140 175.087 174.900 0.079 0.000 0.990 121 G CA 0.098 45.271 45.100 0.121 0.000 0.671 121 G HN 0.887 nan 8.290 nan 0.000 0.521 122 A N 0.029 122.874 122.820 0.043 0.000 2.462 122 A HA 0.489 4.824 4.320 0.025 0.000 0.243 122 A C 0.562 178.199 177.584 0.088 0.000 1.076 122 A CA 0.634 52.702 52.037 0.053 0.000 0.773 122 A CB 0.407 19.435 19.000 0.047 0.000 1.010 122 A HN 0.504 nan 8.150 nan 0.000 0.493 123 D N 1.974 122.422 120.400 0.081 0.000 2.302 123 D HA 0.269 4.923 4.640 0.025 0.000 0.248 123 D C -1.669 174.672 176.300 0.068 0.000 1.094 123 D CA -1.846 52.205 54.000 0.085 0.000 0.897 123 D CB 1.255 42.094 40.800 0.065 0.000 1.200 123 D HN 0.124 nan 8.370 nan 0.000 0.429 124 P HA -0.059 nan 4.420 nan 0.000 0.218 124 P C 0.108 177.408 177.300 -0.000 0.000 1.149 124 P CA 1.105 64.229 63.100 0.040 0.000 0.817 124 P CB 0.281 32.025 31.700 0.072 0.000 0.785 125 E N -0.654 119.555 120.200 0.014 0.000 2.496 125 E HA 0.241 4.606 4.350 0.025 0.000 0.200 125 E C 0.883 177.490 176.600 0.011 0.000 1.016 125 E CA -0.449 55.951 56.400 -0.001 0.000 0.962 125 E CB 0.179 29.884 29.700 0.008 0.000 1.071 125 E HN 0.127 nan 8.360 nan 0.000 0.457 126 G N 0.621 109.437 108.800 0.027 0.000 2.572 126 G HA2 0.243 4.218 3.960 0.025 0.000 0.261 126 G HA3 0.243 4.218 3.960 0.025 0.000 0.261 126 G C 0.181 175.125 174.900 0.073 0.000 1.197 126 G CA -0.496 44.636 45.100 0.054 0.000 0.870 126 G HN -0.001 nan 8.290 nan 0.000 0.548 127 V N 0.718 120.684 119.914 0.085 0.000 2.614 127 V HA 0.329 4.464 4.120 0.025 0.000 0.291 127 V C -0.463 175.755 176.094 0.208 0.000 1.049 127 V CA 0.164 62.528 62.300 0.106 0.000 1.038 127 V CB 0.909 32.773 31.823 0.068 0.000 0.980 127 V HN 0.519 nan 8.190 nan 0.000 0.481 128 F N 5.704 125.690 119.950 0.060 0.000 2.612 128 F HA 0.611 5.153 4.527 0.025 0.000 0.332 128 F C -0.512 175.366 175.800 0.129 0.000 1.167 128 F CA -0.581 57.487 58.000 0.114 0.000 0.970 128 F CB 0.981 40.117 39.000 0.226 0.000 1.234 128 F HN 0.288 nan 8.300 nan 0.000 0.453 129 L N 7.372 128.467 121.223 -0.214 0.000 2.416 129 L HA 0.457 4.812 4.340 0.025 0.000 0.262 129 L C -1.499 175.266 176.870 -0.175 0.000 1.093 129 L CA -1.917 52.855 54.840 -0.114 0.000 0.801 129 L CB 0.908 42.913 42.059 -0.091 0.000 1.191 129 L HN 0.404 nan 8.230 nan 0.000 0.459 130 P HA -0.178 nan 4.420 nan 0.000 0.216 130 P C 1.142 178.409 177.300 -0.054 0.000 1.150 130 P CA 1.398 64.501 63.100 0.004 0.000 0.837 130 P CB 0.171 31.898 31.700 0.046 0.000 0.786 131 A N -0.486 122.293 122.820 -0.070 0.000 1.969 131 A HA -0.236 4.099 4.320 0.025 0.000 0.218 131 A C 2.195 179.729 177.584 -0.084 0.000 1.169 131 A CA 1.479 53.477 52.037 -0.064 0.000 0.635 131 A CB -1.130 17.845 19.000 -0.042 0.000 0.810 131 A HN 0.220 nan 8.150 nan 0.000 0.445 132 Q N -0.669 119.015 119.800 -0.193 0.000 2.123 132 Q HA 0.023 4.378 4.340 0.025 0.000 0.199 132 Q C 2.430 178.312 176.000 -0.196 0.000 0.966 132 Q CA 1.039 56.725 55.803 -0.195 0.000 0.845 132 Q CB -0.358 28.033 28.738 -0.579 0.000 0.907 132 Q HN 0.664 nan 8.270 nan 0.000 0.439 133 A N 1.367 123.989 122.820 -0.330 0.000 1.883 133 A HA -0.279 4.056 4.320 0.025 0.000 0.217 133 A C 2.017 179.619 177.584 0.029 0.000 1.186 133 A CA 1.620 53.708 52.037 0.084 0.000 0.624 133 A CB -0.549 18.566 19.000 0.192 0.000 0.822 133 A HN 0.341 nan 8.150 nan 0.000 0.444 134 Q N -0.919 118.865 119.800 -0.026 0.000 2.124 134 Q HA -0.133 4.222 4.340 0.025 0.000 0.202 134 Q C 2.447 178.373 176.000 -0.124 0.000 0.977 134 Q CA 1.503 57.259 55.803 -0.077 0.000 0.850 134 Q CB -0.278 28.400 28.738 -0.101 0.000 0.901 134 Q HN 0.658 nan 8.270 nan 0.000 0.429 135 S N 0.635 116.276 115.700 -0.099 0.000 2.382 135 S HA -0.146 4.339 4.470 0.025 0.000 0.228 135 S C 1.793 176.261 174.600 -0.220 0.000 1.027 135 S CA 0.929 59.013 58.200 -0.193 0.000 0.991 135 S CB -0.091 62.977 63.200 -0.221 0.000 0.823 135 S HN 0.300 nan 8.310 nan 0.000 0.469 136 L N 1.226 122.447 121.223 -0.003 0.000 2.095 136 L HA 0.261 4.616 4.340 0.025 0.000 0.204 136 L C 1.994 178.873 176.870 0.014 0.000 1.080 136 L CA 1.533 56.423 54.840 0.084 0.000 0.759 136 L CB -0.712 41.598 42.059 0.418 0.000 0.914 136 L HN 0.350 nan 8.230 nan 0.000 0.439 137 L N -0.689 120.524 121.223 -0.018 0.000 2.093 137 L HA -0.113 4.241 4.340 0.025 0.000 0.208 137 L C 2.542 179.391 176.870 -0.035 0.000 1.085 137 L CA 1.068 55.885 54.840 -0.038 0.000 0.755 137 L CB -0.440 41.593 42.059 -0.044 0.000 0.904 137 L HN 0.182 nan 8.230 nan 0.000 0.435 138 R N 0.209 120.627 120.500 -0.136 0.000 2.307 138 R HA -0.052 4.303 4.340 0.025 0.000 0.199 138 R C 2.079 178.307 176.300 -0.120 0.000 1.000 138 R CA 0.409 56.391 56.100 -0.196 0.000 1.023 138 R CB -0.075 30.006 30.300 -0.365 0.000 0.908 138 R HN 0.467 nan 8.270 nan 0.000 0.473 139 R N -0.148 120.284 120.500 -0.113 0.000 2.276 139 R HA 0.078 4.433 4.340 0.025 0.000 0.196 139 R C 0.005 176.268 176.300 -0.061 0.000 0.961 139 R CA -0.083 55.953 56.100 -0.108 0.000 1.024 139 R CB -0.013 30.190 30.300 -0.161 0.000 0.940 139 R HN -0.100 nan 8.270 nan 0.000 0.480 140 L N 2.321 123.541 121.223 -0.005 0.000 2.490 140 L HA 0.055 4.410 4.340 0.025 0.000 0.274 140 L C 0.897 177.778 176.870 0.018 0.000 1.201 140 L CA 0.928 55.786 54.840 0.030 0.000 0.869 140 L CB 0.940 43.078 42.059 0.132 0.000 1.123 140 L HN 0.208 nan 8.230 nan 0.000 0.484 141 K N 0.109 120.356 120.400 -0.254 0.000 2.474 141 K HA 0.154 4.489 4.320 0.025 0.000 0.202 141 K C 0.151 176.019 176.600 -1.220 0.000 1.248 141 K CA 0.321 56.246 56.287 -0.604 0.000 0.946 141 K CB 0.858 33.154 32.500 -0.339 0.000 1.102 141 K HN 0.811 nan 8.250 nan 0.000 0.541 142 T N -0.636 113.451 114.554 -0.778 0.000 2.901 142 T HA 0.423 4.788 4.350 0.025 0.000 0.293 142 T C -0.044 174.498 174.700 -0.264 0.000 1.084 142 T CA -0.800 60.950 62.100 -0.584 0.000 1.008 142 T CB 2.008 70.694 68.868 -0.304 0.000 1.170 142 T HN 0.040 nan 8.240 nan 0.000 0.509 143 T N -1.621 112.857 114.554 -0.128 0.000 2.952 143 T HA 0.455 4.820 4.350 0.025 0.000 0.286 143 T C 0.826 175.454 174.700 -0.120 0.000 1.024 143 T CA -0.689 61.347 62.100 -0.107 0.000 1.029 143 T CB 0.951 69.801 68.868 -0.030 0.000 1.094 143 T HN 1.015 nan 8.240 nan 0.000 0.515 144 H N -0.404 118.479 119.070 -0.313 0.000 2.586 144 H HA 0.475 5.046 4.556 0.025 0.000 0.273 144 H C -0.465 174.738 175.328 -0.209 0.000 0.997 144 H CA -0.966 54.929 56.048 -0.255 0.000 1.177 144 H CB 0.001 29.617 29.762 -0.243 0.000 1.471 144 H HN 0.555 nan 8.280 nan 0.000 0.538 145 F N -0.916 119.129 119.950 0.160 0.000 2.741 145 F HA 0.439 4.980 4.527 0.025 0.000 0.311 145 F C -1.167 174.693 175.800 0.100 0.000 1.149 145 F CA -1.757 56.272 58.000 0.049 0.000 0.930 145 F CB 1.057 39.997 39.000 -0.099 0.000 1.312 145 F HN -0.181 nan 8.300 nan 0.000 0.450 146 E N 2.301 122.768 120.200 0.446 0.000 2.360 146 E HA 0.256 4.621 4.350 0.025 0.000 0.269 146 E C -2.472 174.360 176.600 0.387 0.000 1.022 146 E CA -1.542 55.040 56.400 0.304 0.000 0.887 146 E CB 0.358 30.181 29.700 0.205 0.000 0.990 146 E HN 0.254 nan 8.360 nan 0.000 0.426 147 P HA -0.065 nan 4.420 nan 0.000 0.264 147 P C 0.617 178.049 177.300 0.220 0.000 1.183 147 P CA 0.923 64.161 63.100 0.230 0.000 0.763 147 P CB 0.511 32.276 31.700 0.107 0.000 0.807 148 G N 2.422 111.375 108.800 0.256 0.000 2.205 148 G HA2 -0.317 3.658 3.960 0.025 0.000 0.261 148 G HA3 -0.317 3.658 3.960 0.025 0.000 0.261 148 G C 1.177 176.200 174.900 0.205 0.000 0.980 148 G CA 0.645 45.882 45.100 0.228 0.000 0.632 148 G HN 0.607 nan 8.290 nan 0.000 0.533 149 S N -1.031 114.736 115.700 0.111 0.000 2.458 149 S HA 0.434 4.919 4.470 0.025 0.000 0.223 149 S C 0.792 174.974 174.600 -0.696 0.000 1.019 149 S CA 1.235 59.343 58.200 -0.154 0.000 0.937 149 S CB 0.241 63.437 63.200 -0.008 0.000 0.788 149 S HN 0.773 nan 8.310 nan 0.000 0.511 150 H N -1.563 117.111 119.070 -0.660 0.000 2.966 150 H HA 0.566 5.136 4.556 0.024 0.000 0.330 150 H C -1.804 173.281 175.328 -0.404 0.000 1.292 150 H CA -0.873 54.572 56.048 -1.004 0.000 1.127 150 H CB 1.036 29.832 29.762 -1.609 0.000 1.863 150 H HN 0.256 nan 8.280 nan 0.000 0.543 151 Y N 1.213 121.472 120.300 -0.068 0.000 2.377 151 Y HA 0.616 5.181 4.550 0.024 0.000 0.339 151 Y C -0.843 175.193 175.900 0.228 0.000 1.011 151 Y CA -0.471 57.805 58.100 0.294 0.000 1.093 151 Y CB 1.410 40.156 38.460 0.477 0.000 1.201 151 Y HN 0.657 nan 8.280 nan 0.000 0.455 152 S N 4.850 120.264 115.700 -0.476 0.000 2.533 152 S HA 0.297 4.782 4.470 0.025 0.000 0.271 152 S C -1.829 172.345 174.600 -0.709 0.000 1.143 152 S CA -0.859 56.917 58.200 -0.706 0.000 0.891 152 S CB 0.691 63.606 63.200 -0.475 0.000 1.105 152 S HN 0.794 nan 8.310 nan 0.000 0.468 153 Y N 2.125 122.091 120.300 -0.556 0.000 2.436 153 Y HA 0.492 5.057 4.550 0.026 0.000 0.336 153 Y C -0.050 175.828 175.900 -0.037 0.000 1.049 153 Y CA -0.050 57.955 58.100 -0.159 0.000 1.294 153 Y CB 0.474 39.084 38.460 0.249 0.000 1.179 153 Y HN 1.001 nan 8.280 nan 0.000 0.520 154 C N 7.709 126.800 119.300 -0.349 0.000 2.407 154 C HA 0.345 4.820 4.460 0.025 0.000 0.328 154 C C 0.695 175.633 174.990 -0.085 0.000 1.137 154 C CA -0.943 57.977 59.018 -0.163 0.000 1.390 154 C CB -0.785 26.856 27.740 -0.165 0.000 1.989 154 C HN 1.069 nan 8.230 nan 0.000 0.432 155 N N 2.622 121.357 118.700 0.057 0.000 2.223 155 N HA -0.022 4.733 4.740 0.025 0.000 0.185 155 N C 1.974 177.690 175.510 0.343 0.000 1.016 155 N CA 1.584 54.800 53.050 0.277 0.000 0.863 155 N CB 0.091 38.897 38.487 0.532 0.000 0.983 155 N HN 0.917 nan 8.380 nan 0.000 0.429 156 G N 1.034 109.985 108.800 0.253 0.000 2.450 156 G HA2 -0.293 3.682 3.960 0.025 0.000 0.220 156 G HA3 -0.293 3.682 3.960 0.025 0.000 0.220 156 G C 1.476 176.262 174.900 -0.190 0.000 1.130 156 G CA 0.777 45.819 45.100 -0.097 0.000 0.760 156 G HN 0.245 nan 8.290 nan 0.000 0.557 157 N N 0.686 119.266 118.700 -0.199 0.000 2.061 157 N HA -0.110 4.645 4.740 0.025 0.000 0.193 157 N C 1.780 176.965 175.510 -0.541 0.000 1.030 157 N CA 1.152 53.938 53.050 -0.440 0.000 0.856 157 N CB -0.528 37.575 38.487 -0.641 0.000 1.023 157 N HN 0.436 nan 8.380 nan 0.000 0.424 158 F N 0.263 120.147 119.950 -0.110 0.000 2.416 158 F HA 0.133 4.675 4.527 0.025 0.000 0.296 158 F C 2.370 178.121 175.800 -0.081 0.000 1.099 158 F CA 0.148 58.102 58.000 -0.078 0.000 1.427 158 F CB -0.079 38.897 39.000 -0.040 0.000 1.079 158 F HN -0.091 nan 8.300 nan 0.000 0.536 159 R N 1.230 121.760 120.500 0.049 0.000 2.090 159 R HA -0.027 4.328 4.340 0.025 0.000 0.228 159 R C 1.904 178.110 176.300 -0.156 0.000 1.110 159 R CA 1.417 57.499 56.100 -0.030 0.000 0.973 159 R CB -0.864 29.334 30.300 -0.170 0.000 0.869 159 R HN 0.300 nan 8.270 nan 0.000 0.440 160 I N 0.023 120.425 120.570 -0.281 0.000 2.252 160 I HA -0.266 3.919 4.170 0.025 0.000 0.245 160 I C 2.115 177.983 176.117 -0.415 0.000 1.102 160 I CA 1.055 62.074 61.300 -0.469 0.000 1.385 160 I CB -0.255 37.417 38.000 -0.547 0.000 1.064 160 I HN 0.174 nan 8.210 nan 0.000 0.414 161 L N 0.569 121.614 121.223 -0.297 0.000 2.043 161 L HA -0.285 4.070 4.340 0.025 0.000 0.212 161 L C 2.837 179.627 176.870 -0.134 0.000 1.075 161 L CA 1.611 56.321 54.840 -0.217 0.000 0.752 161 L CB -0.534 41.430 42.059 -0.158 0.000 0.891 161 L HN 0.283 nan 8.230 nan 0.000 0.432 162 A N -0.457 122.315 122.820 -0.079 0.000 1.883 162 A HA -0.272 4.063 4.320 0.025 0.000 0.217 162 A C 1.907 179.466 177.584 -0.042 0.000 1.186 162 A CA 2.166 54.185 52.037 -0.031 0.000 0.624 162 A CB -0.598 18.409 19.000 0.012 0.000 0.822 162 A HN 0.394 nan 8.150 nan 0.000 0.444 163 D N -0.467 119.888 120.400 -0.075 0.000 2.144 163 D HA -0.094 4.561 4.640 0.025 0.000 0.199 163 D C 1.782 178.051 176.300 -0.052 0.000 0.984 163 D CA 0.838 54.818 54.000 -0.033 0.000 0.834 163 D CB -0.246 40.562 40.800 0.014 0.000 0.955 163 D HN 0.246 nan 8.370 nan 0.000 0.465 164 L N 0.618 121.751 121.223 -0.151 0.000 2.046 164 L HA -0.068 4.287 4.340 0.025 0.000 0.208 164 L C 2.376 179.225 176.870 -0.034 0.000 1.077 164 L CA 1.025 55.798 54.840 -0.113 0.000 0.747 164 L CB -0.765 41.177 42.059 -0.195 0.000 0.896 164 L HN 0.087 nan 8.230 nan 0.000 0.432 165 I N -0.877 119.668 120.570 -0.043 0.000 2.179 165 I HA -0.284 3.901 4.170 0.025 0.000 0.242 165 I C 2.376 178.516 176.117 0.039 0.000 1.088 165 I CA 1.137 62.436 61.300 -0.002 0.000 1.357 165 I CB -0.248 37.743 38.000 -0.016 0.000 1.051 165 I HN 0.338 nan 8.210 nan 0.000 0.409 166 E N 0.855 121.068 120.200 0.022 0.000 2.077 166 E HA -0.218 4.147 4.350 0.025 0.000 0.193 166 E C 2.341 178.964 176.600 0.039 0.000 0.989 166 E CA 1.329 57.746 56.400 0.028 0.000 0.800 166 E CB -0.179 29.535 29.700 0.024 0.000 0.746 166 E HN 0.519 nan 8.360 nan 0.000 0.452 167 A N 0.832 123.681 122.820 0.048 0.000 1.898 167 A HA -0.222 4.113 4.320 0.025 0.000 0.216 167 A C 1.910 179.533 177.584 0.064 0.000 1.181 167 A CA 1.874 53.941 52.037 0.051 0.000 0.620 167 A CB -0.704 18.332 19.000 0.060 0.000 0.819 167 A HN 0.310 nan 8.150 nan 0.000 0.442 168 H N -1.216 117.847 119.070 -0.013 0.000 2.389 168 H HA -0.036 4.535 4.556 0.025 0.000 0.299 168 H C 2.067 177.388 175.328 -0.012 0.000 1.081 168 H CA 2.160 58.200 56.048 -0.014 0.000 1.345 168 H CB -0.009 29.741 29.762 -0.020 0.000 1.393 168 H HN 0.349 nan 8.280 nan 0.000 0.520 169 T N -1.562 113.030 114.554 0.063 0.000 3.035 169 T HA 0.138 4.503 4.350 0.025 0.000 0.259 169 T C 1.277 175.965 174.700 -0.019 0.000 1.078 169 T CA 0.909 63.017 62.100 0.014 0.000 1.132 169 T CB -0.386 68.524 68.868 0.070 0.000 0.900 169 T HN 0.723 nan 8.240 nan 0.000 0.480 170 G N 1.996 110.790 108.800 -0.010 0.000 2.160 170 G HA2 -0.248 3.727 3.960 0.025 0.000 0.251 170 G HA3 -0.248 3.727 3.960 0.025 0.000 0.251 170 G C 0.107 175.004 174.900 -0.005 0.000 1.008 170 G CA 0.193 45.286 45.100 -0.012 0.000 0.724 170 G HN 0.502 nan 8.290 nan 0.000 0.514 171 R N -1.017 119.484 120.500 0.001 0.000 2.888 171 R HA 0.644 4.999 4.340 0.025 0.000 0.266 171 R C -0.289 176.012 176.300 0.003 0.000 1.020 171 R CA -0.629 55.470 56.100 -0.001 0.000 0.963 171 R CB 1.249 31.546 30.300 -0.005 0.000 1.197 171 R HN 0.101 nan 8.270 nan 0.000 0.481 172 T N 1.287 115.841 114.554 0.000 0.000 2.910 172 T HA 0.079 4.444 4.350 0.025 0.000 0.293 172 T C 1.147 175.841 174.700 -0.010 0.000 1.015 172 T CA -0.303 61.799 62.100 0.003 0.000 1.094 172 T CB 0.788 69.660 68.868 0.006 0.000 0.968 172 T HN 0.333 nan 8.240 nan 0.000 0.521 173 L N 5.652 126.870 121.223 -0.007 0.000 2.083 173 L HA -0.033 4.322 4.340 0.025 0.000 0.209 173 L C 2.402 179.242 176.870 -0.050 0.000 1.083 173 L CA 1.635 56.458 54.840 -0.030 0.000 0.752 173 L CB -0.607 41.442 42.059 -0.016 0.000 0.899 173 L HN 0.610 nan 8.230 nan 0.000 0.433 174 V N -0.114 119.788 119.914 -0.020 0.000 2.252 174 V HA -0.370 3.765 4.120 0.025 0.000 0.249 174 V C 2.289 178.361 176.094 -0.037 0.000 1.056 174 V CA 2.215 64.507 62.300 -0.012 0.000 1.022 174 V CB -0.791 31.043 31.823 0.018 0.000 0.641 174 V HN 0.452 nan 8.190 nan 0.000 0.445 175 D N -0.272 120.110 120.400 -0.030 0.000 2.117 175 D HA -0.089 4.565 4.640 0.025 0.000 0.198 175 D C 2.047 178.304 176.300 -0.073 0.000 0.982 175 D CA 1.313 55.291 54.000 -0.037 0.000 0.828 175 D CB -0.238 40.550 40.800 -0.019 0.000 0.967 175 D HN 0.436 nan 8.370 nan 0.000 0.464 176 I N 0.372 120.892 120.570 -0.084 0.000 2.252 176 I HA -0.213 3.972 4.170 0.025 0.000 0.245 176 I C 2.397 178.395 176.117 -0.199 0.000 1.102 176 I CA 0.588 61.825 61.300 -0.105 0.000 1.385 176 I CB -0.190 37.765 38.000 -0.076 0.000 1.064 176 I HN -0.032 nan 8.210 nan 0.000 0.414 177 L N 0.025 121.068 121.223 -0.299 0.000 2.012 177 L HA -0.250 4.105 4.340 0.025 0.000 0.210 177 L C 2.826 179.225 176.870 -0.785 0.000 1.073 177 L CA 1.694 56.148 54.840 -0.644 0.000 0.748 177 L CB -0.575 40.997 42.059 -0.811 0.000 0.891 177 L HN 0.276 nan 8.230 nan 0.000 0.431 178 S N -0.506 114.949 115.700 -0.409 0.000 2.353 178 S HA -0.286 4.199 4.470 0.025 0.000 0.222 178 S C 2.000 176.544 174.600 -0.094 0.000 1.035 178 S CA 1.971 60.101 58.200 -0.118 0.000 1.025 178 S CB -0.208 63.007 63.200 0.025 0.000 0.902 178 S HN 0.496 nan 8.310 nan 0.000 0.440 179 E N -0.306 119.837 120.200 -0.095 0.000 2.046 179 E HA -0.095 4.270 4.350 0.025 0.000 0.190 179 E C 2.086 178.646 176.600 -0.066 0.000 0.982 179 E CA 0.685 57.052 56.400 -0.056 0.000 0.800 179 E CB -0.016 29.660 29.700 -0.040 0.000 0.756 179 E HN 0.323 nan 8.360 nan 0.000 0.449 180 R N -0.216 120.221 120.500 -0.105 0.000 2.254 180 R HA 0.114 4.469 4.340 0.025 0.000 0.195 180 R C 1.819 178.059 176.300 -0.100 0.000 0.957 180 R CA 0.313 56.365 56.100 -0.079 0.000 1.024 180 R CB 0.341 30.602 30.300 -0.066 0.000 0.952 180 R HN 0.323 nan 8.270 nan 0.000 0.484 181 I N -1.220 119.232 120.570 -0.197 0.000 3.518 181 I HA 0.038 4.223 4.170 0.025 0.000 0.260 181 I C 1.713 177.777 176.117 -0.088 0.000 1.148 181 I CA 0.384 61.577 61.300 -0.179 0.000 1.440 181 I CB -1.016 36.831 38.000 -0.254 0.000 1.485 181 I HN -0.146 nan 8.210 nan 0.000 0.456 182 F N 2.272 122.150 119.950 -0.120 0.000 2.146 182 F HA 0.022 4.564 4.527 0.025 0.000 0.298 182 F C 2.747 178.493 175.800 -0.091 0.000 1.096 182 F CA 0.982 58.904 58.000 -0.129 0.000 1.275 182 F CB -1.581 37.331 39.000 -0.147 0.000 1.008 182 F HN 0.017 nan 8.300 nan 0.000 0.480 183 A N 0.718 123.599 122.820 0.101 0.000 1.858 183 A HA -0.114 4.221 4.320 0.025 0.000 0.216 183 A C 0.109 177.712 177.584 0.031 0.000 1.190 183 A CA 1.579 53.649 52.037 0.056 0.000 0.617 183 A CB -2.094 16.928 19.000 0.037 0.000 0.827 183 A HN 0.258 nan 8.150 nan 0.000 0.443 184 P HA -0.026 nan 4.420 nan 0.000 0.218 184 P C 1.363 178.641 177.300 -0.037 0.000 1.149 184 P CA 1.695 64.799 63.100 0.006 0.000 0.817 184 P CB -0.108 31.594 31.700 0.004 0.000 0.785 185 A N -0.780 121.916 122.820 -0.206 0.000 2.206 185 A HA 0.388 4.722 4.320 0.025 0.000 0.211 185 A C 1.645 179.270 177.584 0.068 0.000 1.158 185 A CA 0.852 52.776 52.037 -0.189 0.000 0.761 185 A CB -1.327 17.536 19.000 -0.229 0.000 0.801 185 A HN 0.249 nan 8.150 nan 0.000 0.473 186 G N -1.184 107.653 108.800 0.061 0.000 2.147 186 G HA2 -0.251 3.723 3.960 0.025 0.000 0.244 186 G HA3 -0.251 3.723 3.960 0.025 0.000 0.244 186 G C 0.146 175.072 174.900 0.044 0.000 1.005 186 G CA 0.361 45.499 45.100 0.064 0.000 0.713 186 G HN 0.421 nan 8.290 nan 0.000 0.515 187 M N 0.358 119.977 119.600 0.031 0.000 2.923 187 M HA 0.271 4.766 4.480 0.025 0.000 0.311 187 M C 1.598 177.832 176.300 -0.110 0.000 1.376 187 M CA -0.089 55.173 55.300 -0.063 0.000 1.468 187 M CB 0.392 32.910 32.600 -0.136 0.000 1.151 187 M HN 0.147 nan 8.290 nan 0.000 0.517 188 K N 0.788 121.148 120.400 -0.066 0.000 2.147 188 K HA -0.090 4.245 4.320 0.025 0.000 0.205 188 K C 1.282 177.830 176.600 -0.087 0.000 1.049 188 K CA 1.249 57.505 56.287 -0.052 0.000 0.936 188 K CB 0.193 32.678 32.500 -0.025 0.000 0.722 188 K HN 0.518 nan 8.250 nan 0.000 0.446 189 R N -0.260 120.157 120.500 -0.138 0.000 2.543 189 R HA 0.250 4.605 4.340 0.025 0.000 0.323 189 R C -0.357 175.791 176.300 -0.253 0.000 1.002 189 R CA -0.329 55.686 56.100 -0.142 0.000 1.106 189 R CB 1.196 31.442 30.300 -0.091 0.000 1.280 189 R HN 0.006 nan 8.270 nan 0.000 0.549 190 A N 1.947 124.488 122.820 -0.464 0.000 2.462 190 A HA 0.186 4.520 4.320 0.025 0.000 0.243 190 A C -0.132 177.026 177.584 -0.710 0.000 1.076 190 A CA 0.309 51.859 52.037 -0.810 0.000 0.773 190 A CB 0.417 18.519 19.000 -1.496 0.000 1.010 190 A HN 0.301 nan 8.150 nan 0.000 0.493 191 E N 1.303 121.231 120.200 -0.452 0.000 2.352 191 E HA 0.401 4.766 4.350 0.025 0.000 0.280 191 E C -1.857 174.724 176.600 -0.032 0.000 0.930 191 E CA -0.832 55.511 56.400 -0.096 0.000 0.765 191 E CB 1.315 30.981 29.700 -0.056 0.000 1.219 191 E HN 0.602 nan 8.360 nan 0.000 0.434 192 L N 5.694 126.969 121.223 0.087 0.000 2.325 192 L HA 0.429 4.784 4.340 0.025 0.000 0.284 192 L C -1.168 175.724 176.870 0.037 0.000 1.089 192 L CA 0.291 55.151 54.840 0.033 0.000 0.836 192 L CB 0.256 42.338 42.059 0.038 0.000 1.184 192 L HN 0.515 nan 8.230 nan 0.000 0.444 193 I N 5.165 125.752 120.570 0.028 0.000 2.503 193 I HA 0.159 4.344 4.170 0.025 0.000 0.277 193 I C 1.233 177.427 176.117 0.129 0.000 1.078 193 I CA -0.135 61.208 61.300 0.072 0.000 1.184 193 I CB 1.091 39.138 38.000 0.078 0.000 1.353 193 I HN 0.811 nan 8.210 nan 0.000 0.490 194 S N 2.048 117.841 115.700 0.155 0.000 2.399 194 S HA -0.134 4.350 4.470 0.025 0.000 0.231 194 S C 0.831 175.576 174.600 0.241 0.000 1.022 194 S CA 0.654 59.006 58.200 0.253 0.000 0.983 194 S CB -0.098 63.230 63.200 0.213 0.000 0.803 194 S HN 0.610 nan 8.310 nan 0.000 0.480 195 D N 1.192 121.682 120.400 0.150 0.000 2.411 195 D HA 0.325 4.980 4.640 0.025 0.000 0.225 195 D C 0.671 177.019 176.300 0.081 0.000 1.156 195 D CA 0.009 54.070 54.000 0.103 0.000 0.874 195 D CB 1.074 41.927 40.800 0.088 0.000 1.034 195 D HN 0.049 nan 8.370 nan 0.000 0.502 196 T N 2.337 116.896 114.554 0.008 0.000 2.929 196 T HA -0.080 4.285 4.350 0.025 0.000 0.271 196 T C 1.670 176.403 174.700 0.056 0.000 1.085 196 T CA 1.336 63.430 62.100 -0.010 0.000 1.125 196 T CB 0.078 68.807 68.868 -0.231 0.000 0.874 196 T HN 0.545 nan 8.240 nan 0.000 0.494 197 A N 0.544 123.389 122.820 0.041 0.000 2.067 197 A HA 0.082 4.417 4.320 0.025 0.000 0.219 197 A C 1.867 179.495 177.584 0.073 0.000 1.158 197 A CA 0.876 52.945 52.037 0.053 0.000 0.661 197 A CB -0.338 18.684 19.000 0.036 0.000 0.801 197 A HN 0.382 nan 8.150 nan 0.000 0.452 198 L N -1.993 119.285 121.223 0.091 0.000 2.446 198 L HA 0.270 4.625 4.340 0.025 0.000 0.219 198 L C 0.497 177.430 176.870 0.105 0.000 1.116 198 L CA 0.406 55.296 54.840 0.083 0.000 0.844 198 L CB -1.013 41.096 42.059 0.084 0.000 0.970 198 L HN 0.450 nan 8.230 nan 0.000 0.457 199 F N 1.609 121.564 119.950 0.008 0.000 2.445 199 F HA 0.198 4.740 4.527 0.025 0.000 0.359 199 F C 0.756 176.575 175.800 0.032 0.000 1.101 199 F CA -0.256 57.746 58.000 0.003 0.000 1.177 199 F CB 0.448 39.430 39.000 -0.030 0.000 1.110 199 F HN 0.237 nan 8.300 nan 0.000 0.522 200 D N 2.117 122.142 120.400 -0.625 0.000 2.594 200 D HA 0.008 4.662 4.640 0.025 0.000 0.256 200 D C 0.556 176.548 176.300 -0.512 0.000 1.393 200 D CA -0.017 53.737 54.000 -0.411 0.000 0.797 200 D CB -0.607 40.087 40.800 -0.178 0.000 1.110 200 D HN 0.612 nan 8.370 nan 0.000 0.495 201 E N -0.162 119.469 120.200 -0.948 0.000 2.358 201 E HA 0.096 4.461 4.350 0.025 0.000 0.195 201 E C 0.087 176.580 176.600 -0.179 0.000 1.010 201 E CA 0.337 56.448 56.400 -0.481 0.000 0.856 201 E CB 0.435 29.887 29.700 -0.415 0.000 0.795 201 E HN 0.295 nan 8.360 nan 0.000 0.504 202 C N -0.250 119.005 119.300 -0.076 0.000 2.985 202 C HA 0.424 4.899 4.460 0.025 0.000 0.314 202 C C -0.544 174.693 174.990 0.410 0.000 1.215 202 C CA -0.628 58.563 59.018 0.288 0.000 1.414 202 C CB 1.449 29.510 27.740 0.534 0.000 1.842 202 C HN 0.195 nan 8.230 nan 0.000 0.477 203 T N 2.297 116.986 114.554 0.225 0.000 2.824 203 T HA 0.730 5.095 4.350 0.025 0.000 0.280 203 T C 0.147 174.612 174.700 -0.393 0.000 0.995 203 T CA 0.235 62.329 62.100 -0.010 0.000 1.009 203 T CB 1.143 69.900 68.868 -0.184 0.000 0.955 203 T HN 1.319 nan 8.240 nan 0.000 0.452 204 G N 2.242 110.598 108.800 -0.739 0.000 2.410 204 G HA2 0.616 4.591 3.960 0.025 0.000 0.330 204 G HA3 0.616 4.591 3.960 0.025 0.000 0.330 204 G C -1.747 172.652 174.900 -0.835 0.000 1.142 204 G CA -0.641 43.650 45.100 -1.349 0.000 0.902 204 G HN 0.714 nan 8.290 nan 0.000 0.491 205 Y N 0.103 120.215 120.300 -0.314 0.000 2.391 205 Y HA 0.345 4.909 4.550 0.025 0.000 0.341 205 Y C 0.630 176.579 175.900 0.082 0.000 0.965 205 Y CA -0.680 57.396 58.100 -0.041 0.000 1.067 205 Y CB 2.122 40.609 38.460 0.046 0.000 1.199 205 Y HN 0.506 nan 8.280 nan 0.000 0.450 206 E N 1.428 121.749 120.200 0.202 0.000 2.318 206 E HA 0.625 4.990 4.350 0.025 0.000 0.265 206 E C 0.170 176.895 176.600 0.208 0.000 1.069 206 E CA 0.080 56.584 56.400 0.173 0.000 0.893 206 E CB 1.432 31.182 29.700 0.084 0.000 1.076 206 E HN 0.902 nan 8.360 nan 0.000 0.414 207 G N 1.474 110.337 108.800 0.105 0.000 2.396 207 G HA2 -0.012 3.963 3.960 0.025 0.000 0.254 207 G HA3 -0.012 3.963 3.960 0.025 0.000 0.254 207 G C -1.430 173.326 174.900 -0.240 0.000 1.248 207 G CA -0.267 44.772 45.100 -0.103 0.000 1.033 207 G HN 0.738 nan 8.290 nan 0.000 0.502 208 D N -4.003 115.977 120.400 -0.700 0.000 2.713 208 D HA 0.561 5.216 4.640 0.025 0.000 0.306 208 D C 0.717 176.522 176.300 -0.826 0.000 1.299 208 D CA 0.488 54.122 54.000 -0.610 0.000 0.823 208 D CB 0.631 41.349 40.800 -0.136 0.000 1.353 208 D HN 0.707 nan 8.370 nan 0.000 0.447 209 T N -0.923 113.439 114.554 -0.320 0.000 2.929 209 T HA -0.056 4.309 4.350 0.025 0.000 0.271 209 T C 1.357 175.967 174.700 -0.150 0.000 1.085 209 T CA 1.625 63.636 62.100 -0.149 0.000 1.125 209 T CB -0.246 68.634 68.868 0.020 0.000 0.874 209 T HN 0.307 nan 8.240 nan 0.000 0.494 210 V N 0.638 120.461 119.914 -0.152 0.000 2.492 210 V HA 0.139 4.273 4.120 0.025 0.000 0.241 210 V C 2.499 178.518 176.094 -0.126 0.000 1.041 210 V CA 1.378 63.614 62.300 -0.105 0.000 1.057 210 V CB -0.340 31.442 31.823 -0.070 0.000 0.711 210 V HN 0.279 nan 8.190 nan 0.000 0.468 211 R N 0.904 121.304 120.500 -0.168 0.000 2.153 211 R HA 0.268 4.623 4.340 0.025 0.000 0.218 211 R C 0.831 177.023 176.300 -0.181 0.000 1.072 211 R CA 1.070 57.081 56.100 -0.148 0.000 0.990 211 R CB -0.188 30.025 30.300 -0.144 0.000 0.889 211 R HN 0.560 nan 8.270 nan 0.000 0.452 212 G N -1.639 106.971 108.800 -0.315 0.000 2.619 212 G HA2 -0.103 3.872 3.960 0.025 0.000 0.686 212 G HA3 -0.103 3.872 3.960 0.025 0.000 0.686 212 G C -1.033 173.606 174.900 -0.435 0.000 1.256 212 G CA -0.507 44.422 45.100 -0.286 0.000 0.826 212 G HN 0.084 nan 8.290 nan 0.000 0.619 213 F N -0.159 119.781 119.950 -0.017 0.000 2.443 213 F HA 0.781 5.323 4.527 0.025 0.000 0.335 213 F C 0.822 176.698 175.800 0.128 0.000 1.104 213 F CA -0.708 57.311 58.000 0.033 0.000 1.013 213 F CB 1.898 40.832 39.000 -0.110 0.000 1.136 213 F HN 0.410 nan 8.300 nan 0.000 0.470 214 L N 4.641 126.074 121.223 0.349 0.000 2.386 214 L HA 0.518 4.873 4.340 0.025 0.000 0.271 214 L C -2.536 174.440 176.870 0.177 0.000 0.993 214 L CA -2.346 52.634 54.840 0.234 0.000 0.819 214 L CB 2.280 44.401 42.059 0.104 0.000 1.294 214 L HN 0.324 nan 8.230 nan 0.000 0.414 215 P HA 0.072 nan 4.420 nan 0.000 0.265 215 P C -0.808 176.386 177.300 -0.176 0.000 1.193 215 P CA -0.102 62.811 63.100 -0.311 0.000 0.765 215 P CB 0.716 32.277 31.700 -0.231 0.000 0.823 216 A N 2.800 125.483 122.820 -0.227 0.000 2.310 216 A HA 0.586 4.921 4.320 0.025 0.000 0.299 216 A C 0.265 177.825 177.584 -0.041 0.000 1.147 216 A CA -0.193 51.784 52.037 -0.099 0.000 0.818 216 A CB 0.184 19.123 19.000 -0.102 0.000 1.096 216 A HN 0.533 nan 8.150 nan 0.000 0.495 217 T N 1.294 115.841 114.554 -0.012 0.000 2.792 217 T HA 0.570 4.935 4.350 0.025 0.000 0.280 217 T C -0.798 173.904 174.700 0.004 0.000 0.990 217 T CA -0.848 61.256 62.100 0.007 0.000 0.960 217 T CB 0.443 69.312 68.868 0.003 0.000 0.939 217 T HN 0.561 nan 8.240 nan 0.000 0.439 218 N N 3.115 121.822 118.700 0.013 0.000 2.258 218 N HA 0.437 5.192 4.740 0.025 0.000 0.299 218 N C -0.089 175.389 175.510 -0.052 0.000 1.047 218 N CA -0.713 52.309 53.050 -0.047 0.000 0.814 218 N CB 2.476 40.933 38.487 -0.051 0.000 1.413 218 N HN 0.668 nan 8.380 nan 0.000 0.478 219 R N 0.562 121.014 120.500 -0.079 0.000 2.549 219 R HA 0.293 4.648 4.340 0.025 0.000 0.399 219 R C 0.560 176.836 176.300 -0.039 0.000 0.964 219 R CA -0.173 55.905 56.100 -0.036 0.000 1.173 219 R CB 0.412 30.714 30.300 0.004 0.000 1.535 219 R HN 0.579 nan 8.270 nan 0.000 0.551 220 I N -0.926 119.553 120.570 -0.151 0.000 2.823 220 I HA 0.197 4.382 4.170 0.025 0.000 0.290 220 I C -0.364 175.709 176.117 -0.075 0.000 1.091 220 I CA -0.366 60.884 61.300 -0.083 0.000 1.365 220 I CB 0.630 38.416 38.000 -0.356 0.000 1.427 220 I HN -0.094 nan 8.210 nan 0.000 0.583 221 Q N 4.213 124.134 119.800 0.200 0.000 2.316 221 Q HA 0.506 4.861 4.340 0.025 0.000 0.264 221 Q C -1.596 174.704 176.000 0.500 0.000 0.987 221 Q CA -0.610 55.336 55.803 0.238 0.000 0.852 221 Q CB 2.123 30.995 28.738 0.224 0.000 1.287 221 Q HN 0.723 nan 8.270 nan 0.000 0.448 222 W N 2.188 123.664 121.300 0.295 0.000 3.075 222 W HA 0.761 5.436 4.660 0.024 0.000 0.334 222 W C -1.464 175.187 176.519 0.220 0.000 1.243 222 W CA -1.808 55.754 57.345 0.361 0.000 1.170 222 W CB 0.251 29.980 29.460 0.448 0.000 1.452 222 W HN 0.673 nan 8.180 nan 0.000 0.572 223 M N 1.099 120.914 119.600 0.359 0.000 2.562 223 M HA 0.706 5.201 4.480 0.025 0.000 0.281 223 M C 0.292 176.648 176.300 0.093 0.000 1.195 223 M CA 0.088 55.471 55.300 0.139 0.000 0.888 223 M CB 1.911 34.591 32.600 0.134 0.000 1.731 223 M HN 1.755 nan 8.290 nan 0.000 0.493 224 G N 1.600 110.415 108.800 0.024 0.000 3.329 224 G HA2 -0.333 3.642 3.960 0.025 0.000 0.220 224 G HA3 -0.333 3.642 3.960 0.025 0.000 0.220 224 G C 0.348 175.291 174.900 0.071 0.000 1.358 224 G CA 0.957 46.095 45.100 0.065 0.000 0.856 224 G HN 1.086 nan 8.290 nan 0.000 0.551 225 D N 1.435 121.888 120.400 0.089 0.000 2.289 225 D HA 0.579 5.233 4.640 0.025 0.000 0.207 225 D C 1.197 177.332 176.300 -0.274 0.000 0.966 225 D CA 2.028 56.048 54.000 0.033 0.000 0.868 225 D CB 0.026 41.000 40.800 0.290 0.000 0.943 225 D HN 1.707 nan 8.370 nan 0.000 0.514 226 A N -2.077 120.446 122.820 -0.496 0.000 2.573 226 A HA 0.652 4.987 4.320 0.025 0.000 0.310 226 A C 0.738 177.810 177.584 -0.854 0.000 1.142 226 A CA -0.117 51.341 52.037 -0.964 0.000 0.620 226 A CB 0.562 18.226 19.000 -2.227 0.000 1.382 226 A HN 0.635 nan 8.150 nan 0.000 0.545 227 G N -1.344 106.958 108.800 -0.831 0.000 2.352 227 G HA2 -0.068 3.907 3.960 0.025 0.000 0.204 227 G HA3 -0.068 3.907 3.960 0.025 0.000 0.204 227 G C 0.238 175.031 174.900 -0.178 0.000 1.004 227 G CA -0.013 44.928 45.100 -0.266 0.000 0.648 227 G HN 1.079 nan 8.290 nan 0.000 0.491 228 I N 1.897 122.313 120.570 -0.256 0.000 2.648 228 I HA 0.315 4.499 4.170 0.025 0.000 0.284 228 I C 0.498 176.413 176.117 -0.337 0.000 1.153 228 I CA -0.195 60.945 61.300 -0.266 0.000 1.426 228 I CB 0.742 38.535 38.000 -0.345 0.000 1.381 228 I HN 0.208 nan 8.210 nan 0.000 0.571 229 C N 5.902 124.997 119.300 -0.342 0.000 2.379 229 C HA 0.912 5.387 4.460 0.025 0.000 0.323 229 C C 0.258 175.040 174.990 -0.346 0.000 1.262 229 C CA -0.354 58.423 59.018 -0.402 0.000 1.581 229 C CB 0.538 28.017 27.740 -0.436 0.000 2.221 229 C HN 0.907 nan 8.230 nan 0.000 0.497 230 A N 2.247 124.879 122.820 -0.313 0.000 2.612 230 A HA 0.894 5.229 4.320 0.025 0.000 0.293 230 A C -0.355 177.130 177.584 -0.165 0.000 1.075 230 A CA -0.282 51.589 52.037 -0.277 0.000 0.680 230 A CB 1.062 19.845 19.000 -0.363 0.000 1.279 230 A HN 1.112 nan 8.150 nan 0.000 0.411 231 S N -0.020 115.609 115.700 -0.119 0.000 2.730 231 S HA 0.502 4.987 4.470 0.025 0.000 0.284 231 S C 1.040 175.615 174.600 -0.041 0.000 1.153 231 S CA 0.040 58.206 58.200 -0.055 0.000 0.995 231 S CB 0.763 63.942 63.200 -0.035 0.000 1.058 231 S HN 1.641 nan 8.310 nan 0.000 0.552 232 L N 1.259 122.477 121.223 -0.008 0.000 2.043 232 L HA -0.119 4.235 4.340 0.025 0.000 0.212 232 L C 2.028 178.913 176.870 0.024 0.000 1.075 232 L CA 1.984 56.835 54.840 0.018 0.000 0.752 232 L CB -1.141 40.940 42.059 0.036 0.000 0.891 232 L HN 0.720 nan 8.230 nan 0.000 0.432 233 N N -0.096 118.612 118.700 0.013 0.000 2.166 233 N HA -0.177 4.578 4.740 0.025 0.000 0.186 233 N C 1.498 177.015 175.510 0.010 0.000 1.019 233 N CA 1.482 54.543 53.050 0.019 0.000 0.856 233 N CB -0.442 38.052 38.487 0.012 0.000 0.993 233 N HN 0.469 nan 8.380 nan 0.000 0.426 234 D N 0.455 120.837 120.400 -0.029 0.000 2.097 234 D HA -0.096 4.559 4.640 0.025 0.000 0.195 234 D C 1.906 178.209 176.300 0.006 0.000 0.989 234 D CA 0.823 54.786 54.000 -0.062 0.000 0.827 234 D CB -0.021 40.672 40.800 -0.178 0.000 0.966 234 D HN 0.183 nan 8.370 nan 0.000 0.456 235 M N 0.259 119.872 119.600 0.020 0.000 2.229 235 M HA -0.035 4.460 4.480 0.025 0.000 0.264 235 M C 2.445 178.848 176.300 0.172 0.000 1.063 235 M CA 0.604 55.971 55.300 0.113 0.000 1.114 235 M CB -0.768 31.876 32.600 0.074 0.000 1.387 235 M HN 0.049 nan 8.290 nan 0.000 0.420 236 I N 0.352 120.990 120.570 0.112 0.000 2.208 236 I HA -0.275 3.910 4.170 0.025 0.000 0.245 236 I C 2.559 178.746 176.117 0.116 0.000 1.097 236 I CA 1.278 62.639 61.300 0.101 0.000 1.363 236 I CB -0.514 37.531 38.000 0.075 0.000 1.051 236 I HN 0.220 nan 8.210 nan 0.000 0.413 237 A N 0.362 123.257 122.820 0.125 0.000 1.933 237 A HA -0.272 4.063 4.320 0.025 0.000 0.218 237 A C 2.271 180.005 177.584 0.250 0.000 1.175 237 A CA 1.367 53.492 52.037 0.148 0.000 0.628 237 A CB -1.121 17.949 19.000 0.116 0.000 0.814 237 A HN 0.752 nan 8.150 nan 0.000 0.444 238 W N 0.918 122.261 121.300 0.071 0.000 2.358 238 W HA -0.158 4.516 4.660 0.024 0.000 0.303 238 W C 1.655 178.202 176.519 0.048 0.000 1.208 238 W CA 1.620 59.032 57.345 0.113 0.000 1.274 238 W CB 0.001 29.568 29.460 0.178 0.000 1.138 238 W HN 0.384 nan 8.180 nan 0.000 0.515 239 E N 0.543 120.751 120.200 0.012 0.000 2.110 239 E HA -0.245 4.120 4.350 0.025 0.000 0.193 239 E C 1.983 178.467 176.600 -0.192 0.000 0.988 239 E CA 1.517 57.796 56.400 -0.203 0.000 0.804 239 E CB -0.781 28.888 29.700 -0.052 0.000 0.745 239 E HN 0.591 nan 8.360 nan 0.000 0.458 240 Q N -0.444 119.328 119.800 -0.046 0.000 2.119 240 Q HA -0.096 4.259 4.340 0.025 0.000 0.201 240 Q C 2.059 178.029 176.000 -0.049 0.000 0.972 240 Q CA 0.918 56.699 55.803 -0.037 0.000 0.847 240 Q CB -0.251 28.504 28.738 0.029 0.000 0.903 240 Q HN 0.251 nan 8.270 nan 0.000 0.433 241 F N 1.241 121.096 119.950 -0.159 0.000 2.134 241 F HA -0.203 4.339 4.527 0.025 0.000 0.299 241 F C 1.873 177.475 175.800 -0.330 0.000 1.097 241 F CA 1.139 59.035 58.000 -0.172 0.000 1.264 241 F CB -0.003 38.951 39.000 -0.076 0.000 1.001 241 F HN -0.050 nan 8.300 nan 0.000 0.479 242 I N 0.408 120.645 120.570 -0.554 0.000 2.163 242 I HA -0.324 3.860 4.170 0.025 0.000 0.243 242 I C 2.107 177.891 176.117 -0.554 0.000 1.085 242 I CA 2.086 62.901 61.300 -0.808 0.000 1.347 242 I CB -0.589 36.663 38.000 -1.246 0.000 1.044 242 I HN 0.188 nan 8.210 nan 0.000 0.408 243 D N 0.710 120.875 120.400 -0.392 0.000 2.144 243 D HA -0.136 4.519 4.640 0.025 0.000 0.200 243 D C 2.136 178.310 176.300 -0.210 0.000 0.978 243 D CA 1.304 55.172 54.000 -0.220 0.000 0.833 243 D CB 0.086 40.807 40.800 -0.132 0.000 0.961 243 D HN 0.294 nan 8.370 nan 0.000 0.470 244 A N -0.518 122.157 122.820 -0.242 0.000 2.015 244 A HA -0.076 4.259 4.320 0.025 0.000 0.219 244 A C 2.085 179.505 177.584 -0.272 0.000 1.163 244 A CA 1.968 53.877 52.037 -0.212 0.000 0.646 244 A CB -0.736 18.158 19.000 -0.177 0.000 0.806 244 A HN 0.412 nan 8.150 nan 0.000 0.448 245 T N -2.388 111.916 114.554 -0.416 0.000 3.186 245 T HA 0.149 4.514 4.350 0.025 0.000 0.257 245 T C 1.412 175.964 174.700 -0.246 0.000 1.029 245 T CA 0.246 62.119 62.100 -0.379 0.000 0.916 245 T CB -0.216 68.285 68.868 -0.612 0.000 1.041 245 T HN 0.686 nan 8.240 nan 0.000 0.562 246 R N 1.310 121.693 120.500 -0.193 0.000 2.127 246 R HA -0.064 4.291 4.340 0.025 0.000 0.238 246 R C 0.790 177.048 176.300 -0.069 0.000 1.134 246 R CA 1.627 57.663 56.100 -0.106 0.000 0.975 246 R CB -0.585 29.675 30.300 -0.067 0.000 0.865 246 R HN 0.220 nan 8.270 nan 0.000 0.447 247 D N 0.793 121.147 120.400 -0.077 0.000 2.339 247 D HA -0.008 4.647 4.640 0.025 0.000 0.217 247 D C -0.531 175.736 176.300 -0.055 0.000 1.050 247 D CA 0.432 54.398 54.000 -0.056 0.000 0.856 247 D CB -0.023 40.746 40.800 -0.051 0.000 0.922 247 D HN 0.215 nan 8.370 nan 0.000 0.518 248 D N 0.496 120.854 120.400 -0.070 0.000 2.380 248 D HA 0.179 4.834 4.640 0.025 0.000 0.230 248 D C 1.299 177.569 176.300 -0.051 0.000 1.154 248 D CA -0.003 53.961 54.000 -0.061 0.000 0.859 248 D CB 0.803 41.558 40.800 -0.075 0.000 1.045 248 D HN 0.113 nan 8.370 nan 0.000 0.495 249 E N 2.563 122.739 120.200 -0.039 0.000 2.160 249 E HA -0.173 4.192 4.350 0.025 0.000 0.195 249 E C 1.824 178.399 176.600 -0.041 0.000 0.991 249 E CA 1.793 58.172 56.400 -0.036 0.000 0.810 249 E CB -0.890 28.793 29.700 -0.029 0.000 0.742 249 E HN 0.610 nan 8.360 nan 0.000 0.466 250 S N 0.261 115.938 115.700 -0.038 0.000 2.634 250 S HA 0.514 4.999 4.470 0.025 0.000 0.221 250 S C 1.299 175.877 174.600 -0.037 0.000 0.952 250 S CA 0.372 58.548 58.200 -0.038 0.000 0.930 250 S CB -0.234 62.949 63.200 -0.028 0.000 0.780 250 S HN 0.678 nan 8.310 nan 0.000 0.498 251 G N 0.195 108.969 108.800 -0.043 0.000 2.527 251 G HA2 0.446 4.420 3.960 0.025 0.000 0.248 251 G HA3 0.446 4.420 3.960 0.025 0.000 0.248 251 G C 0.898 175.787 174.900 -0.018 0.000 1.231 251 G CA -0.564 44.513 45.100 -0.039 0.000 0.838 251 G HN 0.299 nan 8.290 nan 0.000 0.570 252 L N 0.637 121.886 121.223 0.043 0.000 2.012 252 L HA -0.194 4.161 4.340 0.025 0.000 0.210 252 L C 2.437 179.333 176.870 0.042 0.000 1.073 252 L CA 1.498 56.378 54.840 0.067 0.000 0.748 252 L CB -0.424 41.756 42.059 0.203 0.000 0.891 252 L HN 0.690 nan 8.230 nan 0.000 0.431 253 Y N 0.346 120.610 120.300 -0.061 0.000 2.242 253 Y HA -0.156 4.409 4.550 0.024 0.000 0.291 253 Y C 2.830 178.667 175.900 -0.105 0.000 1.137 253 Y CA 1.269 59.300 58.100 -0.114 0.000 1.181 253 Y CB -0.049 38.252 38.460 -0.264 0.000 0.989 253 Y HN -0.023 nan 8.280 nan 0.000 0.527 254 R N 0.164 120.660 120.500 -0.007 0.000 2.096 254 R HA -0.142 4.213 4.340 0.025 0.000 0.235 254 R C 2.227 178.451 176.300 -0.127 0.000 1.127 254 R CA 1.486 57.553 56.100 -0.054 0.000 0.968 254 R CB -0.401 29.880 30.300 -0.031 0.000 0.861 254 R HN 0.404 nan 8.270 nan 0.000 0.440 255 R N 0.214 120.621 120.500 -0.154 0.000 2.148 255 R HA 0.013 4.368 4.340 0.025 0.000 0.227 255 R C 2.281 178.367 176.300 -0.356 0.000 1.103 255 R CA 0.791 56.758 56.100 -0.222 0.000 0.983 255 R CB -0.120 30.047 30.300 -0.221 0.000 0.874 255 R HN 0.176 nan 8.270 nan 0.000 0.451 256 L N -0.010 120.996 121.223 -0.362 0.000 2.240 256 L HA -0.023 4.332 4.340 0.025 0.000 0.211 256 L C 1.738 178.485 176.870 -0.205 0.000 1.106 256 L CA 0.924 55.553 54.840 -0.352 0.000 0.793 256 L CB -0.041 41.810 42.059 -0.347 0.000 0.927 256 L HN 0.175 nan 8.230 nan 0.000 0.446 257 S N -1.059 114.469 115.700 -0.287 0.000 2.575 257 S HA 0.244 4.729 4.470 0.025 0.000 0.237 257 S C 0.806 175.367 174.600 -0.066 0.000 0.975 257 S CA -0.261 57.812 58.200 -0.213 0.000 0.960 257 S CB 0.027 63.000 63.200 -0.378 0.000 0.822 257 S HN 0.194 nan 8.310 nan 0.000 0.472 258 G N 2.542 111.323 108.800 -0.033 0.000 2.588 258 G HA2 0.548 4.523 3.960 0.025 0.000 0.281 258 G HA3 0.548 4.523 3.960 0.025 0.000 0.281 258 G C -2.609 172.304 174.900 0.021 0.000 1.236 258 G CA -1.617 43.482 45.100 -0.001 0.000 0.969 258 G HN 0.318 nan 8.290 nan 0.000 0.504 259 P HA 0.234 nan 4.420 nan 0.000 0.274 259 P C -0.976 176.326 177.300 0.004 0.000 1.231 259 P CA -0.063 63.039 63.100 0.004 0.000 0.790 259 P CB 1.251 32.949 31.700 -0.005 0.000 0.951 260 Q N 0.069 119.850 119.800 -0.030 0.000 2.495 260 Q HA 0.613 4.968 4.340 0.025 0.000 0.287 260 Q C -0.564 175.352 176.000 -0.141 0.000 1.078 260 Q CA -0.452 55.314 55.803 -0.062 0.000 0.793 260 Q CB 2.374 31.073 28.738 -0.064 0.000 1.459 260 Q HN 0.366 nan 8.270 nan 0.000 0.422 261 T N 0.153 114.609 114.554 -0.163 0.000 2.883 261 T HA 0.667 5.032 4.350 0.025 0.000 0.296 261 T C -0.636 173.907 174.700 -0.263 0.000 1.117 261 T CA -0.409 61.562 62.100 -0.215 0.000 1.006 261 T CB 0.730 69.559 68.868 -0.065 0.000 1.191 261 T HN 0.299 nan 8.240 nan 0.000 0.508 262 F N 1.073 121.034 119.950 0.019 0.000 2.373 262 F HA 0.385 4.927 4.527 0.024 0.000 0.302 262 F C 2.025 177.826 175.800 0.000 0.000 1.247 262 F CA -0.412 57.591 58.000 0.004 0.000 1.169 262 F CB 0.548 39.526 39.000 -0.037 0.000 1.309 262 F HN 0.496 nan 8.300 nan 0.000 0.537 263 K N 0.121 120.653 120.400 0.219 0.000 2.283 263 K HA -0.163 4.172 4.320 0.025 0.000 0.202 263 K C 0.994 177.644 176.600 0.084 0.000 1.048 263 K CA 1.389 57.745 56.287 0.114 0.000 0.948 263 K CB -0.190 32.367 32.500 0.094 0.000 0.742 263 K HN 0.636 nan 8.250 nan 0.000 0.458 264 D N -1.566 118.889 120.400 0.091 0.000 2.328 264 D HA 0.041 4.696 4.640 0.025 0.000 0.226 264 D C 0.973 177.314 176.300 0.067 0.000 1.066 264 D CA 0.683 54.719 54.000 0.059 0.000 0.861 264 D CB 0.271 41.086 40.800 0.026 0.000 0.912 264 D HN 0.248 nan 8.370 nan 0.000 0.521 265 G N -0.506 108.344 108.800 0.083 0.000 2.176 265 G HA2 -0.274 3.701 3.960 0.025 0.000 0.253 265 G HA3 -0.274 3.701 3.960 0.025 0.000 0.253 265 G C 0.237 175.179 174.900 0.069 0.000 0.979 265 G CA 0.200 45.335 45.100 0.059 0.000 0.641 265 G HN 0.395 nan 8.290 nan 0.000 0.530 266 V N 1.649 121.642 119.914 0.132 0.000 2.715 266 V HA 0.546 4.681 4.120 0.025 0.000 0.299 266 V C 1.315 177.476 176.094 0.112 0.000 1.054 266 V CA 0.043 62.438 62.300 0.158 0.000 1.077 266 V CB 1.277 33.238 31.823 0.231 0.000 0.972 266 V HN 1.209 nan 8.190 nan 0.000 0.484 267 A N 4.341 127.190 122.820 0.048 0.000 2.520 267 A HA 0.592 4.927 4.320 0.025 0.000 0.245 267 A C 0.468 177.958 177.584 -0.156 0.000 1.072 267 A CA 0.439 52.446 52.037 -0.051 0.000 0.761 267 A CB 0.008 19.001 19.000 -0.012 0.000 1.004 267 A HN 1.335 nan 8.150 nan 0.000 0.499 268 A N 3.452 126.037 122.820 -0.392 0.000 2.299 268 A HA 0.841 5.176 4.320 0.025 0.000 0.332 268 A C -1.915 175.542 177.584 -0.212 0.000 1.131 268 A CA -1.500 50.150 52.037 -0.644 0.000 0.844 268 A CB 0.950 19.298 19.000 -1.087 0.000 1.251 268 A HN 0.636 nan 8.150 nan 0.000 0.486 269 P HA 0.220 nan 4.420 nan 0.000 0.272 269 P C -1.007 176.332 177.300 0.065 0.000 1.408 269 P CA 0.453 63.533 63.100 -0.033 0.000 0.996 269 P CB -0.027 31.614 31.700 -0.098 0.000 1.481 270 Y N -0.076 120.188 120.300 -0.060 0.000 2.552 270 Y HA 0.583 5.148 4.550 0.024 0.000 0.337 270 Y C -0.974 174.976 175.900 0.083 0.000 1.094 270 Y CA -0.366 57.780 58.100 0.077 0.000 1.028 270 Y CB 2.124 40.718 38.460 0.224 0.000 1.321 270 Y HN -0.023 nan 8.280 nan 0.000 0.456 271 G N 2.900 111.667 108.800 -0.054 0.000 2.760 271 G HA2 0.451 4.426 3.960 0.025 0.000 0.296 271 G HA3 0.451 4.426 3.960 0.025 0.000 0.296 271 G C -1.412 173.517 174.900 0.047 0.000 1.427 271 G CA -0.810 44.313 45.100 0.038 0.000 1.109 271 G HN 0.720 nan 8.290 nan 0.000 0.553 272 F N 0.668 120.675 119.950 0.096 0.000 2.861 272 F HA -0.202 4.340 4.527 0.025 0.000 0.230 272 F C 1.873 177.704 175.800 0.052 0.000 1.020 272 F CA 1.837 59.893 58.000 0.093 0.000 0.852 272 F CB -0.714 38.283 39.000 -0.005 0.000 0.724 272 F HN 1.824 nan 8.300 nan 0.000 0.843 273 G N -0.109 108.830 108.800 0.233 0.000 2.148 273 G HA2 -0.288 3.687 3.960 0.025 0.000 0.254 273 G HA3 -0.288 3.687 3.960 0.025 0.000 0.254 273 G C -0.154 174.607 174.900 -0.232 0.000 0.981 273 G CA 0.113 45.215 45.100 0.004 0.000 0.670 273 G HN 0.564 nan 8.290 nan 0.000 0.528 274 L N 0.189 121.119 121.223 -0.488 0.000 2.386 274 L HA 0.463 4.818 4.340 0.025 0.000 0.271 274 L C -0.161 176.393 176.870 -0.527 0.000 0.993 274 L CA -1.210 53.449 54.840 -0.301 0.000 0.819 274 L CB 1.652 43.630 42.059 -0.135 0.000 1.294 274 L HN -0.010 nan 8.230 nan 0.000 0.414 275 N N 2.538 121.129 118.700 -0.181 0.000 2.530 275 N HA 0.334 5.089 4.740 0.025 0.000 0.273 275 N C -1.051 174.548 175.510 0.149 0.000 1.173 275 N CA -0.422 52.631 53.050 0.004 0.000 0.967 275 N CB 1.715 40.221 38.487 0.032 0.000 1.109 275 N HN 0.175 nan 8.380 nan 0.000 0.453 276 L N 2.688 124.012 121.223 0.168 0.000 2.319 276 L HA 0.346 4.701 4.340 0.025 0.000 0.281 276 L C 0.005 177.030 176.870 0.258 0.000 1.005 276 L CA -0.236 54.716 54.840 0.186 0.000 0.828 276 L CB 0.413 42.523 42.059 0.085 0.000 1.227 276 L HN 0.611 nan 8.230 nan 0.000 0.415 277 H N 1.446 120.590 119.070 0.123 0.000 2.959 277 H HA 0.790 5.361 4.556 0.024 0.000 0.296 277 H C -1.205 174.101 175.328 -0.036 0.000 1.421 277 H CA -0.669 55.395 56.048 0.027 0.000 1.206 277 H CB 1.952 31.709 29.762 -0.008 0.000 1.891 277 H HN 0.622 nan 8.280 nan 0.000 0.573 278 E N 0.000 119.835 120.200 -0.610 0.000 2.392 278 E HA 0.485 4.850 4.350 0.025 0.000 0.279 278 E C -1.581 174.777 176.600 -0.403 0.000 0.964 278 E CA -1.004 55.171 56.400 -0.374 0.000 0.777 278 E CB 2.496 32.048 29.700 -0.246 0.000 1.249 278 E HN 0.459 nan 8.360 nan 0.000 0.449 279 T N 1.298 115.723 114.554 -0.215 0.000 3.071 279 T HA 0.513 4.878 4.350 0.025 0.000 0.311 279 T C 0.449 175.065 174.700 -0.140 0.000 1.042 279 T CA 0.298 62.312 62.100 -0.142 0.000 1.028 279 T CB 0.908 69.680 68.868 -0.160 0.000 1.068 279 T HN 1.381 nan 8.240 nan 0.000 0.451 280 G N 2.611 111.347 108.800 -0.107 0.000 2.321 280 G HA2 0.009 3.984 3.960 0.025 0.000 0.287 280 G HA3 0.009 3.984 3.960 0.025 0.000 0.287 280 G C 1.273 176.121 174.900 -0.087 0.000 1.018 280 G CA 1.096 46.141 45.100 -0.092 0.000 0.855 280 G HN 2.217 nan 8.290 nan 0.000 0.507 281 G N -1.796 106.949 108.800 -0.091 0.000 2.179 281 G HA2 -0.265 3.710 3.960 0.025 0.000 0.260 281 G HA3 -0.265 3.710 3.960 0.025 0.000 0.260 281 G C 0.333 175.183 174.900 -0.084 0.000 0.977 281 G CA 0.978 46.030 45.100 -0.080 0.000 0.641 281 G HN 0.952 nan 8.290 nan 0.000 0.533 282 K N 0.385 120.724 120.400 -0.103 0.000 2.235 282 K HA 0.423 4.758 4.320 0.025 0.000 0.266 282 K C 0.328 176.862 176.600 -0.110 0.000 0.980 282 K CA -0.881 55.345 56.287 -0.101 0.000 0.849 282 K CB 1.966 34.398 32.500 -0.112 0.000 1.098 282 K HN 0.331 nan 8.250 nan 0.000 0.445 283 R N 3.491 123.941 120.500 -0.083 0.000 2.389 283 R HA 0.272 4.627 4.340 0.025 0.000 0.295 283 R C -0.546 175.732 176.300 -0.038 0.000 1.075 283 R CA -0.080 55.985 56.100 -0.058 0.000 1.005 283 R CB 0.396 30.679 30.300 -0.028 0.000 0.987 283 R HN 0.495 nan 8.270 nan 0.000 0.452 284 L N 3.012 124.239 121.223 0.006 0.000 2.341 284 L HA 0.550 4.904 4.340 0.025 0.000 0.267 284 L C -0.250 176.810 176.870 0.317 0.000 1.009 284 L CA -0.989 53.913 54.840 0.104 0.000 0.819 284 L CB 2.351 44.360 42.059 -0.083 0.000 1.323 284 L HN 0.786 nan 8.230 nan 0.000 0.425 285 T N -1.342 113.494 114.554 0.470 0.000 2.900 285 T HA 0.916 5.281 4.350 0.025 0.000 0.295 285 T C -0.297 174.733 174.700 0.551 0.000 1.044 285 T CA -0.480 61.904 62.100 0.473 0.000 0.995 285 T CB 2.446 71.500 68.868 0.310 0.000 1.072 285 T HN 0.982 nan 8.240 nan 0.000 0.473 286 G N 0.481 109.432 108.800 0.251 0.000 2.325 286 G HA2 0.547 4.522 3.960 0.025 0.000 0.295 286 G HA3 0.547 4.522 3.960 0.025 0.000 0.295 286 G C -2.028 172.710 174.900 -0.271 0.000 1.274 286 G CA -0.742 44.306 45.100 -0.086 0.000 0.857 286 G HN 1.147 nan 8.290 nan 0.000 0.499 287 H N -2.228 116.546 119.070 -0.492 0.000 3.024 287 H HA 0.569 5.141 4.556 0.026 0.000 0.324 287 H C 0.048 175.171 175.328 -0.340 0.000 1.347 287 H CA 0.267 56.106 56.048 -0.348 0.000 1.182 287 H CB 1.784 31.463 29.762 -0.138 0.000 1.889 287 H HN 1.083 nan 8.280 nan 0.000 0.528 288 G N -0.029 108.662 108.800 -0.182 0.000 2.597 288 G HA2 0.618 4.593 3.960 0.025 0.000 0.317 288 G HA3 0.618 4.593 3.960 0.025 0.000 0.317 288 G C -0.839 174.110 174.900 0.082 0.000 1.230 288 G CA -0.459 44.577 45.100 -0.108 0.000 0.996 288 G HN 0.734 nan 8.290 nan 0.000 0.490 289 G N -1.778 107.025 108.800 0.005 0.000 2.706 289 G HA2 0.807 4.782 3.960 0.025 0.000 0.297 289 G HA3 0.807 4.782 3.960 0.025 0.000 0.297 289 G C -1.176 173.743 174.900 0.032 0.000 1.403 289 G CA 0.203 45.321 45.100 0.030 0.000 0.954 289 G HN 1.490 nan 8.290 nan 0.000 0.500 290 A N 0.114 122.978 122.820 0.073 0.000 2.572 290 A HA 0.930 5.264 4.320 0.025 0.000 0.295 290 A C -1.741 175.950 177.584 0.178 0.000 1.072 290 A CA -0.612 51.492 52.037 0.112 0.000 0.691 290 A CB 2.208 21.247 19.000 0.066 0.000 1.291 290 A HN 1.940 nan 8.150 nan 0.000 0.404 291 L N 0.045 121.403 121.223 0.225 0.000 2.622 291 L HA 0.579 4.934 4.340 0.025 0.000 0.258 291 L C -0.552 176.442 176.870 0.207 0.000 0.996 291 L CA -0.383 54.586 54.840 0.214 0.000 0.858 291 L CB 1.795 44.028 42.059 0.291 0.000 1.449 291 L HN 0.810 nan 8.230 nan 0.000 0.411 292 R N 1.769 122.332 120.500 0.106 0.000 2.502 292 R HA 0.391 4.746 4.340 0.025 0.000 0.292 292 R C 0.848 177.183 176.300 0.058 0.000 0.998 292 R CA 1.320 57.462 56.100 0.071 0.000 1.056 292 R CB -0.106 30.206 30.300 0.020 0.000 0.939 292 R HN 1.011 nan 8.270 nan 0.000 0.411 293 G N 2.254 111.034 108.800 -0.033 0.000 2.195 293 G HA2 -0.245 3.730 3.960 0.025 0.000 0.246 293 G HA3 -0.245 3.730 3.960 0.025 0.000 0.246 293 G C -0.705 173.879 174.900 -0.528 0.000 0.984 293 G CA -0.203 44.709 45.100 -0.314 0.000 0.633 293 G HN 0.639 nan 8.290 nan 0.000 0.525 294 W N -0.328 121.028 121.300 0.093 0.000 3.138 294 W HA 0.852 5.527 4.660 0.025 0.000 0.331 294 W C -0.037 176.491 176.519 0.014 0.000 1.166 294 W CA -1.077 56.304 57.345 0.061 0.000 1.212 294 W CB 1.450 30.932 29.460 0.037 0.000 1.399 294 W HN 0.052 nan 8.180 nan 0.000 0.514 295 R N 1.910 122.535 120.500 0.208 0.000 2.626 295 R HA 0.705 5.060 4.340 0.025 0.000 0.274 295 R C -0.950 175.311 176.300 -0.065 0.000 1.031 295 R CA -0.641 55.480 56.100 0.035 0.000 0.898 295 R CB 1.136 31.396 30.300 -0.067 0.000 1.222 295 R HN 0.781 nan 8.270 nan 0.000 0.455 296 C N 0.000 119.244 119.300 -0.093 0.000 3.318 296 C HA 0.847 5.322 4.460 0.025 0.000 0.322 296 C C -1.229 173.676 174.990 -0.142 0.000 1.398 296 C CA -0.769 58.166 59.018 -0.138 0.000 1.339 296 C CB 2.065 29.762 27.740 -0.072 0.000 1.668 296 C HN 0.849 nan 8.230 nan 0.000 0.462 297 Q N 0.524 120.240 119.800 -0.139 0.000 2.479 297 Q HA 0.694 5.048 4.340 0.025 0.000 0.276 297 Q C -1.378 174.550 176.000 -0.119 0.000 0.989 297 Q CA -0.219 55.483 55.803 -0.169 0.000 0.864 297 Q CB 1.522 30.147 28.738 -0.188 0.000 1.444 297 Q HN 1.035 nan 8.270 nan 0.000 0.388 298 R N 0.939 121.333 120.500 -0.176 0.000 2.744 298 R HA 0.845 5.200 4.340 0.025 0.000 0.279 298 R C -1.319 174.900 176.300 -0.136 0.000 0.977 298 R CA -0.701 55.374 56.100 -0.041 0.000 0.906 298 R CB 1.806 32.158 30.300 0.088 0.000 1.197 298 R HN 0.542 nan 8.270 nan 0.000 0.463 299 W N 0.379 121.769 121.300 0.151 0.000 3.032 299 W HA 0.349 5.023 4.660 0.024 0.000 0.335 299 W C -0.835 175.793 176.519 0.183 0.000 1.154 299 W CA -0.784 56.663 57.345 0.170 0.000 1.204 299 W CB 2.377 31.936 29.460 0.166 0.000 1.416 299 W HN 0.705 nan 8.180 nan 0.000 0.521 300 H N 1.129 120.440 119.070 0.401 0.000 2.771 300 H HA 0.492 5.063 4.556 0.025 0.000 0.361 300 H C -1.379 174.044 175.328 0.159 0.000 1.108 300 H CA -0.919 55.238 56.048 0.182 0.000 1.201 300 H CB 1.644 31.450 29.762 0.073 0.000 1.681 300 H HN 0.534 nan 8.280 nan 0.000 0.534 301 C N 5.604 124.644 119.300 -0.434 0.000 2.264 301 C HA 0.726 5.201 4.460 0.025 0.000 0.322 301 C C 1.569 176.177 174.990 -0.636 0.000 1.210 301 C CA 0.257 59.046 59.018 -0.383 0.000 1.539 301 C CB -1.536 26.076 27.740 -0.214 0.000 2.167 301 C HN 0.982 nan 8.230 nan 0.000 0.463 302 A N 3.520 126.030 122.820 -0.516 0.000 1.933 302 A HA -0.093 4.242 4.320 0.025 0.000 0.218 302 A C 1.819 179.306 177.584 -0.162 0.000 1.175 302 A CA 2.034 53.892 52.037 -0.297 0.000 0.628 302 A CB -0.342 18.646 19.000 -0.020 0.000 0.814 302 A HN 0.844 nan 8.150 nan 0.000 0.444 303 D N -0.114 120.206 120.400 -0.133 0.000 2.178 303 D HA -0.083 4.572 4.640 0.025 0.000 0.201 303 D C 1.293 177.536 176.300 -0.095 0.000 0.980 303 D CA 1.059 55.005 54.000 -0.091 0.000 0.842 303 D CB -0.061 40.693 40.800 -0.077 0.000 0.948 303 D HN 0.451 nan 8.370 nan 0.000 0.472 304 E N -0.061 120.062 120.200 -0.128 0.000 2.501 304 E HA 0.134 4.499 4.350 0.025 0.000 0.201 304 E C -0.135 176.382 176.600 -0.139 0.000 1.016 304 E CA -0.257 56.073 56.400 -0.116 0.000 0.920 304 E CB 0.464 30.100 29.700 -0.108 0.000 1.023 304 E HN 0.231 nan 8.360 nan 0.000 0.474 305 R N 0.533 120.947 120.500 -0.145 0.000 3.188 305 R HA -0.167 4.188 4.340 0.025 0.000 0.247 305 R C -0.417 175.817 176.300 -0.109 0.000 0.918 305 R CA 0.365 56.410 56.100 -0.091 0.000 0.629 305 R CB -1.830 28.430 30.300 -0.067 0.000 1.087 305 R HN 0.142 nan 8.270 nan 0.000 0.462 306 L N 0.458 121.596 121.223 -0.142 0.000 2.410 306 L HA 0.515 4.870 4.340 0.025 0.000 0.270 306 L C -0.415 176.465 176.870 0.015 0.000 0.983 306 L CA -0.587 54.189 54.840 -0.106 0.000 0.822 306 L CB 2.449 44.420 42.059 -0.148 0.000 1.285 306 L HN 0.165 nan 8.230 nan 0.000 0.409 307 S N 1.036 116.777 115.700 0.068 0.000 2.568 307 S HA 0.711 5.196 4.470 0.025 0.000 0.293 307 S C -0.851 173.821 174.600 0.120 0.000 1.089 307 S CA -0.475 57.813 58.200 0.146 0.000 0.945 307 S CB 2.336 65.612 63.200 0.128 0.000 1.077 307 S HN 0.568 nan 8.310 nan 0.000 0.485 308 T N 1.901 116.561 114.554 0.178 0.000 2.912 308 T HA 0.695 5.059 4.350 0.025 0.000 0.299 308 T C -1.301 173.506 174.700 0.179 0.000 1.052 308 T CA -0.371 61.832 62.100 0.172 0.000 0.996 308 T CB 0.635 69.612 68.868 0.181 0.000 1.070 308 T HN 0.472 nan 8.240 nan 0.000 0.465 309 I N 2.114 122.774 120.570 0.149 0.000 2.619 309 I HA 0.762 4.947 4.170 0.025 0.000 0.292 309 I C -0.627 175.554 176.117 0.107 0.000 1.100 309 I CA -1.033 60.336 61.300 0.115 0.000 1.043 309 I CB 2.123 40.189 38.000 0.109 0.000 1.239 309 I HN 0.718 nan 8.210 nan 0.000 0.420 310 A N 7.082 129.925 122.820 0.037 0.000 2.427 310 A HA 0.942 5.277 4.320 0.025 0.000 0.298 310 A C -1.049 176.463 177.584 -0.120 0.000 1.036 310 A CA -0.512 51.523 52.037 -0.004 0.000 0.701 310 A CB 1.640 20.579 19.000 -0.100 0.000 1.250 310 A HN 0.701 nan 8.150 nan 0.000 0.412 311 M N 2.784 122.357 119.600 -0.045 0.000 2.267 311 M HA 0.605 5.100 4.480 0.025 0.000 0.289 311 M C -1.698 174.698 176.300 0.159 0.000 1.043 311 M CA -0.097 55.187 55.300 -0.026 0.000 0.928 311 M CB 1.912 34.529 32.600 0.029 0.000 1.613 311 M HN 0.559 nan 8.290 nan 0.000 0.450 312 F N 1.578 121.497 119.950 -0.052 0.000 2.561 312 F HA 0.439 4.980 4.527 0.024 0.000 0.321 312 F C 0.648 176.450 175.800 0.003 0.000 1.065 312 F CA -1.813 56.093 58.000 -0.158 0.000 0.934 312 F CB 1.384 40.002 39.000 -0.637 0.000 1.215 312 F HN 0.605 nan 8.300 nan 0.000 0.471 313 N N 1.666 120.518 118.700 0.254 0.000 2.558 313 N HA 0.191 4.946 4.740 0.025 0.000 0.281 313 N C -0.990 174.586 175.510 0.110 0.000 1.219 313 N CA -0.024 53.054 53.050 0.047 0.000 0.942 313 N CB -0.379 38.123 38.487 0.024 0.000 1.241 313 N HN 0.467 nan 8.380 nan 0.000 0.511 314 F N -2.649 117.339 119.950 0.064 0.000 2.831 314 F HA 0.516 5.058 4.527 0.024 0.000 0.318 314 F C -0.048 175.891 175.800 0.231 0.000 1.174 314 F CA -1.209 56.856 58.000 0.107 0.000 0.918 314 F CB 0.890 39.925 39.000 0.059 0.000 1.364 314 F HN -0.195 nan 8.300 nan 0.000 0.475 315 E N 0.829 121.252 120.200 0.371 0.000 2.311 315 E HA 0.287 4.652 4.350 0.025 0.000 0.198 315 E C 0.491 177.250 176.600 0.265 0.000 1.115 315 E CA -0.259 56.280 56.400 0.231 0.000 1.140 315 E CB 0.294 30.130 29.700 0.225 0.000 1.204 315 E HN 0.765 nan 8.360 nan 0.000 0.446 316 G N -0.100 108.839 108.800 0.231 0.000 2.543 316 G HA2 0.289 4.264 3.960 0.025 0.000 0.290 316 G HA3 0.289 4.264 3.960 0.025 0.000 0.290 316 G C 0.477 175.596 174.900 0.364 0.000 1.310 316 G CA -0.593 44.776 45.100 0.448 0.000 1.025 316 G HN 0.208 nan 8.290 nan 0.000 0.502 317 G N -0.449 108.654 108.800 0.505 0.000 3.090 317 G HA2 0.403 4.378 3.960 0.025 0.000 0.259 317 G HA3 0.403 4.378 3.960 0.025 0.000 0.259 317 G C 1.157 176.042 174.900 -0.026 0.000 0.797 317 G CA 0.813 46.088 45.100 0.291 0.000 2.032 317 G HN 0.849 nan 8.290 nan 0.000 0.614 318 A N 0.978 123.536 122.820 -0.436 0.000 1.933 318 A HA -0.040 4.295 4.320 0.025 0.000 0.218 318 A C 2.668 180.062 177.584 -0.318 0.000 1.175 318 A CA 2.066 53.583 52.037 -0.867 0.000 0.628 318 A CB -0.265 18.151 19.000 -0.973 0.000 0.814 318 A HN 0.459 nan 8.150 nan 0.000 0.444 319 S N -0.807 114.802 115.700 -0.151 0.000 2.368 319 S HA -0.168 4.317 4.470 0.025 0.000 0.225 319 S C 1.953 176.628 174.600 0.125 0.000 1.030 319 S CA 1.348 59.538 58.200 -0.017 0.000 0.999 319 S CB -0.260 62.921 63.200 -0.032 0.000 0.844 319 S HN 0.766 nan 8.310 nan 0.000 0.459 320 E N 0.867 121.137 120.200 0.117 0.000 2.077 320 E HA -0.140 4.225 4.350 0.025 0.000 0.193 320 E C 1.925 178.652 176.600 0.212 0.000 0.989 320 E CA 1.169 57.704 56.400 0.225 0.000 0.800 320 E CB -0.056 29.821 29.700 0.295 0.000 0.746 320 E HN 0.269 nan 8.360 nan 0.000 0.452 321 V N 1.297 121.227 119.914 0.026 0.000 2.255 321 V HA -0.301 3.834 4.120 0.025 0.000 0.247 321 V C 2.497 178.686 176.094 0.159 0.000 1.051 321 V CA 1.985 64.326 62.300 0.069 0.000 1.018 321 V CB -0.863 30.926 31.823 -0.056 0.000 0.641 321 V HN 0.473 nan 8.190 nan 0.000 0.445 322 A N -0.830 122.086 122.820 0.159 0.000 1.902 322 A HA -0.248 4.087 4.320 0.025 0.000 0.217 322 A C 2.113 179.910 177.584 0.355 0.000 1.181 322 A CA 2.059 54.248 52.037 0.254 0.000 0.623 322 A CB -0.720 18.433 19.000 0.255 0.000 0.818 322 A HN 0.508 nan 8.150 nan 0.000 0.443 323 F N 0.656 120.745 119.950 0.232 0.000 2.134 323 F HA -0.102 4.439 4.527 0.023 0.000 0.299 323 F C 2.165 177.938 175.800 -0.045 0.000 1.097 323 F CA 1.964 60.007 58.000 0.072 0.000 1.264 323 F CB -0.166 38.893 39.000 0.099 0.000 1.001 323 F HN 0.131 nan 8.300 nan 0.000 0.479 324 K N 0.006 120.373 120.400 -0.055 0.000 2.097 324 K HA -0.122 4.213 4.320 0.025 0.000 0.205 324 K C 2.127 178.474 176.600 -0.422 0.000 1.050 324 K CA 1.502 57.610 56.287 -0.298 0.000 0.938 324 K CB -0.392 31.924 32.500 -0.306 0.000 0.718 324 K HN 0.319 nan 8.250 nan 0.000 0.442 325 L N 0.407 121.461 121.223 -0.283 0.000 2.042 325 L HA -0.214 4.141 4.340 0.025 0.000 0.210 325 L C 2.634 179.415 176.870 -0.148 0.000 1.076 325 L CA 0.915 55.641 54.840 -0.190 0.000 0.749 325 L CB -0.337 41.731 42.059 0.014 0.000 0.893 325 L HN 0.236 nan 8.230 nan 0.000 0.432 326 M N 0.309 119.818 119.600 -0.150 0.000 2.086 326 M HA -0.202 4.293 4.480 0.025 0.000 0.261 326 M C 1.965 178.103 176.300 -0.270 0.000 1.067 326 M CA 1.824 57.017 55.300 -0.179 0.000 1.116 326 M CB -0.556 31.912 32.600 -0.220 0.000 1.348 326 M HN 0.120 nan 8.290 nan 0.000 0.407 327 N N 0.395 118.840 118.700 -0.426 0.000 2.120 327 N HA -0.106 4.649 4.740 0.025 0.000 0.188 327 N C 1.828 177.198 175.510 -0.233 0.000 1.024 327 N CA 1.894 54.717 53.050 -0.379 0.000 0.852 327 N CB -0.510 37.700 38.487 -0.463 0.000 1.003 327 N HN 0.482 nan 8.380 nan 0.000 0.424 328 I N 0.961 121.395 120.570 -0.227 0.000 2.179 328 I HA -0.250 3.935 4.170 0.025 0.000 0.242 328 I C 2.228 178.301 176.117 -0.073 0.000 1.088 328 I CA 1.178 62.386 61.300 -0.154 0.000 1.357 328 I CB -0.302 37.589 38.000 -0.180 0.000 1.051 328 I HN 0.067 nan 8.210 nan 0.000 0.409 329 A N 0.449 123.252 122.820 -0.028 0.000 2.015 329 A HA -0.083 4.251 4.320 0.025 0.000 0.219 329 A C 2.191 179.828 177.584 0.089 0.000 1.163 329 A CA 1.247 53.354 52.037 0.116 0.000 0.646 329 A CB -0.627 18.476 19.000 0.171 0.000 0.806 329 A HN 0.435 nan 8.150 nan 0.000 0.448 330 L N -1.351 119.857 121.223 -0.024 0.000 2.558 330 L HA 0.184 4.539 4.340 0.025 0.000 0.225 330 L C 1.606 178.445 176.870 -0.052 0.000 1.128 330 L CA 0.478 55.292 54.840 -0.044 0.000 0.868 330 L CB -0.203 41.791 42.059 -0.108 0.000 1.006 330 L HN 0.550 nan 8.230 nan 0.000 0.454 331 G N 0.815 109.577 108.800 -0.062 0.000 2.198 331 G HA2 -0.247 3.728 3.960 0.025 0.000 0.260 331 G HA3 -0.247 3.728 3.960 0.025 0.000 0.260 331 G C 0.132 174.985 174.900 -0.078 0.000 1.025 331 G CA 0.080 45.141 45.100 -0.065 0.000 0.769 331 G HN 0.119 nan 8.290 nan 0.000 0.507 332 V N 0.798 120.647 119.914 -0.108 0.000 2.455 332 V HA 0.622 4.757 4.120 0.025 0.000 0.273 332 V C 1.100 177.134 176.094 -0.100 0.000 1.045 332 V CA 0.583 62.816 62.300 -0.112 0.000 0.976 332 V CB 1.101 32.830 31.823 -0.157 0.000 0.993 332 V HN 0.926 nan 8.190 nan 0.000 0.475 333 S N 3.668 119.326 115.700 -0.070 0.000 2.400 333 S HA 0.630 5.115 4.470 0.025 0.000 0.295 333 S C 0.608 175.182 174.600 -0.043 0.000 1.113 333 S CA 0.056 58.225 58.200 -0.052 0.000 1.064 333 S CB 0.007 63.185 63.200 -0.038 0.000 0.990 333 S HN 1.068 nan 8.310 nan 0.000 0.502 334 S N 1.736 117.413 115.700 -0.038 0.000 2.430 334 S HA 0.733 5.218 4.470 0.025 0.000 0.289 334 S C 0.346 174.947 174.600 0.002 0.000 1.143 334 S CA 0.077 58.270 58.200 -0.012 0.000 1.067 334 S CB -0.129 63.073 63.200 0.004 0.000 0.964 334 S HN 1.418 nan 8.310 nan 0.000 0.485 335 S N 1.392 117.094 115.700 0.004 0.000 2.548 335 S HA 0.853 5.338 4.470 0.025 0.000 0.286 335 S C 0.140 174.745 174.600 0.008 0.000 1.098 335 S CA -0.068 58.134 58.200 0.005 0.000 0.930 335 S CB 0.279 63.477 63.200 -0.004 0.000 1.070 335 S HN 1.532 nan 8.310 nan 0.000 0.480 336 E N -0.171 120.034 120.200 0.008 0.000 3.142 336 E HA 0.399 4.764 4.350 0.025 0.000 0.276 336 E C 0.107 176.711 176.600 0.006 0.000 0.887 336 E CA 0.695 57.100 56.400 0.008 0.000 0.975 336 E CB -1.241 28.463 29.700 0.006 0.000 0.937 336 E HN 2.203 nan 8.360 nan 0.000 0.516 337 V N 1.842 121.760 119.914 0.006 0.000 2.483 337 V HA 0.676 4.811 4.120 0.025 0.000 0.295 337 V C 0.687 176.783 176.094 0.004 0.000 1.035 337 V CA -0.272 62.030 62.300 0.004 0.000 0.896 337 V CB 1.854 33.679 31.823 0.003 0.000 0.986 337 V HN 1.120 nan 8.190 nan 0.000 0.447 338 S N 5.021 120.725 115.700 0.005 0.000 2.489 338 S HA 0.744 5.229 4.470 0.025 0.000 0.277 338 S C -0.106 174.499 174.600 0.008 0.000 1.230 338 S CA -0.662 57.542 58.200 0.007 0.000 1.053 338 S CB 0.812 64.016 63.200 0.007 0.000 0.955 338 S HN 0.814 nan 8.310 nan 0.000 0.488 339 R N 1.287 121.793 120.500 0.010 0.000 2.758 339 R HA 0.801 5.156 4.340 0.025 0.000 0.265 339 R C -0.899 175.414 176.300 0.021 0.000 1.016 339 R CA -0.920 55.187 56.100 0.012 0.000 1.040 339 R CB 1.586 31.890 30.300 0.006 0.000 1.152 339 R HN 0.501 nan 8.270 nan 0.000 0.503 340 V N 0.649 120.581 119.914 0.030 0.000 3.046 340 V HA 0.406 4.541 4.120 0.025 0.000 0.316 340 V C -0.131 175.996 176.094 0.055 0.000 1.104 340 V CA -0.564 61.762 62.300 0.043 0.000 1.006 340 V CB 1.878 33.732 31.823 0.052 0.000 1.058 340 V HN 0.956 nan 8.190 nan 0.000 0.440 341 E N 1.262 121.499 120.200 0.062 0.000 2.384 341 E HA 0.578 4.943 4.350 0.025 0.000 0.266 341 E C 0.109 176.777 176.600 0.113 0.000 1.012 341 E CA 0.012 56.459 56.400 0.077 0.000 0.901 341 E CB 0.818 nan 29.700 nan 0.000 0.967 341 E HN 1.362 nan 8.360 nan 0.000 0.435 342 A N 3.191 126.090 122.820 0.132 0.000 2.350 342 A HA 0.413 4.748 4.320 0.025 0.000 0.293 342 A C 0.153 177.825 177.584 0.146 0.000 1.231 342 A CA -0.258 51.886 52.037 0.178 0.000 0.883 342 A CB 0.115 19.214 19.000 0.165 0.000 1.133 342 A HN 0.755 nan 8.150 nan 0.000 0.533 343 D N 3.005 123.512 120.400 0.178 0.000 2.472 343 D HA 0.233 4.888 4.640 0.025 0.000 0.237 343 D C 1.461 177.632 176.300 -0.216 0.000 1.141 343 D CA 0.976 54.973 54.000 -0.005 0.000 0.875 343 D CB 0.979 41.730 40.800 -0.082 0.000 1.192 343 D HN 0.575 nan 8.370 nan 0.000 0.450 344 S N 2.610 118.181 115.700 -0.215 0.000 2.469 344 S HA -0.020 4.465 4.470 0.025 0.000 0.238 344 S C 1.782 176.223 174.600 -0.264 0.000 0.998 344 S CA 1.290 59.306 58.200 -0.306 0.000 0.957 344 S CB -0.226 62.977 63.200 0.006 0.000 0.764 344 S HN 0.602 nan 8.310 nan 0.000 0.514 345 A N -0.391 122.319 122.820 -0.183 0.000 2.172 345 A HA 0.103 4.438 4.320 0.025 0.000 0.216 345 A C 1.731 179.335 177.584 0.034 0.000 1.154 345 A CA 0.679 52.663 52.037 -0.088 0.000 0.701 345 A CB -0.718 18.202 19.000 -0.134 0.000 0.789 345 A HN 0.800 nan 8.150 nan 0.000 0.465 346 W N -0.894 120.296 121.300 -0.185 0.000 2.476 346 W HA 0.132 4.802 4.660 0.017 0.000 0.281 346 W C -0.017 176.702 176.519 0.332 0.000 1.230 346 W CA -0.389 56.964 57.345 0.012 0.000 1.287 346 W CB -0.084 29.250 29.460 -0.211 0.000 1.108 346 W HN 0.164 nan 8.180 nan 0.000 0.567 347 F N 1.087 121.319 119.950 0.470 0.000 2.471 347 F HA 0.479 5.012 4.527 0.010 0.000 0.353 347 F C 1.083 177.022 175.800 0.232 0.000 1.113 347 F CA -0.004 58.184 58.000 0.314 0.000 1.262 347 F CB -0.500 38.612 39.000 0.187 0.000 1.146 347 F HN 0.049 nan 8.300 nan 0.000 0.578 348 G N 1.126 110.158 108.800 0.387 0.000 2.318 348 G HA2 0.168 4.143 3.960 0.025 0.000 0.367 348 G HA3 0.168 4.143 3.960 0.025 0.000 0.367 348 G C -1.369 173.606 174.900 0.125 0.000 1.260 348 G CA -0.886 44.295 45.100 0.135 0.000 1.055 348 G HN 0.689 nan 8.290 nan 0.000 0.484 349 S N -0.763 114.886 115.700 -0.085 0.000 2.568 349 S HA 0.818 5.302 4.470 0.025 0.000 0.302 349 S C -1.496 172.962 174.600 -0.236 0.000 1.082 349 S CA -0.298 57.911 58.200 0.015 0.000 1.009 349 S CB 1.477 64.703 63.200 0.042 0.000 1.069 349 S HN 0.605 nan 8.310 nan 0.000 0.500 350 W N 1.976 123.341 121.300 0.108 0.000 2.839 350 W HA 0.640 5.313 4.660 0.022 0.000 0.334 350 W C -1.051 175.532 176.519 0.107 0.000 1.064 350 W CA -0.561 56.842 57.345 0.097 0.000 1.236 350 W CB 1.116 30.636 29.460 0.099 0.000 1.405 350 W HN 0.417 nan 8.180 nan 0.000 0.478 351 L N 3.336 124.723 121.223 0.273 0.000 2.341 351 L HA 0.536 4.891 4.340 0.025 0.000 0.278 351 L C -0.662 176.323 176.870 0.192 0.000 1.005 351 L CA -0.354 54.612 54.840 0.210 0.000 0.818 351 L CB 1.308 43.453 42.059 0.143 0.000 1.259 351 L HN 0.367 nan 8.230 nan 0.000 0.418 352 D N 2.387 122.897 120.400 0.184 0.000 2.280 352 D HA 0.179 4.834 4.640 0.025 0.000 0.243 352 D C 0.376 176.748 176.300 0.121 0.000 1.129 352 D CA -0.008 54.081 54.000 0.148 0.000 0.848 352 D CB 1.083 41.978 40.800 0.157 0.000 1.107 352 D HN 0.574 nan 8.370 nan 0.000 0.471 353 D N 2.803 123.264 120.400 0.100 0.000 2.144 353 D HA -0.155 4.500 4.640 0.025 0.000 0.200 353 D C 1.410 177.754 176.300 0.073 0.000 0.978 353 D CA 0.745 54.796 54.000 0.084 0.000 0.833 353 D CB 0.169 41.013 40.800 0.073 0.000 0.961 353 D HN 0.732 nan 8.370 nan 0.000 0.470 354 E N -0.062 120.180 120.200 0.070 0.000 2.051 354 E HA -0.137 4.228 4.350 0.025 0.000 0.192 354 E C 1.508 178.139 176.600 0.053 0.000 0.991 354 E CA 1.300 57.734 56.400 0.057 0.000 0.799 354 E CB 0.183 29.915 29.700 0.054 0.000 0.748 354 E HN 0.015 nan 8.360 nan 0.000 0.449 355 T N -1.798 112.793 114.554 0.061 0.000 3.037 355 T HA 0.179 4.544 4.350 0.025 0.000 0.252 355 T C 0.954 175.694 174.700 0.067 0.000 1.073 355 T CA 0.804 62.935 62.100 0.051 0.000 1.091 355 T CB 0.347 69.254 68.868 0.064 0.000 0.935 355 T HN 0.500 nan 8.240 nan 0.000 0.488 356 G N 1.271 110.124 108.800 0.089 0.000 2.179 356 G HA2 -0.203 3.771 3.960 0.025 0.000 0.260 356 G HA3 -0.203 3.771 3.960 0.025 0.000 0.260 356 G C 0.095 175.066 174.900 0.119 0.000 0.977 356 G CA 0.105 45.261 45.100 0.093 0.000 0.641 356 G HN 0.502 nan 8.290 nan 0.000 0.533 357 L N -0.001 121.311 121.223 0.148 0.000 2.439 357 L HA 0.703 5.058 4.340 0.025 0.000 0.261 357 L C 0.568 177.592 176.870 0.256 0.000 1.153 357 L CA -0.974 53.979 54.840 0.187 0.000 0.808 357 L CB 1.499 43.702 42.059 0.239 0.000 1.126 357 L HN -0.039 nan 8.230 nan 0.000 0.460 358 V N 2.256 122.333 119.914 0.273 0.000 2.735 358 V HA 0.425 4.560 4.120 0.025 0.000 0.310 358 V C -0.676 175.663 176.094 0.409 0.000 1.061 358 V CA -0.643 61.837 62.300 0.299 0.000 0.913 358 V CB 2.332 34.284 31.823 0.215 0.000 1.005 358 V HN 0.454 nan 8.190 nan 0.000 0.428 359 L N 3.660 125.128 121.223 0.409 0.000 2.322 359 L HA 0.810 5.165 4.340 0.025 0.000 0.281 359 L C -0.209 176.887 176.870 0.378 0.000 1.014 359 L CA 0.580 55.657 54.840 0.396 0.000 0.815 359 L CB 2.021 44.227 42.059 0.246 0.000 1.247 359 L HN 0.636 nan 8.230 nan 0.000 0.421 360 S N 5.514 121.390 115.700 0.293 0.000 2.500 360 S HA 0.775 5.260 4.470 0.025 0.000 0.301 360 S C -0.798 173.945 174.600 0.238 0.000 1.092 360 S CA -0.543 57.818 58.200 0.269 0.000 1.030 360 S CB 1.381 64.683 63.200 0.169 0.000 1.031 360 S HN 0.587 nan 8.310 nan 0.000 0.483 361 L N 3.017 124.418 121.223 0.296 0.000 2.365 361 L HA 0.661 5.016 4.340 0.025 0.000 0.273 361 L C -0.197 176.786 176.870 0.188 0.000 1.000 361 L CA -0.497 54.497 54.840 0.257 0.000 0.819 361 L CB 1.854 44.155 42.059 0.403 0.000 1.284 361 L HN 0.753 nan 8.230 nan 0.000 0.418 362 E N 0.949 121.144 120.200 -0.008 0.000 2.408 362 E HA 0.271 4.636 4.350 0.025 0.000 0.275 362 E C -1.669 174.634 176.600 -0.495 0.000 0.935 362 E CA -0.922 55.269 56.400 -0.349 0.000 0.775 362 E CB 2.267 31.832 29.700 -0.224 0.000 1.277 362 E HN 0.371 nan 8.360 nan 0.000 0.455 363 D N 0.827 120.680 120.400 -0.911 0.000 2.425 363 D HA 0.171 4.826 4.640 0.025 0.000 0.247 363 D C -0.366 175.810 176.300 -0.207 0.000 1.147 363 D CA 0.361 54.070 54.000 -0.484 0.000 0.879 363 D CB 1.405 41.939 40.800 -0.444 0.000 1.179 363 D HN 0.547 nan 8.370 nan 0.000 0.456 364 A N 2.698 125.462 122.820 -0.092 0.000 2.589 364 A HA 0.590 4.925 4.320 0.025 0.000 0.283 364 A C 0.907 178.471 177.584 -0.033 0.000 1.187 364 A CA 0.682 52.681 52.037 -0.064 0.000 0.957 364 A CB 0.017 18.986 19.000 -0.052 0.000 1.175 364 A HN 0.873 nan 8.150 nan 0.000 0.532 365 G N -1.562 107.227 108.800 -0.018 0.000 2.464 365 G HA2 0.271 4.246 3.960 0.025 0.000 0.216 365 G HA3 0.271 4.246 3.960 0.025 0.000 0.216 365 G C 0.353 175.267 174.900 0.024 0.000 1.186 365 G CA 0.122 45.225 45.100 0.004 0.000 1.010 365 G HN 1.919 nan 8.290 nan 0.000 0.585 366 H N 0.525 119.606 119.070 0.018 0.000 5.528 366 H HA 0.474 5.045 4.556 0.025 0.000 0.132 366 H C 2.878 178.218 175.328 0.019 0.000 0.446 366 H CA 1.664 57.724 56.048 0.020 0.000 1.281 366 H CB -1.256 28.512 29.762 0.011 0.000 1.416 366 H HN 2.727 nan 8.280 nan 0.000 1.022 367 G N 0.301 109.120 108.800 0.030 0.000 2.176 367 G HA2 -0.224 3.751 3.960 0.025 0.000 0.252 367 G HA3 -0.224 3.751 3.960 0.025 0.000 0.252 367 G C 0.282 175.176 174.900 -0.009 0.000 1.024 367 G CA 0.467 45.579 45.100 0.020 0.000 0.755 367 G HN 0.979 nan 8.290 nan 0.000 0.507 368 R N -1.210 119.285 120.500 -0.008 0.000 2.744 368 R HA 0.804 5.159 4.340 0.025 0.000 0.279 368 R C -0.086 176.192 176.300 -0.037 0.000 0.977 368 R CA -0.787 55.291 56.100 -0.036 0.000 0.906 368 R CB 1.420 31.704 30.300 -0.026 0.000 1.197 368 R HN 0.253 nan 8.270 nan 0.000 0.463 369 M N 1.354 120.908 119.600 -0.076 0.000 2.518 369 M HA 0.405 4.899 4.480 0.025 0.000 0.300 369 M C -0.866 175.393 176.300 -0.069 0.000 1.175 369 M CA -0.822 54.438 55.300 -0.067 0.000 0.890 369 M CB 2.762 35.303 32.600 -0.098 0.000 1.710 369 M HN 0.252 nan 8.290 nan 0.000 0.453 370 K N 1.723 122.088 120.400 -0.059 0.000 2.240 370 K HA 0.718 5.053 4.320 0.025 0.000 0.271 370 K C -1.324 175.265 176.600 -0.018 0.000 1.018 370 K CA -0.247 56.014 56.287 -0.043 0.000 0.874 370 K CB 1.181 33.653 32.500 -0.046 0.000 1.098 370 K HN 0.807 nan 8.250 nan 0.000 0.458 371 A N 4.926 127.741 122.820 -0.009 0.000 2.317 371 A HA 0.535 4.870 4.320 0.025 0.000 0.327 371 A C -0.833 176.786 177.584 0.058 0.000 1.178 371 A CA -0.867 51.187 52.037 0.028 0.000 0.817 371 A CB 0.810 19.811 19.000 0.000 0.000 1.189 371 A HN 0.863 nan 8.150 nan 0.000 0.489 372 R N 1.749 122.312 120.500 0.104 0.000 2.371 372 R HA 0.510 4.865 4.340 0.025 0.000 0.312 372 R C -0.784 175.631 176.300 0.193 0.000 0.980 372 R CA -0.137 56.022 56.100 0.099 0.000 0.867 372 R CB 0.887 31.232 30.300 0.074 0.000 1.163 372 R HN 0.886 nan 8.270 nan 0.000 0.492 373 F N 0.564 120.513 119.950 -0.002 0.000 2.072 373 F HA 0.363 4.905 4.527 0.025 0.000 0.284 373 F C 0.841 176.641 175.800 -0.001 0.000 0.941 373 F CA 0.083 58.097 58.000 0.024 0.000 1.151 373 F CB 0.253 39.268 39.000 0.025 0.000 1.308 373 F HN 0.538 nan 8.300 nan 0.000 0.677 374 G N 0.044 108.651 108.800 -0.321 0.000 2.494 374 G HA2 0.217 4.192 3.960 0.025 0.000 0.270 374 G HA3 0.217 4.192 3.960 0.025 0.000 0.270 374 G C 0.849 175.535 174.900 -0.357 0.000 1.423 374 G CA 0.463 45.234 45.100 -0.548 0.000 1.055 374 G HN 0.298 nan 8.290 nan 0.000 0.536 375 T N -1.786 112.538 114.554 -0.383 0.000 2.867 375 T HA 0.065 4.430 4.350 0.025 0.000 0.268 375 T C 1.040 175.640 174.700 -0.167 0.000 1.057 375 T CA 1.670 63.647 62.100 -0.206 0.000 1.136 375 T CB -0.218 68.585 68.868 -0.109 0.000 0.874 375 T HN 0.266 nan 8.240 nan 0.000 0.466 376 S N 1.847 117.439 115.700 -0.179 0.000 2.568 376 S HA 0.672 5.157 4.470 0.025 0.000 0.302 376 S C -2.718 171.829 174.600 -0.089 0.000 1.082 376 S CA -1.184 56.950 58.200 -0.110 0.000 1.009 376 S CB 1.827 64.966 63.200 -0.102 0.000 1.069 376 S HN 0.277 nan 8.310 nan 0.000 0.500 377 P HA 0.232 nan 4.420 nan 0.000 0.272 377 P C -0.791 176.490 177.300 -0.030 0.000 1.230 377 P CA -0.344 62.740 63.100 -0.025 0.000 0.788 377 P CB 0.314 32.006 31.700 -0.014 0.000 0.949 378 E N 0.762 120.949 120.200 -0.020 0.000 2.340 378 E HA 0.497 4.861 4.350 0.025 0.000 0.273 378 E C -1.011 175.572 176.600 -0.029 0.000 0.891 378 E CA -0.992 55.391 56.400 -0.028 0.000 0.757 378 E CB 1.105 30.785 29.700 -0.034 0.000 1.231 378 E HN 0.113 nan 8.360 nan 0.000 0.439 379 M N 2.749 122.331 119.600 -0.029 0.000 2.146 379 M HA 0.359 4.854 4.480 0.025 0.000 0.357 379 M C -0.351 175.919 176.300 -0.051 0.000 1.261 379 M CA -0.019 55.260 55.300 -0.036 0.000 1.106 379 M CB 0.708 33.296 32.600 -0.021 0.000 1.612 379 M HN 0.643 nan 8.290 nan 0.000 0.470 380 M N 2.382 121.936 119.600 -0.077 0.000 2.364 380 M HA 0.337 4.832 4.480 0.025 0.000 0.334 380 M C -0.596 175.639 176.300 -0.108 0.000 1.107 380 M CA -0.729 54.507 55.300 -0.107 0.000 0.988 380 M CB 1.903 34.400 32.600 -0.172 0.000 1.673 380 M HN 0.445 nan 8.290 nan 0.000 0.441 381 D N 2.493 122.840 120.400 -0.088 0.000 2.264 381 D HA 0.255 4.910 4.640 0.025 0.000 0.250 381 D C -0.576 175.665 176.300 -0.097 0.000 1.113 381 D CA -0.162 53.796 54.000 -0.071 0.000 0.871 381 D CB 2.030 42.808 40.800 -0.038 0.000 1.167 381 D HN 0.220 nan 8.370 nan 0.000 0.447 382 V N 3.157 123.016 119.914 -0.091 0.000 2.372 382 V HA 0.015 4.150 4.120 0.025 0.000 0.261 382 V C 1.547 177.639 176.094 -0.003 0.000 1.055 382 V CA -0.321 61.932 62.300 -0.079 0.000 0.930 382 V CB 0.973 32.756 31.823 -0.067 0.000 1.031 382 V HN 0.482 nan 8.190 nan 0.000 0.479 383 V N 2.092 122.014 119.914 0.013 0.000 3.590 383 V HA 0.334 4.469 4.120 0.025 0.000 0.265 383 V C 0.722 176.842 176.094 0.043 0.000 1.239 383 V CA 0.899 63.212 62.300 0.023 0.000 1.117 383 V CB -0.015 31.816 31.823 0.013 0.000 0.818 383 V HN 0.833 nan 8.190 nan 0.000 0.451 384 S N -1.852 113.893 115.700 0.076 0.000 2.643 384 S HA 0.774 5.259 4.470 0.025 0.000 0.270 384 S C 0.824 175.498 174.600 0.123 0.000 1.166 384 S CA 0.027 58.273 58.200 0.076 0.000 0.815 384 S CB 1.094 64.327 63.200 0.055 0.000 1.139 384 S HN 0.975 nan 8.310 nan 0.000 0.472 385 A N 1.561 124.431 122.820 0.083 0.000 1.917 385 A HA -0.116 4.218 4.320 0.025 0.000 0.219 385 A C 1.623 179.253 177.584 0.076 0.000 1.182 385 A CA 2.295 54.376 52.037 0.073 0.000 0.633 385 A CB -1.163 17.837 19.000 -0.000 0.000 0.819 385 A HN 1.169 nan 8.150 nan 0.000 0.448 386 N N -1.037 117.690 118.700 0.046 0.000 2.235 386 N HA 0.123 4.878 4.740 0.025 0.000 0.231 386 N C -0.304 175.314 175.510 0.180 0.000 1.177 386 N CA 0.153 53.163 53.050 -0.068 0.000 0.874 386 N CB 0.239 38.636 38.487 -0.149 0.000 1.097 386 N HN 0.620 nan 8.380 nan 0.000 0.518 387 E N 0.158 120.570 120.200 0.353 0.000 2.275 387 E HA 0.685 5.050 4.350 0.025 0.000 0.270 387 E C -1.807 174.902 176.600 0.182 0.000 0.882 387 E CA -0.844 55.720 56.400 0.273 0.000 0.758 387 E CB 2.090 31.857 29.700 0.111 0.000 1.195 387 E HN 0.252 nan 8.360 nan 0.000 0.419 388 A N 4.005 126.841 122.820 0.027 0.000 2.498 388 A HA 0.864 5.199 4.320 0.025 0.000 0.298 388 A C -1.229 176.283 177.584 -0.121 0.000 1.075 388 A CA -0.855 51.082 52.037 -0.166 0.000 0.714 388 A CB 1.484 20.173 19.000 -0.518 0.000 1.299 388 A HN 0.719 nan 8.150 nan 0.000 0.407 389 R N -0.157 120.278 120.500 -0.109 0.000 2.680 389 R HA 0.749 5.103 4.340 0.025 0.000 0.269 389 R C -0.616 175.644 176.300 -0.067 0.000 1.026 389 R CA -0.089 55.966 56.100 -0.076 0.000 0.889 389 R CB 1.403 31.678 30.300 -0.040 0.000 1.241 389 R HN 0.995 nan 8.270 nan 0.000 0.463 390 S N 0.576 116.243 115.700 -0.055 0.000 2.786 390 S HA 0.601 5.086 4.470 0.025 0.000 0.307 390 S C 1.073 175.661 174.600 -0.021 0.000 1.121 390 S CA -0.354 57.823 58.200 -0.039 0.000 0.975 390 S CB 1.608 64.783 63.200 -0.043 0.000 1.220 390 S HN 0.810 nan 8.310 nan 0.000 0.550 391 A N -0.166 122.646 122.820 -0.013 0.000 2.015 391 A HA 0.151 4.486 4.320 0.025 0.000 0.219 391 A C 1.742 179.333 177.584 0.010 0.000 1.163 391 A CA 1.393 53.432 52.037 0.003 0.000 0.646 391 A CB -0.846 18.153 19.000 -0.002 0.000 0.806 391 A HN 0.719 nan 8.150 nan 0.000 0.448 392 V N -1.477 118.435 119.914 -0.003 0.000 3.212 392 V HA 0.108 4.243 4.120 0.025 0.000 0.244 392 V C 1.114 177.218 176.094 0.017 0.000 1.151 392 V CA 1.453 63.761 62.300 0.013 0.000 1.119 392 V CB 0.518 32.337 31.823 -0.007 0.000 0.838 392 V HN 0.576 nan 8.190 nan 0.000 0.470 393 T N 0.650 115.198 114.554 -0.009 0.000 2.876 393 T HA 0.554 4.919 4.350 0.025 0.000 0.289 393 T C -0.442 174.227 174.700 -0.052 0.000 1.014 393 T CA -0.037 62.045 62.100 -0.030 0.000 0.986 393 T CB 1.745 70.582 68.868 -0.052 0.000 1.021 393 T HN 0.345 nan 8.240 nan 0.000 0.458 394 T N 2.804 117.325 114.554 -0.054 0.000 2.829 394 T HA 0.734 5.099 4.350 0.025 0.000 0.280 394 T C -0.037 174.621 174.700 -0.069 0.000 0.999 394 T CA -0.888 61.181 62.100 -0.052 0.000 0.983 394 T CB 0.740 69.593 68.868 -0.025 0.000 0.968 394 T HN 0.895 nan 8.240 nan 0.000 0.446 395 I N -0.113 120.422 120.570 -0.058 0.000 2.647 395 I HA 0.772 4.957 4.170 0.025 0.000 0.295 395 I C -0.678 175.490 176.117 0.085 0.000 1.078 395 I CA -1.415 59.864 61.300 -0.036 0.000 1.048 395 I CB 2.439 40.394 38.000 -0.075 0.000 1.239 395 I HN 0.768 nan 8.210 nan 0.000 0.421 396 R N 4.800 125.324 120.500 0.041 0.000 2.532 396 R HA 0.543 4.898 4.340 0.025 0.000 0.297 396 R C -1.373 174.863 176.300 -0.107 0.000 0.984 396 R CA -0.756 55.363 56.100 0.030 0.000 0.884 396 R CB 2.189 32.481 30.300 -0.012 0.000 1.182 396 R HN 0.908 nan 8.270 nan 0.000 0.442 397 R N 2.398 122.734 120.500 -0.272 0.000 2.407 397 R HA 0.204 4.559 4.340 0.025 0.000 0.303 397 R C -1.398 174.717 176.300 -0.307 0.000 0.981 397 R CA -0.464 55.356 56.100 -0.468 0.000 0.905 397 R CB 1.201 30.894 30.300 -1.011 0.000 1.099 397 R HN 0.568 nan 8.270 nan 0.000 0.459 398 D N 3.463 123.741 120.400 -0.203 0.000 2.346 398 D HA 0.315 4.970 4.640 0.025 0.000 0.255 398 D C 0.511 176.775 176.300 -0.060 0.000 1.276 398 D CA 0.755 54.683 54.000 -0.119 0.000 0.941 398 D CB 1.009 41.765 40.800 -0.073 0.000 1.199 398 D HN 0.797 nan 8.370 nan 0.000 0.537 399 G N 3.781 112.541 108.800 -0.066 0.000 2.596 399 G HA2 -0.304 3.670 3.960 0.025 0.000 0.304 399 G HA3 -0.304 3.670 3.960 0.025 0.000 0.304 399 G C 0.562 175.521 174.900 0.098 0.000 1.189 399 G CA 0.213 45.310 45.100 -0.005 0.000 0.986 399 G HN 0.481 nan 8.290 nan 0.000 0.548 400 E N 2.277 122.549 120.200 0.120 0.000 2.394 400 E HA 0.253 4.618 4.350 0.025 0.000 0.191 400 E C 0.952 177.773 176.600 0.369 0.000 1.044 400 E CA 0.987 57.510 56.400 0.205 0.000 0.939 400 E CB 0.198 29.937 29.700 0.066 0.000 1.089 400 E HN 0.829 nan 8.360 nan 0.000 0.456 401 T N -2.236 112.499 114.554 0.302 0.000 2.900 401 T HA 0.703 5.068 4.350 0.025 0.000 0.295 401 T C -0.090 174.609 174.700 -0.002 0.000 1.044 401 T CA -0.700 61.538 62.100 0.229 0.000 0.995 401 T CB 1.858 70.784 68.868 0.097 0.000 1.072 401 T HN -0.084 nan 8.240 nan 0.000 0.473 402 I N 1.437 121.950 120.570 -0.096 0.000 2.509 402 I HA 0.384 4.569 4.170 0.025 0.000 0.293 402 I C -0.173 175.863 176.117 -0.134 0.000 1.020 402 I CA -0.905 60.211 61.300 -0.308 0.000 1.088 402 I CB 2.341 39.932 38.000 -0.681 0.000 1.267 402 I HN 0.723 nan 8.210 nan 0.000 0.430 403 E N 6.254 126.384 120.200 -0.116 0.000 2.156 403 E HA 0.460 4.825 4.350 0.025 0.000 0.279 403 E C -1.124 175.418 176.600 -0.096 0.000 0.965 403 E CA -0.561 55.795 56.400 -0.073 0.000 0.789 403 E CB 2.560 32.230 29.700 -0.049 0.000 1.098 403 E HN 0.340 nan 8.360 nan 0.000 0.397 404 L N 3.581 124.739 121.223 -0.109 0.000 2.341 404 L HA 0.552 4.907 4.340 0.025 0.000 0.278 404 L C -1.484 175.318 176.870 -0.113 0.000 1.005 404 L CA -0.830 53.912 54.840 -0.165 0.000 0.818 404 L CB 1.361 43.234 42.059 -0.309 0.000 1.259 404 L HN 0.285 nan 8.230 nan 0.000 0.418 405 V N 5.244 125.105 119.914 -0.088 0.000 2.531 405 V HA 0.532 4.666 4.120 0.025 0.000 0.301 405 V C -0.324 175.764 176.094 -0.010 0.000 1.034 405 V CA -0.553 61.727 62.300 -0.033 0.000 0.865 405 V CB 1.885 33.697 31.823 -0.018 0.000 0.995 405 V HN 0.712 nan 8.190 nan 0.000 0.424 406 R N 3.031 123.558 120.500 0.045 0.000 2.402 406 R HA 0.478 4.833 4.340 0.025 0.000 0.290 406 R C 1.080 177.441 176.300 0.102 0.000 1.321 406 R CA -0.117 56.040 56.100 0.095 0.000 1.283 406 R CB 1.422 31.839 30.300 0.195 0.000 1.111 406 R HN 0.898 nan 8.270 nan 0.000 0.578 407 A N 1.259 124.122 122.820 0.072 0.000 1.978 407 A HA -0.213 4.121 4.320 0.025 0.000 0.220 407 A C 2.053 179.711 177.584 0.123 0.000 1.170 407 A CA 2.220 54.301 52.037 0.073 0.000 0.636 407 A CB -0.180 18.853 19.000 0.056 0.000 0.810 407 A HN 0.651 nan 8.150 nan 0.000 0.448 408 S N -0.252 115.534 115.700 0.144 0.000 2.447 408 S HA -0.105 4.380 4.470 0.025 0.000 0.233 408 S C 1.292 176.069 174.600 0.295 0.000 1.006 408 S CA 1.210 59.523 58.200 0.188 0.000 0.957 408 S CB -0.325 62.950 63.200 0.124 0.000 0.773 408 S HN 0.714 nan 8.310 nan 0.000 0.507 409 E N 0.778 121.141 120.200 0.272 0.000 2.474 409 E HA 0.171 4.536 4.350 0.025 0.000 0.195 409 E C -0.073 176.479 176.600 -0.081 0.000 1.039 409 E CA -0.205 56.386 56.400 0.319 0.000 0.881 409 E CB -0.093 29.862 29.700 0.425 0.000 0.970 409 E HN 0.407 nan 8.360 nan 0.000 0.486 410 N N 0.637 119.238 118.700 -0.164 0.000 2.776 410 N HA -0.166 4.589 4.740 0.025 0.000 0.249 410 N C -1.328 174.045 175.510 -0.228 0.000 1.111 410 N CA 0.338 53.140 53.050 -0.413 0.000 0.711 410 N CB -1.073 36.731 38.487 -1.139 0.000 1.065 410 N HN 0.124 nan 8.380 nan 0.000 0.556 411 L N 0.621 121.857 121.223 0.021 0.000 2.322 411 L HA 0.633 4.988 4.340 0.025 0.000 0.281 411 L C 0.088 177.003 176.870 0.074 0.000 1.014 411 L CA -0.386 54.535 54.840 0.134 0.000 0.815 411 L CB 1.385 43.569 42.059 0.207 0.000 1.247 411 L HN 0.197 nan 8.230 nan 0.000 0.421 412 R N 5.668 126.210 120.500 0.070 0.000 2.515 412 R HA 0.661 5.016 4.340 0.025 0.000 0.291 412 R C -2.145 174.176 176.300 0.036 0.000 1.046 412 R CA -0.554 55.564 56.100 0.030 0.000 0.914 412 R CB 1.064 31.372 30.300 0.014 0.000 1.191 412 R HN 0.726 nan 8.270 nan 0.000 0.435 413 L N 1.800 123.029 121.223 0.011 0.000 2.341 413 L HA 0.540 4.895 4.340 0.025 0.000 0.267 413 L C -0.269 176.608 176.870 0.013 0.000 1.009 413 L CA -1.084 53.772 54.840 0.027 0.000 0.819 413 L CB 2.245 44.327 42.059 0.037 0.000 1.323 413 L HN 0.547 nan 8.230 nan 0.000 0.425 414 S N 2.726 118.448 115.700 0.037 0.000 2.498 414 S HA 0.715 5.200 4.470 0.025 0.000 0.324 414 S C -0.656 173.991 174.600 0.078 0.000 1.071 414 S CA -0.644 57.581 58.200 0.040 0.000 1.113 414 S CB 0.378 63.602 63.200 0.041 0.000 0.976 414 S HN 0.503 nan 8.310 nan 0.000 0.462 415 M N 3.940 123.598 119.600 0.098 0.000 2.383 415 M HA 0.534 5.029 4.480 0.025 0.000 0.325 415 M C -0.073 176.406 176.300 0.299 0.000 1.092 415 M CA -0.787 54.627 55.300 0.189 0.000 0.961 415 M CB 1.866 34.593 32.600 0.211 0.000 1.672 415 M HN 0.542 nan 8.290 nan 0.000 0.438 416 K N 1.919 122.488 120.400 0.283 0.000 2.164 416 K HA 0.541 4.876 4.320 0.025 0.000 0.258 416 K C -0.470 176.248 176.600 0.197 0.000 0.951 416 K CA -0.836 55.611 56.287 0.266 0.000 0.844 416 K CB 1.405 33.985 32.500 0.133 0.000 1.099 416 K HN 0.864 nan 8.250 nan 0.000 0.435 417 R N 1.433 121.918 120.500 -0.024 0.000 2.585 417 R HA 0.178 4.533 4.340 0.025 0.000 0.275 417 R C -0.684 175.425 176.300 -0.319 0.000 1.018 417 R CA -0.060 55.657 56.100 -0.639 0.000 1.072 417 R CB 0.177 29.965 30.300 -0.854 0.000 0.953 417 R HN 0.429 nan 8.270 nan 0.000 0.419 418 V N 3.944 123.659 119.914 -0.331 0.000 2.465 418 V HA 0.521 4.656 4.120 0.025 0.000 0.279 418 V C 0.671 176.660 176.094 -0.175 0.000 1.045 418 V CA 0.196 62.398 62.300 -0.162 0.000 0.938 418 V CB 1.037 32.800 31.823 -0.099 0.000 0.986 418 V HN 0.979 nan 8.190 nan 0.000 0.467 419 K N 2.271 122.602 120.400 -0.114 0.000 2.250 419 K HA 0.946 5.281 4.320 0.025 0.000 0.261 419 K C 0.275 176.833 176.600 -0.071 0.000 1.047 419 K CA -0.134 56.092 56.287 -0.102 0.000 0.884 419 K CB 0.980 33.423 32.500 -0.094 0.000 1.476 419 K HN 2.169 nan 8.250 nan 0.000 0.445 420 G N -2.193 106.571 108.800 -0.061 0.000 2.756 420 G HA2 0.446 4.421 3.960 0.025 0.000 0.678 420 G HA3 0.446 4.421 3.960 0.025 0.000 0.678 420 G C -0.074 174.793 174.900 -0.055 0.000 1.349 420 G CA 0.727 45.800 45.100 -0.044 0.000 0.847 420 G HN 1.907 nan 8.290 nan 0.000 0.548 421 E N -0.694 119.483 120.200 -0.040 0.000 2.216 421 E HA 0.898 5.263 4.350 0.025 0.000 0.279 421 E C 0.482 177.065 176.600 -0.028 0.000 0.997 421 E CA 0.222 56.596 56.400 -0.043 0.000 0.817 421 E CB 1.574 31.258 29.700 -0.026 0.000 1.096 421 E HN 2.358 nan 8.360 nan 0.000 0.393 422 A N 3.158 125.944 122.820 -0.056 0.000 2.320 422 A HA 0.483 4.818 4.320 0.025 0.000 0.287 422 A C 0.243 177.957 177.584 0.217 0.000 1.181 422 A CA -0.510 51.531 52.037 0.007 0.000 0.831 422 A CB 0.096 18.909 19.000 -0.312 0.000 1.102 422 A HN 0.581 nan 8.150 nan 0.000 0.513 423 K N 1.404 121.934 120.400 0.216 0.000 2.295 423 K HA 0.130 4.464 4.320 0.025 0.000 0.270 423 K C -0.477 176.364 176.600 0.401 0.000 1.011 423 K CA -0.170 56.258 56.287 0.235 0.000 0.953 423 K CB 0.408 32.981 32.500 0.121 0.000 0.956 423 K HN 0.735 nan 8.250 nan 0.000 0.477 424 H N 1.008 120.143 119.070 0.109 0.000 2.567 424 H HA -0.014 4.557 4.556 0.024 0.000 0.294 424 H C 0.401 175.712 175.328 -0.029 0.000 1.050 424 H CA -0.044 56.046 56.048 0.069 0.000 1.168 424 H CB -0.186 29.626 29.762 0.083 0.000 1.422 424 H HN 0.570 nan 8.280 nan 0.000 0.562 425 D N 0.269 120.702 120.400 0.056 0.000 2.328 425 D HA -0.073 4.582 4.640 0.025 0.000 0.226 425 D C 1.515 177.762 176.300 -0.088 0.000 1.066 425 D CA -0.043 53.953 54.000 -0.006 0.000 0.861 425 D CB -0.631 40.176 40.800 0.011 0.000 0.912 425 D HN 0.606 nan 8.370 nan 0.000 0.521 426 I N -1.364 119.064 120.570 -0.237 0.000 3.001 426 I HA 0.063 4.248 4.170 0.025 0.000 0.268 426 I C 1.238 177.267 176.117 -0.147 0.000 1.267 426 I CA -0.423 60.636 61.300 -0.402 0.000 1.472 426 I CB -0.699 36.626 38.000 -1.126 0.000 1.089 426 I HN -0.088 nan 8.210 nan 0.000 0.468 427 I N 0.889 121.381 120.570 -0.130 0.000 2.813 427 I HA 0.628 4.812 4.170 0.025 0.000 0.287 427 I C 0.595 176.704 176.117 -0.013 0.000 1.196 427 I CA 0.378 61.642 61.300 -0.060 0.000 1.421 427 I CB -0.084 37.878 38.000 -0.063 0.000 1.365 427 I HN 0.296 nan 8.210 nan 0.000 0.591 428 G N 4.286 113.081 108.800 -0.009 0.000 2.340 428 G HA2 0.158 4.133 3.960 0.025 0.000 0.282 428 G HA3 0.158 4.133 3.960 0.025 0.000 0.282 428 G C -1.591 173.233 174.900 -0.128 0.000 1.312 428 G CA -0.910 44.118 45.100 -0.119 0.000 0.942 428 G HN 0.965 nan 8.290 nan 0.000 0.495 429 R N -0.569 119.772 120.500 -0.265 0.000 2.599 429 R HA 0.730 5.085 4.340 0.025 0.000 0.295 429 R C -1.466 174.663 176.300 -0.285 0.000 0.963 429 R CA -0.758 55.266 56.100 -0.127 0.000 0.883 429 R CB 1.265 31.537 30.300 -0.047 0.000 1.171 429 R HN 0.546 nan 8.270 nan 0.000 0.450 430 Y N 1.069 121.436 120.300 0.111 0.000 2.499 430 Y HA 0.374 4.939 4.550 0.025 0.000 0.347 430 Y C -0.464 175.644 175.900 0.345 0.000 0.987 430 Y CA -0.821 57.398 58.100 0.197 0.000 1.044 430 Y CB 1.947 40.493 38.460 0.144 0.000 1.245 430 Y HN 0.641 nan 8.280 nan 0.000 0.461 431 H N 0.003 119.280 119.070 0.344 0.000 2.600 431 H HA 0.546 5.117 4.556 0.025 0.000 0.357 431 H C -1.159 174.126 175.328 -0.071 0.000 1.106 431 H CA -0.683 55.463 56.048 0.163 0.000 1.193 431 H CB 1.871 31.669 29.762 0.061 0.000 1.594 431 H HN 0.524 nan 8.280 nan 0.000 0.526 432 S N 3.238 118.405 115.700 -0.889 0.000 2.420 432 S HA 0.135 4.620 4.470 0.025 0.000 0.313 432 S C 0.326 174.479 174.600 -0.744 0.000 1.079 432 S CA -0.684 56.951 58.200 -0.942 0.000 1.104 432 S CB 0.400 62.907 63.200 -1.155 0.000 0.969 432 S HN 0.745 nan 8.310 nan 0.000 0.471 433 D N 3.654 123.840 120.400 -0.357 0.000 2.144 433 D HA -0.122 4.533 4.640 0.025 0.000 0.200 433 D C 1.595 177.793 176.300 -0.169 0.000 0.978 433 D CA 1.144 55.055 54.000 -0.149 0.000 0.833 433 D CB 0.027 40.805 40.800 -0.037 0.000 0.961 433 D HN 0.875 nan 8.370 nan 0.000 0.470 434 E N 0.289 120.365 120.200 -0.206 0.000 2.106 434 E HA -0.091 4.274 4.350 0.025 0.000 0.192 434 E C 2.054 178.551 176.600 -0.171 0.000 0.984 434 E CA 0.522 56.818 56.400 -0.174 0.000 0.806 434 E CB 0.058 29.653 29.700 -0.175 0.000 0.750 434 E HN 0.217 nan 8.360 nan 0.000 0.458 435 L N 0.146 121.240 121.223 -0.216 0.000 2.446 435 L HA 0.038 4.393 4.340 0.025 0.000 0.219 435 L C 0.467 177.263 176.870 -0.123 0.000 1.116 435 L CA 0.221 54.971 54.840 -0.149 0.000 0.844 435 L CB 0.109 42.086 42.059 -0.136 0.000 0.970 435 L HN 0.159 nan 8.230 nan 0.000 0.457 436 D N 0.662 120.946 120.400 -0.193 0.000 2.716 436 D HA -0.156 4.499 4.640 0.025 0.000 0.239 436 D C -0.278 176.002 176.300 -0.033 0.000 1.125 436 D CA 0.805 54.756 54.000 -0.082 0.000 0.681 436 D CB -0.553 40.257 40.800 0.017 0.000 1.070 436 D HN 0.387 nan 8.370 nan 0.000 0.432 437 A N 0.538 123.224 122.820 -0.223 0.000 2.498 437 A HA 0.691 5.026 4.320 0.025 0.000 0.298 437 A C -0.718 176.890 177.584 0.039 0.000 1.075 437 A CA -0.752 51.281 52.037 -0.006 0.000 0.714 437 A CB 1.676 20.702 19.000 0.044 0.000 1.299 437 A HN 0.093 nan 8.150 nan 0.000 0.407 438 D N -0.079 120.457 120.400 0.225 0.000 2.340 438 D HA 0.601 5.256 4.640 0.025 0.000 0.240 438 D C -1.227 175.245 176.300 0.287 0.000 1.001 438 D CA -0.076 54.108 54.000 0.306 0.000 0.888 438 D CB 2.080 43.028 40.800 0.246 0.000 1.310 438 D HN 0.379 nan 8.370 nan 0.000 0.474 439 L N 1.964 123.336 121.223 0.248 0.000 2.349 439 L HA 0.537 4.892 4.340 0.025 0.000 0.278 439 L C -1.865 175.050 176.870 0.075 0.000 0.996 439 L CA -0.778 54.078 54.840 0.026 0.000 0.825 439 L CB 1.422 43.325 42.059 -0.259 0.000 1.243 439 L HN 0.259 nan 8.230 nan 0.000 0.412 440 L N 6.112 127.328 121.223 -0.013 0.000 2.296 440 L HA 0.664 5.018 4.340 0.025 0.000 0.286 440 L C -1.601 175.250 176.870 -0.031 0.000 1.023 440 L CA -0.148 54.700 54.840 0.014 0.000 0.812 440 L CB 1.336 43.394 42.059 -0.003 0.000 1.223 440 L HN 0.604 nan 8.230 nan 0.000 0.421 441 L N 6.619 127.847 121.223 0.009 0.000 2.356 441 L HA 0.765 5.120 4.340 0.025 0.000 0.277 441 L C -0.671 176.175 176.870 -0.041 0.000 0.996 441 L CA -0.936 53.876 54.840 -0.046 0.000 0.822 441 L CB 1.890 43.919 42.059 -0.050 0.000 1.256 441 L HN 0.561 nan 8.230 nan 0.000 0.413 442 V N -0.276 119.615 119.914 -0.039 0.000 3.040 442 V HA 0.700 4.835 4.120 0.025 0.000 0.312 442 V C -0.460 175.640 176.094 0.010 0.000 1.115 442 V CA -0.645 61.646 62.300 -0.016 0.000 0.998 442 V CB 2.027 33.845 31.823 -0.009 0.000 1.042 442 V HN 0.685 nan 8.190 nan 0.000 0.433 443 S N 1.346 117.058 115.700 0.019 0.000 2.451 443 S HA 0.613 5.098 4.470 0.025 0.000 0.301 443 S C -0.674 173.969 174.600 0.073 0.000 1.116 443 S CA -0.481 57.758 58.200 0.065 0.000 1.093 443 S CB 0.926 64.167 63.200 0.069 0.000 1.017 443 S HN 0.874 nan 8.310 nan 0.000 0.482 444 E N 2.948 123.218 120.200 0.117 0.000 2.437 444 E HA 0.352 4.717 4.350 0.025 0.000 0.238 444 E C 0.510 177.166 176.600 0.093 0.000 0.969 444 E CA -0.239 56.191 56.400 0.050 0.000 0.759 444 E CB 0.788 30.442 29.700 -0.075 0.000 1.283 444 E HN 1.101 nan 8.360 nan 0.000 0.416 445 G N 1.717 110.561 108.800 0.074 0.000 2.147 445 G HA2 -0.285 3.690 3.960 0.025 0.000 0.244 445 G HA3 -0.285 3.690 3.960 0.025 0.000 0.244 445 G C 0.913 175.880 174.900 0.113 0.000 1.005 445 G CA 0.517 45.665 45.100 0.080 0.000 0.713 445 G HN 1.086 nan 8.290 nan 0.000 0.515 446 G N -1.993 106.893 108.800 0.143 0.000 2.213 446 G HA2 0.244 4.219 3.960 0.025 0.000 0.236 446 G HA3 0.244 4.219 3.960 0.025 0.000 0.236 446 G C 0.674 175.742 174.900 0.280 0.000 0.991 446 G CA 1.123 46.343 45.100 0.200 0.000 0.629 446 G HN 2.303 nan 8.290 nan 0.000 0.517 447 A N 0.587 123.546 122.820 0.231 0.000 2.274 447 A HA 0.783 5.118 4.320 0.025 0.000 0.309 447 A C 0.235 177.906 177.584 0.145 0.000 1.226 447 A CA -0.457 51.701 52.037 0.202 0.000 0.853 447 A CB 0.530 19.685 19.000 0.258 0.000 1.146 447 A HN 0.600 nan 8.150 nan 0.000 0.518 448 I N 2.175 122.704 120.570 -0.068 0.000 2.396 448 I HA 0.356 4.541 4.170 0.025 0.000 0.292 448 I C -0.866 175.066 176.117 -0.308 0.000 0.999 448 I CA -0.170 61.031 61.300 -0.165 0.000 1.310 448 I CB 0.953 38.691 38.000 -0.436 0.000 1.404 448 I HN 0.633 nan 8.210 nan 0.000 0.496 449 Y N 2.899 123.104 120.300 -0.158 0.000 2.570 449 Y HA 0.723 5.288 4.550 0.026 0.000 0.345 449 Y C 0.496 176.301 175.900 -0.158 0.000 1.014 449 Y CA -0.794 57.227 58.100 -0.132 0.000 1.063 449 Y CB 2.270 40.678 38.460 -0.086 0.000 1.272 449 Y HN 0.537 nan 8.280 nan 0.000 0.477 450 G N 0.016 108.808 108.800 -0.014 0.000 2.619 450 G HA2 0.780 4.754 3.960 0.025 0.000 0.296 450 G HA3 0.780 4.754 3.960 0.025 0.000 0.296 450 G C -1.909 172.869 174.900 -0.203 0.000 1.334 450 G CA -0.827 44.175 45.100 -0.164 0.000 0.934 450 G HN 0.792 nan 8.290 nan 0.000 0.476 451 A N 0.027 122.670 122.820 -0.296 0.000 2.475 451 A HA 0.823 5.158 4.320 0.025 0.000 0.301 451 A C -1.620 175.730 177.584 -0.391 0.000 1.059 451 A CA -0.673 51.200 52.037 -0.273 0.000 0.710 451 A CB 1.235 20.201 19.000 -0.058 0.000 1.288 451 A HN 0.580 nan 8.150 nan 0.000 0.408 452 F N 0.857 120.837 119.950 0.051 0.000 2.415 452 F HA 0.527 5.068 4.527 0.024 0.000 0.348 452 F C 0.558 176.387 175.800 0.050 0.000 1.119 452 F CA -0.047 57.959 58.000 0.009 0.000 1.069 452 F CB 1.714 40.691 39.000 -0.039 0.000 1.124 452 F HN 0.534 nan 8.300 nan 0.000 0.472 453 E N 1.947 122.279 120.200 0.220 0.000 2.244 453 E HA 0.650 5.014 4.350 0.025 0.000 0.260 453 E C -0.071 176.631 176.600 0.169 0.000 0.884 453 E CA -0.630 55.868 56.400 0.164 0.000 0.777 453 E CB 2.159 31.933 29.700 0.123 0.000 1.197 453 E HN 0.854 nan 8.360 nan 0.000 0.416 454 G N 1.108 109.999 108.800 0.151 0.000 2.772 454 G HA2 0.179 4.154 3.960 0.025 0.000 0.284 454 G HA3 0.179 4.154 3.960 0.025 0.000 0.284 454 G C -0.151 174.862 174.900 0.190 0.000 1.217 454 G CA -0.696 44.515 45.100 0.184 0.000 0.831 454 G HN 0.518 nan 8.290 nan 0.000 0.523 455 F N -0.027 119.964 119.950 0.069 0.000 2.502 455 F HA 0.320 4.862 4.527 0.025 0.000 0.298 455 F C 1.618 177.462 175.800 0.072 0.000 1.111 455 F CA 0.802 58.837 58.000 0.059 0.000 1.445 455 F CB -0.088 38.936 39.000 0.040 0.000 1.081 455 F HN 0.083 nan 8.300 nan 0.000 0.558 456 L N 0.588 121.513 121.223 -0.497 0.000 2.509 456 L HA 0.460 4.815 4.340 0.025 0.000 0.222 456 L C 1.128 177.936 176.870 -0.104 0.000 1.123 456 L CA 0.401 55.008 54.840 -0.387 0.000 0.856 456 L CB -0.507 41.337 42.059 -0.358 0.000 0.985 456 L HN 0.533 nan 8.230 nan 0.000 0.456 457 G N -0.039 108.747 108.800 -0.024 0.000 2.340 457 G HA2 0.016 3.991 3.960 0.025 0.000 0.282 457 G HA3 0.016 3.991 3.960 0.025 0.000 0.282 457 G C -1.513 173.428 174.900 0.069 0.000 1.312 457 G CA -0.912 44.206 45.100 0.030 0.000 0.942 457 G HN -0.071 nan 8.290 nan 0.000 0.495 458 K N 0.735 121.181 120.400 0.075 0.000 2.358 458 K HA 0.610 4.945 4.320 0.025 0.000 0.260 458 K C 0.533 177.201 176.600 0.113 0.000 0.956 458 K CA -0.261 56.081 56.287 0.093 0.000 0.834 458 K CB 1.842 34.382 32.500 0.066 0.000 1.102 458 K HN 0.843 nan 8.250 nan 0.000 0.431 459 S N 1.726 117.530 115.700 0.173 0.000 2.634 459 S HA 0.180 4.665 4.470 0.025 0.000 0.261 459 S C 0.148 174.831 174.600 0.138 0.000 1.271 459 S CA -0.640 57.696 58.200 0.227 0.000 0.985 459 S CB 0.637 64.113 63.200 0.460 0.000 0.968 459 S HN 0.385 nan 8.310 nan 0.000 0.568 460 D N 0.727 121.189 120.400 0.102 0.000 2.360 460 D HA 0.209 4.864 4.640 0.025 0.000 0.242 460 D C 0.299 176.565 176.300 -0.056 0.000 1.184 460 D CA 0.063 54.037 54.000 -0.043 0.000 0.930 460 D CB 0.200 40.892 40.800 -0.180 0.000 1.161 460 D HN 0.448 nan 8.370 nan 0.000 0.447 461 M N 0.854 120.401 119.600 -0.089 0.000 2.217 461 M HA 0.157 4.652 4.480 0.025 0.000 0.354 461 M C -0.801 175.475 176.300 -0.040 0.000 1.225 461 M CA 0.165 55.457 55.300 -0.014 0.000 1.137 461 M CB 0.010 32.587 32.600 -0.037 0.000 1.576 461 M HN 0.301 nan 8.290 nan 0.000 0.461 462 Y N 3.040 123.398 120.300 0.098 0.000 2.425 462 Y HA 0.405 4.969 4.550 0.024 0.000 0.344 462 Y C -1.905 173.977 175.900 -0.030 0.000 0.969 462 Y CA -2.067 56.089 58.100 0.093 0.000 1.052 462 Y CB 1.525 40.013 38.460 0.047 0.000 1.215 462 Y HN 0.487 nan 8.280 nan 0.000 0.451 463 P HA 0.105 nan 4.420 nan 0.000 0.268 463 P C -1.006 175.938 177.300 -0.593 0.000 1.205 463 P CA 0.005 62.692 63.100 -0.688 0.000 0.771 463 P CB 0.998 32.357 31.700 -0.567 0.000 0.858 464 L N 3.528 124.343 121.223 -0.679 0.000 2.330 464 L HA 0.471 4.826 4.340 0.025 0.000 0.271 464 L C -0.317 176.242 176.870 -0.518 0.000 1.013 464 L CA -0.532 54.062 54.840 -0.410 0.000 0.816 464 L CB 0.994 42.965 42.059 -0.147 0.000 1.287 464 L HN 0.312 nan 8.230 nan 0.000 0.435 465 Y N -0.300 120.176 120.300 0.293 0.000 2.361 465 Y HA 0.486 5.052 4.550 0.027 0.000 0.337 465 Y C 0.158 176.066 175.900 0.014 0.000 0.965 465 Y CA -0.989 57.204 58.100 0.154 0.000 1.091 465 Y CB 2.047 40.546 38.460 0.064 0.000 1.182 465 Y HN 0.550 nan 8.280 nan 0.000 0.450 466 S N 0.916 116.416 115.700 -0.333 0.000 2.584 466 S HA 0.406 4.891 4.470 0.025 0.000 0.273 466 S C 0.526 174.903 174.600 -0.372 0.000 1.311 466 S CA -0.351 57.306 58.200 -0.905 0.000 1.034 466 S CB 1.481 63.683 63.200 -1.664 0.000 0.939 466 S HN 0.738 nan 8.310 nan 0.000 0.513 467 V N -1.038 118.693 119.914 -0.304 0.000 3.556 467 V HA 0.704 4.839 4.120 0.025 0.000 0.287 467 V C 0.764 176.763 176.094 -0.158 0.000 1.422 467 V CA 0.476 62.687 62.300 -0.149 0.000 1.038 467 V CB -0.554 31.240 31.823 -0.048 0.000 0.850 467 V HN 1.252 nan 8.190 nan 0.000 0.437 468 G N -0.447 108.228 108.800 -0.209 0.000 2.342 468 G HA2 0.408 4.383 3.960 0.025 0.000 0.297 468 G HA3 0.408 4.383 3.960 0.025 0.000 0.297 468 G C -1.136 173.684 174.900 -0.133 0.000 1.313 468 G CA -0.149 44.864 45.100 -0.144 0.000 0.830 468 G HN 0.132 nan 8.290 nan 0.000 0.506 469 S N 1.044 116.710 115.700 -0.056 0.000 2.544 469 S HA 0.334 4.818 4.470 0.025 0.000 0.290 469 S C 0.163 174.807 174.600 0.074 0.000 1.276 469 S CA 0.832 59.034 58.200 0.003 0.000 1.075 469 S CB 0.542 63.760 63.200 0.030 0.000 0.849 469 S HN 0.674 nan 8.310 nan 0.000 0.494 470 D N 0.053 120.552 120.400 0.165 0.000 3.012 470 D HA -0.139 4.516 4.640 0.025 0.000 0.222 470 D C -0.746 175.835 176.300 0.469 0.000 1.167 470 D CA 0.811 55.032 54.000 0.368 0.000 0.854 470 D CB -1.364 39.617 40.800 0.302 0.000 1.107 470 D HN 0.337 nan 8.370 nan 0.000 0.421 471 V N 0.325 120.395 119.914 0.260 0.000 2.482 471 V HA 0.550 4.685 4.120 0.025 0.000 0.295 471 V C -0.306 175.871 176.094 0.138 0.000 1.026 471 V CA -0.768 61.679 62.300 0.244 0.000 0.856 471 V CB 1.527 33.414 31.823 0.108 0.000 1.001 471 V HN 0.075 nan 8.190 nan 0.000 0.424 472 W N 4.286 125.682 121.300 0.161 0.000 2.864 472 W HA 0.796 5.472 4.660 0.027 0.000 0.343 472 W C -0.722 175.868 176.519 0.118 0.000 1.109 472 W CA -0.685 56.739 57.345 0.133 0.000 1.192 472 W CB 1.641 31.190 29.460 0.148 0.000 1.426 472 W HN 0.289 nan 8.180 nan 0.000 0.529 473 L N 3.083 124.524 121.223 0.364 0.000 2.325 473 L HA 0.625 4.980 4.340 0.025 0.000 0.278 473 L C -0.626 176.414 176.870 0.285 0.000 1.023 473 L CA -1.127 53.887 54.840 0.291 0.000 0.811 473 L CB 1.607 43.824 42.059 0.264 0.000 1.249 473 L HN 0.311 nan 8.230 nan 0.000 0.431 474 L N 5.408 126.790 121.223 0.265 0.000 2.417 474 L HA 0.471 4.826 4.340 0.025 0.000 0.259 474 L C -2.390 174.645 176.870 0.274 0.000 1.023 474 L CA -1.528 53.451 54.840 0.232 0.000 0.901 474 L CB 1.848 44.029 42.059 0.203 0.000 1.227 474 L HN 0.311 nan 8.230 nan 0.000 0.454 475 P HA 0.126 nan 4.420 nan 0.000 0.276 475 P C -0.975 176.445 177.300 0.199 0.000 1.230 475 P CA -0.058 63.171 63.100 0.214 0.000 0.776 475 P CB 1.626 33.471 31.700 0.242 0.000 0.888 476 V N 4.718 124.713 119.914 0.135 0.000 2.419 476 V HA 0.132 4.267 4.120 0.025 0.000 0.287 476 V C 0.798 176.969 176.094 0.128 0.000 1.017 476 V CA -0.135 62.232 62.300 0.112 0.000 0.844 476 V CB 1.325 33.189 31.823 0.067 0.000 1.011 476 V HN 0.374 nan 8.190 nan 0.000 0.429 477 Q N 2.763 122.676 119.800 0.189 0.000 2.376 477 Q HA 0.297 4.652 4.340 0.025 0.000 0.206 477 Q C 0.527 176.590 176.000 0.105 0.000 0.921 477 Q CA 0.781 56.661 55.803 0.128 0.000 0.911 477 Q CB 0.472 29.291 28.738 0.135 0.000 1.032 477 Q HN 0.605 nan 8.270 nan 0.000 0.510 478 R N -0.192 120.389 120.500 0.135 0.000 2.621 478 R HA 0.662 5.017 4.340 0.025 0.000 0.284 478 R C -0.997 175.359 176.300 0.094 0.000 0.998 478 R CA -0.281 55.876 56.100 0.096 0.000 0.895 478 R CB 2.128 32.487 30.300 0.098 0.000 1.195 478 R HN 0.149 nan 8.270 nan 0.000 0.450 479 S N 0.965 116.686 115.700 0.034 0.000 2.752 479 S HA 0.323 4.808 4.470 0.025 0.000 0.284 479 S C 0.695 175.248 174.600 -0.079 0.000 1.189 479 S CA -0.997 57.209 58.200 0.011 0.000 0.835 479 S CB 1.049 64.262 63.200 0.021 0.000 1.192 479 S HN 0.529 nan 8.310 nan 0.000 0.506 480 M N 0.906 120.426 119.600 -0.134 0.000 2.117 480 M HA 0.011 4.506 4.480 0.025 0.000 0.262 480 M C 0.494 176.471 176.300 -0.539 0.000 1.065 480 M CA 1.763 56.873 55.300 -0.316 0.000 1.114 480 M CB -0.415 31.983 32.600 -0.336 0.000 1.361 480 M HN 0.743 nan 8.290 nan 0.000 0.408 481 D N -0.596 119.492 120.400 -0.520 0.000 2.384 481 D HA 0.633 5.288 4.640 0.025 0.000 0.250 481 D C -1.223 174.962 176.300 -0.191 0.000 1.029 481 D CA -0.431 53.252 54.000 -0.529 0.000 0.990 481 D CB 1.339 41.723 40.800 -0.693 0.000 1.175 481 D HN 0.138 nan 8.370 nan 0.000 0.532 482 A N 0.938 123.708 122.820 -0.082 0.000 2.386 482 A HA 0.757 5.092 4.320 0.025 0.000 0.308 482 A C -2.528 175.073 177.584 0.027 0.000 1.128 482 A CA -1.404 50.630 52.037 -0.006 0.000 0.789 482 A CB 0.636 19.654 19.000 0.030 0.000 1.325 482 A HN 0.554 nan 8.150 nan 0.000 0.437 483 P HA -0.001 nan 4.420 nan 0.000 0.269 483 P C 0.426 177.725 177.300 -0.002 0.000 1.185 483 P CA 0.465 63.565 63.100 0.001 0.000 0.769 483 P CB 0.149 31.835 31.700 -0.023 0.000 0.809 484 S N 2.164 117.859 115.700 -0.009 0.000 2.617 484 S HA 0.216 4.701 4.470 0.025 0.000 0.259 484 S C -1.539 173.027 174.600 -0.058 0.000 1.301 484 S CA -0.764 57.428 58.200 -0.015 0.000 0.984 484 S CB -0.507 62.698 63.200 0.008 0.000 0.954 484 S HN 0.275 nan 8.310 nan 0.000 0.572 485 P HA 0.149 nan 4.420 nan 0.000 0.220 485 P C 1.178 178.293 177.300 -0.309 0.000 1.148 485 P CA 1.725 64.650 63.100 -0.292 0.000 0.803 485 P CB -0.556 30.788 31.700 -0.593 0.000 0.782 486 G N -0.718 107.959 108.800 -0.204 0.000 3.076 486 G HA2 -0.192 3.783 3.960 0.025 0.000 0.256 486 G HA3 -0.192 3.783 3.960 0.025 0.000 0.256 486 G C -0.782 174.039 174.900 -0.131 0.000 1.589 486 G CA -0.398 44.618 45.100 -0.140 0.000 1.044 486 G HN 0.321 nan 8.290 nan 0.000 0.563 487 E N 0.110 120.221 120.200 -0.148 0.000 2.165 487 E HA 0.466 4.831 4.350 0.025 0.000 0.266 487 E C -1.104 175.426 176.600 -0.116 0.000 0.889 487 E CA -0.633 55.738 56.400 -0.048 0.000 0.756 487 E CB 1.331 31.055 29.700 0.041 0.000 1.131 487 E HN 0.405 nan 8.360 nan 0.000 0.411 488 W N 3.209 124.536 121.300 0.045 0.000 2.238 488 W HA 0.166 4.842 4.660 0.026 0.000 0.321 488 W C 0.288 176.838 176.519 0.051 0.000 1.293 488 W CA -0.501 56.865 57.345 0.036 0.000 1.204 488 W CB 0.658 30.140 29.460 0.037 0.000 1.167 488 W HN 0.016 nan 8.180 nan 0.000 0.553 489 K N 4.445 125.010 120.400 0.276 0.000 2.263 489 K HA 0.403 4.738 4.320 0.025 0.000 0.272 489 K C -1.125 175.560 176.600 0.141 0.000 1.033 489 K CA -1.033 55.369 56.287 0.191 0.000 0.884 489 K CB 1.169 33.757 32.500 0.146 0.000 1.107 489 K HN 0.237 nan 8.250 nan 0.000 0.460 490 L N 2.987 124.273 121.223 0.105 0.000 2.280 490 L HA 0.347 4.701 4.340 0.025 0.000 0.287 490 L C -0.389 176.441 176.870 -0.067 0.000 1.023 490 L CA -0.648 54.132 54.840 -0.100 0.000 0.819 490 L CB 1.669 43.631 42.059 -0.161 0.000 1.212 490 L HN 0.223 nan 8.230 nan 0.000 0.420 491 V N 4.592 124.393 119.914 -0.189 0.000 2.376 491 V HA 0.419 4.554 4.120 0.025 0.000 0.287 491 V C -0.203 175.809 176.094 -0.136 0.000 1.015 491 V CA -0.599 61.687 62.300 -0.023 0.000 0.834 491 V CB 0.963 32.810 31.823 0.041 0.000 1.001 491 V HN 0.358 nan 8.190 nan 0.000 0.428 492 F N 3.783 123.779 119.950 0.077 0.000 2.375 492 F HA 0.604 5.145 4.527 0.024 0.000 0.333 492 F C 0.964 176.807 175.800 0.073 0.000 1.104 492 F CA -0.328 57.702 58.000 0.050 0.000 1.149 492 F CB 0.917 39.952 39.000 0.060 0.000 1.190 492 F HN 0.287 nan 8.300 nan 0.000 0.533 493 R N 2.027 122.672 120.500 0.241 0.000 2.637 493 R HA 0.699 5.054 4.340 0.025 0.000 0.291 493 R C -0.751 175.655 176.300 0.178 0.000 0.963 493 R CA -1.040 55.162 56.100 0.171 0.000 0.901 493 R CB 2.278 32.650 30.300 0.120 0.000 1.160 493 R HN 0.640 nan 8.270 nan 0.000 0.457 494 R N 0.463 121.046 120.500 0.137 0.000 2.854 494 R HA 0.280 4.635 4.340 0.025 0.000 0.271 494 R C -0.670 175.683 176.300 0.087 0.000 0.994 494 R CA -1.032 55.138 56.100 0.116 0.000 0.945 494 R CB 1.322 31.684 30.300 0.104 0.000 1.194 494 R HN 0.487 nan 8.270 nan 0.000 0.476 495 D N 0.479 120.924 120.400 0.075 0.000 2.312 495 D HA 0.005 4.660 4.640 0.025 0.000 0.244 495 D C 1.001 177.332 176.300 0.050 0.000 1.328 495 D CA 0.755 54.789 54.000 0.058 0.000 0.965 495 D CB 0.414 41.243 40.800 0.050 0.000 1.140 495 D HN 0.781 nan 8.370 nan 0.000 0.523 496 D N -0.757 119.668 120.400 0.041 0.000 2.277 496 D HA -0.021 4.634 4.640 0.025 0.000 0.208 496 D C 1.653 177.973 176.300 0.033 0.000 0.962 496 D CA 1.622 55.643 54.000 0.035 0.000 0.865 496 D CB -0.479 40.339 40.800 0.030 0.000 0.939 496 D HN 0.345 nan 8.370 nan 0.000 0.510 497 K N -0.579 119.841 120.400 0.033 0.000 2.459 497 K HA 0.496 4.831 4.320 0.025 0.000 0.193 497 K C 2.061 178.681 176.600 0.034 0.000 1.030 497 K CA 1.054 57.359 56.287 0.030 0.000 1.026 497 K CB -0.574 31.943 32.500 0.027 0.000 0.809 497 K HN 1.464 nan 8.250 nan 0.000 0.504 498 G N -1.770 107.055 108.800 0.042 0.000 2.141 498 G HA2 0.043 4.018 3.960 0.025 0.000 0.231 498 G HA3 0.043 4.018 3.960 0.025 0.000 0.231 498 G C 0.198 175.129 174.900 0.051 0.000 0.984 498 G CA 0.919 46.047 45.100 0.047 0.000 0.660 498 G HN 1.297 nan 8.290 nan 0.000 0.525 499 E N 0.229 120.461 120.200 0.052 0.000 2.301 499 E HA 0.718 5.082 4.350 0.025 0.000 0.275 499 E C 0.498 177.147 176.600 0.082 0.000 1.030 499 E CA -0.395 56.038 56.400 0.056 0.000 0.852 499 E CB 0.746 30.473 29.700 0.045 0.000 1.060 499 E HN 0.764 nan 8.360 nan 0.000 0.401 500 I N 2.580 123.210 120.570 0.099 0.000 2.533 500 I HA 0.117 4.302 4.170 0.025 0.000 0.284 500 I C 1.588 177.806 176.117 0.167 0.000 1.109 500 I CA 0.443 61.843 61.300 0.166 0.000 1.412 500 I CB 1.385 39.515 38.000 0.217 0.000 1.396 500 I HN 0.829 nan 8.210 nan 0.000 0.543 501 T N 1.095 115.756 114.554 0.179 0.000 2.990 501 T HA 0.459 4.824 4.350 0.025 0.000 0.249 501 T C 0.664 175.492 174.700 0.213 0.000 1.039 501 T CA 0.199 62.391 62.100 0.154 0.000 1.036 501 T CB 0.674 69.609 68.868 0.112 0.000 0.994 501 T HN 0.809 nan 8.240 nan 0.000 0.489 502 G N 0.966 109.931 108.800 0.275 0.000 2.325 502 G HA2 0.522 4.497 3.960 0.025 0.000 0.295 502 G HA3 0.522 4.497 3.960 0.025 0.000 0.295 502 G C -2.281 172.703 174.900 0.141 0.000 1.274 502 G CA -0.502 44.771 45.100 0.289 0.000 0.857 502 G HN 0.986 nan 8.290 nan 0.000 0.499 503 L N -2.400 118.815 121.223 -0.013 0.000 2.775 503 L HA 0.919 5.273 4.340 0.025 0.000 0.263 503 L C -0.747 176.039 176.870 -0.140 0.000 1.017 503 L CA -0.801 53.888 54.840 -0.252 0.000 0.891 503 L CB 1.733 43.264 42.059 -0.880 0.000 1.482 503 L HN 0.945 nan 8.230 nan 0.000 0.410 504 S N 0.793 116.398 115.700 -0.157 0.000 2.462 504 S HA 0.791 5.275 4.470 0.025 0.000 0.294 504 S C -0.791 173.760 174.600 -0.082 0.000 1.144 504 S CA -0.424 57.750 58.200 -0.043 0.000 1.088 504 S CB 1.337 64.534 63.200 -0.004 0.000 1.009 504 S HN 0.560 nan 8.310 nan 0.000 0.484 505 V N 4.570 124.492 119.914 0.014 0.000 2.409 505 V HA 0.861 4.996 4.120 0.025 0.000 0.291 505 V C 0.705 176.940 176.094 0.235 0.000 1.020 505 V CA -0.045 62.270 62.300 0.025 0.000 0.848 505 V CB 1.122 32.861 31.823 -0.139 0.000 0.990 505 V HN 1.072 nan 8.190 nan 0.000 0.430 506 G N 2.720 111.731 108.800 0.351 0.000 2.660 506 G HA2 0.716 4.691 3.960 0.025 0.000 0.290 506 G HA3 0.716 4.691 3.960 0.025 0.000 0.290 506 G C -1.029 174.015 174.900 0.239 0.000 1.432 506 G CA -0.049 45.275 45.100 0.374 0.000 0.807 506 G HN 1.155 nan 8.290 nan 0.000 0.485 507 C N -2.512 116.799 119.300 0.018 0.000 3.323 507 C HA 0.677 5.152 4.460 0.025 0.000 0.324 507 C C 1.074 176.017 174.990 -0.079 0.000 1.428 507 C CA -0.892 58.012 59.018 -0.189 0.000 1.368 507 C CB 0.783 28.171 27.740 -0.587 0.000 1.731 507 C HN 1.036 nan 8.230 nan 0.000 0.455 508 W N 0.439 121.562 121.300 -0.295 0.000 2.325 508 W HA -0.023 4.653 4.660 0.027 0.000 0.299 508 W C 1.740 178.209 176.519 -0.082 0.000 1.215 508 W CA 1.762 58.966 57.345 -0.234 0.000 1.244 508 W CB -0.098 29.181 29.460 -0.303 0.000 1.140 508 W HN 0.682 nan 8.180 nan 0.000 0.523 509 L N 0.211 121.526 121.223 0.154 0.000 2.291 509 L HA 0.068 4.423 4.340 0.025 0.000 0.214 509 L C 0.951 177.868 176.870 0.079 0.000 1.120 509 L CA 0.793 55.688 54.840 0.092 0.000 0.799 509 L CB -0.625 41.521 42.059 0.145 0.000 0.925 509 L HN 0.059 nan 8.230 nan 0.000 0.446 510 A N 0.204 123.082 122.820 0.096 0.000 2.684 510 A HA 0.539 4.874 4.320 0.025 0.000 0.289 510 A C -0.621 177.112 177.584 0.248 0.000 1.139 510 A CA -0.613 51.547 52.037 0.205 0.000 0.793 510 A CB 0.490 19.631 19.000 0.235 0.000 1.334 510 A HN 0.082 nan 8.150 nan 0.000 0.408 511 R N 0.681 121.363 120.500 0.304 0.000 2.486 511 R HA 0.623 4.978 4.340 0.025 0.000 0.286 511 R C 0.985 177.365 176.300 0.134 0.000 0.999 511 R CA 0.185 56.358 56.100 0.121 0.000 0.993 511 R CB 1.293 31.520 30.300 -0.123 0.000 1.084 511 R HN 1.692 nan 8.270 nan 0.000 0.487 512 G N 1.108 109.973 108.800 0.108 0.000 2.338 512 G HA2 -0.233 3.742 3.960 0.025 0.000 0.296 512 G HA3 -0.233 3.742 3.960 0.025 0.000 0.296 512 G C -0.137 174.813 174.900 0.083 0.000 1.040 512 G CA -0.070 45.080 45.100 0.084 0.000 1.004 512 G HN 0.353 nan 8.290 nan 0.000 0.509 513 V N 1.071 121.060 119.914 0.124 0.000 2.427 513 V HA 0.250 4.385 4.120 0.025 0.000 0.268 513 V C 0.573 176.737 176.094 0.116 0.000 1.046 513 V CA -0.566 61.789 62.300 0.091 0.000 0.970 513 V CB 1.237 33.143 31.823 0.137 0.000 1.001 513 V HN 0.404 nan 8.190 nan 0.000 0.476 514 E N 4.102 124.313 120.200 0.018 0.000 2.289 514 E HA 0.365 4.730 4.350 0.025 0.000 0.278 514 E C -1.156 175.441 176.600 -0.005 0.000 1.032 514 E CA -0.091 56.334 56.400 0.042 0.000 0.854 514 E CB 1.285 30.985 29.700 -0.000 0.000 1.046 514 E HN 0.558 nan 8.360 nan 0.000 0.409 515 Y N 1.120 121.397 120.300 -0.038 0.000 2.446 515 Y HA 0.316 4.881 4.550 0.025 0.000 0.345 515 Y C 0.607 176.569 175.900 0.102 0.000 0.984 515 Y CA -0.948 57.159 58.100 0.013 0.000 1.058 515 Y CB 1.595 40.051 38.460 -0.007 0.000 1.220 515 Y HN 0.327 nan 8.280 nan 0.000 0.455 516 R N 1.938 122.611 120.500 0.289 0.000 2.664 516 R HA 0.642 4.997 4.340 0.025 0.000 0.286 516 R C -0.666 175.811 176.300 0.295 0.000 0.967 516 R CA -1.125 55.127 56.100 0.252 0.000 0.933 516 R CB 1.781 32.169 30.300 0.147 0.000 1.146 516 R HN 0.691 nan 8.270 nan 0.000 0.468 517 R N 1.653 122.286 120.500 0.222 0.000 2.489 517 R HA 0.061 4.416 4.340 0.025 0.000 0.287 517 R C 0.185 176.435 176.300 -0.083 0.000 1.053 517 R CA 0.060 56.110 56.100 -0.083 0.000 1.036 517 R CB 1.139 31.380 30.300 -0.098 0.000 0.966 517 R HN 0.649 nan 8.270 nan 0.000 0.432 518 V N 3.315 123.136 119.914 -0.155 0.000 3.480 518 V HA 0.207 4.342 4.120 0.025 0.000 0.263 518 V C -0.187 175.839 176.094 -0.114 0.000 1.442 518 V CA 0.646 62.894 62.300 -0.086 0.000 1.053 518 V CB 0.562 32.360 31.823 -0.041 0.000 0.846 518 V HN 0.744 nan 8.190 nan 0.000 0.440 519 Q N 0.329 120.021 119.800 -0.180 0.000 2.587 519 Q HA 0.501 4.856 4.340 0.025 0.000 0.293 519 Q C -2.516 173.368 176.000 -0.194 0.000 1.083 519 Q CA -1.873 53.840 55.803 -0.149 0.000 0.792 519 Q CB 2.017 30.687 28.738 -0.113 0.000 1.484 519 Q HN 0.037 nan 8.270 nan 0.000 0.446 520 P HA 0.000 nan 4.420 nan 0.000 0.216 520 P CA 0.000 63.041 63.100 -0.098 0.000 0.800 520 P CB 0.000 31.655 31.700 -0.075 0.000 0.726