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 3o4h_1_C DATA FIRST_RESID 5 DATA SEQUENCE MPVEFSRIVR DVERLIAVEK YSLQGVVDGD KLLVVGFSEG SVNAYLYDGG DATA SEQUENCE ETVKLNREPI NSVLDPHYGV GRVILVRDVS KGAEQHALFK VNTSRPGEEQ DATA SEQUENCE RLEAVKPMRI LSGVDTGEAV VFTGATEDRV ALYALDGGGL RELARLPGFG DATA SEQUENCE FVSDIRGDLI AGLGFFGGGR VSLFTSNLSS GGLRVFDSGE GSFSSASISP DATA SEQUENCE GMKVTAGLET AREARLVTVD PRDGSVEDLE LPSKDFSSYR PTAITWLGYL DATA SEQUENCE PDGRLAVVAR REGRSAVFID GERVEAPQGN HGRVVLWRGK LVTSHTSLST DATA SEQUENCE PPRIVSLPSG EPLLEGGLPE DLRRSIAGSR LVWVESFDGS RVPTYVLESG DATA SEQUENCE RAPTPGPTVV LVHGGPFAED SDSWDTFAAS LAAAGFHVVM PNYRGSTGYG DATA SEQUENCE EEWRLKIIGD PCGGELEDVS AAARWARESG LASELYIMGY SYGGYMTLCA DATA SEQUENCE LTMKPGLFKA GVAGASVVDW EEMYELSDAA FRNFIEQLTG GSREIMRSRS DATA SEQUENCE PINHVDRIKE PLALIHPQNA SRTPLKPLLR LMGELLARGK TFEAHIIPDA DATA SEQUENCE GHAINTMEDA VKILLPAVFF LATQRER 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.271 176.300 -0.048 0.000 1.140 5 M CA 0.000 55.273 55.300 -0.046 0.000 0.988 5 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 6 P HA 0.455 nan 4.420 nan 0.000 0.276 6 P C -0.173 177.085 177.300 -0.071 0.000 1.243 6 P CA 0.269 63.351 63.100 -0.030 0.000 0.768 6 P CB 0.712 32.406 31.700 -0.010 0.000 0.856 7 V N 2.455 122.299 119.914 -0.116 0.000 2.655 7 V HA 0.130 4.251 4.120 0.001 0.000 0.300 7 V C 1.564 177.472 176.094 -0.310 0.000 1.044 7 V CA 0.541 62.639 62.300 -0.338 0.000 1.095 7 V CB -0.246 31.106 31.823 -0.785 0.000 0.952 7 V HN 0.693 nan 8.190 nan 0.000 0.485 8 E N 4.111 124.144 120.200 -0.278 0.000 2.122 8 E HA 0.277 4.627 4.350 0.001 0.000 0.288 8 E C 0.595 177.128 176.600 -0.112 0.000 1.260 8 E CA -0.392 55.932 56.400 -0.126 0.000 1.344 8 E CB -0.566 29.091 29.700 -0.073 0.000 1.337 8 E HN 0.618 nan 8.360 nan 0.000 0.484 9 F N 0.763 120.645 119.950 -0.113 0.000 2.095 9 F HA -0.214 4.314 4.527 0.001 0.000 0.298 9 F C 2.974 178.808 175.800 0.057 0.000 1.104 9 F CA 2.378 60.280 58.000 -0.164 0.000 1.232 9 F CB -0.183 38.605 39.000 -0.354 0.000 0.987 9 F HN 0.503 nan 8.300 nan 0.000 0.475 10 S N 0.190 116.004 115.700 0.191 0.000 2.383 10 S HA -0.195 4.276 4.470 0.001 0.000 0.227 10 S C 2.155 176.828 174.600 0.121 0.000 1.026 10 S CA 0.893 59.184 58.200 0.150 0.000 0.981 10 S CB -0.626 62.631 63.200 0.096 0.000 0.818 10 S HN 0.397 nan 8.310 nan 0.000 0.472 11 R N 1.118 121.671 120.500 0.089 0.000 2.066 11 R HA 0.036 4.377 4.340 0.001 0.000 0.232 11 R C 2.289 178.637 176.300 0.080 0.000 1.131 11 R CA 1.620 57.758 56.100 0.064 0.000 0.955 11 R CB -0.534 29.785 30.300 0.033 0.000 0.851 11 R HN 0.513 nan 8.270 nan 0.000 0.432 12 I N 0.662 121.298 120.570 0.110 0.000 2.194 12 I HA -0.298 3.872 4.170 0.001 0.000 0.246 12 I C 2.289 178.482 176.117 0.126 0.000 1.093 12 I CA 1.267 62.649 61.300 0.138 0.000 1.355 12 I CB -0.162 37.987 38.000 0.248 0.000 1.046 12 I HN 0.050 nan 8.210 nan 0.000 0.413 13 V N 0.487 120.510 119.914 0.183 0.000 2.427 13 V HA -0.251 3.869 4.120 0.001 0.000 0.248 13 V C 2.567 178.697 176.094 0.061 0.000 1.051 13 V CA 1.843 64.205 62.300 0.104 0.000 1.048 13 V CB -0.791 31.127 31.823 0.158 0.000 0.666 13 V HN 0.395 nan 8.190 nan 0.000 0.456 14 R N 0.193 120.737 120.500 0.073 0.000 2.081 14 R HA -0.177 4.164 4.340 0.001 0.000 0.235 14 R C 2.013 178.340 176.300 0.045 0.000 1.131 14 R CA 1.998 58.130 56.100 0.054 0.000 0.960 14 R CB -0.294 30.037 30.300 0.052 0.000 0.856 14 R HN 0.494 nan 8.270 nan 0.000 0.436 15 D N -0.351 120.077 120.400 0.046 0.000 2.084 15 D HA -0.130 4.511 4.640 0.001 0.000 0.196 15 D C 1.933 178.255 176.300 0.037 0.000 0.985 15 D CA 1.335 55.361 54.000 0.044 0.000 0.826 15 D CB -0.310 40.516 40.800 0.044 0.000 0.978 15 D HN 0.062 nan 8.370 nan 0.000 0.456 16 V N 1.351 121.272 119.914 0.012 0.000 2.332 16 V HA -0.234 3.887 4.120 0.001 0.000 0.248 16 V C 2.232 178.322 176.094 -0.006 0.000 1.055 16 V CA 1.710 63.996 62.300 -0.023 0.000 1.038 16 V CB -0.453 31.316 31.823 -0.091 0.000 0.651 16 V HN 0.239 nan 8.190 nan 0.000 0.450 17 E N -0.208 119.997 120.200 0.008 0.000 2.077 17 E HA -0.209 4.142 4.350 0.001 0.000 0.193 17 E C 2.457 179.083 176.600 0.044 0.000 0.989 17 E CA 1.120 57.535 56.400 0.024 0.000 0.800 17 E CB -0.194 29.526 29.700 0.033 0.000 0.746 17 E HN 0.545 nan 8.360 nan 0.000 0.452 18 R N 0.388 120.917 120.500 0.047 0.000 2.115 18 R HA -0.023 4.318 4.340 0.001 0.000 0.226 18 R C 2.433 178.773 176.300 0.066 0.000 1.100 18 R CA 0.669 56.802 56.100 0.054 0.000 0.980 18 R CB -0.145 30.185 30.300 0.049 0.000 0.875 18 R HN 0.164 nan 8.270 nan 0.000 0.445 19 L N 0.262 121.538 121.223 0.088 0.000 2.072 19 L HA -0.127 4.214 4.340 0.001 0.000 0.205 19 L C 2.257 179.204 176.870 0.128 0.000 1.079 19 L CA 1.123 56.060 54.840 0.161 0.000 0.752 19 L CB -0.270 41.897 42.059 0.181 0.000 0.906 19 L HN 0.155 nan 8.230 nan 0.000 0.436 20 I N -0.088 120.509 120.570 0.046 0.000 2.226 20 I HA -0.262 3.909 4.170 0.001 0.000 0.245 20 I C 2.693 178.756 176.117 -0.089 0.000 1.100 20 I CA 1.231 62.504 61.300 -0.045 0.000 1.374 20 I CB -0.376 37.606 38.000 -0.029 0.000 1.057 20 I HN 0.184 nan 8.210 nan 0.000 0.413 21 A N 0.144 123.000 122.820 0.059 0.000 2.014 21 A HA -0.012 4.309 4.320 0.001 0.000 0.218 21 A C 1.420 179.096 177.584 0.154 0.000 1.163 21 A CA 0.259 52.409 52.037 0.188 0.000 0.652 21 A CB -0.568 18.514 19.000 0.136 0.000 0.808 21 A HN 0.180 nan 8.150 nan 0.000 0.449 22 V N 1.719 121.648 119.914 0.025 0.000 2.694 22 V HA -0.008 4.112 4.120 0.001 0.000 0.306 22 V C 0.178 176.241 176.094 -0.051 0.000 1.054 22 V CA -0.258 62.019 62.300 -0.040 0.000 1.161 22 V CB 0.059 31.794 31.823 -0.147 0.000 0.916 22 V HN 0.649 nan 8.190 nan 0.000 0.490 23 E N 5.696 125.860 120.200 -0.060 0.000 2.452 23 E HA 0.198 4.549 4.350 0.001 0.000 0.261 23 E C -0.590 175.806 176.600 -0.341 0.000 0.987 23 E CA 0.311 56.614 56.400 -0.163 0.000 0.926 23 E CB 0.559 30.172 29.700 -0.146 0.000 0.934 23 E HN 0.600 nan 8.360 nan 0.000 0.452 24 K N 2.189 122.294 120.400 -0.493 0.000 2.469 24 K HA 0.469 4.790 4.320 0.001 0.000 0.254 24 K C -1.431 174.805 176.600 -0.607 0.000 0.939 24 K CA -0.716 55.313 56.287 -0.430 0.000 0.812 24 K CB 1.593 33.944 32.500 -0.248 0.000 1.301 24 K HN 0.367 nan 8.250 nan 0.000 0.433 25 Y N -0.052 120.211 120.300 -0.063 0.000 2.492 25 Y HA 0.348 4.898 4.550 0.001 0.000 0.346 25 Y C -0.269 175.592 175.900 -0.064 0.000 0.997 25 Y CA -0.865 57.201 58.100 -0.056 0.000 1.025 25 Y CB 2.560 40.955 38.460 -0.108 0.000 1.263 25 Y HN 0.618 nan 8.280 nan 0.000 0.454 26 S N 2.697 118.463 115.700 0.110 0.000 2.521 26 S HA 0.662 5.133 4.470 0.001 0.000 0.295 26 S C -1.614 172.982 174.600 -0.006 0.000 1.098 26 S CA -0.788 57.426 58.200 0.024 0.000 0.999 26 S CB 1.653 64.853 63.200 0.001 0.000 1.034 26 S HN 0.605 nan 8.310 nan 0.000 0.483 27 L N 3.018 124.199 121.223 -0.071 0.000 2.290 27 L HA 0.505 4.846 4.340 0.001 0.000 0.284 27 L C 0.776 177.567 176.870 -0.131 0.000 1.078 27 L CA 0.412 55.179 54.840 -0.121 0.000 0.815 27 L CB 0.795 42.754 42.059 -0.168 0.000 1.162 27 L HN 0.852 nan 8.230 nan 0.000 0.435 28 Q N 3.918 123.652 119.800 -0.110 0.000 2.391 28 Q HA 0.488 4.829 4.340 0.001 0.000 0.243 28 Q C 0.572 176.507 176.000 -0.109 0.000 0.874 28 Q CA 0.645 56.395 55.803 -0.089 0.000 0.950 28 Q CB 1.346 30.059 28.738 -0.043 0.000 1.103 28 Q HN 0.902 nan 8.270 nan 0.000 0.544 29 G N -0.304 108.405 108.800 -0.152 0.000 2.344 29 G HA2 0.302 4.263 3.960 0.001 0.000 0.282 29 G HA3 0.302 4.263 3.960 0.001 0.000 0.282 29 G C -1.816 172.936 174.900 -0.247 0.000 1.281 29 G CA -0.488 44.473 45.100 -0.233 0.000 0.877 29 G HN -0.099 nan 8.290 nan 0.000 0.494 30 V N 0.820 120.519 119.914 -0.358 0.000 2.525 30 V HA 0.711 4.832 4.120 0.001 0.000 0.299 30 V C 0.332 176.376 176.094 -0.084 0.000 1.034 30 V CA -0.312 61.885 62.300 -0.171 0.000 0.863 30 V CB 0.992 32.780 31.823 -0.058 0.000 0.999 30 V HN 1.521 nan 8.190 nan 0.000 0.423 31 V N -0.018 119.904 119.914 0.012 0.000 3.113 31 V HA 0.921 5.042 4.120 0.001 0.000 0.316 31 V C 0.228 176.373 176.094 0.084 0.000 1.125 31 V CA -0.268 62.058 62.300 0.044 0.000 1.026 31 V CB 1.641 33.480 31.823 0.027 0.000 1.080 31 V HN 0.850 nan 8.190 nan 0.000 0.444 32 D N 0.027 120.476 120.400 0.082 0.000 2.449 32 D HA 0.443 5.084 4.640 0.001 0.000 0.236 32 D C 1.389 177.743 176.300 0.090 0.000 1.149 32 D CA 0.590 54.645 54.000 0.091 0.000 0.878 32 D CB 0.265 41.110 40.800 0.075 0.000 1.198 32 D HN 2.634 nan 8.370 nan 0.000 0.446 33 G N 0.917 109.772 108.800 0.092 0.000 2.176 33 G HA2 -0.203 3.758 3.960 0.001 0.000 0.252 33 G HA3 -0.203 3.758 3.960 0.001 0.000 0.252 33 G C 0.457 175.432 174.900 0.125 0.000 1.024 33 G CA 0.650 45.803 45.100 0.088 0.000 0.755 33 G HN 1.286 nan 8.290 nan 0.000 0.507 34 D N -0.684 119.818 120.400 0.170 0.000 2.735 34 D HA -0.137 4.504 4.640 0.001 0.000 0.235 34 D C 0.311 176.866 176.300 0.424 0.000 1.175 34 D CA 1.603 55.771 54.000 0.280 0.000 0.683 34 D CB -0.188 40.720 40.800 0.179 0.000 1.008 34 D HN 0.588 nan 8.370 nan 0.000 0.416 35 K N 0.933 121.498 120.400 0.275 0.000 2.274 35 K HA 0.401 4.722 4.320 0.001 0.000 0.262 35 K C 0.692 177.327 176.600 0.057 0.000 0.961 35 K CA -0.749 55.656 56.287 0.197 0.000 0.833 35 K CB 1.720 34.284 32.500 0.107 0.000 1.102 35 K HN 0.185 nan 8.250 nan 0.000 0.436 36 L N 3.113 124.256 121.223 -0.134 0.000 2.453 36 L HA 0.090 4.430 4.340 0.001 0.000 0.272 36 L C 0.210 177.023 176.870 -0.096 0.000 1.182 36 L CA -0.535 54.151 54.840 -0.257 0.000 0.858 36 L CB 0.099 41.859 42.059 -0.499 0.000 1.120 36 L HN 0.314 nan 8.230 nan 0.000 0.474 37 L N 5.954 127.122 121.223 -0.092 0.000 2.265 37 L HA 0.526 4.867 4.340 0.001 0.000 0.289 37 L C -0.331 176.518 176.870 -0.035 0.000 1.033 37 L CA -0.215 54.604 54.840 -0.036 0.000 0.814 37 L CB 1.441 43.477 42.059 -0.039 0.000 1.203 37 L HN 0.349 nan 8.230 nan 0.000 0.423 38 V N 4.065 124.000 119.914 0.034 0.000 2.823 38 V HA 0.724 4.844 4.120 0.001 0.000 0.312 38 V C -0.865 175.323 176.094 0.156 0.000 1.072 38 V CA -0.676 61.666 62.300 0.070 0.000 0.937 38 V CB 2.042 33.902 31.823 0.061 0.000 1.013 38 V HN 0.424 nan 8.190 nan 0.000 0.430 39 V N 4.102 124.092 119.914 0.128 0.000 2.407 39 V HA 0.842 4.963 4.120 0.001 0.000 0.278 39 V C 0.868 177.082 176.094 0.199 0.000 1.037 39 V CA 0.630 63.009 62.300 0.132 0.000 0.900 39 V CB 1.136 32.992 31.823 0.055 0.000 0.983 39 V HN 1.317 nan 8.190 nan 0.000 0.459 40 G N 3.160 112.125 108.800 0.274 0.000 2.617 40 G HA2 0.577 4.538 3.960 0.001 0.000 0.306 40 G HA3 0.577 4.538 3.960 0.001 0.000 0.306 40 G C -1.456 173.509 174.900 0.109 0.000 1.360 40 G CA -0.583 44.606 45.100 0.147 0.000 0.983 40 G HN 0.507 nan 8.290 nan 0.000 0.496 41 F N 2.777 122.615 119.950 -0.186 0.000 2.413 41 F HA 0.647 5.175 4.527 0.001 0.000 0.359 41 F C 0.361 176.056 175.800 -0.175 0.000 1.122 41 F CA -0.050 57.871 58.000 -0.132 0.000 1.160 41 F CB 1.086 40.005 39.000 -0.135 0.000 1.146 41 F HN 0.444 nan 8.300 nan 0.000 0.514 42 S N 3.889 119.379 115.700 -0.351 0.000 2.537 42 S HA 0.481 4.951 4.470 0.001 0.000 0.271 42 S C -0.140 174.310 174.600 -0.249 0.000 1.148 42 S CA 0.189 58.264 58.200 -0.208 0.000 0.868 42 S CB 1.313 64.446 63.200 -0.111 0.000 1.115 42 S HN 1.229 nan 8.310 nan 0.000 0.461 43 E N 0.956 121.058 120.200 -0.163 0.000 2.440 43 E HA -0.118 4.232 4.350 0.001 0.000 0.246 43 E C 1.698 178.154 176.600 -0.240 0.000 1.165 43 E CA 1.795 58.113 56.400 -0.136 0.000 0.726 43 E CB -2.637 27.019 29.700 -0.074 0.000 1.271 43 E HN 2.634 nan 8.360 nan 0.000 0.397 44 G N -2.308 106.248 108.800 -0.406 0.000 2.148 44 G HA2 0.129 4.090 3.960 0.001 0.000 0.254 44 G HA3 0.129 4.090 3.960 0.001 0.000 0.254 44 G C 0.609 175.099 174.900 -0.683 0.000 0.981 44 G CA 1.570 46.416 45.100 -0.424 0.000 0.670 44 G HN 2.454 nan 8.290 nan 0.000 0.528 45 S N -2.269 112.845 115.700 -0.977 0.000 2.625 45 S HA 0.721 5.192 4.470 0.001 0.000 0.271 45 S C -0.679 173.583 174.600 -0.563 0.000 1.161 45 S CA -0.326 57.497 58.200 -0.628 0.000 0.820 45 S CB 2.403 65.443 63.200 -0.267 0.000 1.137 45 S HN 1.140 nan 8.310 nan 0.000 0.470 46 V N 3.030 122.832 119.914 -0.187 0.000 2.432 46 V HA 0.499 4.620 4.120 0.001 0.000 0.271 46 V C -0.254 175.785 176.094 -0.092 0.000 1.046 46 V CA -0.305 61.973 62.300 -0.036 0.000 0.945 46 V CB 0.227 32.097 31.823 0.078 0.000 0.992 46 V HN 0.840 nan 8.190 nan 0.000 0.471 47 N N 2.429 121.071 118.700 -0.096 0.000 2.697 47 N HA 0.794 5.535 4.740 0.001 0.000 0.272 47 N C -0.773 174.553 175.510 -0.306 0.000 1.381 47 N CA -0.530 52.365 53.050 -0.257 0.000 0.797 47 N CB 2.402 40.640 38.487 -0.415 0.000 1.523 47 N HN 0.663 nan 8.380 nan 0.000 0.518 48 A N 0.499 123.034 122.820 -0.474 0.000 2.342 48 A HA 0.756 5.077 4.320 0.001 0.000 0.323 48 A C -1.700 175.564 177.584 -0.534 0.000 1.125 48 A CA -0.398 51.444 52.037 -0.324 0.000 0.785 48 A CB 0.500 19.401 19.000 -0.165 0.000 1.221 48 A HN 0.590 nan 8.150 nan 0.000 0.463 49 Y N 0.852 121.162 120.300 0.017 0.000 2.512 49 Y HA 0.534 5.085 4.550 0.001 0.000 0.348 49 Y C -0.161 175.751 175.900 0.019 0.000 0.990 49 Y CA -0.734 57.382 58.100 0.027 0.000 1.033 49 Y CB 1.957 40.454 38.460 0.061 0.000 1.259 49 Y HN 0.544 nan 8.280 nan 0.000 0.461 50 L N 3.127 124.455 121.223 0.174 0.000 2.292 50 L HA 0.328 4.669 4.340 0.001 0.000 0.284 50 L C -1.048 175.904 176.870 0.136 0.000 1.065 50 L CA -0.702 54.205 54.840 0.112 0.000 0.806 50 L CB 0.753 42.852 42.059 0.066 0.000 1.175 50 L HN 0.608 nan 8.230 nan 0.000 0.431 51 Y N 3.055 123.326 120.300 -0.050 0.000 2.352 51 Y HA 0.557 5.107 4.550 0.001 0.000 0.339 51 Y C -0.903 174.968 175.900 -0.048 0.000 0.992 51 Y CA -0.448 57.592 58.100 -0.099 0.000 1.100 51 Y CB 1.515 39.831 38.460 -0.241 0.000 1.192 51 Y HN 0.567 nan 8.280 nan 0.000 0.458 52 D N 2.904 122.907 120.400 -0.661 0.000 2.706 52 D HA 0.371 5.012 4.640 0.001 0.000 0.227 52 D C -0.054 175.994 176.300 -0.421 0.000 1.233 52 D CA 0.378 54.168 54.000 -0.350 0.000 0.768 52 D CB 1.544 42.347 40.800 0.005 0.000 1.490 52 D HN 0.947 nan 8.370 nan 0.000 0.458 53 G N 1.534 110.213 108.800 -0.201 0.000 2.366 53 G HA2 0.162 4.123 3.960 0.001 0.000 0.299 53 G HA3 0.162 4.123 3.960 0.001 0.000 0.299 53 G C 1.097 175.889 174.900 -0.179 0.000 1.020 53 G CA 1.185 46.211 45.100 -0.124 0.000 1.026 53 G HN 1.687 nan 8.290 nan 0.000 0.512 54 G N -1.630 107.008 108.800 -0.270 0.000 2.168 54 G HA2 -0.196 3.765 3.960 0.001 0.000 0.257 54 G HA3 -0.196 3.765 3.960 0.001 0.000 0.257 54 G C 0.049 174.893 174.900 -0.095 0.000 0.997 54 G CA 1.187 46.242 45.100 -0.075 0.000 0.708 54 G HN 1.168 nan 8.290 nan 0.000 0.520 55 E N -0.585 119.443 120.200 -0.287 0.000 2.383 55 E HA 0.569 4.920 4.350 0.001 0.000 0.275 55 E C -0.191 176.331 176.600 -0.131 0.000 0.918 55 E CA -0.325 55.998 56.400 -0.129 0.000 0.764 55 E CB 1.816 31.460 29.700 -0.093 0.000 1.252 55 E HN 0.337 nan 8.360 nan 0.000 0.449 56 T N -1.763 112.791 114.554 -0.000 0.000 2.888 56 T HA 0.633 4.984 4.350 0.001 0.000 0.284 56 T C -0.356 174.407 174.700 0.104 0.000 1.017 56 T CA -0.699 61.441 62.100 0.066 0.000 1.022 56 T CB 1.269 70.135 68.868 -0.002 0.000 1.013 56 T HN 0.121 nan 8.240 nan 0.000 0.465 57 V N 2.417 122.428 119.914 0.163 0.000 2.487 57 V HA 0.465 4.586 4.120 0.001 0.000 0.298 57 V C 0.199 176.418 176.094 0.209 0.000 1.028 57 V CA -1.076 61.312 62.300 0.147 0.000 0.860 57 V CB 1.795 33.659 31.823 0.068 0.000 0.991 57 V HN 0.993 nan 8.190 nan 0.000 0.427 58 K N 3.331 123.829 120.400 0.163 0.000 2.339 58 K HA 0.363 4.684 4.320 0.001 0.000 0.286 58 K C 0.423 176.961 176.600 -0.103 0.000 1.050 58 K CA -0.224 56.030 56.287 -0.055 0.000 0.956 58 K CB 0.809 33.282 32.500 -0.046 0.000 0.990 58 K HN 0.612 nan 8.250 nan 0.000 0.475 59 L N 3.022 124.136 121.223 -0.182 0.000 2.253 59 L HA -0.022 4.318 4.340 0.001 0.000 0.205 59 L C 1.084 177.879 176.870 -0.125 0.000 1.078 59 L CA 0.113 54.885 54.840 -0.114 0.000 0.805 59 L CB -0.259 41.743 42.059 -0.095 0.000 0.963 59 L HN 0.719 nan 8.230 nan 0.000 0.459 60 N N -0.326 118.262 118.700 -0.187 0.000 2.447 60 N HA 0.191 4.932 4.740 0.001 0.000 0.271 60 N C 0.294 175.708 175.510 -0.159 0.000 1.226 60 N CA -0.492 52.454 53.050 -0.174 0.000 0.980 60 N CB 1.436 39.798 38.487 -0.208 0.000 1.206 60 N HN -0.003 nan 8.380 nan 0.000 0.558 61 R N -0.431 119.975 120.500 -0.157 0.000 1.921 61 R HA 0.172 4.513 4.340 0.001 0.000 0.190 61 R C 0.073 176.287 176.300 -0.144 0.000 1.595 61 R CA -0.086 55.935 56.100 -0.131 0.000 1.236 61 R CB -0.363 29.870 30.300 -0.111 0.000 1.010 61 R HN 0.617 nan 8.270 nan 0.000 0.482 62 E N 1.988 122.088 120.200 -0.166 0.000 2.392 62 E HA 0.164 4.515 4.350 0.001 0.000 0.259 62 E C -2.231 174.270 176.600 -0.165 0.000 1.108 62 E CA -1.805 54.502 56.400 -0.153 0.000 0.916 62 E CB 0.013 29.618 29.700 -0.159 0.000 0.989 62 E HN 0.023 nan 8.360 nan 0.000 0.432 63 P HA -0.001 nan 4.420 nan 0.000 0.267 63 P C -0.275 176.955 177.300 -0.117 0.000 1.201 63 P CA 0.515 63.543 63.100 -0.119 0.000 0.775 63 P CB 0.334 31.984 31.700 -0.084 0.000 0.854 64 I N -1.506 119.005 120.570 -0.098 0.000 3.264 64 I HA 0.516 4.687 4.170 0.001 0.000 0.309 64 I C 0.435 176.541 176.117 -0.018 0.000 1.099 64 I CA -0.819 60.436 61.300 -0.075 0.000 0.989 64 I CB 1.923 39.864 38.000 -0.097 0.000 1.250 64 I HN -0.024 nan 8.210 nan 0.000 0.478 65 N N 0.096 118.797 118.700 0.002 0.000 2.499 65 N HA 0.242 4.982 4.740 0.001 0.000 0.182 65 N C 0.152 175.662 175.510 0.000 0.000 1.034 65 N CA 0.471 53.534 53.050 0.021 0.000 0.882 65 N CB 0.679 39.191 38.487 0.041 0.000 1.125 65 N HN 0.699 nan 8.380 nan 0.000 0.436 66 S N -1.598 114.087 115.700 -0.024 0.000 2.694 66 S HA 0.622 5.093 4.470 0.001 0.000 0.273 66 S C -2.033 172.554 174.600 -0.021 0.000 1.180 66 S CA -0.514 57.676 58.200 -0.016 0.000 0.864 66 S CB 0.279 63.473 63.200 -0.010 0.000 1.198 66 S HN -0.012 nan 8.310 nan 0.000 0.499 67 V N 0.302 120.211 119.914 -0.008 0.000 3.040 67 V HA 0.715 4.835 4.120 0.001 0.000 0.312 67 V C -0.736 175.367 176.094 0.015 0.000 1.115 67 V CA -0.994 61.305 62.300 -0.003 0.000 0.998 67 V CB 1.253 33.073 31.823 -0.005 0.000 1.042 67 V HN 0.859 nan 8.190 nan 0.000 0.433 68 L N 1.416 122.652 121.223 0.021 0.000 2.452 68 L HA 0.387 4.728 4.340 0.001 0.000 0.267 68 L C -0.051 176.854 176.870 0.058 0.000 1.188 68 L CA -0.351 54.520 54.840 0.050 0.000 0.821 68 L CB 0.308 42.397 42.059 0.050 0.000 1.102 68 L HN 0.672 nan 8.230 nan 0.000 0.470 69 D N 3.009 123.462 120.400 0.090 0.000 2.371 69 D HA 0.156 4.797 4.640 0.001 0.000 0.256 69 D C -2.172 174.187 176.300 0.099 0.000 1.193 69 D CA -0.947 53.112 54.000 0.098 0.000 0.881 69 D CB 0.543 41.435 40.800 0.153 0.000 1.143 69 D HN 0.226 nan 8.370 nan 0.000 0.473 70 P HA 0.147 nan 4.420 nan 0.000 0.284 70 P C -0.206 177.201 177.300 0.179 0.000 1.253 70 P CA -0.343 62.807 63.100 0.084 0.000 0.800 70 P CB 1.019 32.737 31.700 0.030 0.000 0.961 71 H N 0.960 120.076 119.070 0.076 0.000 2.757 71 H HA 0.034 4.591 4.556 0.001 0.000 0.370 71 H C 0.062 175.465 175.328 0.125 0.000 1.172 71 H CA -0.174 55.954 56.048 0.133 0.000 1.426 71 H CB 0.245 30.091 29.762 0.140 0.000 1.438 71 H HN 0.390 nan 8.280 nan 0.000 0.612 72 Y N 0.197 120.585 120.300 0.147 0.000 2.632 72 Y HA -0.013 4.538 4.550 0.001 0.000 0.329 72 Y C 1.484 177.452 175.900 0.114 0.000 1.174 72 Y CA 1.405 59.572 58.100 0.112 0.000 1.469 72 Y CB 0.414 38.920 38.460 0.076 0.000 1.242 72 Y HN 1.005 nan 8.280 nan 0.000 0.540 73 G N 1.669 110.594 108.800 0.208 0.000 2.162 73 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 73 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 73 G C -0.030 174.947 174.900 0.127 0.000 0.976 73 G CA -0.001 45.199 45.100 0.167 0.000 0.655 73 G HN 1.010 nan 8.290 nan 0.000 0.533 74 V N -1.424 118.564 119.914 0.124 0.000 2.843 74 V HA 0.651 4.772 4.120 0.001 0.000 0.305 74 V C 1.427 177.564 176.094 0.071 0.000 1.065 74 V CA 0.668 63.027 62.300 0.098 0.000 1.116 74 V CB 1.474 33.354 31.823 0.094 0.000 0.968 74 V HN 1.125 nan 8.190 nan 0.000 0.487 75 G N 4.147 112.982 108.800 0.059 0.000 3.448 75 G HA2 0.422 4.382 3.960 0.001 0.000 0.261 75 G HA3 0.422 4.382 3.960 0.001 0.000 0.261 75 G C 0.433 175.355 174.900 0.037 0.000 1.173 75 G CA -0.115 45.013 45.100 0.048 0.000 0.835 75 G HN 1.121 nan 8.290 nan 0.000 0.534 76 R N -2.175 118.346 120.500 0.036 0.000 2.716 76 R HA 0.676 5.017 4.340 0.001 0.000 0.271 76 R C -2.256 174.059 176.300 0.025 0.000 1.028 76 R CA -0.712 55.405 56.100 0.028 0.000 0.883 76 R CB 1.335 31.651 30.300 0.026 0.000 1.250 76 R HN -0.125 nan 8.270 nan 0.000 0.465 77 V N 2.105 122.030 119.914 0.018 0.000 2.735 77 V HA 0.494 4.615 4.120 0.001 0.000 0.310 77 V C -0.555 175.548 176.094 0.016 0.000 1.061 77 V CA -0.999 61.309 62.300 0.013 0.000 0.913 77 V CB 2.143 33.968 31.823 0.002 0.000 1.005 77 V HN 0.580 nan 8.190 nan 0.000 0.428 78 I N 5.155 125.733 120.570 0.014 0.000 2.330 78 I HA 0.388 4.559 4.170 0.001 0.000 0.286 78 I C -0.081 176.046 176.117 0.018 0.000 1.025 78 I CA -0.280 61.029 61.300 0.014 0.000 1.197 78 I CB 1.175 39.170 38.000 -0.007 0.000 1.358 78 I HN 0.397 nan 8.210 nan 0.000 0.467 79 L N 6.278 127.531 121.223 0.049 0.000 2.397 79 L HA 0.386 4.727 4.340 0.001 0.000 0.271 79 L C 0.012 176.934 176.870 0.086 0.000 1.148 79 L CA -0.620 54.247 54.840 0.045 0.000 0.825 79 L CB 0.994 43.069 42.059 0.026 0.000 1.117 79 L HN 0.210 nan 8.230 nan 0.000 0.456 80 V N 3.955 123.886 119.914 0.029 0.000 2.347 80 V HA 0.459 4.580 4.120 0.001 0.000 0.280 80 V C 0.002 176.122 176.094 0.043 0.000 1.021 80 V CA -0.549 61.760 62.300 0.015 0.000 0.847 80 V CB 1.309 33.070 31.823 -0.103 0.000 0.990 80 V HN 0.717 nan 8.190 nan 0.000 0.444 81 R N 3.091 123.688 120.500 0.162 0.000 2.532 81 R HA 0.316 4.656 4.340 0.001 0.000 0.297 81 R C -0.835 175.623 176.300 0.263 0.000 0.984 81 R CA -0.671 55.511 56.100 0.136 0.000 0.884 81 R CB 1.498 31.768 30.300 -0.051 0.000 1.182 81 R HN 0.756 nan 8.270 nan 0.000 0.442 82 D N 4.149 124.711 120.400 0.271 0.000 2.412 82 D HA -0.004 4.637 4.640 0.001 0.000 0.257 82 D C 0.686 177.047 176.300 0.102 0.000 1.217 82 D CA 0.225 54.342 54.000 0.195 0.000 0.897 82 D CB 1.250 42.137 40.800 0.144 0.000 1.132 82 D HN 0.410 nan 8.370 nan 0.000 0.493 83 V N 1.708 121.671 119.914 0.082 0.000 3.177 83 V HA 0.201 4.322 4.120 0.001 0.000 0.342 83 V C 0.822 176.935 176.094 0.031 0.000 1.379 83 V CA 0.296 62.642 62.300 0.076 0.000 1.191 83 V CB -0.378 31.518 31.823 0.122 0.000 1.167 83 V HN 0.482 nan 8.190 nan 0.000 0.471 84 S N -0.984 114.720 115.700 0.007 0.000 2.941 84 S HA 0.346 4.817 4.470 0.001 0.000 0.251 84 S C 0.409 175.011 174.600 0.002 0.000 1.029 84 S CA -0.312 57.885 58.200 -0.005 0.000 1.062 84 S CB -0.261 62.921 63.200 -0.031 0.000 0.977 84 S HN 0.565 nan 8.310 nan 0.000 0.552 85 K N 0.852 121.260 120.400 0.013 0.000 3.035 85 K HA -0.190 4.130 4.320 0.001 0.000 0.262 85 K C 0.969 177.584 176.600 0.024 0.000 1.024 85 K CA 0.614 56.912 56.287 0.018 0.000 0.748 85 K CB -1.997 30.512 32.500 0.015 0.000 1.247 85 K HN 1.176 nan 8.250 nan 0.000 0.482 86 G N -1.808 107.007 108.800 0.026 0.000 2.201 86 G HA2 -0.254 3.707 3.960 0.001 0.000 0.212 86 G HA3 -0.254 3.707 3.960 0.001 0.000 0.212 86 G C 0.772 175.690 174.900 0.031 0.000 0.994 86 G CA 0.197 45.321 45.100 0.040 0.000 0.644 86 G HN 0.688 nan 8.290 nan 0.000 0.508 87 A N 0.480 123.301 122.820 0.002 0.000 2.209 87 A HA 0.475 4.795 4.320 0.001 0.000 0.212 87 A C 1.286 178.839 177.584 -0.052 0.000 1.158 87 A CA 1.835 53.864 52.037 -0.013 0.000 0.742 87 A CB -0.483 18.506 19.000 -0.018 0.000 0.790 87 A HN 1.324 nan 8.150 nan 0.000 0.472 88 E N -1.332 118.799 120.200 -0.115 0.000 2.513 88 E HA -0.155 4.196 4.350 0.001 0.000 0.257 88 E C -0.660 175.637 176.600 -0.505 0.000 1.098 88 E CA 0.621 56.821 56.400 -0.332 0.000 0.752 88 E CB -2.232 27.433 29.700 -0.058 0.000 1.324 88 E HN 0.591 nan 8.360 nan 0.000 0.403 89 Q N 0.092 119.693 119.800 -0.331 0.000 2.349 89 Q HA 0.315 4.655 4.340 0.001 0.000 0.254 89 Q C -0.443 175.398 176.000 -0.265 0.000 0.980 89 Q CA -0.067 55.588 55.803 -0.247 0.000 0.924 89 Q CB 0.575 29.256 28.738 -0.095 0.000 1.209 89 Q HN 0.294 nan 8.270 nan 0.000 0.445 90 H N -0.014 119.083 119.070 0.046 0.000 2.544 90 H HA 0.821 5.378 4.556 0.001 0.000 0.342 90 H C -0.117 175.221 175.328 0.017 0.000 1.185 90 H CA -0.459 55.619 56.048 0.051 0.000 1.264 90 H CB 1.517 31.309 29.762 0.049 0.000 1.607 90 H HN 0.768 nan 8.280 nan 0.000 0.550 91 A N 1.458 124.398 122.820 0.200 0.000 2.423 91 A HA 0.629 4.949 4.320 0.001 0.000 0.304 91 A C -1.151 176.440 177.584 0.011 0.000 1.104 91 A CA -0.807 51.236 52.037 0.011 0.000 0.757 91 A CB 1.012 19.958 19.000 -0.089 0.000 1.313 91 A HN 0.567 nan 8.150 nan 0.000 0.423 92 L N 0.546 121.617 121.223 -0.254 0.000 2.322 92 L HA 0.644 4.985 4.340 0.001 0.000 0.279 92 L C -1.410 175.246 176.870 -0.356 0.000 1.036 92 L CA -0.242 54.486 54.840 -0.186 0.000 0.807 92 L CB 1.191 43.076 42.059 -0.289 0.000 1.226 92 L HN 0.627 nan 8.230 nan 0.000 0.433 93 F N 0.377 120.280 119.950 -0.079 0.000 2.536 93 F HA 0.309 4.837 4.527 0.001 0.000 0.322 93 F C 0.063 175.831 175.800 -0.052 0.000 1.144 93 F CA -0.816 57.150 58.000 -0.058 0.000 0.924 93 F CB 2.014 40.985 39.000 -0.049 0.000 1.181 93 F HN 0.178 nan 8.300 nan 0.000 0.438 94 K N 2.825 123.280 120.400 0.092 0.000 2.234 94 K HA 0.757 5.078 4.320 0.001 0.000 0.282 94 K C -1.182 175.455 176.600 0.061 0.000 1.039 94 K CA -0.396 55.922 56.287 0.052 0.000 0.928 94 K CB 1.203 33.714 32.500 0.018 0.000 1.039 94 K HN 0.511 nan 8.250 nan 0.000 0.470 95 V N 4.944 124.881 119.914 0.039 0.000 2.444 95 V HA 0.315 4.436 4.120 0.001 0.000 0.294 95 V C 0.014 176.119 176.094 0.018 0.000 1.022 95 V CA -1.195 61.119 62.300 0.023 0.000 0.850 95 V CB 1.540 33.366 31.823 0.005 0.000 0.992 95 V HN 0.957 nan 8.190 nan 0.000 0.426 96 N N 3.056 121.767 118.700 0.018 0.000 2.468 96 N HA -0.010 4.731 4.740 0.001 0.000 0.265 96 N C 1.487 177.007 175.510 0.017 0.000 1.199 96 N CA 0.770 53.831 53.050 0.019 0.000 0.928 96 N CB 1.838 40.336 38.487 0.018 0.000 1.059 96 N HN 0.866 nan 8.380 nan 0.000 0.467 97 T N 0.196 114.762 114.554 0.021 0.000 2.929 97 T HA -0.090 4.261 4.350 0.001 0.000 0.271 97 T C 1.508 176.221 174.700 0.021 0.000 1.085 97 T CA 1.142 63.256 62.100 0.022 0.000 1.125 97 T CB -0.101 68.785 68.868 0.031 0.000 0.874 97 T HN 0.380 nan 8.240 nan 0.000 0.494 98 S N 0.349 116.061 115.700 0.021 0.000 2.527 98 S HA 0.113 4.583 4.470 0.001 0.000 0.222 98 S C 0.985 175.593 174.600 0.014 0.000 0.985 98 S CA -0.157 58.054 58.200 0.018 0.000 0.921 98 S CB 0.174 63.386 63.200 0.019 0.000 0.772 98 S HN 0.399 nan 8.310 nan 0.000 0.529 99 R N 1.969 122.476 120.500 0.012 0.000 2.681 99 R HA 0.317 4.658 4.340 0.001 0.000 0.277 99 R C -3.120 173.182 176.300 0.004 0.000 1.563 99 R CA -1.656 54.449 56.100 0.009 0.000 1.673 99 R CB 0.185 30.491 30.300 0.010 0.000 1.258 99 R HN 0.335 nan 8.270 nan 0.000 0.650 100 P HA 0.158 nan 4.420 nan 0.000 0.269 100 P C 0.908 178.199 177.300 -0.014 0.000 1.209 100 P CA 1.083 64.179 63.100 -0.007 0.000 0.776 100 P CB 0.989 32.688 31.700 -0.002 0.000 0.876 101 G N 1.452 110.234 108.800 -0.029 0.000 2.176 101 G HA2 -0.221 3.739 3.960 0.001 0.000 0.253 101 G HA3 -0.221 3.739 3.960 0.001 0.000 0.253 101 G C -0.170 174.715 174.900 -0.025 0.000 0.979 101 G CA -0.130 44.948 45.100 -0.037 0.000 0.641 101 G HN 0.622 nan 8.290 nan 0.000 0.530 102 E N 1.017 121.211 120.200 -0.010 0.000 2.109 102 E HA 0.474 4.824 4.350 0.001 0.000 0.278 102 E C -0.366 176.245 176.600 0.019 0.000 0.954 102 E CA -0.367 56.035 56.400 0.004 0.000 0.779 102 E CB 1.118 30.823 29.700 0.009 0.000 1.093 102 E HN 0.547 nan 8.360 nan 0.000 0.401 103 E N 1.905 122.127 120.200 0.037 0.000 2.179 103 E HA 0.371 4.722 4.350 0.001 0.000 0.275 103 E C -0.396 176.276 176.600 0.120 0.000 0.945 103 E CA -0.545 55.911 56.400 0.093 0.000 0.792 103 E CB 1.539 31.304 29.700 0.108 0.000 1.125 103 E HN 0.497 nan 8.360 nan 0.000 0.397 104 Q N 2.913 122.780 119.800 0.112 0.000 2.357 104 Q HA 0.283 4.624 4.340 0.001 0.000 0.266 104 Q C -0.359 175.650 176.000 0.015 0.000 1.021 104 Q CA -0.804 55.036 55.803 0.062 0.000 0.784 104 Q CB 1.142 29.893 28.738 0.021 0.000 1.243 104 Q HN 0.539 nan 8.270 nan 0.000 0.465 105 R N 2.066 122.528 120.500 -0.063 0.000 2.537 105 R HA 0.317 4.658 4.340 0.001 0.000 0.280 105 R C -0.535 175.582 176.300 -0.305 0.000 1.058 105 R CA -0.171 55.665 56.100 -0.440 0.000 1.057 105 R CB 0.235 30.233 30.300 -0.504 0.000 0.973 105 R HN 0.716 nan 8.270 nan 0.000 0.438 106 L N 4.625 125.632 121.223 -0.361 0.000 2.375 106 L HA 0.103 4.444 4.340 0.001 0.000 0.276 106 L C 1.056 177.796 176.870 -0.216 0.000 1.162 106 L CA -0.259 54.448 54.840 -0.223 0.000 0.991 106 L CB 1.119 43.059 42.059 -0.198 0.000 1.315 106 L HN 0.754 nan 8.230 nan 0.000 0.431 107 E N 0.990 121.094 120.200 -0.161 0.000 2.338 107 E HA -0.132 4.218 4.350 0.001 0.000 0.197 107 E C 2.027 178.571 176.600 -0.094 0.000 1.007 107 E CA 0.933 57.255 56.400 -0.130 0.000 0.849 107 E CB 0.135 29.780 29.700 -0.091 0.000 0.774 107 E HN 0.832 nan 8.360 nan 0.000 0.506 108 A N 0.478 123.253 122.820 -0.076 0.000 2.119 108 A HA 0.039 4.360 4.320 0.001 0.000 0.217 108 A C 1.397 178.951 177.584 -0.051 0.000 1.153 108 A CA 0.532 52.542 52.037 -0.045 0.000 0.692 108 A CB 0.079 19.068 19.000 -0.018 0.000 0.799 108 A HN 0.286 nan 8.150 nan 0.000 0.458 109 V N 1.309 121.170 119.914 -0.088 0.000 2.318 109 V HA 0.492 4.613 4.120 0.001 0.000 0.271 109 V C 0.691 176.712 176.094 -0.121 0.000 1.030 109 V CA -0.271 61.965 62.300 -0.106 0.000 0.844 109 V CB 0.202 31.923 31.823 -0.170 0.000 1.015 109 V HN 0.539 nan 8.190 nan 0.000 0.460 110 K N 6.303 126.648 120.400 -0.092 0.000 2.336 110 K HA 0.415 4.736 4.320 0.001 0.000 0.262 110 K C -2.418 174.142 176.600 -0.067 0.000 0.992 110 K CA -1.193 55.051 56.287 -0.072 0.000 0.927 110 K CB -0.663 31.809 32.500 -0.047 0.000 0.956 110 K HN 0.590 nan 8.250 nan 0.000 0.495 111 P HA 0.220 nan 4.420 nan 0.000 0.265 111 P C -0.298 176.993 177.300 -0.015 0.000 1.193 111 P CA 0.179 63.261 63.100 -0.029 0.000 0.765 111 P CB 0.327 32.015 31.700 -0.020 0.000 0.823 112 M N -0.267 119.338 119.600 0.009 0.000 2.833 112 M HA 0.454 4.935 4.480 0.001 0.000 0.270 112 M C -0.892 175.460 176.300 0.086 0.000 1.209 112 M CA -1.204 54.118 55.300 0.037 0.000 0.826 112 M CB 2.202 34.835 32.600 0.055 0.000 1.657 112 M HN -0.089 nan 8.290 nan 0.000 0.492 113 R N 2.031 122.594 120.500 0.105 0.000 2.351 113 R HA 0.333 4.674 4.340 0.001 0.000 0.321 113 R C -0.908 175.578 176.300 0.309 0.000 1.182 113 R CA -0.360 55.867 56.100 0.211 0.000 1.011 113 R CB 0.049 30.447 30.300 0.163 0.000 1.048 113 R HN 0.606 nan 8.270 nan 0.000 0.490 114 I N 7.019 127.867 120.570 0.463 0.000 2.517 114 I HA -0.076 4.094 4.170 0.001 0.000 0.285 114 I C 1.251 177.490 176.117 0.204 0.000 1.106 114 I CA 0.328 61.780 61.300 0.253 0.000 1.402 114 I CB 1.002 39.045 38.000 0.072 0.000 1.399 114 I HN 0.764 nan 8.210 nan 0.000 0.535 115 L N 5.017 126.369 121.223 0.214 0.000 2.408 115 L HA 0.082 4.423 4.340 0.001 0.000 0.215 115 L C 0.699 177.770 176.870 0.335 0.000 1.081 115 L CA 0.390 55.367 54.840 0.228 0.000 0.840 115 L CB -0.042 42.013 42.059 -0.007 0.000 1.002 115 L HN 0.824 nan 8.230 nan 0.000 0.468 116 S N -1.615 114.261 115.700 0.294 0.000 2.643 116 S HA 0.748 5.219 4.470 0.001 0.000 0.266 116 S C -0.697 174.080 174.600 0.296 0.000 1.130 116 S CA -0.217 58.180 58.200 0.327 0.000 0.817 116 S CB 1.660 65.129 63.200 0.449 0.000 1.107 116 S HN 0.146 nan 8.310 nan 0.000 0.471 117 G N -0.552 108.403 108.800 0.259 0.000 2.411 117 G HA2 0.543 4.504 3.960 0.001 0.000 0.295 117 G HA3 0.543 4.504 3.960 0.001 0.000 0.295 117 G C -2.118 172.897 174.900 0.192 0.000 1.542 117 G CA -0.194 45.062 45.100 0.259 0.000 0.814 117 G HN 1.374 nan 8.290 nan 0.000 0.557 118 V N 0.556 120.575 119.914 0.175 0.000 2.789 118 V HA 0.657 4.778 4.120 0.001 0.000 0.311 118 V C -1.279 174.851 176.094 0.060 0.000 1.073 118 V CA -0.664 61.707 62.300 0.119 0.000 0.921 118 V CB 2.165 34.061 31.823 0.121 0.000 1.009 118 V HN 0.858 nan 8.190 nan 0.000 0.426 119 D N 1.838 122.244 120.400 0.010 0.000 2.381 119 D HA 0.350 4.991 4.640 0.001 0.000 0.235 119 D C 1.004 177.203 176.300 -0.169 0.000 1.068 119 D CA 0.060 54.041 54.000 -0.032 0.000 0.832 119 D CB 2.145 42.952 40.800 0.012 0.000 1.101 119 D HN 0.680 nan 8.370 nan 0.000 0.515 120 T N 0.749 115.151 114.554 -0.253 0.000 3.113 120 T HA 0.280 4.630 4.350 0.001 0.000 0.256 120 T C 1.506 176.168 174.700 -0.063 0.000 1.131 120 T CA 0.671 62.537 62.100 -0.389 0.000 1.074 120 T CB 0.018 68.716 68.868 -0.285 0.000 0.944 120 T HN 0.679 nan 8.240 nan 0.000 0.516 121 G N 0.796 109.587 108.800 -0.016 0.000 2.234 121 G HA2 -0.245 3.716 3.960 0.001 0.000 0.235 121 G HA3 -0.245 3.716 3.960 0.001 0.000 0.235 121 G C 0.632 175.548 174.900 0.027 0.000 0.997 121 G CA 0.426 45.544 45.100 0.030 0.000 0.623 121 G HN 0.547 nan 8.290 nan 0.000 0.514 122 E N -0.346 119.864 120.200 0.016 0.000 2.500 122 E HA 0.565 4.916 4.350 0.001 0.000 0.217 122 E C 0.572 177.186 176.600 0.023 0.000 0.848 122 E CA 0.814 57.228 56.400 0.023 0.000 1.217 122 E CB 0.877 30.594 29.700 0.029 0.000 1.217 122 E HN 1.052 nan 8.360 nan 0.000 0.573 123 A N 0.992 123.821 122.820 0.015 0.000 2.459 123 A HA 0.515 4.836 4.320 0.001 0.000 0.296 123 A C -1.130 176.480 177.584 0.043 0.000 1.039 123 A CA -0.504 51.554 52.037 0.034 0.000 0.698 123 A CB 1.754 20.773 19.000 0.031 0.000 1.261 123 A HN -0.032 nan 8.150 nan 0.000 0.405 124 V N 2.851 122.822 119.914 0.095 0.000 2.350 124 V HA 0.437 4.558 4.120 0.001 0.000 0.276 124 V C -0.257 175.998 176.094 0.268 0.000 1.028 124 V CA -0.359 62.031 62.300 0.150 0.000 0.860 124 V CB 1.192 33.098 31.823 0.138 0.000 0.990 124 V HN 0.640 nan 8.190 nan 0.000 0.453 125 V N 7.144 127.203 119.914 0.241 0.000 2.417 125 V HA 0.685 4.806 4.120 0.001 0.000 0.291 125 V C -0.445 175.853 176.094 0.339 0.000 1.024 125 V CA -0.495 61.936 62.300 0.218 0.000 0.861 125 V CB 1.225 33.120 31.823 0.121 0.000 0.985 125 V HN 0.807 nan 8.190 nan 0.000 0.436 126 F N 1.570 121.616 119.950 0.160 0.000 2.645 126 F HA 0.865 5.393 4.527 0.001 0.000 0.310 126 F C -0.230 175.706 175.800 0.227 0.000 1.102 126 F CA -0.862 57.242 58.000 0.174 0.000 0.952 126 F CB 1.778 40.857 39.000 0.131 0.000 1.326 126 F HN 0.422 nan 8.300 nan 0.000 0.456 127 T N -0.717 114.029 114.554 0.321 0.000 2.855 127 T HA 0.874 5.225 4.350 0.001 0.000 0.281 127 T C -0.344 174.545 174.700 0.314 0.000 1.007 127 T CA -0.427 61.791 62.100 0.196 0.000 1.009 127 T CB 1.383 70.299 68.868 0.081 0.000 0.983 127 T HN 1.362 nan 8.240 nan 0.000 0.455 128 G N 0.089 109.072 108.800 0.304 0.000 2.696 128 G HA2 0.709 4.670 3.960 0.001 0.000 0.295 128 G HA3 0.709 4.670 3.960 0.001 0.000 0.295 128 G C -1.379 173.618 174.900 0.161 0.000 1.398 128 G CA -0.840 44.438 45.100 0.297 0.000 0.920 128 G HN 1.070 nan 8.290 nan 0.000 0.492 129 A N 0.736 123.599 122.820 0.071 0.000 2.318 129 A HA 0.910 5.231 4.320 0.001 0.000 0.324 129 A C 0.500 178.100 177.584 0.026 0.000 1.170 129 A CA 0.067 52.088 52.037 -0.026 0.000 0.810 129 A CB 1.174 20.073 19.000 -0.168 0.000 1.198 129 A HN 1.538 nan 8.150 nan 0.000 0.484 130 T N -1.498 113.067 114.554 0.019 0.000 2.804 130 T HA 0.700 5.051 4.350 0.001 0.000 0.272 130 T C 1.299 175.998 174.700 -0.002 0.000 0.986 130 T CA 0.423 62.537 62.100 0.023 0.000 0.999 130 T CB 0.656 69.550 68.868 0.043 0.000 1.307 130 T HN 0.873 nan 8.240 nan 0.000 0.586 131 E N 0.601 120.801 120.200 -0.000 0.000 2.118 131 E HA -0.169 4.181 4.350 0.001 0.000 0.195 131 E C 1.561 178.149 176.600 -0.020 0.000 0.992 131 E CA 1.952 58.347 56.400 -0.008 0.000 0.804 131 E CB -1.062 28.634 29.700 -0.007 0.000 0.741 131 E HN 0.899 nan 8.360 nan 0.000 0.458 132 D N -1.172 119.217 120.400 -0.019 0.000 2.417 132 D HA 0.053 4.694 4.640 0.001 0.000 0.207 132 D C 0.893 177.168 176.300 -0.043 0.000 1.075 132 D CA 0.404 54.387 54.000 -0.028 0.000 0.851 132 D CB 0.044 40.831 40.800 -0.021 0.000 0.976 132 D HN 0.560 nan 8.370 nan 0.000 0.505 133 R N -0.911 119.561 120.500 -0.047 0.000 2.692 133 R HA 0.583 4.924 4.340 0.001 0.000 0.269 133 R C -1.997 174.249 176.300 -0.091 0.000 1.030 133 R CA -0.919 55.137 56.100 -0.074 0.000 0.882 133 R CB 1.203 31.460 30.300 -0.073 0.000 1.250 133 R HN -0.169 nan 8.270 nan 0.000 0.465 134 V N 0.781 120.614 119.914 -0.136 0.000 2.483 134 V HA 0.854 4.975 4.120 0.001 0.000 0.295 134 V C -0.267 175.712 176.094 -0.193 0.000 1.035 134 V CA -0.339 61.869 62.300 -0.154 0.000 0.896 134 V CB 1.236 32.941 31.823 -0.197 0.000 0.986 134 V HN 0.982 nan 8.190 nan 0.000 0.447 135 A N 4.042 126.732 122.820 -0.218 0.000 2.539 135 A HA 0.859 5.179 4.320 0.001 0.000 0.296 135 A C -1.468 175.796 177.584 -0.532 0.000 1.073 135 A CA -0.640 51.114 52.037 -0.472 0.000 0.700 135 A CB 1.710 20.253 19.000 -0.763 0.000 1.296 135 A HN 0.833 nan 8.150 nan 0.000 0.405 136 L N 1.528 122.420 121.223 -0.551 0.000 2.275 136 L HA 0.711 5.052 4.340 0.001 0.000 0.288 136 L C -1.459 175.048 176.870 -0.606 0.000 1.046 136 L CA 0.052 54.647 54.840 -0.407 0.000 0.805 136 L CB 0.123 42.044 42.059 -0.230 0.000 1.193 136 L HN 0.607 nan 8.230 nan 0.000 0.426 137 Y N 3.476 123.484 120.300 -0.486 0.000 2.562 137 Y HA 0.811 5.362 4.550 0.001 0.000 0.343 137 Y C 0.079 175.705 175.900 -0.457 0.000 1.025 137 Y CA -0.725 57.019 58.100 -0.593 0.000 1.082 137 Y CB 2.091 39.853 38.460 -1.164 0.000 1.264 137 Y HN 0.696 nan 8.280 nan 0.000 0.478 138 A N 2.412 125.200 122.820 -0.054 0.000 2.356 138 A HA 0.747 5.068 4.320 0.001 0.000 0.310 138 A C -2.111 175.538 177.584 0.109 0.000 1.075 138 A CA -0.589 51.469 52.037 0.036 0.000 0.746 138 A CB 1.222 20.238 19.000 0.028 0.000 1.221 138 A HN 0.632 nan 8.150 nan 0.000 0.443 139 L N 2.307 123.634 121.223 0.174 0.000 2.365 139 L HA 0.896 5.237 4.340 0.001 0.000 0.273 139 L C -0.875 176.054 176.870 0.099 0.000 1.000 139 L CA -0.022 54.915 54.840 0.162 0.000 0.819 139 L CB 2.009 44.209 42.059 0.235 0.000 1.284 139 L HN 0.910 nan 8.230 nan 0.000 0.418 140 D N 1.932 122.372 120.400 0.067 0.000 2.615 140 D HA 0.406 5.047 4.640 0.001 0.000 0.267 140 D C 0.802 177.121 176.300 0.032 0.000 1.236 140 D CA -0.043 53.985 54.000 0.045 0.000 0.839 140 D CB 1.168 41.993 40.800 0.042 0.000 1.380 140 D HN 0.589 nan 8.370 nan 0.000 0.433 141 G N -0.415 108.399 108.800 0.024 0.000 2.516 141 G HA2 -0.067 3.894 3.960 0.001 0.000 0.221 141 G HA3 -0.067 3.894 3.960 0.001 0.000 0.221 141 G C 1.112 176.021 174.900 0.015 0.000 1.107 141 G CA 0.844 45.954 45.100 0.017 0.000 0.747 141 G HN 0.614 nan 8.290 nan 0.000 0.567 142 G N -0.910 107.901 108.800 0.019 0.000 2.662 142 G HA2 0.472 4.433 3.960 0.001 0.000 0.212 142 G HA3 0.472 4.433 3.960 0.001 0.000 0.212 142 G C 0.661 175.572 174.900 0.018 0.000 1.141 142 G CA 0.764 45.874 45.100 0.017 0.000 0.797 142 G HN 1.169 nan 8.290 nan 0.000 0.531 143 G N -1.157 107.658 108.800 0.025 0.000 2.369 143 G HA2 0.353 4.314 3.960 0.001 0.000 0.293 143 G HA3 0.353 4.314 3.960 0.001 0.000 0.293 143 G C -1.917 173.011 174.900 0.047 0.000 1.301 143 G CA -0.562 44.555 45.100 0.029 0.000 0.913 143 G HN 0.674 nan 8.290 nan 0.000 0.540 144 L N 0.350 121.605 121.223 0.054 0.000 2.289 144 L HA 0.862 5.203 4.340 0.001 0.000 0.285 144 L C 0.400 177.321 176.870 0.084 0.000 1.049 144 L CA -0.521 54.369 54.840 0.084 0.000 0.804 144 L CB 0.966 43.073 42.059 0.080 0.000 1.195 144 L HN 0.602 nan 8.230 nan 0.000 0.428 145 R N 3.513 124.068 120.500 0.092 0.000 2.562 145 R HA 0.343 4.684 4.340 0.001 0.000 0.298 145 R C -0.940 175.399 176.300 0.066 0.000 0.961 145 R CA -0.707 55.430 56.100 0.061 0.000 0.881 145 R CB 1.737 32.050 30.300 0.023 0.000 1.159 145 R HN 0.614 nan 8.270 nan 0.000 0.450 146 E N 3.411 123.616 120.200 0.007 0.000 2.052 146 E HA 0.026 4.377 4.350 0.001 0.000 0.283 146 E C 0.264 176.751 176.600 -0.189 0.000 1.071 146 E CA -0.171 56.117 56.400 -0.187 0.000 0.851 146 E CB 0.676 30.265 29.700 -0.186 0.000 1.066 146 E HN 0.459 nan 8.360 nan 0.000 0.396 147 L N 4.140 125.227 121.223 -0.225 0.000 2.109 147 L HA 0.136 4.477 4.340 0.001 0.000 0.207 147 L C 0.547 177.312 176.870 -0.174 0.000 1.086 147 L CA 1.297 56.046 54.840 -0.151 0.000 0.760 147 L CB 0.041 42.032 42.059 -0.113 0.000 0.910 147 L HN 0.590 nan 8.230 nan 0.000 0.437 148 A N -2.210 120.454 122.820 -0.261 0.000 2.590 148 A HA 0.597 4.918 4.320 0.001 0.000 0.296 148 A C -0.816 176.571 177.584 -0.329 0.000 1.050 148 A CA -0.757 51.127 52.037 -0.255 0.000 0.697 148 A CB 0.902 19.765 19.000 -0.228 0.000 1.277 148 A HN -0.193 nan 8.150 nan 0.000 0.411 149 R N 0.351 120.679 120.500 -0.286 0.000 2.404 149 R HA 0.722 5.063 4.340 0.001 0.000 0.291 149 R C -0.443 175.656 176.300 -0.336 0.000 1.025 149 R CA -0.502 55.423 56.100 -0.292 0.000 0.991 149 R CB 0.801 30.966 30.300 -0.225 0.000 1.053 149 R HN 0.588 nan 8.270 nan 0.000 0.479 150 L N 3.389 124.409 121.223 -0.337 0.000 2.322 150 L HA 0.453 4.793 4.340 0.001 0.000 0.281 150 L C -1.703 174.919 176.870 -0.414 0.000 1.014 150 L CA -2.328 52.258 54.840 -0.424 0.000 0.815 150 L CB 2.178 44.087 42.059 -0.250 0.000 1.247 150 L HN 0.491 nan 8.230 nan 0.000 0.421 151 P HA 0.191 nan 4.420 nan 0.000 0.237 151 P C 0.175 177.431 177.300 -0.073 0.000 1.723 151 P CA 0.212 63.052 63.100 -0.433 0.000 0.882 151 P CB 0.244 31.630 31.700 -0.524 0.000 1.810 152 G N -0.283 108.583 108.800 0.110 0.000 2.369 152 G HA2 0.066 4.027 3.960 0.001 0.000 0.293 152 G HA3 0.066 4.027 3.960 0.001 0.000 0.293 152 G C -1.383 173.709 174.900 0.321 0.000 1.301 152 G CA -1.097 44.205 45.100 0.338 0.000 0.913 152 G HN -0.057 nan 8.290 nan 0.000 0.540 153 F N 1.078 121.143 119.950 0.192 0.000 2.623 153 F HA 0.402 4.929 4.527 0.001 0.000 0.383 153 F C 1.427 177.291 175.800 0.106 0.000 1.077 153 F CA 2.106 60.112 58.000 0.010 0.000 1.268 153 F CB 0.919 39.894 39.000 -0.041 0.000 1.053 153 F HN 0.738 nan 8.300 nan 0.000 0.571 154 G N 3.115 111.883 108.800 -0.054 0.000 2.659 154 G HA2 0.699 4.660 3.960 0.001 0.000 0.296 154 G HA3 0.699 4.660 3.960 0.001 0.000 0.296 154 G C -2.068 172.634 174.900 -0.329 0.000 1.369 154 G CA -0.678 44.465 45.100 0.072 0.000 0.937 154 G HN 0.349 nan 8.290 nan 0.000 0.485 155 F N 0.367 120.613 119.950 0.494 0.000 2.557 155 F HA 0.412 4.940 4.527 0.001 0.000 0.316 155 F C 0.190 176.161 175.800 0.285 0.000 1.141 155 F CA -0.929 57.280 58.000 0.347 0.000 0.922 155 F CB 2.476 41.636 39.000 0.267 0.000 1.194 155 F HN 0.288 nan 8.300 nan 0.000 0.443 156 V N 2.726 122.878 119.914 0.397 0.000 2.521 156 V HA 0.112 4.233 4.120 0.001 0.000 0.286 156 V C 0.414 176.613 176.094 0.175 0.000 1.034 156 V CA 0.495 62.939 62.300 0.240 0.000 1.045 156 V CB 1.044 33.013 31.823 0.243 0.000 0.974 156 V HN 1.001 nan 8.190 nan 0.000 0.480 157 S N 2.283 118.014 115.700 0.053 0.000 2.506 157 S HA 0.154 4.624 4.470 0.001 0.000 0.230 157 S C 0.244 174.895 174.600 0.086 0.000 1.066 157 S CA 0.213 58.446 58.200 0.055 0.000 0.940 157 S CB 0.214 63.385 63.200 -0.048 0.000 0.818 157 S HN 0.923 nan 8.310 nan 0.000 0.518 158 D N -0.924 119.515 120.400 0.065 0.000 2.663 158 D HA 0.481 5.121 4.640 0.001 0.000 0.233 158 D C -1.873 174.501 176.300 0.124 0.000 1.240 158 D CA -0.414 53.656 54.000 0.117 0.000 0.774 158 D CB 1.212 42.054 40.800 0.071 0.000 1.443 158 D HN 0.012 nan 8.370 nan 0.000 0.441 159 I N 1.693 122.396 120.570 0.222 0.000 2.533 159 I HA 0.485 4.656 4.170 0.001 0.000 0.290 159 I C -0.579 175.693 176.117 0.257 0.000 1.056 159 I CA -0.822 60.601 61.300 0.204 0.000 1.057 159 I CB 2.303 40.403 38.000 0.166 0.000 1.240 159 I HN 0.162 nan 8.210 nan 0.000 0.423 160 R N 4.330 124.914 120.500 0.141 0.000 2.502 160 R HA 0.576 4.917 4.340 0.001 0.000 0.298 160 R C 0.318 176.665 176.300 0.078 0.000 1.018 160 R CA 0.340 56.502 56.100 0.103 0.000 0.899 160 R CB 1.672 31.977 30.300 0.009 0.000 1.181 160 R HN 0.930 nan 8.270 nan 0.000 0.444 161 G N 3.694 112.553 108.800 0.097 0.000 2.591 161 G HA2 -0.405 3.556 3.960 0.001 0.000 0.298 161 G HA3 -0.405 3.556 3.960 0.001 0.000 0.298 161 G C 0.410 175.348 174.900 0.064 0.000 1.195 161 G CA 0.659 45.798 45.100 0.066 0.000 0.989 161 G HN 0.664 nan 8.290 nan 0.000 0.551 162 D N -0.267 120.160 120.400 0.044 0.000 2.347 162 D HA 0.209 4.850 4.640 0.001 0.000 0.213 162 D C 1.102 177.430 176.300 0.047 0.000 0.985 162 D CA 0.181 54.206 54.000 0.042 0.000 0.879 162 D CB -0.001 40.818 40.800 0.032 0.000 0.919 162 D HN 0.351 nan 8.370 nan 0.000 0.526 163 L N 1.309 122.559 121.223 0.045 0.000 2.281 163 L HA 0.380 4.720 4.340 0.001 0.000 0.285 163 L C -0.672 176.232 176.870 0.056 0.000 1.074 163 L CA -0.122 54.745 54.840 0.044 0.000 0.817 163 L CB 0.646 42.717 42.059 0.020 0.000 1.168 163 L HN -0.113 nan 8.230 nan 0.000 0.434 164 I N 5.326 125.937 120.570 0.068 0.000 2.354 164 I HA 0.640 4.810 4.170 0.001 0.000 0.292 164 I C -0.018 176.120 176.117 0.034 0.000 0.989 164 I CA -0.430 60.915 61.300 0.076 0.000 1.188 164 I CB 1.622 39.694 38.000 0.120 0.000 1.342 164 I HN 0.764 nan 8.210 nan 0.000 0.457 165 A N 4.452 127.243 122.820 -0.049 0.000 2.365 165 A HA 0.963 5.284 4.320 0.001 0.000 0.318 165 A C -0.199 177.146 177.584 -0.398 0.000 1.091 165 A CA -0.413 51.504 52.037 -0.200 0.000 0.763 165 A CB 1.557 20.457 19.000 -0.168 0.000 1.248 165 A HN 0.842 nan 8.150 nan 0.000 0.442 166 G N -0.197 108.052 108.800 -0.918 0.000 2.721 166 G HA2 0.614 4.575 3.960 0.001 0.000 0.296 166 G HA3 0.614 4.575 3.960 0.001 0.000 0.296 166 G C -1.686 172.675 174.900 -0.898 0.000 1.383 166 G CA -0.672 43.753 45.100 -1.125 0.000 0.788 166 G HN 0.749 nan 8.290 nan 0.000 0.500 167 L N -0.117 120.933 121.223 -0.289 0.000 2.386 167 L HA 0.770 5.110 4.340 0.001 0.000 0.271 167 L C 0.194 177.221 176.870 0.262 0.000 0.993 167 L CA -0.845 53.999 54.840 0.006 0.000 0.819 167 L CB 2.559 44.650 42.059 0.053 0.000 1.294 167 L HN 0.785 nan 8.230 nan 0.000 0.414 168 G N 1.165 109.885 108.800 -0.133 0.000 2.643 168 G HA2 0.589 4.549 3.960 0.001 0.000 0.305 168 G HA3 0.589 4.549 3.960 0.001 0.000 0.305 168 G C -1.214 173.190 174.900 -0.826 0.000 1.387 168 G CA -0.328 44.299 45.100 -0.789 0.000 0.982 168 G HN 0.304 nan 8.290 nan 0.000 0.501 169 F N 2.837 122.658 119.950 -0.215 0.000 2.605 169 F HA 0.321 4.849 4.527 0.001 0.000 0.352 169 F C 0.783 176.762 175.800 0.298 0.000 1.236 169 F CA -0.647 57.423 58.000 0.116 0.000 1.267 169 F CB -0.059 39.149 39.000 0.347 0.000 1.632 169 F HN 0.495 nan 8.300 nan 0.000 0.639 170 F N 0.515 120.632 119.950 0.279 0.000 2.695 170 F HA 0.437 4.965 4.527 0.001 0.000 0.303 170 F C 1.212 177.111 175.800 0.165 0.000 1.091 170 F CA -0.351 57.767 58.000 0.198 0.000 1.300 170 F CB 0.536 39.615 39.000 0.131 0.000 1.071 170 F HN 0.371 nan 8.300 nan 0.000 0.578 171 G N -1.141 107.862 108.800 0.339 0.000 2.386 171 G HA2 0.356 4.317 3.960 0.001 0.000 0.302 171 G HA3 0.356 4.317 3.960 0.001 0.000 0.302 171 G C 0.204 175.215 174.900 0.186 0.000 1.629 171 G CA -0.239 45.004 45.100 0.238 0.000 0.917 171 G HN 0.303 nan 8.290 nan 0.000 0.676 172 G N -0.634 108.257 108.800 0.153 0.000 2.166 172 G HA2 0.260 4.221 3.960 0.001 0.000 0.260 172 G HA3 0.260 4.221 3.960 0.001 0.000 0.260 172 G C 2.056 177.042 174.900 0.143 0.000 0.986 172 G CA 1.463 46.632 45.100 0.115 0.000 0.683 172 G HN 2.909 nan 8.290 nan 0.000 0.527 173 G N -1.498 107.448 108.800 0.242 0.000 2.168 173 G HA2 -0.315 3.645 3.960 0.001 0.000 0.263 173 G HA3 -0.315 3.645 3.960 0.001 0.000 0.263 173 G C 0.488 175.453 174.900 0.107 0.000 0.977 173 G CA 1.184 46.484 45.100 0.333 0.000 0.659 173 G HN 1.018 nan 8.290 nan 0.000 0.533 174 R N -0.613 119.926 120.500 0.064 0.000 2.531 174 R HA 0.536 4.877 4.340 0.001 0.000 0.273 174 R C -0.020 176.163 176.300 -0.195 0.000 1.070 174 R CA -0.503 55.562 56.100 -0.059 0.000 1.112 174 R CB 1.495 31.790 30.300 -0.009 0.000 1.049 174 R HN 0.076 nan 8.270 nan 0.000 0.508 175 V N 2.053 121.781 119.914 -0.311 0.000 2.398 175 V HA 0.212 4.333 4.120 0.001 0.000 0.286 175 V C -0.076 175.965 176.094 -0.088 0.000 1.026 175 V CA -0.451 61.573 62.300 -0.460 0.000 0.868 175 V CB 1.621 33.085 31.823 -0.598 0.000 0.982 175 V HN 0.767 nan 8.190 nan 0.000 0.443 176 S N 4.369 120.013 115.700 -0.094 0.000 2.654 176 S HA 0.678 5.149 4.470 0.001 0.000 0.283 176 S C -0.404 174.241 174.600 0.074 0.000 1.180 176 S CA -0.467 57.817 58.200 0.140 0.000 1.021 176 S CB 1.684 64.974 63.200 0.151 0.000 1.018 176 S HN 0.564 nan 8.310 nan 0.000 0.532 177 L N 2.967 124.179 121.223 -0.018 0.000 2.357 177 L HA 0.712 5.053 4.340 0.001 0.000 0.273 177 L C -0.904 176.095 176.870 0.215 0.000 1.080 177 L CA -0.179 54.530 54.840 -0.218 0.000 0.803 177 L CB 0.341 41.917 42.059 -0.804 0.000 1.174 177 L HN 0.629 nan 8.230 nan 0.000 0.443 178 F N 0.856 120.889 119.950 0.138 0.000 2.599 178 F HA 0.881 5.409 4.527 0.001 0.000 0.311 178 F C -0.643 175.291 175.800 0.223 0.000 1.076 178 F CA -0.487 57.664 58.000 0.252 0.000 0.937 178 F CB 1.338 40.496 39.000 0.264 0.000 1.282 178 F HN 0.601 nan 8.300 nan 0.000 0.460 179 T N -0.629 114.245 114.554 0.533 0.000 2.916 179 T HA 0.788 5.139 4.350 0.001 0.000 0.292 179 T C -0.925 173.977 174.700 0.336 0.000 1.055 179 T CA -0.614 61.697 62.100 0.351 0.000 1.009 179 T CB 1.618 70.651 68.868 0.276 0.000 1.118 179 T HN 1.035 nan 8.240 nan 0.000 0.497 180 S N 0.194 116.038 115.700 0.239 0.000 2.776 180 S HA 0.608 5.079 4.470 0.001 0.000 0.292 180 S C -1.695 172.967 174.600 0.103 0.000 1.187 180 S CA -0.924 57.367 58.200 0.153 0.000 0.834 180 S CB 1.447 64.734 63.200 0.147 0.000 1.199 180 S HN 0.874 nan 8.310 nan 0.000 0.514 181 N N 0.879 119.619 118.700 0.065 0.000 2.295 181 N HA 0.398 5.139 4.740 0.001 0.000 0.293 181 N C 0.383 175.915 175.510 0.037 0.000 1.040 181 N CA -0.388 52.692 53.050 0.049 0.000 0.840 181 N CB 1.653 40.161 38.487 0.036 0.000 1.468 181 N HN 0.451 nan 8.380 nan 0.000 0.478 182 L N 2.244 123.491 121.223 0.040 0.000 2.083 182 L HA -0.193 4.148 4.340 0.001 0.000 0.209 182 L C 2.500 179.384 176.870 0.023 0.000 1.083 182 L CA 1.701 56.561 54.840 0.033 0.000 0.752 182 L CB -0.175 41.907 42.059 0.038 0.000 0.899 182 L HN 0.663 nan 8.230 nan 0.000 0.433 183 S N -2.132 113.581 115.700 0.022 0.000 2.357 183 S HA -0.111 4.359 4.470 0.001 0.000 0.221 183 S C 1.802 176.408 174.600 0.010 0.000 1.031 183 S CA 0.990 59.200 58.200 0.016 0.000 0.982 183 S CB -0.424 62.786 63.200 0.017 0.000 0.853 183 S HN 0.499 nan 8.310 nan 0.000 0.458 184 S N -0.022 115.684 115.700 0.009 0.000 2.578 184 S HA 0.575 5.046 4.470 0.001 0.000 0.228 184 S C 1.279 175.875 174.600 -0.007 0.000 1.022 184 S CA 0.265 58.466 58.200 0.001 0.000 0.967 184 S CB -0.326 62.876 63.200 0.003 0.000 0.914 184 S HN 1.370 nan 8.310 nan 0.000 0.515 185 G N 1.267 110.064 108.800 -0.005 0.000 2.552 185 G HA2 0.269 4.230 3.960 0.001 0.000 0.265 185 G HA3 0.269 4.230 3.960 0.001 0.000 0.265 185 G C 0.508 175.397 174.900 -0.018 0.000 1.234 185 G CA -0.171 44.917 45.100 -0.020 0.000 0.944 185 G HN 2.086 nan 8.290 nan 0.000 0.568 186 G N -2.580 106.194 108.800 -0.043 0.000 2.757 186 G HA2 0.420 4.381 3.960 0.001 0.000 0.638 186 G HA3 0.420 4.381 3.960 0.001 0.000 0.638 186 G C -0.806 174.069 174.900 -0.041 0.000 1.344 186 G CA 0.298 45.370 45.100 -0.046 0.000 0.855 186 G HN 2.296 nan 8.290 nan 0.000 0.537 187 L N -0.396 120.797 121.223 -0.050 0.000 2.543 187 L HA 0.843 5.183 4.340 0.001 0.000 0.265 187 L C -0.253 176.588 176.870 -0.048 0.000 0.945 187 L CA -0.582 54.231 54.840 -0.044 0.000 0.869 187 L CB 2.064 44.040 42.059 -0.138 0.000 1.294 187 L HN 1.010 nan 8.230 nan 0.000 0.405 188 R N 3.673 124.169 120.500 -0.006 0.000 2.534 188 R HA 0.866 5.207 4.340 0.001 0.000 0.301 188 R C -1.785 174.380 176.300 -0.226 0.000 0.961 188 R CA -0.581 55.416 56.100 -0.172 0.000 0.871 188 R CB 1.859 32.033 30.300 -0.210 0.000 1.170 188 R HN 0.490 nan 8.270 nan 0.000 0.446 189 V N 5.265 124.985 119.914 -0.325 0.000 2.513 189 V HA 0.526 4.647 4.120 0.001 0.000 0.299 189 V C -0.969 174.882 176.094 -0.405 0.000 1.035 189 V CA -0.582 61.645 62.300 -0.122 0.000 0.889 189 V CB 1.496 33.376 31.823 0.095 0.000 0.988 189 V HN 0.585 nan 8.190 nan 0.000 0.440 190 F N 2.158 122.167 119.950 0.099 0.000 2.460 190 F HA 0.509 5.037 4.527 0.001 0.000 0.341 190 F C 0.204 176.117 175.800 0.189 0.000 1.130 190 F CA -0.746 57.298 58.000 0.073 0.000 0.962 190 F CB 1.303 40.266 39.000 -0.061 0.000 1.171 190 F HN 0.395 nan 8.300 nan 0.000 0.436 191 D N 1.570 122.182 120.400 0.354 0.000 2.217 191 D HA 0.193 4.833 4.640 0.001 0.000 0.243 191 D C -0.629 175.852 176.300 0.302 0.000 1.054 191 D CA -0.202 53.998 54.000 0.332 0.000 0.838 191 D CB 2.421 43.338 40.800 0.195 0.000 1.162 191 D HN 0.416 nan 8.370 nan 0.000 0.472 192 S N 0.448 116.276 115.700 0.213 0.000 2.554 192 S HA 0.422 4.893 4.470 0.001 0.000 0.278 192 S C 1.166 175.763 174.600 -0.005 0.000 1.242 192 S CA -0.552 57.662 58.200 0.024 0.000 1.051 192 S CB 1.299 64.331 63.200 -0.280 0.000 0.986 192 S HN 0.510 nan 8.310 nan 0.000 0.502 193 G N 2.483 111.286 108.800 0.004 0.000 2.985 193 G HA2 0.093 4.054 3.960 0.001 0.000 0.209 193 G HA3 0.093 4.054 3.960 0.001 0.000 0.209 193 G C 0.926 175.809 174.900 -0.028 0.000 1.165 193 G CA -0.043 45.057 45.100 -0.001 0.000 0.776 193 G HN 0.783 nan 8.290 nan 0.000 0.541 194 E N -0.794 119.369 120.200 -0.062 0.000 2.340 194 E HA 0.335 4.686 4.350 0.001 0.000 0.194 194 E C 1.341 177.880 176.600 -0.102 0.000 0.996 194 E CA 0.396 56.751 56.400 -0.075 0.000 0.869 194 E CB 0.615 30.263 29.700 -0.086 0.000 0.835 194 E HN 0.392 nan 8.360 nan 0.000 0.493 195 G N -0.122 108.589 108.800 -0.148 0.000 2.452 195 G HA2 0.101 4.062 3.960 0.001 0.000 0.224 195 G HA3 0.101 4.062 3.960 0.001 0.000 0.224 195 G C -1.204 173.543 174.900 -0.255 0.000 1.208 195 G CA -0.642 44.355 45.100 -0.171 0.000 0.946 195 G HN -0.012 nan 8.290 nan 0.000 0.481 196 S N -0.434 115.099 115.700 -0.278 0.000 2.513 196 S HA 0.739 5.210 4.470 0.001 0.000 0.299 196 S C -0.902 173.487 174.600 -0.350 0.000 1.087 196 S CA -0.401 57.629 58.200 -0.282 0.000 1.012 196 S CB 1.081 64.154 63.200 -0.212 0.000 1.044 196 S HN 0.419 nan 8.310 nan 0.000 0.485 197 F N 1.565 121.442 119.950 -0.121 0.000 2.429 197 F HA 0.294 4.822 4.527 0.001 0.000 0.348 197 F C 1.694 177.415 175.800 -0.131 0.000 1.109 197 F CA 0.060 57.993 58.000 -0.112 0.000 1.232 197 F CB 1.183 40.121 39.000 -0.103 0.000 1.157 197 F HN 0.651 nan 8.300 nan 0.000 0.564 198 S N 0.353 116.105 115.700 0.087 0.000 2.665 198 S HA 0.259 4.730 4.470 0.001 0.000 0.240 198 S C 0.082 174.690 174.600 0.014 0.000 1.081 198 S CA 0.516 58.728 58.200 0.019 0.000 0.887 198 S CB -0.011 63.193 63.200 0.008 0.000 0.805 198 S HN 0.602 nan 8.310 nan 0.000 0.486 199 S N 0.005 115.703 115.700 -0.003 0.000 2.656 199 S HA 0.903 5.374 4.470 0.001 0.000 0.273 199 S C -1.109 173.428 174.600 -0.106 0.000 1.168 199 S CA -0.419 57.744 58.200 -0.062 0.000 0.817 199 S CB 1.388 64.516 63.200 -0.121 0.000 1.146 199 S HN 1.016 nan 8.310 nan 0.000 0.475 200 A N 0.272 122.996 122.820 -0.160 0.000 2.589 200 A HA 0.894 5.215 4.320 0.001 0.000 0.296 200 A C -0.926 176.558 177.584 -0.166 0.000 1.062 200 A CA -0.565 51.371 52.037 -0.168 0.000 0.686 200 A CB 1.604 20.493 19.000 -0.185 0.000 1.282 200 A HN 1.107 nan 8.150 nan 0.000 0.404 201 S N 0.633 116.259 115.700 -0.122 0.000 2.533 201 S HA 0.646 5.117 4.470 0.001 0.000 0.271 201 S C -1.258 173.391 174.600 0.082 0.000 1.143 201 S CA -0.468 57.719 58.200 -0.022 0.000 0.891 201 S CB 0.720 63.881 63.200 -0.066 0.000 1.105 201 S HN 0.663 nan 8.310 nan 0.000 0.468 202 I N 4.201 124.803 120.570 0.053 0.000 2.352 202 I HA 0.241 4.412 4.170 0.001 0.000 0.290 202 I C 0.945 176.938 176.117 -0.207 0.000 1.036 202 I CA -0.272 61.002 61.300 -0.043 0.000 1.336 202 I CB 1.407 39.377 38.000 -0.050 0.000 1.407 202 I HN 0.725 nan 8.210 nan 0.000 0.497 203 S N 6.646 122.109 115.700 -0.395 0.000 2.576 203 S HA 0.168 4.639 4.470 0.001 0.000 0.272 203 S C -1.714 172.580 174.600 -0.511 0.000 1.352 203 S CA -0.914 56.756 58.200 -0.883 0.000 1.021 203 S CB 0.563 63.427 63.200 -0.560 0.000 0.887 203 S HN 0.412 nan 8.310 nan 0.000 0.542 204 P HA -0.010 nan 4.420 nan 0.000 0.217 204 P C 1.416 178.604 177.300 -0.187 0.000 1.148 204 P CA 1.638 64.578 63.100 -0.266 0.000 0.828 204 P CB -0.458 31.107 31.700 -0.225 0.000 0.783 205 G N -1.360 107.325 108.800 -0.192 0.000 2.882 205 G HA2 -0.068 3.893 3.960 0.001 0.000 0.206 205 G HA3 -0.068 3.893 3.960 0.001 0.000 0.206 205 G C 0.577 175.411 174.900 -0.111 0.000 1.155 205 G CA 0.014 45.038 45.100 -0.127 0.000 0.800 205 G HN 0.048 nan 8.290 nan 0.000 0.524 206 M N -0.748 118.774 119.600 -0.130 0.000 2.653 206 M HA -0.121 4.360 4.480 0.001 0.000 0.203 206 M C -0.274 175.968 176.300 -0.097 0.000 0.502 206 M CA 0.864 56.105 55.300 -0.099 0.000 0.601 206 M CB -2.009 30.553 32.600 -0.063 0.000 2.228 206 M HN 0.172 nan 8.290 nan 0.000 0.711 207 K N 0.169 120.498 120.400 -0.118 0.000 2.106 207 K HA 0.749 5.070 4.320 0.001 0.000 0.246 207 K C 0.260 176.785 176.600 -0.125 0.000 0.987 207 K CA -0.630 55.588 56.287 -0.114 0.000 0.904 207 K CB 1.476 33.919 32.500 -0.095 0.000 1.071 207 K HN 0.059 nan 8.250 nan 0.000 0.453 208 V N 1.933 121.754 119.914 -0.155 0.000 2.328 208 V HA 0.159 4.279 4.120 0.001 0.000 0.278 208 V C -0.050 175.971 176.094 -0.121 0.000 1.021 208 V CA -0.655 61.548 62.300 -0.161 0.000 0.838 208 V CB 1.145 32.804 31.823 -0.274 0.000 0.999 208 V HN 0.641 nan 8.190 nan 0.000 0.447 209 T N 5.128 119.663 114.554 -0.032 0.000 2.794 209 T HA 0.639 4.990 4.350 0.001 0.000 0.296 209 T C 0.200 174.845 174.700 -0.092 0.000 0.949 209 T CA 0.005 62.087 62.100 -0.030 0.000 1.101 209 T CB 1.060 69.954 68.868 0.043 0.000 0.905 209 T HN 0.938 nan 8.240 nan 0.000 0.516 210 A N 2.609 125.389 122.820 -0.066 0.000 2.475 210 A HA 0.836 5.157 4.320 0.001 0.000 0.301 210 A C 0.243 177.849 177.584 0.036 0.000 1.059 210 A CA -0.837 51.190 52.037 -0.017 0.000 0.710 210 A CB 1.456 20.477 19.000 0.035 0.000 1.288 210 A HN 0.925 nan 8.150 nan 0.000 0.408 211 G N -0.154 108.664 108.800 0.030 0.000 2.390 211 G HA2 0.530 4.490 3.960 0.001 0.000 0.270 211 G HA3 0.530 4.490 3.960 0.001 0.000 0.270 211 G C -0.936 173.998 174.900 0.057 0.000 1.211 211 G CA -0.133 44.984 45.100 0.030 0.000 0.842 211 G HN 0.958 nan 8.290 nan 0.000 0.519 212 L N 1.388 122.598 121.223 -0.022 0.000 2.342 212 L HA 0.463 4.804 4.340 0.001 0.000 0.276 212 L C -0.185 176.609 176.870 -0.126 0.000 0.997 212 L CA -0.609 54.123 54.840 -0.179 0.000 0.838 212 L CB 1.604 43.525 42.059 -0.230 0.000 1.224 212 L HN 0.576 nan 8.230 nan 0.000 0.416 213 E N 3.411 123.524 120.200 -0.145 0.000 2.081 213 E HA 0.388 4.739 4.350 0.001 0.000 0.281 213 E C -0.127 176.408 176.600 -0.109 0.000 0.986 213 E CA -0.271 56.073 56.400 -0.093 0.000 0.796 213 E CB 0.961 30.617 29.700 -0.073 0.000 1.085 213 E HN 0.748 nan 8.360 nan 0.000 0.398 214 T N -0.643 113.864 114.554 -0.078 0.000 2.893 214 T HA 0.478 4.829 4.350 0.001 0.000 0.281 214 T C 1.465 176.146 174.700 -0.031 0.000 1.027 214 T CA -0.098 61.960 62.100 -0.069 0.000 0.953 214 T CB 1.040 69.868 68.868 -0.066 0.000 1.434 214 T HN 0.303 nan 8.240 nan 0.000 0.597 215 A N 0.636 123.446 122.820 -0.017 0.000 1.915 215 A HA -0.116 4.205 4.320 0.001 0.000 0.220 215 A C 2.271 179.876 177.584 0.034 0.000 1.198 215 A CA 1.883 53.928 52.037 0.014 0.000 0.647 215 A CB -0.712 18.296 19.000 0.012 0.000 0.825 215 A HN 0.821 nan 8.150 nan 0.000 0.456 216 R N -2.228 118.277 120.500 0.009 0.000 2.519 216 R HA 0.381 4.722 4.340 0.001 0.000 0.375 216 R C 0.132 176.420 176.300 -0.021 0.000 0.926 216 R CA 0.744 56.850 56.100 0.010 0.000 1.166 216 R CB 0.837 31.135 30.300 -0.003 0.000 1.626 216 R HN 0.550 nan 8.270 nan 0.000 0.529 217 E N 0.350 120.530 120.200 -0.034 0.000 2.454 217 E HA 0.833 5.183 4.350 0.001 0.000 0.279 217 E C -1.799 174.770 176.600 -0.050 0.000 1.029 217 E CA -0.392 55.972 56.400 -0.060 0.000 0.831 217 E CB 1.476 31.131 29.700 -0.074 0.000 1.405 217 E HN 0.145 nan 8.360 nan 0.000 0.463 218 A N 0.326 123.114 122.820 -0.053 0.000 2.454 218 A HA 0.984 5.304 4.320 0.001 0.000 0.302 218 A C -0.147 177.448 177.584 0.018 0.000 1.079 218 A CA -0.071 51.958 52.037 -0.014 0.000 0.731 218 A CB 1.205 20.218 19.000 0.021 0.000 1.299 218 A HN 1.268 nan 8.150 nan 0.000 0.413 219 R N 0.396 120.938 120.500 0.069 0.000 2.795 219 R HA 0.791 5.131 4.340 0.001 0.000 0.268 219 R C -1.938 174.439 176.300 0.129 0.000 1.041 219 R CA -0.906 55.287 56.100 0.154 0.000 0.927 219 R CB 0.897 31.241 30.300 0.073 0.000 1.235 219 R HN 0.472 nan 8.270 nan 0.000 0.463 220 L N 1.738 123.026 121.223 0.107 0.000 2.309 220 L HA 0.685 5.026 4.340 0.001 0.000 0.282 220 L C -0.218 176.646 176.870 -0.011 0.000 1.036 220 L CA -1.099 53.724 54.840 -0.030 0.000 0.806 220 L CB 1.877 43.811 42.059 -0.208 0.000 1.220 220 L HN 0.598 nan 8.230 nan 0.000 0.429 221 V N -0.805 119.109 119.914 -0.000 0.000 3.040 221 V HA 0.673 4.794 4.120 0.001 0.000 0.312 221 V C -0.367 175.728 176.094 0.001 0.000 1.115 221 V CA -0.467 61.845 62.300 0.020 0.000 0.998 221 V CB 2.062 33.928 31.823 0.071 0.000 1.042 221 V HN 0.658 nan 8.190 nan 0.000 0.433 222 T N 2.405 116.955 114.554 -0.008 0.000 2.770 222 T HA 0.656 5.007 4.350 0.001 0.000 0.283 222 T C -0.501 174.165 174.700 -0.057 0.000 0.988 222 T CA -0.284 61.795 62.100 -0.035 0.000 0.957 222 T CB 1.242 70.093 68.868 -0.029 0.000 0.930 222 T HN 0.744 nan 8.240 nan 0.000 0.443 223 V N 3.680 123.516 119.914 -0.129 0.000 2.384 223 V HA 0.336 4.457 4.120 0.001 0.000 0.287 223 V C -0.053 175.901 176.094 -0.233 0.000 1.020 223 V CA -0.974 61.197 62.300 -0.216 0.000 0.850 223 V CB 1.688 33.247 31.823 -0.441 0.000 0.987 223 V HN 0.790 nan 8.190 nan 0.000 0.436 224 D N 7.692 127.999 120.400 -0.155 0.000 2.316 224 D HA 0.260 4.900 4.640 0.001 0.000 0.245 224 D C -1.349 174.884 176.300 -0.111 0.000 1.171 224 D CA -2.084 51.851 54.000 -0.107 0.000 0.856 224 D CB 2.141 42.917 40.800 -0.041 0.000 1.090 224 D HN 0.252 nan 8.370 nan 0.000 0.476 225 P HA -0.034 nan 4.420 nan 0.000 0.233 225 P C 0.935 178.336 177.300 0.169 0.000 1.167 225 P CA 0.484 63.584 63.100 -0.001 0.000 0.770 225 P CB 0.547 32.237 31.700 -0.016 0.000 0.837 226 R N 0.590 121.140 120.500 0.084 0.000 2.119 226 R HA -0.043 4.297 4.340 0.001 0.000 0.222 226 R C 1.275 177.632 176.300 0.096 0.000 1.088 226 R CA 1.672 57.821 56.100 0.081 0.000 0.984 226 R CB -0.245 30.079 30.300 0.040 0.000 0.884 226 R HN 0.297 nan 8.270 nan 0.000 0.447 227 D N -2.462 118.001 120.400 0.104 0.000 2.520 227 D HA 0.104 4.745 4.640 0.001 0.000 0.223 227 D C 0.957 177.347 176.300 0.150 0.000 1.186 227 D CA 0.459 54.520 54.000 0.101 0.000 0.821 227 D CB 0.509 41.345 40.800 0.060 0.000 1.072 227 D HN 0.140 nan 8.370 nan 0.000 0.518 228 G N 0.944 109.889 108.800 0.241 0.000 2.168 228 G HA2 -0.303 3.658 3.960 0.001 0.000 0.263 228 G HA3 -0.303 3.658 3.960 0.001 0.000 0.263 228 G C 0.431 175.433 174.900 0.170 0.000 0.977 228 G CA 0.589 45.895 45.100 0.342 0.000 0.659 228 G HN 0.886 nan 8.290 nan 0.000 0.533 229 S N -1.116 114.637 115.700 0.088 0.000 2.572 229 S HA 0.595 5.066 4.470 0.001 0.000 0.279 229 S C 0.086 174.706 174.600 0.034 0.000 1.341 229 S CA -0.034 58.201 58.200 0.057 0.000 1.043 229 S CB 2.573 65.794 63.200 0.035 0.000 0.887 229 S HN 1.104 nan 8.310 nan 0.000 0.516 230 V N 3.091 123.033 119.914 0.046 0.000 2.588 230 V HA 0.628 4.749 4.120 0.001 0.000 0.304 230 V C -0.240 175.874 176.094 0.032 0.000 1.042 230 V CA -0.700 61.626 62.300 0.043 0.000 0.877 230 V CB 1.443 33.323 31.823 0.094 0.000 0.996 230 V HN 1.103 nan 8.190 nan 0.000 0.425 231 E N 1.650 121.861 120.200 0.019 0.000 2.393 231 E HA 0.558 4.909 4.350 0.001 0.000 0.273 231 E C -1.711 174.896 176.600 0.011 0.000 0.918 231 E CA -1.061 55.347 56.400 0.013 0.000 0.773 231 E CB 2.033 31.736 29.700 0.005 0.000 1.275 231 E HN 0.434 nan 8.360 nan 0.000 0.451 232 D N 1.187 121.592 120.400 0.009 0.000 2.424 232 D HA 0.120 4.761 4.640 0.001 0.000 0.244 232 D C -0.603 175.697 176.300 -0.000 0.000 1.134 232 D CA -0.163 53.842 54.000 0.008 0.000 0.881 232 D CB 0.738 41.544 40.800 0.010 0.000 1.191 232 D HN 0.279 nan 8.370 nan 0.000 0.445 233 L N 1.953 123.170 121.223 -0.010 0.000 2.281 233 L HA 0.371 4.711 4.340 0.001 0.000 0.285 233 L C 0.253 177.110 176.870 -0.021 0.000 1.074 233 L CA -0.233 54.592 54.840 -0.024 0.000 0.817 233 L CB 0.220 42.247 42.059 -0.054 0.000 1.168 233 L HN 0.431 nan 8.230 nan 0.000 0.434 234 E N 6.044 126.237 120.200 -0.013 0.000 2.197 234 E HA 0.576 4.927 4.350 0.001 0.000 0.281 234 E C -1.124 175.468 176.600 -0.013 0.000 0.995 234 E CA -0.469 55.928 56.400 -0.005 0.000 0.808 234 E CB 0.959 30.659 29.700 0.001 0.000 1.093 234 E HN 0.730 nan 8.360 nan 0.000 0.394 235 L N 3.009 124.226 121.223 -0.010 0.000 2.330 235 L HA 0.526 4.866 4.340 0.001 0.000 0.271 235 L C -1.386 175.487 176.870 0.006 0.000 1.013 235 L CA -2.138 52.692 54.840 -0.017 0.000 0.816 235 L CB 2.846 44.880 42.059 -0.042 0.000 1.287 235 L HN 0.529 nan 8.230 nan 0.000 0.435 236 P HA -0.008 nan 4.420 nan 0.000 0.245 236 P C 0.112 177.429 177.300 0.027 0.000 1.212 236 P CA 0.419 63.529 63.100 0.016 0.000 0.774 236 P CB 0.609 32.316 31.700 0.012 0.000 0.999 237 S N 0.019 115.742 115.700 0.039 0.000 2.526 237 S HA 0.418 4.888 4.470 0.001 0.000 0.293 237 S C 0.637 175.282 174.600 0.076 0.000 1.092 237 S CA -0.662 57.574 58.200 0.060 0.000 0.980 237 S CB 1.171 64.419 63.200 0.079 0.000 1.048 237 S HN -0.272 nan 8.310 nan 0.000 0.483 238 K N 2.471 122.918 120.400 0.077 0.000 2.387 238 K HA 0.160 4.481 4.320 0.001 0.000 0.198 238 K C 0.312 176.973 176.600 0.102 0.000 1.022 238 K CA 0.086 56.419 56.287 0.078 0.000 1.128 238 K CB -0.124 32.407 32.500 0.052 0.000 0.853 238 K HN 0.573 nan 8.250 nan 0.000 0.523 239 D N 0.829 121.322 120.400 0.155 0.000 2.117 239 D HA -0.176 4.465 4.640 0.001 0.000 0.197 239 D C 1.565 177.990 176.300 0.208 0.000 0.987 239 D CA 0.865 55.006 54.000 0.234 0.000 0.829 239 D CB -0.249 40.753 40.800 0.337 0.000 0.961 239 D HN 0.161 nan 8.370 nan 0.000 0.460 240 F N 2.060 121.913 119.950 -0.162 0.000 2.069 240 F HA -0.278 4.249 4.527 0.001 0.000 0.298 240 F C 2.525 178.149 175.800 -0.293 0.000 1.113 240 F CA 2.244 59.797 58.000 -0.745 0.000 1.214 240 F CB -0.412 38.118 39.000 -0.783 0.000 0.978 240 F HN -0.004 nan 8.300 nan 0.000 0.474 241 S N -0.329 115.311 115.700 -0.100 0.000 2.382 241 S HA -0.186 4.285 4.470 0.001 0.000 0.228 241 S C 2.016 176.529 174.600 -0.145 0.000 1.027 241 S CA 1.242 59.355 58.200 -0.146 0.000 0.991 241 S CB -1.248 61.954 63.200 0.005 0.000 0.823 241 S HN 0.498 nan 8.310 nan 0.000 0.469 242 S N 0.166 115.838 115.700 -0.047 0.000 2.489 242 S HA 0.014 4.485 4.470 0.001 0.000 0.228 242 S C 1.525 176.133 174.600 0.013 0.000 0.995 242 S CA 0.480 58.674 58.200 -0.011 0.000 0.934 242 S CB -0.879 62.343 63.200 0.036 0.000 0.771 242 S HN 0.631 nan 8.310 nan 0.000 0.522 243 Y N 3.348 123.570 120.300 -0.131 0.000 2.352 243 Y HA -0.039 4.512 4.550 0.001 0.000 0.292 243 Y C 0.947 176.759 175.900 -0.146 0.000 1.136 243 Y CA 1.019 59.074 58.100 -0.074 0.000 1.227 243 Y CB -0.474 37.991 38.460 0.008 0.000 0.991 243 Y HN 0.107 nan 8.280 nan 0.000 0.545 244 R N -0.101 120.227 120.500 -0.287 0.000 3.152 244 R HA -0.105 4.236 4.340 0.001 0.000 0.252 244 R C -2.731 173.321 176.300 -0.413 0.000 0.930 244 R CA 0.250 56.154 56.100 -0.327 0.000 0.642 244 R CB -3.242 26.916 30.300 -0.236 0.000 1.205 244 R HN 0.554 nan 8.270 nan 0.000 0.452 245 P HA 0.110 nan 4.420 nan 0.000 0.272 245 P C 0.984 178.187 177.300 -0.161 0.000 1.223 245 P CA 0.551 63.518 63.100 -0.222 0.000 0.784 245 P CB 0.938 32.615 31.700 -0.038 0.000 0.923 246 T N -1.713 112.770 114.554 -0.119 0.000 3.015 246 T HA 0.468 4.819 4.350 0.001 0.000 0.250 246 T C 0.617 175.285 174.700 -0.053 0.000 1.057 246 T CA 0.186 62.231 62.100 -0.092 0.000 1.066 246 T CB 0.045 68.845 68.868 -0.114 0.000 0.959 246 T HN 0.627 nan 8.240 nan 0.000 0.488 247 A N 0.580 123.388 122.820 -0.020 0.000 2.572 247 A HA 0.747 5.068 4.320 0.001 0.000 0.295 247 A C -1.343 176.293 177.584 0.087 0.000 1.072 247 A CA -0.978 51.066 52.037 0.013 0.000 0.691 247 A CB 1.201 20.189 19.000 -0.021 0.000 1.291 247 A HN 0.398 nan 8.150 nan 0.000 0.404 248 I N 1.998 122.622 120.570 0.090 0.000 2.330 248 I HA 0.245 4.416 4.170 0.001 0.000 0.289 248 I C 1.010 177.199 176.117 0.121 0.000 1.001 248 I CA -0.392 60.987 61.300 0.133 0.000 1.193 248 I CB 1.954 40.018 38.000 0.107 0.000 1.345 248 I HN 0.811 nan 8.210 nan 0.000 0.461 249 T N 4.533 119.190 114.554 0.171 0.000 2.809 249 T HA -0.076 4.275 4.350 0.001 0.000 0.260 249 T C -0.228 174.633 174.700 0.268 0.000 1.039 249 T CA 1.165 63.376 62.100 0.184 0.000 1.141 249 T CB 0.071 69.056 68.868 0.196 0.000 0.869 249 T HN 0.666 nan 8.240 nan 0.000 0.437 250 W N 0.859 122.186 121.300 0.045 0.000 3.275 250 W HA 0.470 5.130 4.660 0.001 0.000 0.306 250 W C -2.613 173.910 176.519 0.007 0.000 1.259 250 W CA -1.408 55.952 57.345 0.024 0.000 1.194 250 W CB 0.840 30.317 29.460 0.029 0.000 1.375 250 W HN 0.118 nan 8.180 nan 0.000 0.564 251 L N 2.651 123.202 121.223 -1.121 0.000 2.469 251 L HA 1.127 5.468 4.340 0.001 0.000 0.256 251 L C -0.542 175.206 176.870 -1.870 0.000 1.006 251 L CA -0.757 53.312 54.840 -1.285 0.000 0.832 251 L CB 1.751 43.430 42.059 -0.632 0.000 1.421 251 L HN 0.867 nan 8.230 nan 0.000 0.410 252 G N -0.271 107.695 108.800 -1.390 0.000 2.733 252 G HA2 0.468 4.429 3.960 0.001 0.000 0.297 252 G HA3 0.468 4.429 3.960 0.001 0.000 0.297 252 G C -2.162 172.507 174.900 -0.385 0.000 1.452 252 G CA -0.623 44.034 45.100 -0.739 0.000 0.940 252 G HN 0.561 nan 8.290 nan 0.000 0.547 253 Y N 1.180 121.412 120.300 -0.114 0.000 2.402 253 Y HA 0.394 4.944 4.550 0.001 0.000 0.333 253 Y C 1.321 177.216 175.900 -0.008 0.000 1.076 253 Y CA -0.130 57.930 58.100 -0.066 0.000 1.299 253 Y CB 0.904 39.312 38.460 -0.086 0.000 1.197 253 Y HN 0.292 nan 8.280 nan 0.000 0.517 254 L N 6.197 127.483 121.223 0.106 0.000 2.439 254 L HA 0.182 4.523 4.340 0.001 0.000 0.261 254 L C -1.328 175.475 176.870 -0.112 0.000 1.153 254 L CA -1.858 52.984 54.840 0.004 0.000 0.808 254 L CB 0.470 42.543 42.059 0.024 0.000 1.126 254 L HN 0.470 nan 8.230 nan 0.000 0.460 255 P HA -0.173 nan 4.420 nan 0.000 0.220 255 P C 0.438 177.647 177.300 -0.151 0.000 1.144 255 P CA 1.069 63.979 63.100 -0.316 0.000 0.800 255 P CB -0.033 31.369 31.700 -0.496 0.000 0.772 256 D N -2.411 117.927 120.400 -0.104 0.000 2.328 256 D HA 0.128 4.768 4.640 0.001 0.000 0.226 256 D C 1.436 177.724 176.300 -0.021 0.000 1.066 256 D CA 0.463 54.431 54.000 -0.053 0.000 0.861 256 D CB -0.823 39.955 40.800 -0.037 0.000 0.912 256 D HN 0.209 nan 8.370 nan 0.000 0.521 257 G N 0.094 108.895 108.800 0.001 0.000 2.217 257 G HA2 -0.322 3.639 3.960 0.001 0.000 0.246 257 G HA3 -0.322 3.639 3.960 0.001 0.000 0.246 257 G C 0.409 175.393 174.900 0.140 0.000 0.990 257 G CA -0.108 45.023 45.100 0.051 0.000 0.627 257 G HN 0.452 nan 8.290 nan 0.000 0.522 258 R N -0.305 120.244 120.500 0.081 0.000 2.641 258 R HA 0.504 4.845 4.340 0.001 0.000 0.269 258 R C -0.102 176.211 176.300 0.021 0.000 1.074 258 R CA -0.383 55.750 56.100 0.055 0.000 1.133 258 R CB 0.787 31.100 30.300 0.023 0.000 1.029 258 R HN 0.272 nan 8.270 nan 0.000 0.488 259 L N 1.992 123.157 121.223 -0.097 0.000 2.265 259 L HA 0.418 4.759 4.340 0.001 0.000 0.289 259 L C -0.723 176.007 176.870 -0.233 0.000 1.033 259 L CA -0.028 54.585 54.840 -0.378 0.000 0.814 259 L CB 1.302 43.021 42.059 -0.565 0.000 1.203 259 L HN 0.712 nan 8.230 nan 0.000 0.423 260 A N 5.240 127.949 122.820 -0.186 0.000 2.301 260 A HA 0.739 5.059 4.320 0.001 0.000 0.298 260 A C -0.905 176.628 177.584 -0.086 0.000 1.185 260 A CA -0.438 51.599 52.037 -0.001 0.000 0.830 260 A CB 0.792 19.943 19.000 0.252 0.000 1.112 260 A HN 0.569 nan 8.150 nan 0.000 0.508 261 V N 3.217 123.152 119.914 0.036 0.000 2.638 261 V HA 0.416 4.537 4.120 0.001 0.000 0.306 261 V C -0.568 175.698 176.094 0.286 0.000 1.052 261 V CA -0.539 61.785 62.300 0.040 0.000 0.885 261 V CB 1.876 33.599 31.823 -0.166 0.000 0.999 261 V HN 0.649 nan 8.190 nan 0.000 0.424 262 V N 3.885 124.005 119.914 0.342 0.000 2.384 262 V HA 0.898 5.018 4.120 0.001 0.000 0.287 262 V C 0.281 176.583 176.094 0.348 0.000 1.020 262 V CA -0.169 62.344 62.300 0.355 0.000 0.850 262 V CB 1.393 33.430 31.823 0.357 0.000 0.987 262 V HN 1.061 nan 8.190 nan 0.000 0.436 263 A N 5.948 129.013 122.820 0.409 0.000 2.479 263 A HA 1.066 5.386 4.320 0.001 0.000 0.296 263 A C -0.516 177.322 177.584 0.423 0.000 1.121 263 A CA -0.893 51.393 52.037 0.414 0.000 0.743 263 A CB 2.121 21.450 19.000 0.548 0.000 1.323 263 A HN 0.943 nan 8.150 nan 0.000 0.415 264 R N -0.172 120.547 120.500 0.365 0.000 2.734 264 R HA 0.832 5.173 4.340 0.001 0.000 0.271 264 R C -1.215 175.168 176.300 0.139 0.000 1.021 264 R CA -0.934 55.358 56.100 0.318 0.000 0.893 264 R CB 1.607 32.005 30.300 0.162 0.000 1.244 264 R HN 1.004 nan 8.270 nan 0.000 0.464 265 R N 0.075 120.616 120.500 0.069 0.000 2.643 265 R HA 0.341 4.682 4.340 0.001 0.000 0.269 265 R C -1.087 175.205 176.300 -0.013 0.000 1.037 265 R CA -0.907 55.138 56.100 -0.092 0.000 0.894 265 R CB 1.408 31.578 30.300 -0.217 0.000 1.238 265 R HN 0.844 nan 8.270 nan 0.000 0.459 266 E N 0.460 120.640 120.200 -0.033 0.000 2.539 266 E HA -0.252 4.099 4.350 0.001 0.000 0.253 266 E C 0.605 177.351 176.600 0.243 0.000 1.145 266 E CA 1.226 57.740 56.400 0.189 0.000 0.738 266 E CB -1.390 28.455 29.700 0.242 0.000 1.308 266 E HN 1.157 nan 8.360 nan 0.000 0.409 267 G N -0.342 108.531 108.800 0.121 0.000 2.143 267 G HA2 -0.372 3.589 3.960 0.001 0.000 0.248 267 G HA3 -0.372 3.589 3.960 0.001 0.000 0.248 267 G C 0.080 175.040 174.900 0.100 0.000 0.991 267 G CA 0.527 45.726 45.100 0.165 0.000 0.689 267 G HN 0.276 nan 8.290 nan 0.000 0.522 268 R N -0.131 120.447 120.500 0.129 0.000 2.673 268 R HA 0.639 4.980 4.340 0.001 0.000 0.281 268 R C 0.121 176.536 176.300 0.193 0.000 0.991 268 R CA -0.007 56.172 56.100 0.133 0.000 0.896 268 R CB 1.920 32.327 30.300 0.178 0.000 1.201 268 R HN 0.425 nan 8.270 nan 0.000 0.457 269 S N 0.809 116.618 115.700 0.182 0.000 2.718 269 S HA 0.893 5.363 4.470 0.001 0.000 0.300 269 S C -0.562 174.215 174.600 0.295 0.000 1.117 269 S CA -0.754 57.612 58.200 0.277 0.000 1.002 269 S CB 2.144 65.497 63.200 0.255 0.000 1.092 269 S HN 0.681 nan 8.310 nan 0.000 0.542 270 A N 0.581 123.477 122.820 0.127 0.000 2.475 270 A HA 0.746 5.067 4.320 0.001 0.000 0.301 270 A C -1.156 176.223 177.584 -0.340 0.000 1.059 270 A CA -0.787 51.083 52.037 -0.280 0.000 0.710 270 A CB 1.577 20.093 19.000 -0.806 0.000 1.288 270 A HN 0.930 nan 8.150 nan 0.000 0.408 271 V N 1.345 120.890 119.914 -0.614 0.000 2.459 271 V HA 0.656 4.777 4.120 0.001 0.000 0.295 271 V C -1.175 174.522 176.094 -0.661 0.000 1.029 271 V CA -0.199 61.861 62.300 -0.400 0.000 0.874 271 V CB 0.934 32.560 31.823 -0.328 0.000 0.985 271 V HN 0.684 nan 8.190 nan 0.000 0.438 272 F N 4.547 124.480 119.950 -0.028 0.000 2.556 272 F HA 0.658 5.186 4.527 0.001 0.000 0.314 272 F C -0.293 175.482 175.800 -0.041 0.000 1.106 272 F CA -0.801 57.186 58.000 -0.022 0.000 0.911 272 F CB 1.931 40.951 39.000 0.033 0.000 1.190 272 F HN 0.151 nan 8.300 nan 0.000 0.448 273 I N 2.799 123.437 120.570 0.114 0.000 2.418 273 I HA 0.224 4.395 4.170 0.001 0.000 0.287 273 I C -0.382 175.758 176.117 0.039 0.000 1.008 273 I CA -0.759 60.570 61.300 0.047 0.000 1.104 273 I CB 1.338 39.352 38.000 0.024 0.000 1.264 273 I HN 0.610 nan 8.210 nan 0.000 0.438 274 D N 5.597 125.992 120.400 -0.009 0.000 2.702 274 D HA -0.205 4.436 4.640 0.001 0.000 0.233 274 D C 1.350 177.654 176.300 0.007 0.000 1.164 274 D CA 1.683 55.670 54.000 -0.022 0.000 0.638 274 D CB -0.703 40.096 40.800 -0.001 0.000 1.041 274 D HN 1.151 nan 8.370 nan 0.000 0.422 275 G N -0.207 108.607 108.800 0.023 0.000 2.241 275 G HA2 -0.358 3.603 3.960 0.001 0.000 0.244 275 G HA3 -0.358 3.603 3.960 0.001 0.000 0.244 275 G C 0.158 175.214 174.900 0.260 0.000 0.998 275 G CA 0.393 45.547 45.100 0.090 0.000 0.621 275 G HN 0.588 nan 8.290 nan 0.000 0.519 276 E N 0.812 121.138 120.200 0.209 0.000 2.229 276 E HA 0.498 4.849 4.350 0.001 0.000 0.283 276 E C 0.603 177.305 176.600 0.171 0.000 1.030 276 E CA -0.856 55.652 56.400 0.179 0.000 0.836 276 E CB 0.423 30.170 29.700 0.079 0.000 1.068 276 E HN 0.360 nan 8.360 nan 0.000 0.401 277 R N 3.332 123.905 120.500 0.121 0.000 2.401 277 R HA 0.147 4.488 4.340 0.001 0.000 0.299 277 R C -1.006 175.170 176.300 -0.208 0.000 1.064 277 R CA -0.275 55.673 56.100 -0.253 0.000 1.000 277 R CB 0.602 30.733 30.300 -0.281 0.000 0.973 277 R HN 0.301 nan 8.270 nan 0.000 0.438 278 V N 4.462 124.200 119.914 -0.293 0.000 2.427 278 V HA 0.130 4.250 4.120 0.001 0.000 0.286 278 V C 0.204 176.156 176.094 -0.236 0.000 1.034 278 V CA -0.673 61.506 62.300 -0.201 0.000 0.893 278 V CB 1.457 33.185 31.823 -0.159 0.000 0.982 278 V HN 0.806 nan 8.190 nan 0.000 0.452 279 E N 2.795 122.898 120.200 -0.162 0.000 2.465 279 E HA 0.416 4.767 4.350 0.001 0.000 0.260 279 E C -0.203 176.288 176.600 -0.182 0.000 0.980 279 E CA 0.137 56.449 56.400 -0.146 0.000 0.927 279 E CB 0.618 30.263 29.700 -0.092 0.000 0.934 279 E HN 0.896 nan 8.360 nan 0.000 0.459 280 A N 5.022 127.723 122.820 -0.198 0.000 2.572 280 A HA 0.571 4.892 4.320 0.001 0.000 0.295 280 A C -2.670 174.855 177.584 -0.098 0.000 1.072 280 A CA -1.499 50.395 52.037 -0.238 0.000 0.691 280 A CB 1.272 19.915 19.000 -0.595 0.000 1.291 280 A HN 0.537 nan 8.150 nan 0.000 0.404 281 P HA 0.181 nan 4.420 nan 0.000 0.268 281 P C -0.429 176.895 177.300 0.039 0.000 1.205 281 P CA -0.095 62.884 63.100 -0.202 0.000 0.771 281 P CB 0.416 31.683 31.700 -0.722 0.000 0.858 282 Q N 1.434 121.286 119.800 0.087 0.000 2.286 282 Q HA 0.333 4.674 4.340 0.001 0.000 0.290 282 Q C 0.569 176.733 176.000 0.274 0.000 1.049 282 Q CA 1.126 57.034 55.803 0.175 0.000 0.923 282 Q CB -0.175 28.642 28.738 0.132 0.000 1.183 282 Q HN 0.780 nan 8.270 nan 0.000 0.383 283 G N 3.434 112.323 108.800 0.148 0.000 2.295 283 G HA2 -0.094 3.867 3.960 0.001 0.000 0.155 283 G HA3 -0.094 3.867 3.960 0.001 0.000 0.155 283 G C -1.362 173.416 174.900 -0.204 0.000 1.307 283 G CA -0.677 44.424 45.100 0.002 0.000 1.140 283 G HN 0.641 nan 8.290 nan 0.000 0.470 284 N N 0.214 118.686 118.700 -0.381 0.000 2.265 284 N HA 0.663 5.404 4.740 0.001 0.000 0.300 284 N C -1.418 173.734 175.510 -0.597 0.000 1.148 284 N CA -0.370 52.424 53.050 -0.427 0.000 0.772 284 N CB 1.831 40.197 38.487 -0.201 0.000 1.434 284 N HN 0.595 nan 8.380 nan 0.000 0.481 285 H N -1.113 117.984 119.070 0.045 0.000 2.797 285 H HA 0.608 5.165 4.556 0.001 0.000 0.372 285 H C 0.521 175.840 175.328 -0.014 0.000 1.168 285 H CA -0.788 55.276 56.048 0.028 0.000 1.163 285 H CB 1.841 31.625 29.762 0.037 0.000 1.778 285 H HN 0.622 nan 8.280 nan 0.000 0.551 286 G N -0.273 108.550 108.800 0.038 0.000 3.099 286 G HA2 0.228 4.189 3.960 0.001 0.000 0.151 286 G HA3 0.228 4.189 3.960 0.001 0.000 0.151 286 G C -0.526 174.194 174.900 -0.301 0.000 1.265 286 G CA -1.025 44.012 45.100 -0.105 0.000 0.981 286 G HN 0.708 nan 8.290 nan 0.000 0.601 287 R N -0.858 119.267 120.500 -0.625 0.000 2.734 287 R HA 0.352 4.692 4.340 0.001 0.000 0.266 287 R C -1.186 174.640 176.300 -0.791 0.000 1.044 287 R CA -0.145 55.141 56.100 -1.357 0.000 1.128 287 R CB 0.626 30.147 30.300 -1.297 0.000 1.010 287 R HN 0.120 nan 8.270 nan 0.000 0.461 288 V N 4.713 124.116 119.914 -0.852 0.000 2.417 288 V HA 0.387 4.508 4.120 0.001 0.000 0.291 288 V C 0.003 176.087 176.094 -0.016 0.000 1.024 288 V CA -0.649 61.533 62.300 -0.197 0.000 0.861 288 V CB 1.324 33.197 31.823 0.082 0.000 0.985 288 V HN 0.720 nan 8.190 nan 0.000 0.436 289 V N 3.615 123.557 119.914 0.047 0.000 2.960 289 V HA 0.766 4.887 4.120 0.001 0.000 0.315 289 V C -0.913 175.338 176.094 0.261 0.000 1.087 289 V CA -1.097 61.328 62.300 0.208 0.000 0.982 289 V CB 2.038 33.916 31.823 0.092 0.000 1.039 289 V HN 0.654 nan 8.190 nan 0.000 0.437 290 L N 4.090 125.544 121.223 0.385 0.000 2.257 290 L HA 0.666 5.007 4.340 0.001 0.000 0.290 290 L C -1.176 175.945 176.870 0.417 0.000 1.044 290 L CA -0.134 54.884 54.840 0.296 0.000 0.810 290 L CB 0.890 43.042 42.059 0.154 0.000 1.193 290 L HN 0.948 nan 8.230 nan 0.000 0.425 291 W N 7.028 128.400 121.300 0.119 0.000 2.587 291 W HA 0.497 5.158 4.660 0.001 0.000 0.324 291 W C 0.104 176.668 176.519 0.074 0.000 1.008 291 W CA -0.957 56.453 57.345 0.108 0.000 1.265 291 W CB 0.617 30.130 29.460 0.087 0.000 1.328 291 W HN 0.657 nan 8.180 nan 0.000 0.432 292 R N 4.511 124.862 120.500 -0.249 0.000 3.333 292 R HA -0.190 4.151 4.340 0.001 0.000 0.256 292 R C 1.205 177.404 176.300 -0.168 0.000 1.010 292 R CA 1.220 57.123 56.100 -0.329 0.000 0.680 292 R CB -1.643 28.251 30.300 -0.675 0.000 1.102 292 R HN 1.378 nan 8.270 nan 0.000 0.440 293 G N -0.492 108.275 108.800 -0.056 0.000 2.196 293 G HA2 -0.416 3.545 3.960 0.001 0.000 0.268 293 G HA3 -0.416 3.545 3.960 0.001 0.000 0.268 293 G C 0.066 174.968 174.900 0.003 0.000 0.975 293 G CA 1.270 46.356 45.100 -0.023 0.000 0.648 293 G HN 0.531 nan 8.290 nan 0.000 0.538 294 K N -0.195 120.221 120.400 0.028 0.000 2.221 294 K HA 0.804 5.125 4.320 0.001 0.000 0.243 294 K C 0.056 176.731 176.600 0.125 0.000 0.968 294 K CA -1.169 55.156 56.287 0.062 0.000 0.846 294 K CB 1.872 34.410 32.500 0.063 0.000 1.141 294 K HN 0.092 nan 8.250 nan 0.000 0.434 295 L N 1.827 123.104 121.223 0.089 0.000 2.305 295 L HA 0.386 4.727 4.340 0.001 0.000 0.281 295 L C -0.605 176.317 176.870 0.085 0.000 1.085 295 L CA -0.961 53.930 54.840 0.085 0.000 0.813 295 L CB 1.156 43.237 42.059 0.036 0.000 1.157 295 L HN 0.341 nan 8.230 nan 0.000 0.436 296 V N 2.226 122.187 119.914 0.079 0.000 2.709 296 V HA 0.577 4.698 4.120 0.001 0.000 0.308 296 V C -0.100 175.970 176.094 -0.039 0.000 1.062 296 V CA -0.368 61.946 62.300 0.023 0.000 0.901 296 V CB 2.222 34.060 31.823 0.025 0.000 1.003 296 V HN 0.864 nan 8.190 nan 0.000 0.425 297 T N 1.954 116.472 114.554 -0.059 0.000 2.804 297 T HA 0.629 4.980 4.350 0.001 0.000 0.290 297 T C -0.304 174.366 174.700 -0.049 0.000 1.099 297 T CA 0.020 62.077 62.100 -0.072 0.000 1.011 297 T CB 1.984 70.826 68.868 -0.044 0.000 1.291 297 T HN 0.951 nan 8.240 nan 0.000 0.523 298 S N 0.991 116.672 115.700 -0.033 0.000 2.617 298 S HA 0.572 5.043 4.470 0.001 0.000 0.283 298 S C -0.744 173.932 174.600 0.126 0.000 1.189 298 S CA -0.600 57.603 58.200 0.005 0.000 1.036 298 S CB 0.956 64.131 63.200 -0.042 0.000 1.014 298 S HN 0.858 nan 8.310 nan 0.000 0.522 299 H N 0.006 119.073 119.070 -0.005 0.000 2.771 299 H HA 0.566 5.123 4.556 0.001 0.000 0.361 299 H C -1.573 173.719 175.328 -0.060 0.000 1.108 299 H CA -0.302 55.739 56.048 -0.012 0.000 1.201 299 H CB 2.182 31.972 29.762 0.047 0.000 1.681 299 H HN 0.799 nan 8.280 nan 0.000 0.534 300 T N 2.298 116.340 114.554 -0.854 0.000 2.868 300 T HA 0.511 4.862 4.350 0.001 0.000 0.306 300 T C -1.331 173.005 174.700 -0.607 0.000 1.224 300 T CA -0.223 61.504 62.100 -0.622 0.000 1.012 300 T CB 1.341 70.065 68.868 -0.239 0.000 1.221 300 T HN 0.807 nan 8.240 nan 0.000 0.499 301 S N 2.403 117.933 115.700 -0.285 0.000 2.671 301 S HA 0.512 4.983 4.470 0.001 0.000 0.277 301 S C 0.913 175.554 174.600 0.068 0.000 1.165 301 S CA -0.930 57.212 58.200 -0.096 0.000 0.822 301 S CB 0.690 63.887 63.200 -0.006 0.000 1.150 301 S HN 0.621 nan 8.310 nan 0.000 0.479 302 L N 1.448 122.695 121.223 0.040 0.000 2.261 302 L HA -0.056 4.285 4.340 0.001 0.000 0.216 302 L C 2.370 179.377 176.870 0.229 0.000 1.114 302 L CA 1.654 56.529 54.840 0.058 0.000 0.777 302 L CB -0.419 41.641 42.059 0.001 0.000 0.910 302 L HN 0.926 nan 8.230 nan 0.000 0.440 303 S N -3.882 111.973 115.700 0.260 0.000 2.539 303 S HA 0.104 4.574 4.470 0.001 0.000 0.221 303 S C 0.647 175.400 174.600 0.255 0.000 0.987 303 S CA -0.407 57.981 58.200 0.314 0.000 0.929 303 S CB 0.372 63.682 63.200 0.183 0.000 0.832 303 S HN 0.143 nan 8.310 nan 0.000 0.492 304 T N 4.677 119.337 114.554 0.177 0.000 2.934 304 T HA 0.482 4.832 4.350 0.001 0.000 0.328 304 T C -3.051 171.494 174.700 -0.257 0.000 1.068 304 T CA -1.424 60.634 62.100 -0.070 0.000 1.018 304 T CB 1.607 70.462 68.868 -0.022 0.000 1.009 304 T HN 0.043 nan 8.240 nan 0.000 0.471 305 P HA 0.148 nan 4.420 nan 0.000 0.266 305 P C -2.572 174.480 177.300 -0.414 0.000 1.193 305 P CA -1.182 61.330 63.100 -0.980 0.000 0.770 305 P CB -0.380 30.628 31.700 -1.154 0.000 0.836 306 P HA 0.037 nan 4.420 nan 0.000 0.264 306 P C -0.198 177.079 177.300 -0.038 0.000 1.193 306 P CA 0.643 63.660 63.100 -0.139 0.000 0.763 306 P CB 0.303 31.951 31.700 -0.087 0.000 0.810 307 R N 2.518 123.017 120.500 -0.001 0.000 2.855 307 R HA 0.712 5.053 4.340 0.001 0.000 0.266 307 R C -1.143 175.149 176.300 -0.013 0.000 1.034 307 R CA -1.016 55.114 56.100 0.050 0.000 0.944 307 R CB 1.125 31.439 30.300 0.023 0.000 1.219 307 R HN 0.089 nan 8.270 nan 0.000 0.474 308 I N 2.463 122.950 120.570 -0.138 0.000 2.378 308 I HA 0.386 4.557 4.170 0.001 0.000 0.291 308 I C 0.122 176.133 176.117 -0.176 0.000 0.992 308 I CA -0.813 60.370 61.300 -0.196 0.000 1.154 308 I CB 1.297 39.072 38.000 -0.375 0.000 1.315 308 I HN 0.623 nan 8.210 nan 0.000 0.448 309 V N 2.813 122.666 119.914 -0.100 0.000 2.962 309 V HA 0.760 4.880 4.120 0.001 0.000 0.313 309 V C -0.103 175.956 176.094 -0.058 0.000 1.099 309 V CA -0.718 61.537 62.300 -0.075 0.000 0.971 309 V CB 1.859 33.657 31.823 -0.042 0.000 1.028 309 V HN 0.775 nan 8.190 nan 0.000 0.430 310 S N 3.473 119.153 115.700 -0.033 0.000 2.585 310 S HA 0.770 5.240 4.470 0.001 0.000 0.277 310 S C -0.579 174.008 174.600 -0.021 0.000 1.241 310 S CA -0.633 57.571 58.200 0.007 0.000 1.041 310 S CB 0.578 63.810 63.200 0.053 0.000 0.987 310 S HN 0.790 nan 8.310 nan 0.000 0.512 311 L N 4.535 125.747 121.223 -0.019 0.000 2.342 311 L HA 0.526 4.866 4.340 0.001 0.000 0.271 311 L C -1.526 175.326 176.870 -0.030 0.000 1.008 311 L CA -2.054 52.756 54.840 -0.049 0.000 0.818 311 L CB 2.111 44.121 42.059 -0.082 0.000 1.296 311 L HN 0.576 nan 8.230 nan 0.000 0.427 312 P HA -0.006 nan 4.420 nan 0.000 0.255 312 P C 1.154 178.420 177.300 -0.058 0.000 1.248 312 P CA 0.287 63.349 63.100 -0.063 0.000 0.807 312 P CB 0.483 32.149 31.700 -0.057 0.000 1.150 313 S N 0.106 115.782 115.700 -0.041 0.000 2.399 313 S HA -0.000 4.471 4.470 0.001 0.000 0.231 313 S C 1.935 176.504 174.600 -0.052 0.000 1.022 313 S CA 1.376 59.554 58.200 -0.037 0.000 0.983 313 S CB -1.707 61.480 63.200 -0.021 0.000 0.803 313 S HN 0.299 nan 8.310 nan 0.000 0.480 314 G N 0.849 109.610 108.800 -0.065 0.000 2.162 314 G HA2 -0.268 3.692 3.960 0.001 0.000 0.260 314 G HA3 -0.268 3.692 3.960 0.001 0.000 0.260 314 G C -0.232 174.625 174.900 -0.072 0.000 0.976 314 G CA 0.332 45.379 45.100 -0.089 0.000 0.655 314 G HN 0.663 nan 8.290 nan 0.000 0.533 315 E N 1.997 122.169 120.200 -0.046 0.000 2.344 315 E HA 0.322 4.673 4.350 0.001 0.000 0.270 315 E C -2.081 174.492 176.600 -0.045 0.000 1.021 315 E CA -1.446 54.933 56.400 -0.035 0.000 0.887 315 E CB 1.064 30.755 29.700 -0.015 0.000 0.997 315 E HN 0.248 nan 8.360 nan 0.000 0.429 316 P HA 0.026 nan 4.420 nan 0.000 0.280 316 P C 0.073 177.299 177.300 -0.124 0.000 1.244 316 P CA 0.093 63.138 63.100 -0.092 0.000 0.784 316 P CB 1.061 32.715 31.700 -0.078 0.000 0.913 317 L N 2.040 123.129 121.223 -0.224 0.000 2.168 317 L HA 0.191 4.532 4.340 0.001 0.000 0.203 317 L C 0.938 177.519 176.870 -0.481 0.000 1.078 317 L CA 0.929 55.558 54.840 -0.352 0.000 0.780 317 L CB -0.115 41.591 42.059 -0.589 0.000 0.939 317 L HN 0.296 nan 8.230 nan 0.000 0.451 318 L N 0.185 121.082 121.223 -0.544 0.000 2.436 318 L HA 0.406 4.747 4.340 0.001 0.000 0.268 318 L C -1.040 175.564 176.870 -0.444 0.000 0.974 318 L CA -0.370 54.072 54.840 -0.663 0.000 0.826 318 L CB 2.291 43.594 42.059 -1.259 0.000 1.291 318 L HN 0.093 nan 8.230 nan 0.000 0.406 319 E N 2.204 122.296 120.200 -0.180 0.000 2.378 319 E HA 0.525 4.875 4.350 0.001 0.000 0.283 319 E C -1.163 175.502 176.600 0.107 0.000 0.979 319 E CA -0.951 55.472 56.400 0.038 0.000 0.795 319 E CB 1.815 31.498 29.700 -0.027 0.000 1.221 319 E HN 0.532 nan 8.360 nan 0.000 0.428 320 G N 1.008 109.866 108.800 0.096 0.000 2.372 320 G HA2 0.540 4.501 3.960 0.001 0.000 0.283 320 G HA3 0.540 4.501 3.960 0.001 0.000 0.283 320 G C 0.009 174.872 174.900 -0.062 0.000 1.177 320 G CA -0.260 44.837 45.100 -0.004 0.000 0.842 320 G HN 0.552 nan 8.290 nan 0.000 0.503 321 G N 0.772 109.546 108.800 -0.044 0.000 2.356 321 G HA2 0.527 4.488 3.960 0.001 0.000 0.322 321 G HA3 0.527 4.488 3.960 0.001 0.000 0.322 321 G C -0.219 174.649 174.900 -0.053 0.000 1.125 321 G CA -0.662 44.409 45.100 -0.048 0.000 0.885 321 G HN 0.609 nan 8.290 nan 0.000 0.467 322 L N 3.367 124.555 121.223 -0.058 0.000 2.334 322 L HA 0.375 4.716 4.340 0.001 0.000 0.277 322 L C -1.562 175.309 176.870 0.001 0.000 1.075 322 L CA -1.803 53.019 54.840 -0.030 0.000 0.804 322 L CB 1.920 43.964 42.059 -0.026 0.000 1.174 322 L HN 0.362 nan 8.230 nan 0.000 0.438 323 P HA 0.018 nan 4.420 nan 0.000 0.272 323 P C 0.101 177.419 177.300 0.029 0.000 1.223 323 P CA -0.289 62.823 63.100 0.021 0.000 0.784 323 P CB 0.997 32.711 31.700 0.025 0.000 0.923 324 E N 1.745 121.961 120.200 0.026 0.000 2.130 324 E HA -0.262 4.089 4.350 0.001 0.000 0.196 324 E C 1.346 177.967 176.600 0.036 0.000 0.998 324 E CA 2.140 58.558 56.400 0.030 0.000 0.806 324 E CB -0.528 29.187 29.700 0.025 0.000 0.738 324 E HN 0.519 nan 8.360 nan 0.000 0.459 325 D N 0.395 120.816 120.400 0.034 0.000 2.097 325 D HA -0.227 4.413 4.640 0.001 0.000 0.195 325 D C 2.114 178.442 176.300 0.047 0.000 0.989 325 D CA 1.305 55.326 54.000 0.036 0.000 0.827 325 D CB -0.792 40.026 40.800 0.030 0.000 0.966 325 D HN 0.383 nan 8.370 nan 0.000 0.456 326 L N -0.279 120.978 121.223 0.056 0.000 2.093 326 L HA -0.030 4.311 4.340 0.001 0.000 0.208 326 L C 3.027 179.953 176.870 0.095 0.000 1.085 326 L CA 0.859 55.746 54.840 0.078 0.000 0.755 326 L CB -0.285 41.830 42.059 0.092 0.000 0.904 326 L HN -0.048 nan 8.230 nan 0.000 0.435 327 R N -0.110 120.439 120.500 0.081 0.000 2.096 327 R HA -0.136 4.204 4.340 0.001 0.000 0.235 327 R C 2.337 178.686 176.300 0.083 0.000 1.127 327 R CA 1.229 57.381 56.100 0.088 0.000 0.968 327 R CB -0.203 30.135 30.300 0.063 0.000 0.861 327 R HN 0.347 nan 8.270 nan 0.000 0.440 328 R N 0.199 120.738 120.500 0.066 0.000 2.235 328 R HA -0.043 4.298 4.340 0.001 0.000 0.213 328 R C 2.312 178.650 176.300 0.063 0.000 1.059 328 R CA 1.298 57.434 56.100 0.060 0.000 0.997 328 R CB -0.039 30.289 30.300 0.046 0.000 0.884 328 R HN 0.246 nan 8.270 nan 0.000 0.462 329 S N 0.471 116.211 115.700 0.067 0.000 2.447 329 S HA -0.022 4.449 4.470 0.001 0.000 0.233 329 S C 0.983 175.629 174.600 0.078 0.000 1.006 329 S CA 0.479 58.716 58.200 0.062 0.000 0.957 329 S CB -0.102 63.132 63.200 0.057 0.000 0.773 329 S HN 0.138 nan 8.310 nan 0.000 0.507 330 I N 2.034 122.661 120.570 0.095 0.000 2.291 330 I HA 0.331 4.502 4.170 0.001 0.000 0.292 330 I C 1.280 177.459 176.117 0.103 0.000 1.064 330 I CA -0.376 60.988 61.300 0.106 0.000 1.269 330 I CB 1.162 39.234 38.000 0.119 0.000 1.418 330 I HN 0.241 nan 8.210 nan 0.000 0.485 331 A N 5.140 128.026 122.820 0.109 0.000 2.016 331 A HA 0.466 4.786 4.320 0.001 0.000 0.217 331 A C 1.106 178.748 177.584 0.096 0.000 1.162 331 A CA 1.017 53.113 52.037 0.099 0.000 0.662 331 A CB -0.063 19.002 19.000 0.108 0.000 0.812 331 A HN 0.829 nan 8.150 nan 0.000 0.450 332 G N -2.252 106.613 108.800 0.108 0.000 2.313 332 G HA2 0.507 4.468 3.960 0.001 0.000 0.296 332 G HA3 0.507 4.468 3.960 0.001 0.000 0.296 332 G C -0.862 174.110 174.900 0.120 0.000 1.356 332 G CA 0.121 45.284 45.100 0.105 0.000 0.833 332 G HN 1.213 nan 8.290 nan 0.000 0.552 333 S N -1.069 114.707 115.700 0.126 0.000 2.556 333 S HA 0.934 5.405 4.470 0.001 0.000 0.271 333 S C -0.726 173.957 174.600 0.138 0.000 1.135 333 S CA -0.876 57.417 58.200 0.155 0.000 0.858 333 S CB 2.492 65.805 63.200 0.188 0.000 1.114 333 S HN 1.277 nan 8.310 nan 0.000 0.468 334 R N 0.201 120.766 120.500 0.108 0.000 2.710 334 R HA 0.672 5.013 4.340 0.001 0.000 0.270 334 R C -2.033 174.111 176.300 -0.261 0.000 1.021 334 R CA -1.040 55.054 56.100 -0.010 0.000 0.889 334 R CB 0.990 31.293 30.300 0.006 0.000 1.243 334 R HN 0.528 nan 8.270 nan 0.000 0.464 335 L N 2.285 123.240 121.223 -0.447 0.000 2.275 335 L HA 0.576 4.916 4.340 0.001 0.000 0.288 335 L C -0.530 176.045 176.870 -0.492 0.000 1.046 335 L CA -0.426 53.951 54.840 -0.773 0.000 0.805 335 L CB 1.726 43.296 42.059 -0.814 0.000 1.193 335 L HN 0.613 nan 8.230 nan 0.000 0.426 336 V N 1.656 121.206 119.914 -0.607 0.000 3.046 336 V HA 0.679 4.800 4.120 0.001 0.000 0.316 336 V C -1.423 174.253 176.094 -0.695 0.000 1.104 336 V CA -0.806 61.189 62.300 -0.509 0.000 1.006 336 V CB 1.846 33.292 31.823 -0.628 0.000 1.058 336 V HN 0.826 nan 8.190 nan 0.000 0.440 337 W N 1.505 122.577 121.300 -0.380 0.000 2.413 337 W HA 0.696 5.357 4.660 0.001 0.000 0.308 337 W C -0.580 175.748 176.519 -0.318 0.000 0.997 337 W CA -0.594 56.557 57.345 -0.324 0.000 1.447 337 W CB 1.773 31.090 29.460 -0.238 0.000 1.263 337 W HN 0.519 nan 8.180 nan 0.000 0.416 338 V N 2.751 122.543 119.914 -0.203 0.000 2.488 338 V HA 0.064 4.184 4.120 0.001 0.000 0.277 338 V C 0.550 176.651 176.094 0.012 0.000 1.046 338 V CA -0.762 61.440 62.300 -0.162 0.000 0.986 338 V CB 1.172 32.874 31.823 -0.202 0.000 0.989 338 V HN 0.425 nan 8.190 nan 0.000 0.475 339 E N 3.353 123.590 120.200 0.062 0.000 2.299 339 E HA 0.214 4.565 4.350 0.001 0.000 0.272 339 E C 0.072 176.743 176.600 0.117 0.000 1.043 339 E CA -0.027 56.420 56.400 0.078 0.000 0.895 339 E CB 0.753 30.499 29.700 0.076 0.000 1.011 339 E HN 0.733 nan 8.360 nan 0.000 0.432 340 S N 2.878 118.657 115.700 0.132 0.000 2.719 340 S HA 0.195 4.666 4.470 0.001 0.000 0.285 340 S C 0.872 175.580 174.600 0.180 0.000 1.137 340 S CA -0.554 57.776 58.200 0.216 0.000 1.012 340 S CB 0.272 63.663 63.200 0.319 0.000 1.134 340 S HN 0.589 nan 8.310 nan 0.000 0.544 341 F N 1.096 121.106 119.950 0.100 0.000 2.269 341 F HA 0.023 4.551 4.527 0.002 0.000 0.301 341 F C 1.355 177.197 175.800 0.070 0.000 1.082 341 F CA 1.455 59.499 58.000 0.074 0.000 1.360 341 F CB -0.290 38.748 39.000 0.063 0.000 1.041 341 F HN 0.509 nan 8.300 nan 0.000 0.512 342 D N -0.991 118.893 120.400 -0.861 0.000 2.402 342 D HA 0.250 4.891 4.640 0.001 0.000 0.216 342 D C 1.731 177.857 176.300 -0.291 0.000 1.128 342 D CA 0.304 53.867 54.000 -0.728 0.000 0.833 342 D CB 0.168 40.311 40.800 -1.095 0.000 0.971 342 D HN 0.468 nan 8.370 nan 0.000 0.503 343 G N 0.040 108.747 108.800 -0.156 0.000 2.217 343 G HA2 -0.289 3.672 3.960 0.001 0.000 0.246 343 G HA3 -0.289 3.672 3.960 0.001 0.000 0.246 343 G C 0.464 175.339 174.900 -0.041 0.000 0.990 343 G CA 0.164 45.223 45.100 -0.068 0.000 0.627 343 G HN 0.409 nan 8.290 nan 0.000 0.522 344 S N 1.167 116.853 115.700 -0.023 0.000 2.558 344 S HA 0.379 4.849 4.470 0.001 0.000 0.288 344 S C 0.782 175.384 174.600 0.005 0.000 1.318 344 S CA 0.081 58.296 58.200 0.025 0.000 1.056 344 S CB 0.601 63.940 63.200 0.232 0.000 0.853 344 S HN 0.494 nan 8.310 nan 0.000 0.505 345 R N 1.607 122.059 120.500 -0.080 0.000 2.312 345 R HA 0.392 4.733 4.340 0.001 0.000 0.311 345 R C -1.094 175.142 176.300 -0.106 0.000 1.004 345 R CA -0.532 55.562 56.100 -0.010 0.000 0.902 345 R CB 1.098 31.436 30.300 0.063 0.000 1.073 345 R HN 0.341 nan 8.270 nan 0.000 0.457 346 V N 5.873 125.751 119.914 -0.060 0.000 2.348 346 V HA 0.212 4.333 4.120 0.001 0.000 0.270 346 V C -1.985 173.873 176.094 -0.395 0.000 1.037 346 V CA -2.111 60.113 62.300 -0.126 0.000 0.872 346 V CB 1.185 33.077 31.823 0.114 0.000 1.002 346 V HN 0.646 nan 8.190 nan 0.000 0.464 347 P HA 0.243 nan 4.420 nan 0.000 0.276 347 P C -0.362 176.505 177.300 -0.721 0.000 1.253 347 P CA 0.122 62.441 63.100 -1.302 0.000 0.766 347 P CB 0.552 31.112 31.700 -1.899 0.000 0.845 348 T N 3.866 118.012 114.554 -0.681 0.000 2.881 348 T HA 0.308 4.658 4.350 0.001 0.000 0.291 348 T C -0.669 173.786 174.700 -0.409 0.000 0.990 348 T CA -0.194 61.674 62.100 -0.386 0.000 0.976 348 T CB 0.318 68.962 68.868 -0.374 0.000 0.970 348 T HN 0.120 nan 8.240 nan 0.000 0.438 349 Y N 1.875 122.078 120.300 -0.162 0.000 2.319 349 Y HA 0.484 5.035 4.550 0.001 0.000 0.328 349 Y C 0.261 176.144 175.900 -0.029 0.000 1.133 349 Y CA -0.277 57.769 58.100 -0.090 0.000 1.265 349 Y CB 0.955 39.391 38.460 -0.041 0.000 1.218 349 Y HN 0.307 nan 8.280 nan 0.000 0.508 350 V N 5.703 125.686 119.914 0.116 0.000 2.483 350 V HA 0.278 4.399 4.120 0.001 0.000 0.297 350 V C -1.056 175.145 176.094 0.178 0.000 1.027 350 V CA -0.859 61.533 62.300 0.153 0.000 0.855 350 V CB 1.683 33.599 31.823 0.157 0.000 0.995 350 V HN 0.449 nan 8.190 nan 0.000 0.424 351 L N 4.542 125.875 121.223 0.184 0.000 2.276 351 L HA 0.527 4.868 4.340 0.001 0.000 0.286 351 L C 0.108 177.106 176.870 0.213 0.000 1.024 351 L CA 0.133 55.074 54.840 0.168 0.000 0.826 351 L CB 1.306 43.438 42.059 0.122 0.000 1.211 351 L HN 0.796 nan 8.230 nan 0.000 0.422 352 E N 3.175 123.494 120.200 0.198 0.000 2.229 352 E HA 0.210 4.561 4.350 0.001 0.000 0.283 352 E C -0.738 176.051 176.600 0.314 0.000 1.030 352 E CA -0.326 56.239 56.400 0.274 0.000 0.836 352 E CB 1.056 30.824 29.700 0.112 0.000 1.068 352 E HN 0.615 nan 8.360 nan 0.000 0.401 353 S N 2.648 118.614 115.700 0.444 0.000 2.548 353 S HA 0.252 4.722 4.470 0.001 0.000 0.277 353 S C 1.013 175.694 174.600 0.135 0.000 1.315 353 S CA -0.011 58.280 58.200 0.150 0.000 1.050 353 S CB 1.019 64.182 63.200 -0.061 0.000 0.918 353 S HN 0.682 nan 8.310 nan 0.000 0.497 354 G N 3.641 112.492 108.800 0.086 0.000 2.848 354 G HA2 0.034 3.995 3.960 0.001 0.000 0.208 354 G HA3 0.034 3.995 3.960 0.001 0.000 0.208 354 G C 0.985 175.901 174.900 0.026 0.000 1.152 354 G CA -0.148 44.992 45.100 0.066 0.000 0.789 354 G HN 0.748 nan 8.290 nan 0.000 0.531 355 R N -0.436 120.055 120.500 -0.014 0.000 2.577 355 R HA 0.484 4.825 4.340 0.001 0.000 0.344 355 R C 0.144 176.370 176.300 -0.122 0.000 1.037 355 R CA -0.007 56.059 56.100 -0.057 0.000 1.102 355 R CB 1.019 31.282 30.300 -0.061 0.000 1.313 355 R HN 0.219 nan 8.270 nan 0.000 0.561 356 A N 1.766 124.503 122.820 -0.138 0.000 2.401 356 A HA 0.657 4.978 4.320 0.001 0.000 0.310 356 A C -2.544 175.019 177.584 -0.034 0.000 1.075 356 A CA -1.687 50.225 52.037 -0.208 0.000 0.746 356 A CB 1.226 19.896 19.000 -0.549 0.000 1.277 356 A HN -0.110 nan 8.150 nan 0.000 0.425 357 P HA 0.424 nan 4.420 nan 0.000 0.275 357 P C -0.567 176.840 177.300 0.178 0.000 1.266 357 P CA 0.008 63.146 63.100 0.063 0.000 0.793 357 P CB 0.730 32.442 31.700 0.020 0.000 1.074 358 T N 1.680 116.306 114.554 0.119 0.000 2.815 358 T HA 0.394 4.744 4.350 0.001 0.000 0.289 358 T C -2.252 172.465 174.700 0.028 0.000 1.000 358 T CA -0.983 61.169 62.100 0.087 0.000 0.958 358 T CB 0.649 69.525 68.868 0.013 0.000 0.944 358 T HN 0.387 nan 8.240 nan 0.000 0.442 359 P HA 0.516 nan 4.420 nan 0.000 0.269 359 P C -0.088 177.269 177.300 0.094 0.000 1.209 359 P CA -0.172 62.949 63.100 0.034 0.000 0.776 359 P CB 0.840 32.539 31.700 -0.003 0.000 0.876 360 G N 1.240 110.149 108.800 0.182 0.000 2.708 360 G HA2 0.554 4.515 3.960 0.001 0.000 0.289 360 G HA3 0.554 4.515 3.960 0.001 0.000 0.289 360 G C -3.317 171.680 174.900 0.162 0.000 1.416 360 G CA -1.438 43.746 45.100 0.140 0.000 0.829 360 G HN 0.205 nan 8.290 nan 0.000 0.480 361 P HA 0.335 nan 4.420 nan 0.000 0.268 361 P C -0.496 177.032 177.300 0.380 0.000 1.204 361 P CA 0.368 63.607 63.100 0.232 0.000 0.768 361 P CB 1.080 32.829 31.700 0.081 0.000 0.842 362 T N 2.167 117.024 114.554 0.504 0.000 2.921 362 T HA 0.363 4.714 4.350 0.001 0.000 0.297 362 T C -0.683 174.288 174.700 0.452 0.000 1.013 362 T CA -0.414 61.959 62.100 0.454 0.000 0.990 362 T CB 1.044 70.121 68.868 0.350 0.000 1.023 362 T HN -0.060 nan 8.240 nan 0.000 0.447 363 V N 3.489 123.607 119.914 0.340 0.000 2.370 363 V HA 0.358 4.478 4.120 0.001 0.000 0.283 363 V C 0.139 176.351 176.094 0.197 0.000 1.023 363 V CA -0.818 61.608 62.300 0.209 0.000 0.857 363 V CB 1.707 33.526 31.823 -0.008 0.000 0.985 363 V HN 0.743 nan 8.190 nan 0.000 0.443 364 V N 6.629 126.656 119.914 0.190 0.000 2.387 364 V HA 0.196 4.317 4.120 0.001 0.000 0.260 364 V C -0.027 176.107 176.094 0.067 0.000 1.054 364 V CA -0.105 62.296 62.300 0.169 0.000 0.967 364 V CB 0.939 32.910 31.823 0.247 0.000 1.036 364 V HN 0.633 nan 8.190 nan 0.000 0.481 365 L N 7.821 129.107 121.223 0.105 0.000 2.262 365 L HA 0.509 4.850 4.340 0.001 0.000 0.288 365 L C -0.190 176.759 176.870 0.133 0.000 1.035 365 L CA 0.312 55.210 54.840 0.097 0.000 0.820 365 L CB 1.318 43.444 42.059 0.110 0.000 1.204 365 L HN 0.402 nan 8.230 nan 0.000 0.424 366 V N 5.073 125.055 119.914 0.114 0.000 2.407 366 V HA 0.286 4.407 4.120 0.001 0.000 0.278 366 V C 0.019 176.252 176.094 0.232 0.000 1.037 366 V CA -0.728 61.664 62.300 0.154 0.000 0.900 366 V CB 0.747 32.600 31.823 0.050 0.000 0.983 366 V HN 0.936 nan 8.190 nan 0.000 0.459 367 H N 2.733 122.002 119.070 0.332 0.000 2.757 367 H HA 0.612 5.168 4.556 0.001 0.000 0.370 367 H C 0.598 176.142 175.328 0.359 0.000 1.172 367 H CA 0.239 56.441 56.048 0.256 0.000 1.426 367 H CB 0.544 30.391 29.762 0.141 0.000 1.438 367 H HN 0.669 nan 8.280 nan 0.000 0.612 368 G N -0.610 108.482 108.800 0.486 0.000 2.531 368 G HA2 0.496 4.457 3.960 0.001 0.000 0.253 368 G HA3 0.496 4.457 3.960 0.001 0.000 0.253 368 G C 0.530 175.734 174.900 0.507 0.000 1.439 368 G CA -0.432 44.942 45.100 0.457 0.000 1.056 368 G HN 1.317 nan 8.290 nan 0.000 0.555 369 G N -0.613 108.394 108.800 0.346 0.000 2.938 369 G HA2 -0.163 3.797 3.960 0.001 0.000 0.234 369 G HA3 -0.163 3.797 3.960 0.001 0.000 0.234 369 G C -1.050 173.904 174.900 0.090 0.000 1.707 369 G CA 0.652 45.869 45.100 0.195 0.000 1.299 369 G HN 0.781 nan 8.290 nan 0.000 0.515 370 P HA 0.188 nan 4.420 nan 0.000 0.231 370 P C 0.593 178.007 177.300 0.190 0.000 1.168 370 P CA 0.404 63.456 63.100 -0.081 0.000 0.779 370 P CB -0.163 31.216 31.700 -0.536 0.000 0.844 371 F N 1.402 121.424 119.950 0.119 0.000 2.679 371 F HA 0.398 4.926 4.527 0.002 0.000 0.351 371 F C 1.127 176.930 175.800 0.005 0.000 1.279 371 F CA -0.758 57.291 58.000 0.082 0.000 1.227 371 F CB -0.119 38.956 39.000 0.126 0.000 1.623 371 F HN 0.026 nan 8.300 nan 0.000 0.666 372 A N 2.850 125.721 122.820 0.084 0.000 2.581 372 A HA 0.728 5.049 4.320 0.001 0.000 0.290 372 A C -1.192 176.081 177.584 -0.518 0.000 1.119 372 A CA -0.842 51.097 52.037 -0.163 0.000 0.670 372 A CB 2.021 20.942 19.000 -0.131 0.000 1.280 372 A HN 0.539 nan 8.150 nan 0.000 0.425 373 E N 0.533 120.458 120.200 -0.459 0.000 2.383 373 E HA 0.498 4.849 4.350 0.001 0.000 0.275 373 E C -1.836 174.609 176.600 -0.259 0.000 0.918 373 E CA -0.838 55.325 56.400 -0.395 0.000 0.764 373 E CB 1.853 31.529 29.700 -0.041 0.000 1.252 373 E HN 0.397 nan 8.360 nan 0.000 0.449 374 D N 1.985 122.332 120.400 -0.090 0.000 2.316 374 D HA 0.236 4.877 4.640 0.001 0.000 0.245 374 D C -0.403 175.852 176.300 -0.075 0.000 1.171 374 D CA 0.174 54.160 54.000 -0.023 0.000 0.856 374 D CB 1.556 42.434 40.800 0.130 0.000 1.090 374 D HN 0.517 nan 8.370 nan 0.000 0.476 375 S N 0.975 116.492 115.700 -0.304 0.000 2.810 375 S HA 0.270 4.741 4.470 0.001 0.000 0.315 375 S C -0.221 173.839 174.600 -0.901 0.000 1.138 375 S CA -0.931 56.959 58.200 -0.517 0.000 0.889 375 S CB 1.818 64.884 63.200 -0.224 0.000 1.236 375 S HN 0.151 nan 8.310 nan 0.000 0.548 376 D N 1.178 121.117 120.400 -0.767 0.000 2.600 376 D HA 0.435 5.076 4.640 0.001 0.000 0.226 376 D C -0.801 175.344 176.300 -0.258 0.000 1.119 376 D CA 0.283 54.005 54.000 -0.462 0.000 1.051 376 D CB -0.906 39.806 40.800 -0.147 0.000 1.106 376 D HN 0.435 nan 8.370 nan 0.000 0.491 377 S N 1.624 117.175 115.700 -0.249 0.000 2.549 377 S HA 0.250 4.721 4.470 0.001 0.000 0.280 377 S C -0.834 173.730 174.600 -0.061 0.000 1.109 377 S CA -0.968 57.147 58.200 -0.143 0.000 0.905 377 S CB 1.408 64.521 63.200 -0.145 0.000 1.081 377 S HN 0.398 nan 8.310 nan 0.000 0.477 378 W N 3.698 124.891 121.300 -0.178 0.000 2.347 378 W HA 0.112 4.773 4.660 0.002 0.000 0.333 378 W C -1.019 175.426 176.519 -0.124 0.000 1.383 378 W CA 0.782 58.046 57.345 -0.136 0.000 1.283 378 W CB 0.332 29.711 29.460 -0.135 0.000 1.253 378 W HN 0.569 nan 8.180 nan 0.000 0.563 379 D N 4.992 124.898 120.400 -0.822 0.000 2.469 379 D HA 0.124 4.765 4.640 0.001 0.000 0.251 379 D C 0.886 176.646 176.300 -0.901 0.000 1.173 379 D CA -0.268 53.337 54.000 -0.657 0.000 0.882 379 D CB 1.528 42.109 40.800 -0.365 0.000 1.129 379 D HN 0.305 nan 8.370 nan 0.000 0.549 380 T N 2.862 117.019 114.554 -0.661 0.000 2.720 380 T HA -0.127 4.224 4.350 0.001 0.000 0.268 380 T C 1.623 176.294 174.700 -0.048 0.000 1.037 380 T CA 0.978 62.889 62.100 -0.314 0.000 1.144 380 T CB -0.130 68.771 68.868 0.055 0.000 0.864 380 T HN 0.363 nan 8.240 nan 0.000 0.444 381 F N 1.743 121.512 119.950 -0.301 0.000 2.102 381 F HA 0.073 4.600 4.527 0.001 0.000 0.298 381 F C 2.698 178.384 175.800 -0.190 0.000 1.105 381 F CA 0.244 58.118 58.000 -0.210 0.000 1.239 381 F CB -1.467 37.427 39.000 -0.176 0.000 0.991 381 F HN 0.149 nan 8.300 nan 0.000 0.474 382 A N -0.032 122.770 122.820 -0.031 0.000 1.902 382 A HA -0.039 4.281 4.320 0.001 0.000 0.217 382 A C 2.462 179.974 177.584 -0.119 0.000 1.181 382 A CA 1.903 53.899 52.037 -0.068 0.000 0.623 382 A CB -1.287 17.653 19.000 -0.099 0.000 0.818 382 A HN 0.294 nan 8.150 nan 0.000 0.443 383 A N -0.548 122.102 122.820 -0.284 0.000 1.933 383 A HA -0.070 4.250 4.320 0.001 0.000 0.218 383 A C 2.429 179.971 177.584 -0.070 0.000 1.175 383 A CA 2.064 53.958 52.037 -0.239 0.000 0.628 383 A CB -0.830 17.885 19.000 -0.475 0.000 0.814 383 A HN 0.455 nan 8.150 nan 0.000 0.444 384 S N -0.115 115.542 115.700 -0.071 0.000 2.368 384 S HA -0.083 4.387 4.470 0.001 0.000 0.225 384 S C 1.811 176.412 174.600 0.001 0.000 1.030 384 S CA 1.415 59.591 58.200 -0.040 0.000 0.999 384 S CB -0.429 62.706 63.200 -0.108 0.000 0.844 384 S HN 0.518 nan 8.310 nan 0.000 0.459 385 L N 1.096 122.321 121.223 0.004 0.000 2.056 385 L HA -0.111 4.230 4.340 0.001 0.000 0.207 385 L C 2.831 179.809 176.870 0.179 0.000 1.078 385 L CA 1.137 56.034 54.840 0.094 0.000 0.749 385 L CB -0.762 41.313 42.059 0.026 0.000 0.901 385 L HN 0.318 nan 8.230 nan 0.000 0.433 386 A N 0.260 123.139 122.820 0.097 0.000 1.883 386 A HA -0.239 4.081 4.320 0.001 0.000 0.217 386 A C 2.527 180.142 177.584 0.053 0.000 1.186 386 A CA 1.975 54.061 52.037 0.081 0.000 0.624 386 A CB -0.797 18.243 19.000 0.067 0.000 0.822 386 A HN 0.415 nan 8.150 nan 0.000 0.444 387 A N -0.482 122.369 122.820 0.052 0.000 1.972 387 A HA 0.213 4.534 4.320 0.001 0.000 0.219 387 A C 2.219 179.820 177.584 0.028 0.000 1.169 387 A CA 1.816 53.878 52.037 0.041 0.000 0.635 387 A CB -0.746 18.282 19.000 0.047 0.000 0.810 387 A HN 1.171 nan 8.150 nan 0.000 0.446 388 A N -1.509 121.350 122.820 0.064 0.000 2.259 388 A HA 0.433 4.753 4.320 0.001 0.000 0.208 388 A C 1.521 179.044 177.584 -0.102 0.000 1.201 388 A CA 0.988 53.061 52.037 0.060 0.000 0.824 388 A CB -1.102 18.020 19.000 0.203 0.000 0.838 388 A HN 1.914 nan 8.150 nan 0.000 0.485 389 G N -1.403 107.316 108.800 -0.135 0.000 2.204 389 G HA2 -0.223 3.738 3.960 0.001 0.000 0.244 389 G HA3 -0.223 3.738 3.960 0.001 0.000 0.244 389 G C -0.307 174.254 174.900 -0.566 0.000 1.062 389 G CA 0.058 44.963 45.100 -0.325 0.000 0.798 389 G HN 0.359 nan 8.290 nan 0.000 0.496 390 F N 0.974 120.844 119.950 -0.133 0.000 2.482 390 F HA 0.532 5.060 4.527 0.002 0.000 0.331 390 F C 0.914 176.644 175.800 -0.117 0.000 1.115 390 F CA -1.212 56.716 58.000 -0.121 0.000 0.955 390 F CB 1.172 40.155 39.000 -0.028 0.000 1.136 390 F HN 0.100 nan 8.300 nan 0.000 0.452 391 H N 1.882 121.097 119.070 0.242 0.000 2.771 391 H HA 0.380 4.937 4.556 0.001 0.000 0.364 391 H C -0.435 175.027 175.328 0.224 0.000 1.133 391 H CA -0.045 56.121 56.048 0.197 0.000 1.423 391 H CB 1.154 31.015 29.762 0.165 0.000 1.425 391 H HN 0.273 nan 8.280 nan 0.000 0.606 392 V N 3.219 123.324 119.914 0.318 0.000 2.531 392 V HA 0.213 4.334 4.120 0.001 0.000 0.301 392 V C -0.024 176.208 176.094 0.229 0.000 1.034 392 V CA -0.791 61.649 62.300 0.233 0.000 0.865 392 V CB 1.980 33.896 31.823 0.156 0.000 0.995 392 V HN 0.425 nan 8.190 nan 0.000 0.424 393 V N 6.071 126.123 119.914 0.230 0.000 2.448 393 V HA 0.541 4.661 4.120 0.001 0.000 0.295 393 V C -0.165 176.042 176.094 0.188 0.000 1.025 393 V CA -0.344 62.093 62.300 0.227 0.000 0.859 393 V CB 1.708 33.708 31.823 0.295 0.000 0.988 393 V HN 0.899 nan 8.190 nan 0.000 0.431 394 M N 7.928 127.627 119.600 0.165 0.000 1.980 394 M HA 0.359 4.840 4.480 0.001 0.000 0.282 394 M C -2.905 173.495 176.300 0.166 0.000 0.878 394 M CA -1.399 54.006 55.300 0.176 0.000 0.900 394 M CB 2.316 35.018 32.600 0.170 0.000 1.577 394 M HN 0.340 nan 8.290 nan 0.000 0.396 395 P HA 0.187 nan 4.420 nan 0.000 0.292 395 P C -1.023 176.399 177.300 0.204 0.000 1.287 395 P CA -0.382 62.808 63.100 0.150 0.000 0.800 395 P CB 0.762 32.581 31.700 0.198 0.000 0.945 396 N N 3.427 122.195 118.700 0.114 0.000 3.124 396 N HA 0.051 4.792 4.740 0.001 0.000 0.284 396 N C 0.232 175.921 175.510 0.298 0.000 1.209 396 N CA -0.109 53.030 53.050 0.149 0.000 1.149 396 N CB -0.500 38.013 38.487 0.043 0.000 1.434 396 N HN 0.461 nan 8.380 nan 0.000 0.529 397 Y N 0.116 120.601 120.300 0.308 0.000 2.652 397 Y HA 0.013 4.564 4.550 0.002 0.000 0.344 397 Y C 1.133 177.046 175.900 0.023 0.000 1.254 397 Y CA -1.264 56.972 58.100 0.226 0.000 1.480 397 Y CB 0.287 38.801 38.460 0.089 0.000 1.345 397 Y HN 0.267 nan 8.280 nan 0.000 0.617 398 R N 1.315 121.641 120.500 -0.291 0.000 2.585 398 R HA 0.350 4.691 4.340 0.001 0.000 0.275 398 R C 0.824 176.932 176.300 -0.320 0.000 1.018 398 R CA 0.570 55.966 56.100 -1.172 0.000 1.072 398 R CB -0.344 29.226 30.300 -1.218 0.000 0.953 398 R HN 1.396 nan 8.270 nan 0.000 0.419 399 G N 1.780 110.391 108.800 -0.315 0.000 2.259 399 G HA2 -0.273 3.688 3.960 0.001 0.000 0.217 399 G HA3 -0.273 3.688 3.960 0.001 0.000 0.217 399 G C -0.060 174.945 174.900 0.176 0.000 1.001 399 G CA 0.070 45.217 45.100 0.078 0.000 0.627 399 G HN 0.673 nan 8.290 nan 0.000 0.501 400 S N 1.651 117.367 115.700 0.027 0.000 2.573 400 S HA 0.510 4.981 4.470 0.001 0.000 0.277 400 S C 0.997 175.749 174.600 0.253 0.000 1.346 400 S CA 0.570 58.861 58.200 0.152 0.000 1.034 400 S CB 1.073 64.407 63.200 0.223 0.000 0.879 400 S HN 1.191 nan 8.310 nan 0.000 0.528 401 T N -1.136 113.524 114.554 0.177 0.000 2.824 401 T HA 0.611 4.962 4.350 0.001 0.000 0.277 401 T C 1.270 176.088 174.700 0.197 0.000 0.975 401 T CA -0.091 62.098 62.100 0.148 0.000 0.966 401 T CB 0.741 69.648 68.868 0.064 0.000 1.054 401 T HN 1.246 nan 8.240 nan 0.000 0.533 402 G N -0.265 108.569 108.800 0.057 0.000 2.195 402 G HA2 -0.243 3.717 3.960 0.001 0.000 0.246 402 G HA3 -0.243 3.717 3.960 0.001 0.000 0.246 402 G C 0.213 174.821 174.900 -0.485 0.000 0.984 402 G CA 0.367 45.354 45.100 -0.188 0.000 0.633 402 G HN 0.797 nan 8.290 nan 0.000 0.525 403 Y N 0.761 121.132 120.300 0.118 0.000 2.707 403 Y HA 0.497 5.048 4.550 0.001 0.000 0.249 403 Y C 1.279 177.245 175.900 0.110 0.000 1.166 403 Y CA 0.384 58.544 58.100 0.099 0.000 1.184 403 Y CB 1.193 39.682 38.460 0.048 0.000 1.240 403 Y HN 1.197 nan 8.280 nan 0.000 0.547 404 G N 0.527 109.428 108.800 0.169 0.000 2.570 404 G HA2 -0.203 3.758 3.960 0.001 0.000 0.686 404 G HA3 -0.203 3.758 3.960 0.001 0.000 0.686 404 G C 0.042 175.025 174.900 0.139 0.000 1.257 404 G CA -0.271 44.904 45.100 0.125 0.000 0.846 404 G HN 0.128 nan 8.290 nan 0.000 0.627 405 E N -0.206 120.032 120.200 0.063 0.000 2.106 405 E HA -0.088 4.263 4.350 0.001 0.000 0.192 405 E C 2.106 178.752 176.600 0.075 0.000 0.984 405 E CA 2.175 58.590 56.400 0.026 0.000 0.806 405 E CB -0.063 29.625 29.700 -0.020 0.000 0.750 405 E HN 0.653 nan 8.360 nan 0.000 0.458 406 E N -0.378 119.893 120.200 0.119 0.000 2.051 406 E HA -0.206 4.145 4.350 0.001 0.000 0.192 406 E C 1.870 178.607 176.600 0.228 0.000 0.991 406 E CA 1.227 57.714 56.400 0.145 0.000 0.799 406 E CB -0.482 29.303 29.700 0.143 0.000 0.748 406 E HN 0.545 nan 8.360 nan 0.000 0.449 407 W N 1.692 123.040 121.300 0.080 0.000 2.358 407 W HA -0.189 4.472 4.660 0.002 0.000 0.303 407 W C 2.363 178.956 176.519 0.124 0.000 1.208 407 W CA 1.423 58.834 57.345 0.110 0.000 1.274 407 W CB -0.123 29.422 29.460 0.141 0.000 1.138 407 W HN 0.096 nan 8.180 nan 0.000 0.515 408 R N 0.472 121.071 120.500 0.165 0.000 2.081 408 R HA -0.163 4.178 4.340 0.001 0.000 0.235 408 R C 2.322 178.642 176.300 0.034 0.000 1.131 408 R CA 1.691 57.821 56.100 0.050 0.000 0.960 408 R CB -0.730 29.561 30.300 -0.015 0.000 0.856 408 R HN 0.231 nan 8.270 nan 0.000 0.436 409 L N 0.421 121.660 121.223 0.026 0.000 2.552 409 L HA 0.002 4.343 4.340 0.001 0.000 0.227 409 L C 1.970 178.862 176.870 0.037 0.000 1.146 409 L CA 0.597 55.464 54.840 0.046 0.000 0.858 409 L CB -0.123 41.953 42.059 0.028 0.000 0.969 409 L HN 0.145 nan 8.230 nan 0.000 0.451 410 K N 0.443 120.837 120.400 -0.009 0.000 2.280 410 K HA -0.153 4.168 4.320 0.001 0.000 0.202 410 K C 1.990 178.577 176.600 -0.022 0.000 1.047 410 K CA 1.087 57.358 56.287 -0.027 0.000 0.942 410 K CB -0.003 32.438 32.500 -0.098 0.000 0.739 410 K HN 0.293 nan 8.250 nan 0.000 0.457 411 I N 1.042 121.604 120.570 -0.014 0.000 2.676 411 I HA -0.108 4.062 4.170 0.001 0.000 0.259 411 I C 0.043 176.165 176.117 0.007 0.000 1.194 411 I CA 0.223 61.531 61.300 0.014 0.000 1.473 411 I CB 0.331 38.354 38.000 0.037 0.000 1.096 411 I HN -0.020 nan 8.210 nan 0.000 0.443 412 I N 2.441 123.025 120.570 0.022 0.000 2.662 412 I HA 0.011 4.182 4.170 0.001 0.000 0.285 412 I C 1.514 177.614 176.117 -0.029 0.000 1.161 412 I CA 1.213 62.509 61.300 -0.007 0.000 1.415 412 I CB -0.679 37.340 38.000 0.032 0.000 1.385 412 I HN 0.507 nan 8.210 nan 0.000 0.552 413 G N 5.489 114.244 108.800 -0.075 0.000 2.179 413 G HA2 -0.257 3.703 3.960 0.001 0.000 0.260 413 G HA3 -0.257 3.703 3.960 0.001 0.000 0.260 413 G C 0.293 175.162 174.900 -0.051 0.000 0.977 413 G CA 0.351 45.408 45.100 -0.072 0.000 0.641 413 G HN 0.614 nan 8.290 nan 0.000 0.533 414 D N 0.400 120.781 120.400 -0.032 0.000 2.992 414 D HA 0.315 4.956 4.640 0.001 0.000 0.372 414 D C -2.117 174.216 176.300 0.055 0.000 1.374 414 D CA -1.044 52.961 54.000 0.009 0.000 0.769 414 D CB 1.015 41.830 40.800 0.026 0.000 1.215 414 D HN 0.293 nan 8.370 nan 0.000 0.473 415 P HA 0.061 nan 4.420 nan 0.000 0.271 415 P C 0.317 177.783 177.300 0.277 0.000 1.218 415 P CA -0.089 63.176 63.100 0.275 0.000 0.780 415 P CB 1.171 33.035 31.700 0.273 0.000 0.901 416 C N 2.265 121.724 119.300 0.265 0.000 3.896 416 C HA -0.079 4.382 4.460 0.001 0.000 0.300 416 C C 1.180 176.169 174.990 -0.001 0.000 1.322 416 C CA 0.967 60.008 59.018 0.037 0.000 2.130 416 C CB -2.255 25.498 27.740 0.022 0.000 1.363 416 C HN 0.875 nan 8.230 nan 0.000 0.642 417 G N 0.369 109.161 108.800 -0.012 0.000 3.190 417 G HA2 0.527 4.488 3.960 0.001 0.000 0.191 417 G HA3 0.527 4.488 3.960 0.001 0.000 0.191 417 G C 1.128 175.942 174.900 -0.144 0.000 1.523 417 G CA 0.611 45.666 45.100 -0.075 0.000 0.842 417 G HN 1.120 nan 8.290 nan 0.000 0.782 418 G N 0.801 109.554 108.800 -0.079 0.000 2.442 418 G HA2 -0.134 3.827 3.960 0.001 0.000 0.219 418 G HA3 -0.134 3.827 3.960 0.001 0.000 0.219 418 G C 1.527 176.467 174.900 0.068 0.000 1.141 418 G CA 1.846 46.947 45.100 0.002 0.000 0.763 418 G HN 0.582 nan 8.290 nan 0.000 0.554 419 E N 0.836 121.065 120.200 0.047 0.000 2.106 419 E HA -0.117 4.234 4.350 0.001 0.000 0.192 419 E C 2.384 178.979 176.600 -0.008 0.000 0.984 419 E CA 0.970 57.410 56.400 0.066 0.000 0.806 419 E CB -0.684 29.070 29.700 0.090 0.000 0.750 419 E HN 0.375 nan 8.360 nan 0.000 0.458 420 L N 1.523 122.707 121.223 -0.065 0.000 2.141 420 L HA -0.078 4.262 4.340 0.001 0.000 0.209 420 L C 2.154 179.003 176.870 -0.035 0.000 1.094 420 L CA 1.704 56.492 54.840 -0.088 0.000 0.763 420 L CB -0.379 41.603 42.059 -0.129 0.000 0.908 420 L HN -0.085 nan 8.230 nan 0.000 0.437 421 E N 0.114 120.271 120.200 -0.071 0.000 2.110 421 E HA -0.196 4.154 4.350 0.001 0.000 0.193 421 E C 1.824 178.516 176.600 0.154 0.000 0.988 421 E CA 1.358 57.738 56.400 -0.034 0.000 0.804 421 E CB -0.335 29.199 29.700 -0.277 0.000 0.745 421 E HN 0.609 nan 8.360 nan 0.000 0.458 422 D N 0.353 120.882 120.400 0.215 0.000 2.117 422 D HA -0.092 4.549 4.640 0.001 0.000 0.198 422 D C 2.198 178.637 176.300 0.233 0.000 0.982 422 D CA 0.608 54.780 54.000 0.286 0.000 0.828 422 D CB -0.293 40.736 40.800 0.381 0.000 0.967 422 D HN 0.008 nan 8.370 nan 0.000 0.464 423 V N 1.265 121.292 119.914 0.190 0.000 2.287 423 V HA -0.247 3.874 4.120 0.001 0.000 0.248 423 V C 2.511 178.735 176.094 0.218 0.000 1.053 423 V CA 1.877 64.291 62.300 0.190 0.000 1.027 423 V CB -0.611 31.273 31.823 0.101 0.000 0.646 423 V HN 0.147 nan 8.190 nan 0.000 0.447 424 S N 0.249 116.047 115.700 0.163 0.000 2.368 424 S HA -0.158 4.312 4.470 0.001 0.000 0.225 424 S C 2.206 176.871 174.600 0.109 0.000 1.030 424 S CA 1.355 59.621 58.200 0.111 0.000 0.999 424 S CB -0.524 62.698 63.200 0.038 0.000 0.844 424 S HN 0.660 nan 8.310 nan 0.000 0.459 425 A N 1.688 124.597 122.820 0.149 0.000 1.902 425 A HA 0.124 4.445 4.320 0.001 0.000 0.217 425 A C 2.371 180.079 177.584 0.207 0.000 1.181 425 A CA 1.648 53.786 52.037 0.169 0.000 0.623 425 A CB -1.079 18.037 19.000 0.193 0.000 0.818 425 A HN 0.518 nan 8.150 nan 0.000 0.443 426 A N -0.124 122.822 122.820 0.209 0.000 1.933 426 A HA 0.157 4.478 4.320 0.001 0.000 0.218 426 A C 2.489 180.270 177.584 0.329 0.000 1.175 426 A CA 2.054 54.237 52.037 0.244 0.000 0.628 426 A CB -0.964 18.150 19.000 0.189 0.000 0.814 426 A HN 1.024 nan 8.150 nan 0.000 0.444 427 A N 0.042 123.016 122.820 0.256 0.000 1.877 427 A HA -0.180 4.141 4.320 0.001 0.000 0.216 427 A C 2.258 179.903 177.584 0.102 0.000 1.186 427 A CA 1.555 53.706 52.037 0.190 0.000 0.620 427 A CB -0.489 18.522 19.000 0.018 0.000 0.822 427 A HN 0.560 nan 8.150 nan 0.000 0.443 428 R N -2.155 118.391 120.500 0.076 0.000 2.092 428 R HA -0.187 4.154 4.340 0.001 0.000 0.231 428 R C 2.067 178.427 176.300 0.100 0.000 1.119 428 R CA 1.507 57.635 56.100 0.047 0.000 0.970 428 R CB -0.457 29.867 30.300 0.039 0.000 0.864 428 R HN 0.808 nan 8.270 nan 0.000 0.440 429 W N 1.797 123.110 121.300 0.022 0.000 2.342 429 W HA -0.196 4.464 4.660 0.001 0.000 0.297 429 W C 2.162 178.695 176.519 0.023 0.000 1.213 429 W CA 1.684 59.045 57.345 0.026 0.000 1.251 429 W CB -0.154 29.329 29.460 0.037 0.000 1.136 429 W HN 0.086 nan 8.180 nan 0.000 0.526 430 A N 0.767 123.627 122.820 0.067 0.000 1.902 430 A HA -0.199 4.121 4.320 0.001 0.000 0.217 430 A C 2.115 179.536 177.584 -0.273 0.000 1.181 430 A CA 1.907 53.839 52.037 -0.175 0.000 0.623 430 A CB -0.944 18.152 19.000 0.161 0.000 0.818 430 A HN 0.460 nan 8.150 nan 0.000 0.443 431 R N -0.814 119.598 120.500 -0.146 0.000 2.057 431 R HA -0.093 4.247 4.340 0.001 0.000 0.229 431 R C 2.397 178.577 176.300 -0.199 0.000 1.136 431 R CA 1.820 57.836 56.100 -0.140 0.000 0.952 431 R CB -0.378 29.868 30.300 -0.090 0.000 0.848 431 R HN 0.536 nan 8.270 nan 0.000 0.430 432 E N 0.274 120.349 120.200 -0.209 0.000 2.150 432 E HA -0.136 4.215 4.350 0.001 0.000 0.193 432 E C 1.666 178.101 176.600 -0.276 0.000 0.985 432 E CA 1.383 57.673 56.400 -0.185 0.000 0.814 432 E CB -0.681 28.955 29.700 -0.107 0.000 0.752 432 E HN 0.674 nan 8.360 nan 0.000 0.466 433 S N -1.693 113.690 115.700 -0.527 0.000 2.515 433 S HA 0.316 4.787 4.470 0.001 0.000 0.231 433 S C 2.069 176.449 174.600 -0.367 0.000 0.987 433 S CA 1.127 58.985 58.200 -0.570 0.000 0.936 433 S CB -0.036 62.458 63.200 -1.178 0.000 0.766 433 S HN 1.704 nan 8.310 nan 0.000 0.528 434 G N 0.424 109.043 108.800 -0.301 0.000 2.175 434 G HA2 -0.241 3.720 3.960 0.001 0.000 0.244 434 G HA3 -0.241 3.720 3.960 0.001 0.000 0.244 434 G C 0.428 175.217 174.900 -0.185 0.000 0.982 434 G CA 0.310 45.295 45.100 -0.191 0.000 0.641 434 G HN 0.578 nan 8.290 nan 0.000 0.527 435 L N 0.944 122.005 121.223 -0.270 0.000 2.072 435 L HA 0.709 5.050 4.340 0.001 0.000 0.205 435 L C 1.746 178.577 176.870 -0.065 0.000 1.079 435 L CA 2.465 57.173 54.840 -0.220 0.000 0.752 435 L CB -0.285 41.610 42.059 -0.274 0.000 0.906 435 L HN 0.884 nan 8.230 nan 0.000 0.436 436 A N -1.509 121.279 122.820 -0.053 0.000 2.288 436 A HA 0.509 4.830 4.320 0.001 0.000 0.320 436 A C 1.010 178.604 177.584 0.016 0.000 1.217 436 A CA 0.149 52.213 52.037 0.045 0.000 0.840 436 A CB 0.658 19.692 19.000 0.057 0.000 1.179 436 A HN 0.414 nan 8.150 nan 0.000 0.504 437 S N 1.501 117.231 115.700 0.050 0.000 2.458 437 S HA 0.128 4.599 4.470 0.001 0.000 0.223 437 S C 0.419 175.021 174.600 0.004 0.000 1.019 437 S CA 0.672 58.883 58.200 0.019 0.000 0.937 437 S CB -0.279 62.938 63.200 0.028 0.000 0.788 437 S HN 0.869 nan 8.310 nan 0.000 0.511 438 E N -0.078 120.134 120.200 0.020 0.000 2.412 438 E HA 0.662 5.013 4.350 0.001 0.000 0.279 438 E C -1.792 174.765 176.600 -0.072 0.000 0.984 438 E CA -1.102 55.261 56.400 -0.061 0.000 0.788 438 E CB 1.190 30.841 29.700 -0.081 0.000 1.277 438 E HN 0.162 nan 8.360 nan 0.000 0.455 439 L N 1.709 122.811 121.223 -0.202 0.000 2.365 439 L HA 0.588 4.928 4.340 0.001 0.000 0.273 439 L C -1.318 175.454 176.870 -0.163 0.000 1.000 439 L CA -0.823 53.998 54.840 -0.033 0.000 0.819 439 L CB 1.218 43.311 42.059 0.057 0.000 1.284 439 L HN 0.595 nan 8.230 nan 0.000 0.418 440 Y N 2.439 122.944 120.300 0.341 0.000 2.602 440 Y HA 0.661 5.212 4.550 0.001 0.000 0.342 440 Y C -0.434 175.397 175.900 -0.116 0.000 1.029 440 Y CA -0.792 57.407 58.100 0.165 0.000 1.080 440 Y CB 2.436 40.906 38.460 0.015 0.000 1.284 440 Y HN 0.354 nan 8.280 nan 0.000 0.485 441 I N 2.930 123.317 120.570 -0.304 0.000 2.545 441 I HA 0.620 4.791 4.170 0.001 0.000 0.292 441 I C -1.449 174.510 176.117 -0.263 0.000 1.040 441 I CA -0.865 60.074 61.300 -0.602 0.000 1.068 441 I CB 1.542 38.721 38.000 -1.368 0.000 1.251 441 I HN 0.809 nan 8.210 nan 0.000 0.424 442 M N 6.759 126.247 119.600 -0.187 0.000 2.421 442 M HA 0.757 5.238 4.480 0.001 0.000 0.287 442 M C -1.436 174.825 176.300 -0.066 0.000 1.183 442 M CA -0.238 54.989 55.300 -0.122 0.000 0.916 442 M CB 2.250 34.810 32.600 -0.066 0.000 1.701 442 M HN 0.717 nan 8.290 nan 0.000 0.470 443 G N 2.280 111.018 108.800 -0.104 0.000 2.579 443 G HA2 0.556 4.516 3.960 0.001 0.000 0.292 443 G HA3 0.556 4.516 3.960 0.001 0.000 0.292 443 G C -2.705 172.112 174.900 -0.139 0.000 1.484 443 G CA -0.491 44.612 45.100 0.005 0.000 0.813 443 G HN 0.609 nan 8.290 nan 0.000 0.515 444 Y N 0.537 120.853 120.300 0.026 0.000 2.468 444 Y HA 0.724 5.275 4.550 0.002 0.000 0.342 444 Y C 1.164 177.086 175.900 0.038 0.000 1.021 444 Y CA 0.507 58.602 58.100 -0.009 0.000 1.079 444 Y CB 2.184 40.619 38.460 -0.041 0.000 1.226 444 Y HN 1.383 nan 8.280 nan 0.000 0.460 445 S N 1.212 116.994 115.700 0.136 0.000 4.069 445 S HA -0.427 4.043 4.470 0.001 0.000 0.626 445 S C 1.085 175.800 174.600 0.191 0.000 2.000 445 S CA 1.527 59.859 58.200 0.219 0.000 4.174 445 S CB -1.572 61.857 63.200 0.381 0.000 0.210 445 S HN 0.850 nan 8.310 nan 0.000 0.602 446 Y N 2.447 122.852 120.300 0.175 0.000 2.315 446 Y HA 0.077 4.628 4.550 0.001 0.000 0.288 446 Y C 2.444 178.441 175.900 0.161 0.000 1.154 446 Y CA 2.589 60.807 58.100 0.196 0.000 1.229 446 Y CB -1.001 37.610 38.460 0.253 0.000 0.980 446 Y HN 0.605 nan 8.280 nan 0.000 0.540 447 G N -1.061 107.876 108.800 0.227 0.000 2.432 447 G HA2 -0.218 3.743 3.960 0.001 0.000 0.219 447 G HA3 -0.218 3.743 3.960 0.001 0.000 0.219 447 G C 1.890 176.756 174.900 -0.056 0.000 1.135 447 G CA 0.741 45.894 45.100 0.089 0.000 0.767 447 G HN 0.549 nan 8.290 nan 0.000 0.550 448 G N -0.354 108.406 108.800 -0.066 0.000 2.408 448 G HA2 -0.166 3.794 3.960 0.001 0.000 0.215 448 G HA3 -0.166 3.794 3.960 0.001 0.000 0.215 448 G C 1.572 176.385 174.900 -0.145 0.000 1.156 448 G CA 0.907 45.916 45.100 -0.151 0.000 0.793 448 G HN 0.379 nan 8.290 nan 0.000 0.535 449 Y N 1.038 121.161 120.300 -0.295 0.000 2.114 449 Y HA -0.200 4.350 4.550 0.001 0.000 0.282 449 Y C 2.708 178.392 175.900 -0.359 0.000 1.165 449 Y CA 1.810 59.674 58.100 -0.394 0.000 1.148 449 Y CB -0.088 37.999 38.460 -0.621 0.000 0.972 449 Y HN 0.089 nan 8.280 nan 0.000 0.504 450 M N -0.539 118.797 119.600 -0.440 0.000 2.132 450 M HA -0.189 4.292 4.480 0.001 0.000 0.263 450 M C 2.076 178.177 176.300 -0.331 0.000 1.065 450 M CA 1.978 57.010 55.300 -0.447 0.000 1.122 450 M CB -1.487 30.912 32.600 -0.335 0.000 1.365 450 M HN 0.266 nan 8.290 nan 0.000 0.411 451 T N 1.674 116.064 114.554 -0.273 0.000 2.635 451 T HA -0.163 4.188 4.350 0.001 0.000 0.267 451 T C 2.009 176.581 174.700 -0.213 0.000 1.040 451 T CA 1.375 63.326 62.100 -0.248 0.000 1.156 451 T CB -0.425 68.306 68.868 -0.228 0.000 0.863 451 T HN 0.324 nan 8.240 nan 0.000 0.430 452 L N 0.292 121.377 121.223 -0.229 0.000 2.046 452 L HA -0.124 4.216 4.340 0.001 0.000 0.208 452 L C 2.969 179.710 176.870 -0.215 0.000 1.077 452 L CA 0.997 55.719 54.840 -0.197 0.000 0.747 452 L CB -0.764 41.185 42.059 -0.184 0.000 0.896 452 L HN 0.398 nan 8.230 nan 0.000 0.432 453 C N -0.238 118.852 119.300 -0.351 0.000 2.425 453 C HA -0.137 4.323 4.460 0.001 0.000 0.277 453 C C 3.147 178.026 174.990 -0.186 0.000 1.280 453 C CA 0.724 59.544 59.018 -0.329 0.000 1.744 453 C CB -1.040 26.378 27.740 -0.536 0.000 1.989 453 C HN 0.618 nan 8.230 nan 0.000 0.491 454 A N 0.180 122.916 122.820 -0.139 0.000 1.898 454 A HA -0.045 4.276 4.320 0.001 0.000 0.216 454 A C 2.103 179.714 177.584 0.045 0.000 1.181 454 A CA 1.290 53.333 52.037 0.010 0.000 0.620 454 A CB -0.543 18.534 19.000 0.129 0.000 0.819 454 A HN 0.603 nan 8.150 nan 0.000 0.442 455 L N -0.005 121.222 121.223 0.007 0.000 2.217 455 L HA -0.116 4.224 4.340 0.001 0.000 0.211 455 L C 2.894 179.764 176.870 0.000 0.000 1.107 455 L CA 1.693 56.552 54.840 0.031 0.000 0.783 455 L CB -0.783 41.287 42.059 0.019 0.000 0.919 455 L HN 0.672 nan 8.230 nan 0.000 0.442 456 T N -3.440 111.094 114.554 -0.034 0.000 2.894 456 T HA -0.060 4.291 4.350 0.001 0.000 0.258 456 T C 1.773 176.430 174.700 -0.071 0.000 1.043 456 T CA 0.574 62.654 62.100 -0.033 0.000 1.141 456 T CB -0.002 68.859 68.868 -0.013 0.000 0.873 456 T HN 0.021 nan 8.240 nan 0.000 0.449 457 M N 0.585 120.126 119.600 -0.098 0.000 2.501 457 M HA 0.306 4.787 4.480 0.001 0.000 0.261 457 M C 0.544 176.795 176.300 -0.082 0.000 1.129 457 M CA 0.772 55.997 55.300 -0.125 0.000 1.126 457 M CB -0.271 32.236 32.600 -0.154 0.000 1.359 457 M HN 0.149 nan 8.290 nan 0.000 0.471 458 K N 1.065 121.438 120.400 -0.045 0.000 3.271 458 K HA 0.348 4.668 4.320 0.001 0.000 0.192 458 K C -2.607 173.986 176.600 -0.012 0.000 1.108 458 K CA -1.364 54.904 56.287 -0.033 0.000 0.902 458 K CB 0.720 33.208 32.500 -0.021 0.000 0.889 458 K HN 0.100 nan 8.250 nan 0.000 0.520 459 P HA -0.014 nan 4.420 nan 0.000 0.266 459 P C 0.874 178.166 177.300 -0.013 0.000 1.195 459 P CA 1.036 64.139 63.100 0.005 0.000 0.768 459 P CB 0.823 32.523 31.700 0.000 0.000 0.838 460 G N 1.591 110.388 108.800 -0.004 0.000 2.241 460 G HA2 -0.320 3.641 3.960 0.001 0.000 0.244 460 G HA3 -0.320 3.641 3.960 0.001 0.000 0.244 460 G C 0.611 175.457 174.900 -0.091 0.000 0.998 460 G CA 0.307 45.387 45.100 -0.034 0.000 0.621 460 G HN 0.558 nan 8.290 nan 0.000 0.519 461 L N 0.136 121.273 121.223 -0.143 0.000 2.044 461 L HA 0.506 4.847 4.340 0.001 0.000 0.205 461 L C 1.128 177.684 176.870 -0.523 0.000 1.075 461 L CA 1.428 56.052 54.840 -0.359 0.000 0.747 461 L CB -0.352 41.424 42.059 -0.471 0.000 0.903 461 L HN 0.246 nan 8.230 nan 0.000 0.435 462 F N -0.831 119.097 119.950 -0.037 0.000 2.440 462 F HA 0.296 4.824 4.527 0.001 0.000 0.328 462 F C 1.504 177.260 175.800 -0.072 0.000 1.070 462 F CA -0.501 57.464 58.000 -0.058 0.000 1.011 462 F CB 1.045 40.039 39.000 -0.010 0.000 1.226 462 F HN -0.239 nan 8.300 nan 0.000 0.491 463 K N 1.053 121.479 120.400 0.044 0.000 2.243 463 K HA 0.468 4.789 4.320 0.001 0.000 0.201 463 K C -0.226 176.462 176.600 0.147 0.000 1.051 463 K CA 0.770 57.045 56.287 -0.020 0.000 0.970 463 K CB 0.288 32.631 32.500 -0.261 0.000 0.755 463 K HN 0.725 nan 8.250 nan 0.000 0.465 464 A N -0.569 122.419 122.820 0.280 0.000 2.597 464 A HA 0.593 4.914 4.320 0.001 0.000 0.292 464 A C -1.105 176.698 177.584 0.366 0.000 1.057 464 A CA -0.462 51.807 52.037 0.386 0.000 0.674 464 A CB 1.302 20.554 19.000 0.420 0.000 1.278 464 A HN 0.183 nan 8.150 nan 0.000 0.416 465 G N -0.543 108.443 108.800 0.309 0.000 2.638 465 G HA2 0.640 4.601 3.960 0.001 0.000 0.302 465 G HA3 0.640 4.601 3.960 0.001 0.000 0.302 465 G C -1.565 173.330 174.900 -0.009 0.000 1.365 465 G CA -0.512 44.637 45.100 0.082 0.000 0.987 465 G HN 1.240 nan 8.290 nan 0.000 0.495 466 V N 0.838 120.685 119.914 -0.111 0.000 2.409 466 V HA 0.723 4.844 4.120 0.001 0.000 0.291 466 V C 0.217 176.147 176.094 -0.273 0.000 1.020 466 V CA -0.717 61.439 62.300 -0.240 0.000 0.848 466 V CB 1.407 33.108 31.823 -0.202 0.000 0.990 466 V HN 1.140 nan 8.190 nan 0.000 0.430 467 A N 3.830 126.478 122.820 -0.287 0.000 2.360 467 A HA 0.797 5.118 4.320 0.001 0.000 0.309 467 A C 0.291 177.680 177.584 -0.326 0.000 1.311 467 A CA -0.180 51.689 52.037 -0.280 0.000 0.805 467 A CB 0.750 19.631 19.000 -0.198 0.000 1.144 467 A HN 0.992 nan 8.150 nan 0.000 0.486 468 G N 0.980 109.461 108.800 -0.531 0.000 2.348 468 G HA2 0.626 4.587 3.960 0.001 0.000 0.312 468 G HA3 0.626 4.587 3.960 0.001 0.000 0.312 468 G C 0.756 175.466 174.900 -0.317 0.000 1.126 468 G CA 0.122 44.890 45.100 -0.552 0.000 0.865 468 G HN 2.265 nan 8.290 nan 0.000 0.474 469 A N 1.057 123.618 122.820 -0.432 0.000 2.596 469 A HA -0.055 4.266 4.320 0.001 0.000 0.300 469 A C 1.216 178.635 177.584 -0.274 0.000 1.495 469 A CA 0.985 52.608 52.037 -0.689 0.000 0.769 469 A CB -2.079 16.742 19.000 -0.298 0.000 1.047 469 A HN 2.257 nan 8.150 nan 0.000 0.436 470 S N -1.051 114.567 115.700 -0.137 0.000 2.601 470 S HA 0.602 5.073 4.470 0.001 0.000 0.271 470 S C 0.196 174.777 174.600 -0.032 0.000 1.305 470 S CA -0.281 57.887 58.200 -0.053 0.000 1.022 470 S CB 1.702 64.859 63.200 -0.072 0.000 0.940 470 S HN 1.239 nan 8.310 nan 0.000 0.525 471 V N 3.505 123.334 119.914 -0.141 0.000 2.555 471 V HA 0.177 4.298 4.120 0.001 0.000 0.286 471 V C 0.823 176.777 176.094 -0.233 0.000 1.044 471 V CA -0.228 61.863 62.300 -0.349 0.000 1.026 471 V CB 0.976 32.248 31.823 -0.918 0.000 0.981 471 V HN 0.932 nan 8.190 nan 0.000 0.480 472 V N 2.094 121.860 119.914 -0.246 0.000 3.090 472 V HA 0.276 4.397 4.120 0.001 0.000 0.237 472 V C 0.025 176.014 176.094 -0.174 0.000 1.209 472 V CA 0.608 62.813 62.300 -0.158 0.000 1.209 472 V CB 0.716 32.465 31.823 -0.123 0.000 0.971 472 V HN 0.932 nan 8.190 nan 0.000 0.477 473 D N -1.892 118.378 120.400 -0.218 0.000 2.616 473 D HA 0.189 4.829 4.640 0.001 0.000 0.238 473 D C 0.079 176.313 176.300 -0.111 0.000 1.354 473 D CA -0.595 53.326 54.000 -0.130 0.000 0.970 473 D CB 0.983 41.752 40.800 -0.052 0.000 1.369 473 D HN 0.114 nan 8.370 nan 0.000 0.585 474 W N 2.273 123.577 121.300 0.006 0.000 2.338 474 W HA -0.109 4.551 4.660 -0.000 0.000 0.304 474 W C 1.966 178.516 176.519 0.051 0.000 1.212 474 W CA 0.599 57.948 57.345 0.007 0.000 1.264 474 W CB 0.134 29.583 29.460 -0.018 0.000 1.142 474 W HN 0.512 nan 8.180 nan 0.000 0.512 475 E N 0.089 120.444 120.200 0.258 0.000 2.023 475 E HA -0.279 4.072 4.350 0.001 0.000 0.196 475 E C 1.944 178.653 176.600 0.182 0.000 1.003 475 E CA 1.590 58.099 56.400 0.180 0.000 0.809 475 E CB -0.473 29.291 29.700 0.106 0.000 0.755 475 E HN 0.393 nan 8.360 nan 0.000 0.449 476 E N 0.600 120.865 120.200 0.109 0.000 2.106 476 E HA -0.181 4.170 4.350 0.001 0.000 0.192 476 E C 2.141 178.793 176.600 0.086 0.000 0.984 476 E CA 0.637 57.083 56.400 0.077 0.000 0.806 476 E CB -0.015 29.697 29.700 0.020 0.000 0.750 476 E HN 0.170 nan 8.360 nan 0.000 0.458 477 M N -0.174 119.478 119.600 0.087 0.000 2.117 477 M HA -0.224 4.256 4.480 0.001 0.000 0.262 477 M C 2.073 178.473 176.300 0.166 0.000 1.065 477 M CA 1.531 56.881 55.300 0.083 0.000 1.114 477 M CB -0.239 32.384 32.600 0.039 0.000 1.361 477 M HN 0.219 nan 8.290 nan 0.000 0.408 478 Y N 1.385 121.763 120.300 0.130 0.000 2.097 478 Y HA -0.293 4.257 4.550 0.001 0.000 0.282 478 Y C 2.334 178.292 175.900 0.097 0.000 1.152 478 Y CA 2.531 60.715 58.100 0.141 0.000 1.136 478 Y CB -0.748 37.797 38.460 0.141 0.000 0.975 478 Y HN 0.230 nan 8.280 nan 0.000 0.498 479 E N -0.476 119.824 120.200 0.168 0.000 2.118 479 E HA -0.229 4.122 4.350 0.001 0.000 0.195 479 E C 2.203 178.793 176.600 -0.016 0.000 0.992 479 E CA 1.424 57.861 56.400 0.062 0.000 0.804 479 E CB -1.081 28.681 29.700 0.103 0.000 0.741 479 E HN 0.549 nan 8.360 nan 0.000 0.458 480 L N -0.126 121.097 121.223 -0.000 0.000 2.591 480 L HA 0.377 4.717 4.340 0.001 0.000 0.228 480 L C 1.403 178.256 176.870 -0.029 0.000 1.133 480 L CA 0.682 55.512 54.840 -0.017 0.000 0.880 480 L CB -0.497 41.554 42.059 -0.013 0.000 1.033 480 L HN 0.070 nan 8.230 nan 0.000 0.450 481 S N 0.187 115.861 115.700 -0.042 0.000 2.616 481 S HA 0.486 4.956 4.470 0.001 0.000 0.277 481 S C -0.095 174.508 174.600 0.006 0.000 1.234 481 S CA -0.291 57.911 58.200 0.003 0.000 1.028 481 S CB 1.248 64.491 63.200 0.072 0.000 0.988 481 S HN 0.766 nan 8.310 nan 0.000 0.522 482 D N 0.911 121.366 120.400 0.093 0.000 2.384 482 D HA 0.356 4.997 4.640 0.001 0.000 0.244 482 D C 1.189 177.509 176.300 0.034 0.000 1.251 482 D CA -0.242 53.794 54.000 0.061 0.000 0.961 482 D CB 0.188 41.038 40.800 0.084 0.000 1.116 482 D HN 0.373 nan 8.370 nan 0.000 0.484 483 A N 0.492 123.298 122.820 -0.024 0.000 1.917 483 A HA -0.054 4.267 4.320 0.001 0.000 0.219 483 A C 2.221 179.770 177.584 -0.058 0.000 1.182 483 A CA 2.868 54.877 52.037 -0.048 0.000 0.633 483 A CB -1.422 17.538 19.000 -0.066 0.000 0.819 483 A HN 0.745 nan 8.150 nan 0.000 0.448 484 A N -1.336 121.376 122.820 -0.180 0.000 1.877 484 A HA -0.029 4.291 4.320 0.001 0.000 0.216 484 A C 2.012 179.533 177.584 -0.105 0.000 1.186 484 A CA 1.592 53.370 52.037 -0.431 0.000 0.620 484 A CB -0.739 17.519 19.000 -1.237 0.000 0.822 484 A HN 0.500 nan 8.150 nan 0.000 0.443 485 F N -0.458 119.568 119.950 0.127 0.000 2.293 485 F HA -0.023 4.505 4.527 0.001 0.000 0.297 485 F C 2.574 178.530 175.800 0.261 0.000 1.089 485 F CA 1.144 59.321 58.000 0.295 0.000 1.377 485 F CB -0.139 38.989 39.000 0.213 0.000 1.051 485 F HN 0.084 nan 8.300 nan 0.000 0.511 486 R N 0.182 120.827 120.500 0.241 0.000 2.083 486 R HA -0.220 4.121 4.340 0.001 0.000 0.237 486 R C 2.139 178.632 176.300 0.320 0.000 1.137 486 R CA 1.588 57.755 56.100 0.111 0.000 0.951 486 R CB -0.767 29.395 30.300 -0.231 0.000 0.851 486 R HN 0.305 nan 8.270 nan 0.000 0.434 487 N N 0.442 119.294 118.700 0.253 0.000 2.188 487 N HA -0.185 4.555 4.740 0.001 0.000 0.184 487 N C 1.653 177.360 175.510 0.328 0.000 1.018 487 N CA 1.150 54.358 53.050 0.265 0.000 0.858 487 N CB -0.053 38.567 38.487 0.221 0.000 0.989 487 N HN 0.088 nan 8.380 nan 0.000 0.426 488 F N 1.526 121.616 119.950 0.232 0.000 2.146 488 F HA 0.050 4.578 4.527 0.001 0.000 0.298 488 F C 2.329 178.231 175.800 0.170 0.000 1.096 488 F CA 0.592 58.714 58.000 0.202 0.000 1.275 488 F CB -0.403 38.700 39.000 0.171 0.000 1.008 488 F HN -0.039 nan 8.300 nan 0.000 0.480 489 I N 0.286 121.042 120.570 0.310 0.000 2.163 489 I HA -0.330 3.841 4.170 0.001 0.000 0.243 489 I C 2.245 178.353 176.117 -0.016 0.000 1.085 489 I CA 1.762 63.170 61.300 0.181 0.000 1.347 489 I CB -0.327 37.947 38.000 0.456 0.000 1.044 489 I HN 0.171 nan 8.210 nan 0.000 0.408 490 E N -0.117 120.142 120.200 0.098 0.000 2.085 490 E HA -0.294 4.056 4.350 0.001 0.000 0.194 490 E C 2.209 178.770 176.600 -0.065 0.000 0.994 490 E CA 1.244 57.650 56.400 0.010 0.000 0.801 490 E CB -0.105 29.660 29.700 0.108 0.000 0.743 490 E HN 0.567 nan 8.360 nan 0.000 0.453 491 Q N -0.061 119.702 119.800 -0.062 0.000 2.079 491 Q HA -0.156 4.185 4.340 0.001 0.000 0.200 491 Q C 2.149 178.038 176.000 -0.186 0.000 0.974 491 Q CA 0.763 56.516 55.803 -0.083 0.000 0.840 491 Q CB -0.009 28.706 28.738 -0.039 0.000 0.898 491 Q HN 0.196 nan 8.270 nan 0.000 0.430 492 L N 0.447 121.458 121.223 -0.354 0.000 2.093 492 L HA -0.103 4.238 4.340 0.001 0.000 0.208 492 L C 2.339 178.990 176.870 -0.367 0.000 1.085 492 L CA 2.060 56.652 54.840 -0.413 0.000 0.755 492 L CB -1.047 40.664 42.059 -0.580 0.000 0.904 492 L HN 0.357 nan 8.230 nan 0.000 0.435 493 T N -4.158 110.161 114.554 -0.392 0.000 3.107 493 T HA 0.247 4.598 4.350 0.001 0.000 0.249 493 T C 1.324 175.897 174.700 -0.212 0.000 1.096 493 T CA 0.332 62.209 62.100 -0.371 0.000 1.012 493 T CB -0.238 68.355 68.868 -0.459 0.000 0.977 493 T HN 0.416 nan 8.240 nan 0.000 0.527 494 G N 1.318 110.024 108.800 -0.157 0.000 2.283 494 G HA2 0.049 4.009 3.960 0.001 0.000 0.280 494 G HA3 0.049 4.009 3.960 0.001 0.000 0.280 494 G C 1.076 175.925 174.900 -0.084 0.000 1.029 494 G CA 0.240 45.285 45.100 -0.091 0.000 0.840 494 G HN 1.717 nan 8.290 nan 0.000 0.505 495 G N -1.650 107.087 108.800 -0.104 0.000 2.187 495 G HA2 -0.020 3.941 3.960 0.001 0.000 0.261 495 G HA3 -0.020 3.941 3.960 0.001 0.000 0.261 495 G C 0.506 175.341 174.900 -0.109 0.000 1.000 495 G CA 1.292 46.334 45.100 -0.097 0.000 0.718 495 G HN 2.171 nan 8.290 nan 0.000 0.519 496 S N -0.914 114.711 115.700 -0.124 0.000 2.422 496 S HA 0.560 5.031 4.470 0.001 0.000 0.308 496 S C 1.427 175.956 174.600 -0.118 0.000 1.097 496 S CA 0.200 58.339 58.200 -0.101 0.000 1.099 496 S CB 1.156 64.308 63.200 -0.080 0.000 0.976 496 S HN 0.522 nan 8.310 nan 0.000 0.471 497 R N 3.598 124.037 120.500 -0.102 0.000 2.120 497 R HA -0.053 4.288 4.340 0.001 0.000 0.234 497 R C 2.170 178.443 176.300 -0.045 0.000 1.123 497 R CA 2.307 58.355 56.100 -0.087 0.000 0.975 497 R CB -0.591 29.666 30.300 -0.072 0.000 0.866 497 R HN 0.773 nan 8.270 nan 0.000 0.446 498 E N 0.979 121.158 120.200 -0.035 0.000 2.077 498 E HA -0.141 4.210 4.350 0.001 0.000 0.193 498 E C 1.853 178.452 176.600 -0.003 0.000 0.989 498 E CA 1.460 57.853 56.400 -0.011 0.000 0.800 498 E CB -0.561 29.134 29.700 -0.008 0.000 0.746 498 E HN 0.315 nan 8.360 nan 0.000 0.452 499 I N 0.275 120.825 120.570 -0.033 0.000 2.226 499 I HA -0.235 3.936 4.170 0.001 0.000 0.245 499 I C 2.798 178.895 176.117 -0.033 0.000 1.100 499 I CA 1.600 62.874 61.300 -0.044 0.000 1.374 499 I CB -0.973 36.961 38.000 -0.111 0.000 1.057 499 I HN 0.349 nan 8.210 nan 0.000 0.413 500 M N 0.150 119.711 119.600 -0.065 0.000 2.106 500 M HA -0.295 4.186 4.480 0.001 0.000 0.259 500 M C 2.763 179.184 176.300 0.202 0.000 1.068 500 M CA 2.869 58.195 55.300 0.044 0.000 1.100 500 M CB -0.531 32.075 32.600 0.009 0.000 1.351 500 M HN 0.349 nan 8.290 nan 0.000 0.404 501 R N -0.236 120.329 120.500 0.108 0.000 2.052 501 R HA -0.014 4.327 4.340 0.001 0.000 0.224 501 R C 2.077 178.445 176.300 0.114 0.000 1.149 501 R CA 1.667 57.824 56.100 0.094 0.000 0.962 501 R CB -1.780 28.543 30.300 0.039 0.000 0.856 501 R HN 0.582 nan 8.270 nan 0.000 0.433 502 S N 0.491 116.260 115.700 0.114 0.000 2.442 502 S HA -0.103 4.368 4.470 0.001 0.000 0.236 502 S C 1.375 176.129 174.600 0.256 0.000 1.007 502 S CA 1.062 59.361 58.200 0.165 0.000 0.965 502 S CB -0.053 63.217 63.200 0.116 0.000 0.773 502 S HN 0.519 nan 8.310 nan 0.000 0.504 503 R N 1.351 122.009 120.500 0.263 0.000 2.427 503 R HA 0.398 4.738 4.340 0.001 0.000 0.262 503 R C -0.323 176.273 176.300 0.492 0.000 0.943 503 R CA -0.029 56.280 56.100 0.348 0.000 1.081 503 R CB -0.295 30.210 30.300 0.342 0.000 1.166 503 R HN 0.286 nan 8.270 nan 0.000 0.534 504 S N 2.760 118.680 115.700 0.367 0.000 2.438 504 S HA 0.229 4.699 4.470 0.001 0.000 0.293 504 S C -1.654 173.031 174.600 0.140 0.000 1.141 504 S CA -1.203 57.140 58.200 0.238 0.000 1.080 504 S CB 1.824 65.104 63.200 0.135 0.000 0.978 504 S HN -0.001 nan 8.310 nan 0.000 0.479 505 P HA -0.045 nan 4.420 nan 0.000 0.220 505 P C 1.304 178.600 177.300 -0.006 0.000 1.148 505 P CA 0.496 63.626 63.100 0.050 0.000 0.803 505 P CB 0.072 31.738 31.700 -0.058 0.000 0.782 506 I N -0.230 120.310 120.570 -0.050 0.000 2.423 506 I HA -0.220 3.951 4.170 0.001 0.000 0.254 506 I C 1.237 177.286 176.117 -0.112 0.000 1.151 506 I CA 1.301 62.552 61.300 -0.082 0.000 1.421 506 I CB -0.154 37.795 38.000 -0.084 0.000 1.079 506 I HN -0.108 nan 8.210 nan 0.000 0.431 507 N N -0.176 118.414 118.700 -0.183 0.000 2.461 507 N HA -0.035 4.706 4.740 0.001 0.000 0.188 507 N C 0.405 175.614 175.510 -0.502 0.000 1.134 507 N CA 0.725 53.567 53.050 -0.347 0.000 0.878 507 N CB -0.027 38.208 38.487 -0.420 0.000 0.972 507 N HN 0.503 nan 8.380 nan 0.000 0.456 508 H N -1.029 118.025 119.070 -0.025 0.000 2.750 508 H HA 0.234 4.791 4.556 0.002 0.000 0.252 508 H C 1.422 176.729 175.328 -0.034 0.000 1.176 508 H CA -0.177 55.855 56.048 -0.027 0.000 0.987 508 H CB 0.355 30.100 29.762 -0.029 0.000 1.810 508 H HN -0.109 nan 8.280 nan 0.000 0.630 509 V N 1.533 121.463 119.914 0.027 0.000 2.392 509 V HA -0.276 3.845 4.120 0.001 0.000 0.249 509 V C 2.341 178.442 176.094 0.013 0.000 1.059 509 V CA 2.346 64.645 62.300 -0.002 0.000 1.051 509 V CB -0.248 31.549 31.823 -0.044 0.000 0.658 509 V HN 0.605 nan 8.190 nan 0.000 0.455 510 D N 0.317 120.729 120.400 0.020 0.000 2.228 510 D HA -0.276 4.365 4.640 0.001 0.000 0.203 510 D C 1.914 178.230 176.300 0.028 0.000 0.988 510 D CA 1.135 55.149 54.000 0.023 0.000 0.864 510 D CB -0.385 40.429 40.800 0.024 0.000 0.928 510 D HN 0.399 nan 8.370 nan 0.000 0.469 511 R N 0.374 120.896 120.500 0.036 0.000 2.235 511 R HA 0.159 4.499 4.340 0.001 0.000 0.213 511 R C 1.065 177.376 176.300 0.018 0.000 1.059 511 R CA -0.026 56.088 56.100 0.023 0.000 0.997 511 R CB -0.046 30.264 30.300 0.016 0.000 0.884 511 R HN 0.337 nan 8.270 nan 0.000 0.462 512 I N 2.023 122.606 120.570 0.022 0.000 2.618 512 I HA -0.067 4.104 4.170 0.001 0.000 0.284 512 I C 1.322 177.461 176.117 0.037 0.000 1.146 512 I CA 0.601 61.917 61.300 0.026 0.000 1.425 512 I CB 0.623 38.635 38.000 0.021 0.000 1.383 512 I HN -0.168 nan 8.210 nan 0.000 0.562 513 K N 4.053 124.479 120.400 0.044 0.000 2.481 513 K HA 0.261 4.582 4.320 0.001 0.000 0.210 513 K C -0.189 176.450 176.600 0.065 0.000 1.161 513 K CA 0.105 56.420 56.287 0.047 0.000 1.023 513 K CB 0.697 33.217 32.500 0.033 0.000 0.971 513 K HN 0.503 nan 8.250 nan 0.000 0.577 514 E N 1.210 121.461 120.200 0.084 0.000 2.202 514 E HA 0.307 4.658 4.350 0.001 0.000 0.272 514 E C -2.661 174.030 176.600 0.152 0.000 0.951 514 E CA -2.286 54.184 56.400 0.116 0.000 0.813 514 E CB 1.120 30.901 29.700 0.136 0.000 1.151 514 E HN -0.171 nan 8.360 nan 0.000 0.398 515 P HA 0.022 nan 4.420 nan 0.000 0.264 515 P C -1.192 176.320 177.300 0.353 0.000 1.183 515 P CA -0.139 63.133 63.100 0.286 0.000 0.763 515 P CB 0.330 32.219 31.700 0.316 0.000 0.807 516 L N 2.602 123.970 121.223 0.241 0.000 2.410 516 L HA 0.749 5.090 4.340 0.001 0.000 0.270 516 L C -1.183 175.566 176.870 -0.202 0.000 0.983 516 L CA -0.879 53.981 54.840 0.033 0.000 0.822 516 L CB 1.840 43.916 42.059 0.029 0.000 1.285 516 L HN 0.419 nan 8.230 nan 0.000 0.409 517 A N 6.043 128.502 122.820 -0.601 0.000 2.287 517 A HA 0.756 5.077 4.320 0.001 0.000 0.317 517 A C -1.201 176.205 177.584 -0.296 0.000 1.220 517 A CA -0.483 51.178 52.037 -0.625 0.000 0.835 517 A CB 0.492 18.733 19.000 -1.265 0.000 1.180 517 A HN 0.715 nan 8.150 nan 0.000 0.500 518 L N 3.230 124.379 121.223 -0.125 0.000 2.295 518 L HA 0.604 4.945 4.340 0.001 0.000 0.285 518 L C -0.615 176.258 176.870 0.005 0.000 1.035 518 L CA -0.269 54.526 54.840 -0.074 0.000 0.806 518 L CB 1.401 43.435 42.059 -0.042 0.000 1.214 518 L HN 0.579 nan 8.230 nan 0.000 0.426 519 I N 1.960 122.524 120.570 -0.010 0.000 2.582 519 I HA 0.402 4.573 4.170 0.001 0.000 0.292 519 I C -1.061 175.098 176.117 0.069 0.000 1.066 519 I CA -0.550 60.786 61.300 0.061 0.000 1.053 519 I CB 2.184 40.198 38.000 0.023 0.000 1.241 519 I HN 0.587 nan 8.210 nan 0.000 0.421 520 H N 5.560 124.655 119.070 0.041 0.000 3.179 520 H HA 0.294 4.851 4.556 0.001 0.000 0.331 520 H C -2.769 172.584 175.328 0.042 0.000 1.013 520 H CA -1.262 54.805 56.048 0.032 0.000 1.430 520 H CB 2.552 32.314 29.762 -0.000 0.000 1.895 520 H HN 0.229 nan 8.280 nan 0.000 0.468 521 P HA -0.035 nan 4.420 nan 0.000 0.267 521 P C 0.314 177.726 177.300 0.187 0.000 1.205 521 P CA -0.016 63.164 63.100 0.133 0.000 0.765 521 P CB 0.799 32.545 31.700 0.077 0.000 0.828 522 Q N 2.530 122.400 119.800 0.115 0.000 2.291 522 Q HA -0.115 4.225 4.340 0.001 0.000 0.205 522 Q C 0.414 176.450 176.000 0.060 0.000 0.970 522 Q CA 1.391 57.240 55.803 0.076 0.000 0.876 522 Q CB -0.429 28.334 28.738 0.041 0.000 0.935 522 Q HN 0.276 nan 8.270 nan 0.000 0.455 523 N N 0.629 119.370 118.700 0.068 0.000 2.238 523 N HA 0.265 5.006 4.740 0.001 0.000 0.222 523 N C -0.789 174.760 175.510 0.064 0.000 1.133 523 N CA 0.413 53.492 53.050 0.048 0.000 0.854 523 N CB 0.910 39.417 38.487 0.034 0.000 1.041 523 N HN 0.350 nan 8.380 nan 0.000 0.510 524 A N 0.763 123.650 122.820 0.111 0.000 2.566 524 A HA 0.139 4.460 4.320 0.001 0.000 0.245 524 A C 1.328 178.944 177.584 0.054 0.000 1.056 524 A CA 0.249 52.362 52.037 0.126 0.000 0.757 524 A CB 0.174 19.302 19.000 0.213 0.000 0.979 524 A HN 0.331 nan 8.150 nan 0.000 0.508 525 S N 2.425 118.121 115.700 -0.007 0.000 2.502 525 S HA 0.025 4.496 4.470 0.001 0.000 0.215 525 S C 1.540 175.997 174.600 -0.238 0.000 1.009 525 S CA 0.146 58.299 58.200 -0.079 0.000 0.908 525 S CB 0.045 63.215 63.200 -0.051 0.000 0.801 525 S HN 0.784 nan 8.310 nan 0.000 0.505 526 R N 2.052 122.346 120.500 -0.343 0.000 2.048 526 R HA 0.092 4.433 4.340 0.001 0.000 0.224 526 R C 0.519 176.612 176.300 -0.346 0.000 1.163 526 R CA 1.400 57.076 56.100 -0.707 0.000 0.956 526 R CB -0.922 28.913 30.300 -0.774 0.000 0.849 526 R HN 0.506 nan 8.270 nan 0.000 0.435 527 T N 1.587 116.069 114.554 -0.121 0.000 2.832 527 T HA 0.364 4.715 4.350 0.001 0.000 0.313 527 T C -2.483 172.307 174.700 0.150 0.000 1.035 527 T CA -2.233 59.873 62.100 0.010 0.000 0.950 527 T CB 1.524 70.429 68.868 0.062 0.000 0.984 527 T HN -0.059 nan 8.240 nan 0.000 0.486 528 P HA 0.276 nan 4.420 nan 0.000 0.279 528 P C 0.794 177.987 177.300 -0.179 0.000 1.282 528 P CA -0.847 62.244 63.100 -0.015 0.000 0.788 528 P CB 1.356 33.025 31.700 -0.052 0.000 1.139 529 L N -0.519 120.565 121.223 -0.232 0.000 2.249 529 L HA -0.088 4.252 4.340 0.001 0.000 0.207 529 L C 2.815 179.542 176.870 -0.238 0.000 1.090 529 L CA 1.716 56.336 54.840 -0.366 0.000 0.802 529 L CB -0.939 40.985 42.059 -0.225 0.000 0.947 529 L HN 0.384 nan 8.230 nan 0.000 0.453 530 K N 0.911 121.223 120.400 -0.147 0.000 2.063 530 K HA -0.175 4.145 4.320 0.001 0.000 0.208 530 K C -0.231 176.304 176.600 -0.109 0.000 1.048 530 K CA 1.819 58.042 56.287 -0.105 0.000 0.928 530 K CB -2.238 30.221 32.500 -0.069 0.000 0.713 530 K HN 0.334 nan 8.250 nan 0.000 0.442 531 P HA -0.059 nan 4.420 nan 0.000 0.217 531 P C 1.497 178.714 177.300 -0.138 0.000 1.151 531 P CA 0.504 63.538 63.100 -0.110 0.000 0.828 531 P CB 0.015 31.653 31.700 -0.103 0.000 0.788 532 L N -0.816 120.295 121.223 -0.187 0.000 2.046 532 L HA -0.138 4.203 4.340 0.001 0.000 0.208 532 L C 2.190 178.960 176.870 -0.167 0.000 1.077 532 L CA 1.699 56.422 54.840 -0.195 0.000 0.747 532 L CB -1.133 40.752 42.059 -0.288 0.000 0.896 532 L HN -0.138 nan 8.230 nan 0.000 0.432 533 L N -1.062 120.074 121.223 -0.146 0.000 2.083 533 L HA -0.215 4.126 4.340 0.001 0.000 0.209 533 L C 2.726 179.537 176.870 -0.099 0.000 1.083 533 L CA 1.366 56.142 54.840 -0.105 0.000 0.752 533 L CB -0.574 41.436 42.059 -0.081 0.000 0.899 533 L HN 0.281 nan 8.230 nan 0.000 0.433 534 R N 0.224 120.664 120.500 -0.100 0.000 2.092 534 R HA -0.171 4.169 4.340 0.001 0.000 0.231 534 R C 2.303 178.534 176.300 -0.116 0.000 1.119 534 R CA 1.006 57.052 56.100 -0.090 0.000 0.970 534 R CB -0.151 30.103 30.300 -0.076 0.000 0.864 534 R HN 0.162 nan 8.270 nan 0.000 0.440 535 L N 0.759 121.895 121.223 -0.146 0.000 2.012 535 L HA -0.167 4.174 4.340 0.001 0.000 0.210 535 L C 2.004 178.709 176.870 -0.274 0.000 1.073 535 L CA 1.839 56.565 54.840 -0.190 0.000 0.748 535 L CB -0.344 41.596 42.059 -0.199 0.000 0.891 535 L HN 0.256 nan 8.230 nan 0.000 0.431 536 M N -0.995 118.426 119.600 -0.299 0.000 2.080 536 M HA -0.158 4.322 4.480 0.001 0.000 0.260 536 M C 2.209 178.394 176.300 -0.191 0.000 1.068 536 M CA 1.831 56.892 55.300 -0.399 0.000 1.109 536 M CB -1.230 31.256 32.600 -0.190 0.000 1.342 536 M HN 0.488 nan 8.290 nan 0.000 0.405 537 G N -0.093 108.649 108.800 -0.096 0.000 2.476 537 G HA2 -0.274 3.687 3.960 0.001 0.000 0.218 537 G HA3 -0.274 3.687 3.960 0.001 0.000 0.218 537 G C 1.418 176.288 174.900 -0.050 0.000 1.164 537 G CA 1.166 46.240 45.100 -0.044 0.000 0.768 537 G HN 0.326 nan 8.290 nan 0.000 0.560 538 E N 0.410 120.557 120.200 -0.089 0.000 2.047 538 E HA 0.006 4.357 4.350 0.001 0.000 0.191 538 E C 2.742 179.298 176.600 -0.073 0.000 0.987 538 E CA 0.472 56.826 56.400 -0.076 0.000 0.799 538 E CB -0.541 29.102 29.700 -0.096 0.000 0.752 538 E HN 0.465 nan 8.360 nan 0.000 0.449 539 L N -0.061 121.074 121.223 -0.145 0.000 2.012 539 L HA -0.226 4.115 4.340 0.001 0.000 0.210 539 L C 2.545 179.446 176.870 0.053 0.000 1.073 539 L CA 1.063 55.831 54.840 -0.121 0.000 0.748 539 L CB -0.531 41.252 42.059 -0.459 0.000 0.891 539 L HN 0.207 nan 8.230 nan 0.000 0.431 540 L N -0.032 121.251 121.223 0.100 0.000 1.994 540 L HA -0.161 4.180 4.340 0.001 0.000 0.208 540 L C 2.635 179.550 176.870 0.074 0.000 1.071 540 L CA 2.071 57.008 54.840 0.161 0.000 0.745 540 L CB -0.699 41.458 42.059 0.164 0.000 0.892 540 L HN 0.159 nan 8.230 nan 0.000 0.431 541 A N -0.648 122.193 122.820 0.035 0.000 1.978 541 A HA -0.167 4.154 4.320 0.001 0.000 0.220 541 A C 2.055 179.651 177.584 0.019 0.000 1.170 541 A CA 1.448 53.497 52.037 0.019 0.000 0.636 541 A CB -0.499 18.503 19.000 0.002 0.000 0.810 541 A HN 0.489 nan 8.150 nan 0.000 0.448 542 R N -0.966 119.546 120.500 0.019 0.000 2.334 542 R HA 0.163 4.504 4.340 0.001 0.000 0.220 542 R C 1.073 177.395 176.300 0.037 0.000 0.917 542 R CA 0.628 56.741 56.100 0.020 0.000 1.073 542 R CB -0.702 29.604 30.300 0.010 0.000 1.056 542 R HN 0.786 nan 8.270 nan 0.000 0.506 543 G N 2.268 111.100 108.800 0.053 0.000 2.221 543 G HA2 -0.258 3.702 3.960 0.001 0.000 0.265 543 G HA3 -0.258 3.702 3.960 0.001 0.000 0.265 543 G C -0.190 174.757 174.900 0.079 0.000 1.041 543 G CA 0.160 45.297 45.100 0.061 0.000 0.807 543 G HN 0.101 nan 8.290 nan 0.000 0.502 544 K N 0.272 120.739 120.400 0.112 0.000 2.118 544 K HA 0.575 4.896 4.320 0.001 0.000 0.267 544 K C 0.398 177.132 176.600 0.222 0.000 0.991 544 K CA -0.340 56.029 56.287 0.137 0.000 0.916 544 K CB 1.203 33.769 32.500 0.110 0.000 1.041 544 K HN 0.088 nan 8.250 nan 0.000 0.455 545 T N 3.412 118.074 114.554 0.181 0.000 2.806 545 T HA 0.601 4.952 4.350 0.001 0.000 0.290 545 T C -0.514 174.333 174.700 0.246 0.000 0.966 545 T CA -0.336 61.852 62.100 0.148 0.000 1.060 545 T CB -0.128 68.793 68.868 0.089 0.000 0.927 545 T HN 0.457 nan 8.240 nan 0.000 0.485 546 F N 0.795 120.758 119.950 0.022 0.000 2.693 546 F HA 0.712 5.240 4.527 0.002 0.000 0.309 546 F C -0.923 174.862 175.800 -0.025 0.000 1.129 546 F CA -1.310 56.687 58.000 -0.005 0.000 0.948 546 F CB 1.294 40.268 39.000 -0.044 0.000 1.315 546 F HN 0.538 nan 8.300 nan 0.000 0.447 547 E N 2.053 122.259 120.200 0.010 0.000 2.299 547 E HA 0.889 5.240 4.350 0.001 0.000 0.265 547 E C -1.664 174.915 176.600 -0.035 0.000 0.911 547 E CA -1.526 54.794 56.400 -0.133 0.000 0.789 547 E CB 2.459 32.124 29.700 -0.058 0.000 1.246 547 E HN 1.128 nan 8.360 nan 0.000 0.427 548 A N 1.851 124.512 122.820 -0.265 0.000 2.486 548 A HA 0.529 4.850 4.320 0.001 0.000 0.300 548 A C -1.522 175.682 177.584 -0.634 0.000 1.048 548 A CA -0.801 51.094 52.037 -0.236 0.000 0.696 548 A CB 1.425 20.454 19.000 0.048 0.000 1.278 548 A HN 0.690 nan 8.150 nan 0.000 0.405 549 H N 1.950 121.041 119.070 0.036 0.000 2.906 549 H HA 0.412 4.969 4.556 0.002 0.000 0.324 549 H C -1.307 174.050 175.328 0.049 0.000 0.973 549 H CA -0.262 55.805 56.048 0.032 0.000 1.321 549 H CB 1.323 31.094 29.762 0.016 0.000 1.535 549 H HN 0.521 nan 8.280 nan 0.000 0.518 550 I N 3.652 124.295 120.570 0.123 0.000 2.355 550 I HA 0.189 4.360 4.170 0.001 0.000 0.288 550 I C 0.233 176.406 176.117 0.094 0.000 0.999 550 I CA -0.649 60.713 61.300 0.103 0.000 1.163 550 I CB 1.293 39.326 38.000 0.054 0.000 1.316 550 I HN 0.229 nan 8.210 nan 0.000 0.454 551 I N 7.912 128.540 120.570 0.097 0.000 2.353 551 I HA 0.376 4.547 4.170 0.001 0.000 0.293 551 I C -2.045 174.108 176.117 0.060 0.000 0.992 551 I CA -2.060 59.284 61.300 0.073 0.000 1.268 551 I CB 1.315 39.355 38.000 0.066 0.000 1.387 551 I HN 0.452 nan 8.210 nan 0.000 0.478 552 P HA 0.299 nan 4.420 nan 0.000 0.282 552 P C -0.477 176.844 177.300 0.035 0.000 1.249 552 P CA 0.018 63.140 63.100 0.037 0.000 0.806 552 P CB 0.597 32.315 31.700 0.030 0.000 0.984 553 D N -1.212 119.207 120.400 0.031 0.000 2.737 553 D HA -0.159 4.482 4.640 0.001 0.000 0.233 553 D C -0.098 176.223 176.300 0.034 0.000 1.155 553 D CA 1.688 55.705 54.000 0.028 0.000 0.667 553 D CB -1.487 39.326 40.800 0.022 0.000 1.060 553 D HN 0.648 nan 8.370 nan 0.000 0.427 554 A N -1.261 121.585 122.820 0.043 0.000 2.587 554 A HA 0.903 5.224 4.320 0.001 0.000 0.293 554 A C 0.521 178.142 177.584 0.060 0.000 1.087 554 A CA 0.032 52.098 52.037 0.048 0.000 0.692 554 A CB 2.108 21.135 19.000 0.045 0.000 1.291 554 A HN 0.323 nan 8.150 nan 0.000 0.407 555 G N -1.181 107.659 108.800 0.066 0.000 3.107 555 G HA2 0.419 4.380 3.960 0.001 0.000 0.233 555 G HA3 0.419 4.380 3.960 0.001 0.000 0.233 555 G C 0.353 175.308 174.900 0.091 0.000 1.168 555 G CA 0.423 45.577 45.100 0.091 0.000 0.801 555 G HN 0.875 nan 8.290 nan 0.000 0.605 556 H N -0.163 118.924 119.070 0.029 0.000 2.395 556 H HA 0.366 4.923 4.556 0.001 0.000 0.299 556 H C 1.767 177.109 175.328 0.024 0.000 1.070 556 H CA 1.473 57.534 56.048 0.021 0.000 1.356 556 H CB 0.056 29.834 29.762 0.026 0.000 1.401 556 H HN 0.464 nan 8.280 nan 0.000 0.524 557 A N 1.681 124.604 122.820 0.173 0.000 2.798 557 A HA 0.295 4.616 4.320 0.001 0.000 0.316 557 A C -0.226 177.403 177.584 0.075 0.000 1.506 557 A CA -0.521 51.593 52.037 0.128 0.000 1.162 557 A CB -0.977 18.129 19.000 0.177 0.000 1.138 557 A HN 0.403 nan 8.150 nan 0.000 0.532 558 I N 2.151 122.735 120.570 0.023 0.000 2.452 558 I HA 0.135 4.306 4.170 0.001 0.000 0.287 558 I C 0.611 176.769 176.117 0.069 0.000 1.079 558 I CA -0.376 60.944 61.300 0.033 0.000 1.387 558 I CB 0.469 38.470 38.000 0.003 0.000 1.404 558 I HN 0.730 nan 8.210 nan 0.000 0.522 559 N N 3.856 122.614 118.700 0.097 0.000 2.197 559 N HA 0.048 4.789 4.740 0.001 0.000 0.228 559 N C -0.107 175.510 175.510 0.180 0.000 1.212 559 N CA -0.294 52.838 53.050 0.137 0.000 0.883 559 N CB 0.567 39.111 38.487 0.096 0.000 1.107 559 N HN 0.721 nan 8.380 nan 0.000 0.519 560 T N -3.912 110.750 114.554 0.181 0.000 2.901 560 T HA 0.315 4.665 4.350 0.001 0.000 0.293 560 T C 0.892 175.743 174.700 0.252 0.000 1.084 560 T CA -0.843 61.371 62.100 0.191 0.000 1.008 560 T CB 1.917 70.834 68.868 0.083 0.000 1.170 560 T HN -0.149 nan 8.240 nan 0.000 0.509 561 M N 0.939 120.711 119.600 0.287 0.000 2.175 561 M HA -0.032 4.448 4.480 0.001 0.000 0.264 561 M C 2.316 178.676 176.300 0.101 0.000 1.063 561 M CA 2.585 58.025 55.300 0.234 0.000 1.119 561 M CB -1.318 31.425 32.600 0.238 0.000 1.377 561 M HN 1.035 nan 8.290 nan 0.000 0.415 562 E N 0.677 120.922 120.200 0.074 0.000 2.077 562 E HA -0.232 4.119 4.350 0.001 0.000 0.193 562 E C 1.488 178.103 176.600 0.025 0.000 0.989 562 E CA 1.904 58.327 56.400 0.037 0.000 0.800 562 E CB -0.959 28.759 29.700 0.029 0.000 0.746 562 E HN 0.647 nan 8.360 nan 0.000 0.452 563 D N -0.330 120.093 120.400 0.039 0.000 2.162 563 D HA 0.124 4.764 4.640 0.001 0.000 0.203 563 D C 2.262 178.570 176.300 0.014 0.000 0.967 563 D CA 1.405 55.422 54.000 0.027 0.000 0.840 563 D CB -0.380 40.443 40.800 0.038 0.000 0.972 563 D HN 0.456 nan 8.370 nan 0.000 0.482 564 A N 0.876 123.712 122.820 0.027 0.000 1.902 564 A HA -0.141 4.180 4.320 0.001 0.000 0.217 564 A C 2.501 180.056 177.584 -0.048 0.000 1.181 564 A CA 1.216 53.258 52.037 0.009 0.000 0.623 564 A CB -0.790 18.220 19.000 0.015 0.000 0.818 564 A HN 0.125 nan 8.150 nan 0.000 0.443 565 V N 0.318 120.205 119.914 -0.046 0.000 2.255 565 V HA -0.312 3.809 4.120 0.001 0.000 0.247 565 V C 2.435 178.449 176.094 -0.133 0.000 1.051 565 V CA 2.449 64.690 62.300 -0.098 0.000 1.018 565 V CB -0.739 31.045 31.823 -0.065 0.000 0.641 565 V HN 0.561 nan 8.190 nan 0.000 0.445 566 K N 0.041 120.391 120.400 -0.083 0.000 2.211 566 K HA -0.151 4.170 4.320 0.001 0.000 0.204 566 K C 2.007 178.556 176.600 -0.085 0.000 1.047 566 K CA 1.965 58.203 56.287 -0.082 0.000 0.935 566 K CB -0.351 32.133 32.500 -0.027 0.000 0.728 566 K HN 0.726 nan 8.250 nan 0.000 0.452 567 I N -2.095 118.436 120.570 -0.064 0.000 2.703 567 I HA -0.070 4.101 4.170 0.001 0.000 0.259 567 I C 1.952 178.008 176.117 -0.103 0.000 1.151 567 I CA 0.690 61.979 61.300 -0.019 0.000 1.470 567 I CB 0.000 38.023 38.000 0.037 0.000 1.112 567 I HN -0.048 nan 8.210 nan 0.000 0.437 568 L N 0.552 121.609 121.223 -0.276 0.000 2.221 568 L HA 0.170 4.510 4.340 0.001 0.000 0.202 568 L C 2.056 178.683 176.870 -0.405 0.000 1.074 568 L CA 1.305 55.836 54.840 -0.515 0.000 0.795 568 L CB -0.625 41.000 42.059 -0.723 0.000 0.960 568 L HN 0.227 nan 8.230 nan 0.000 0.458 569 L N 0.674 121.662 121.223 -0.391 0.000 2.046 569 L HA -0.051 4.290 4.340 0.001 0.000 0.208 569 L C -0.615 175.925 176.870 -0.550 0.000 1.077 569 L CA 2.018 56.522 54.840 -0.559 0.000 0.747 569 L CB -1.695 39.974 42.059 -0.649 0.000 0.896 569 L HN 0.183 nan 8.230 nan 0.000 0.432 570 P HA -0.158 nan 4.420 nan 0.000 0.216 570 P C 1.545 178.769 177.300 -0.127 0.000 1.150 570 P CA 1.943 64.843 63.100 -0.335 0.000 0.837 570 P CB -0.188 31.139 31.700 -0.622 0.000 0.786 571 A N -0.419 122.314 122.820 -0.145 0.000 1.865 571 A HA -0.172 4.148 4.320 0.001 0.000 0.217 571 A C 2.351 179.915 177.584 -0.035 0.000 1.191 571 A CA 2.203 54.195 52.037 -0.074 0.000 0.623 571 A CB -1.732 17.204 19.000 -0.107 0.000 0.826 571 A HN 0.058 nan 8.150 nan 0.000 0.444 572 V N -0.953 118.891 119.914 -0.117 0.000 2.358 572 V HA -0.185 3.935 4.120 0.001 0.000 0.246 572 V C 2.356 178.540 176.094 0.150 0.000 1.047 572 V CA 1.649 63.917 62.300 -0.053 0.000 1.035 572 V CB -1.023 30.749 31.823 -0.085 0.000 0.658 572 V HN 0.496 nan 8.190 nan 0.000 0.452 573 F N -0.162 119.780 119.950 -0.013 0.000 2.134 573 F HA -0.118 4.410 4.527 0.001 0.000 0.299 573 F C 2.257 178.093 175.800 0.060 0.000 1.097 573 F CA 1.027 59.042 58.000 0.025 0.000 1.264 573 F CB -1.246 37.825 39.000 0.118 0.000 1.001 573 F HN 0.241 nan 8.300 nan 0.000 0.479 574 F N 0.642 120.676 119.950 0.140 0.000 2.075 574 F HA -0.197 4.330 4.527 0.001 0.000 0.297 574 F C 2.119 177.901 175.800 -0.031 0.000 1.113 574 F CA 1.595 59.631 58.000 0.060 0.000 1.218 574 F CB -0.657 38.367 39.000 0.039 0.000 0.984 574 F HN -0.139 nan 8.300 nan 0.000 0.472 575 L N 0.121 121.273 121.223 -0.120 0.000 2.017 575 L HA -0.205 4.135 4.340 0.001 0.000 0.208 575 L C 2.855 179.625 176.870 -0.167 0.000 1.073 575 L CA 1.229 55.802 54.840 -0.444 0.000 0.745 575 L CB -1.354 40.265 42.059 -0.733 0.000 0.894 575 L HN 0.274 nan 8.230 nan 0.000 0.432 576 A N -0.389 122.461 122.820 0.050 0.000 1.940 576 A HA -0.226 4.095 4.320 0.001 0.000 0.219 576 A C 2.368 179.896 177.584 -0.093 0.000 1.176 576 A CA 2.496 54.564 52.037 0.052 0.000 0.631 576 A CB -0.934 18.046 19.000 -0.034 0.000 0.814 576 A HN 0.415 nan 8.150 nan 0.000 0.446 577 T N -0.354 114.119 114.554 -0.136 0.000 2.777 577 T HA -0.122 4.228 4.350 0.001 0.000 0.266 577 T C 2.106 176.724 174.700 -0.136 0.000 1.040 577 T CA 1.403 63.427 62.100 -0.126 0.000 1.141 577 T CB -0.224 68.603 68.868 -0.069 0.000 0.868 577 T HN 0.432 nan 8.240 nan 0.000 0.444 578 Q N 0.946 120.598 119.800 -0.245 0.000 2.096 578 Q HA -0.070 4.271 4.340 0.001 0.000 0.204 578 Q C 2.386 178.404 176.000 0.029 0.000 0.982 578 Q CA 1.282 56.985 55.803 -0.166 0.000 0.850 578 Q CB -0.405 28.156 28.738 -0.295 0.000 0.901 578 Q HN 0.475 nan 8.270 nan 0.000 0.422 579 R N 0.738 121.263 120.500 0.042 0.000 2.127 579 R HA -0.136 4.205 4.340 0.001 0.000 0.238 579 R C 1.305 177.624 176.300 0.031 0.000 1.134 579 R CA 1.124 57.293 56.100 0.115 0.000 0.975 579 R CB 0.241 30.564 30.300 0.038 0.000 0.865 579 R HN 0.119 nan 8.270 nan 0.000 0.447 580 E N -0.454 119.737 120.200 -0.016 0.000 2.478 580 E HA -0.004 4.347 4.350 0.001 0.000 0.194 580 E C 0.942 177.538 176.600 -0.008 0.000 1.045 580 E CA 0.528 56.914 56.400 -0.023 0.000 0.868 580 E CB 0.148 29.822 29.700 -0.043 0.000 0.885 580 E HN 0.371 nan 8.360 nan 0.000 0.505 581 R N 0.000 120.501 120.500 0.002 0.000 2.786 581 R HA 0.000 4.341 4.340 0.001 0.000 0.208 581 R CA 0.000 56.104 56.100 0.007 0.000 0.921 581 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535