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 3dor_1_B DATA FIRST_RESID 33 DATA SEQUENCE SLVCKNALQD LSFLEHLLQV KYAPKTWKEQ YLGWDLVQSS VSAQQKLRTQ DATA SEQUENCE ENPSTSFCQQ VLADFIGGLN DFHAGVTFFA IESAYLPYTV QKSSDGRFYF DATA SEQUENCE VDIMTFSSEI RVGDELLEVD GAPVQDVLAT LYGSNHKGTA AEESAALRTL DATA SEQUENCE FSRMASLGHK VPSGRTTLKI RRPFGTTREV RVKWRYVPEG VGDLATIAPS DATA SEQUENCE IRAPQLXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XGYNIGSTDG FLPVIGPVIW ESEGLFRAYI SSVTDGDGKS HKVGFLRIPT DATA SEQUENCE YSWQDMEDFD PSGPPPWEEF AKIIQVFSSN TEALIIDQTN NPGGSVLYLY DATA SEQUENCE ALLSMLTDRP LELPKHRMIL TQDEVVDALD WLTLLENVDT NVESRLALGD DATA SEQUENCE NMEGYTVDLQ VAEYLKSFGR QVLNCWSKGD IELSTPIPLF GFEKIHPHPR DATA SEQUENCE VQYSKPICVL INEQDFSCAD FFPVVLKDND RALIVGTRTA GAGGFVFNVQ DATA SEQUENCE FPNRTGIKTC SLTGSLAVRE HGAFIENIGV EPHIDLPFTA NDIRYKGYSE DATA SEQUENCE YLDKVKKLVC QLINNDGTII LA 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 33 S HA 0.000 nan 4.470 nan 0.000 0.327 33 S C 0.000 174.610 174.600 0.016 0.000 1.055 33 S CA 0.000 58.205 58.200 0.009 0.000 1.107 33 S CB 0.000 63.205 63.200 0.008 0.000 0.593 34 L N 6.315 127.548 121.223 0.016 0.000 1.994 34 L HA 0.094 4.435 4.340 0.001 0.000 0.208 34 L C 2.118 179.006 176.870 0.031 0.000 1.071 34 L CA 2.400 57.252 54.840 0.021 0.000 0.745 34 L CB -0.772 41.297 42.059 0.017 0.000 0.892 34 L HN 0.680 nan 8.230 nan 0.000 0.431 35 V N -0.832 119.102 119.914 0.033 0.000 2.332 35 V HA -0.372 3.749 4.120 0.001 0.000 0.248 35 V C 2.809 178.937 176.094 0.057 0.000 1.055 35 V CA 1.863 64.191 62.300 0.047 0.000 1.038 35 V CB -0.981 30.870 31.823 0.047 0.000 0.651 35 V HN 0.817 nan 8.190 nan 0.000 0.450 36 C N 0.304 119.634 119.300 0.050 0.000 2.432 36 C HA -0.174 4.286 4.460 0.001 0.000 0.277 36 C C 2.859 177.879 174.990 0.049 0.000 1.249 36 C CA 1.488 60.539 59.018 0.056 0.000 1.725 36 C CB -0.997 26.768 27.740 0.041 0.000 2.028 36 C HN 0.571 nan 8.230 nan 0.000 0.477 37 K N 0.473 120.896 120.400 0.039 0.000 2.063 37 K HA -0.139 4.182 4.320 0.001 0.000 0.208 37 K C 1.956 178.584 176.600 0.047 0.000 1.048 37 K CA 1.802 58.111 56.287 0.036 0.000 0.928 37 K CB -0.333 32.184 32.500 0.028 0.000 0.713 37 K HN 0.571 nan 8.250 nan 0.000 0.442 38 N N 0.648 119.381 118.700 0.055 0.000 2.188 38 N HA -0.114 4.627 4.740 0.001 0.000 0.184 38 N C 1.797 177.363 175.510 0.093 0.000 1.018 38 N CA 1.205 54.299 53.050 0.072 0.000 0.858 38 N CB -0.094 38.436 38.487 0.072 0.000 0.989 38 N HN 0.184 nan 8.380 nan 0.000 0.426 39 A N 1.468 124.339 122.820 0.086 0.000 1.902 39 A HA -0.066 4.254 4.320 0.001 0.000 0.217 39 A C 2.399 180.025 177.584 0.071 0.000 1.181 39 A CA 0.913 53.005 52.037 0.091 0.000 0.623 39 A CB -0.731 18.319 19.000 0.084 0.000 0.818 39 A HN 0.184 nan 8.150 nan 0.000 0.443 40 L N -1.046 120.208 121.223 0.052 0.000 2.046 40 L HA -0.205 4.135 4.340 0.001 0.000 0.208 40 L C 2.938 179.833 176.870 0.042 0.000 1.077 40 L CA 1.312 56.169 54.840 0.028 0.000 0.747 40 L CB -0.418 41.655 42.059 0.023 0.000 0.896 40 L HN 0.397 nan 8.230 nan 0.000 0.432 41 Q N 0.187 120.024 119.800 0.062 0.000 2.020 41 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 41 Q C 1.829 177.901 176.000 0.121 0.000 0.982 41 Q CA 1.803 57.650 55.803 0.074 0.000 0.838 41 Q CB -0.237 28.541 28.738 0.067 0.000 0.899 41 Q HN 0.496 nan 8.270 nan 0.000 0.423 42 D N 0.346 120.845 120.400 0.166 0.000 2.178 42 D HA -0.131 4.509 4.640 0.001 0.000 0.202 42 D C 1.998 178.437 176.300 0.233 0.000 0.974 42 D CA 0.355 54.520 54.000 0.274 0.000 0.841 42 D CB -0.100 40.918 40.800 0.363 0.000 0.953 42 D HN 0.227 nan 8.370 nan 0.000 0.478 43 L N 1.259 122.550 121.223 0.113 0.000 2.017 43 L HA -0.206 4.135 4.340 0.001 0.000 0.208 43 L C 2.485 179.349 176.870 -0.009 0.000 1.073 43 L CA 1.639 56.470 54.840 -0.015 0.000 0.745 43 L CB -0.313 41.665 42.059 -0.136 0.000 0.894 43 L HN 0.062 nan 8.230 nan 0.000 0.432 44 S N -0.614 115.107 115.700 0.035 0.000 2.399 44 S HA -0.274 4.197 4.470 0.001 0.000 0.231 44 S C 1.948 176.630 174.600 0.137 0.000 1.022 44 S CA 1.266 59.502 58.200 0.060 0.000 0.983 44 S CB -0.943 62.292 63.200 0.059 0.000 0.803 44 S HN 0.499 nan 8.310 nan 0.000 0.480 45 F N 2.527 122.474 119.950 -0.006 0.000 2.113 45 F HA 0.168 4.696 4.527 0.001 0.000 0.297 45 F C 1.946 177.758 175.800 0.021 0.000 1.103 45 F CA 0.869 58.846 58.000 -0.039 0.000 1.248 45 F CB -0.536 38.331 39.000 -0.220 0.000 0.999 45 F HN 0.147 nan 8.300 nan 0.000 0.475 46 L N 0.106 121.318 121.223 -0.018 0.000 2.012 46 L HA -0.238 4.103 4.340 0.001 0.000 0.210 46 L C 2.540 179.438 176.870 0.047 0.000 1.073 46 L CA 2.042 56.867 54.840 -0.025 0.000 0.748 46 L CB -0.991 41.186 42.059 0.197 0.000 0.891 46 L HN 0.240 nan 8.230 nan 0.000 0.431 47 E N -0.418 119.867 120.200 0.141 0.000 2.118 47 E HA -0.315 4.035 4.350 0.001 0.000 0.195 47 E C 2.208 178.874 176.600 0.110 0.000 0.992 47 E CA 1.376 57.899 56.400 0.205 0.000 0.804 47 E CB -0.132 29.653 29.700 0.143 0.000 0.741 47 E HN 0.536 nan 8.360 nan 0.000 0.458 48 H N 0.519 119.566 119.070 -0.038 0.000 2.423 48 H HA -0.064 4.493 4.556 0.001 0.000 0.297 48 H C 2.195 177.465 175.328 -0.096 0.000 1.075 48 H CA 1.156 57.171 56.048 -0.055 0.000 1.342 48 H CB 0.072 29.798 29.762 -0.060 0.000 1.395 48 H HN 0.235 nan 8.280 nan 0.000 0.530 49 L N 0.608 121.646 121.223 -0.308 0.000 2.083 49 L HA -0.176 4.165 4.340 0.001 0.000 0.209 49 L C 2.661 179.470 176.870 -0.102 0.000 1.083 49 L CA 0.599 55.273 54.840 -0.277 0.000 0.752 49 L CB -0.335 41.551 42.059 -0.287 0.000 0.899 49 L HN 0.273 nan 8.230 nan 0.000 0.433 50 L N -0.707 120.487 121.223 -0.049 0.000 2.362 50 L HA -0.183 4.158 4.340 0.001 0.000 0.219 50 L C 2.285 179.226 176.870 0.119 0.000 1.134 50 L CA 0.995 55.861 54.840 0.043 0.000 0.807 50 L CB -0.347 41.740 42.059 0.047 0.000 0.927 50 L HN 0.423 nan 8.230 nan 0.000 0.447 51 Q N -1.423 118.382 119.800 0.008 0.000 2.378 51 Q HA 0.033 4.374 4.340 0.001 0.000 0.216 51 Q C 1.982 177.961 176.000 -0.035 0.000 0.892 51 Q CA 0.371 56.184 55.803 0.017 0.000 0.931 51 Q CB 0.855 29.594 28.738 0.002 0.000 1.086 51 Q HN 0.343 nan 8.270 nan 0.000 0.528 52 V N 0.062 119.897 119.914 -0.133 0.000 3.085 52 V HA 0.079 4.199 4.120 0.001 0.000 0.245 52 V C 1.026 177.118 176.094 -0.004 0.000 1.114 52 V CA 0.855 63.094 62.300 -0.102 0.000 1.108 52 V CB 0.519 32.193 31.823 -0.247 0.000 0.798 52 V HN -0.000 nan 8.190 nan 0.000 0.471 53 K N -0.392 120.038 120.400 0.050 0.000 2.895 53 K HA 0.263 4.584 4.320 0.001 0.000 0.200 53 K C -1.296 175.476 176.600 0.288 0.000 1.133 53 K CA -0.259 56.100 56.287 0.121 0.000 1.060 53 K CB 0.982 33.539 32.500 0.094 0.000 0.735 53 K HN 0.368 nan 8.250 nan 0.000 0.451 54 Y N 0.679 121.022 120.300 0.071 0.000 2.686 54 Y HA 0.349 4.900 4.550 0.002 0.000 0.331 54 Y C 1.019 176.930 175.900 0.018 0.000 0.996 54 Y CA -0.661 57.464 58.100 0.042 0.000 1.293 54 Y CB 0.767 39.221 38.460 -0.009 0.000 1.092 54 Y HN 0.172 nan 8.280 nan 0.000 0.524 55 A N 6.209 128.844 122.820 -0.308 0.000 1.940 55 A HA -0.079 4.241 4.320 0.001 0.000 0.219 55 A C -0.721 176.670 177.584 -0.321 0.000 1.176 55 A CA 1.484 53.372 52.037 -0.247 0.000 0.631 55 A CB -1.364 17.520 19.000 -0.193 0.000 0.814 55 A HN 0.651 nan 8.150 nan 0.000 0.446 56 P HA -0.011 nan 4.420 nan 0.000 0.249 56 P C 0.935 178.169 177.300 -0.110 0.000 1.241 56 P CA 0.696 63.556 63.100 -0.399 0.000 0.781 56 P CB -0.028 31.384 31.700 -0.481 0.000 1.088 57 K N 1.003 121.397 120.400 -0.009 0.000 2.034 57 K HA -0.155 4.165 4.320 0.001 0.000 0.214 57 K C 1.646 178.406 176.600 0.266 0.000 1.051 57 K CA 2.393 58.850 56.287 0.285 0.000 0.931 57 K CB -0.796 31.928 32.500 0.374 0.000 0.715 57 K HN -0.014 nan 8.250 nan 0.000 0.446 58 T N 0.522 115.178 114.554 0.169 0.000 2.803 58 T HA -0.187 4.163 4.350 0.001 0.000 0.269 58 T C 1.217 175.981 174.700 0.106 0.000 1.052 58 T CA 1.281 63.462 62.100 0.135 0.000 1.136 58 T CB -0.347 68.575 68.868 0.090 0.000 0.864 58 T HN 0.504 nan 8.240 nan 0.000 0.467 59 W N 2.294 123.519 121.300 -0.124 0.000 2.409 59 W HA -0.076 4.583 4.660 -0.001 0.000 0.299 59 W C 1.455 177.952 176.519 -0.037 0.000 1.203 59 W CA 0.715 57.938 57.345 -0.202 0.000 1.298 59 W CB -0.127 29.095 29.460 -0.396 0.000 1.127 59 W HN 0.077 nan 8.180 nan 0.000 0.528 60 K N 1.073 121.475 120.400 0.004 0.000 2.097 60 K HA -0.158 4.162 4.320 0.001 0.000 0.205 60 K C 1.671 178.336 176.600 0.108 0.000 1.050 60 K CA 1.743 58.002 56.287 -0.048 0.000 0.938 60 K CB -0.704 31.643 32.500 -0.254 0.000 0.718 60 K HN 0.403 nan 8.250 nan 0.000 0.442 61 E N 0.814 121.171 120.200 0.262 0.000 2.110 61 E HA -0.211 4.140 4.350 0.001 0.000 0.193 61 E C 2.215 178.826 176.600 0.019 0.000 0.988 61 E CA 1.032 57.570 56.400 0.229 0.000 0.804 61 E CB -0.001 29.813 29.700 0.189 0.000 0.745 61 E HN 0.361 nan 8.360 nan 0.000 0.458 62 Q N -0.387 119.357 119.800 -0.093 0.000 2.163 62 Q HA -0.132 4.209 4.340 0.001 0.000 0.198 62 Q C 1.872 177.702 176.000 -0.283 0.000 0.954 62 Q CA 0.655 56.353 55.803 -0.175 0.000 0.851 62 Q CB 0.034 28.662 28.738 -0.184 0.000 0.928 62 Q HN 0.305 nan 8.270 nan 0.000 0.459 63 Y N 0.229 120.136 120.300 -0.656 0.000 2.286 63 Y HA -0.012 4.539 4.550 0.001 0.000 0.293 63 Y C 1.287 176.978 175.900 -0.347 0.000 1.124 63 Y CA 1.270 58.949 58.100 -0.703 0.000 1.178 63 Y CB 0.300 37.995 38.460 -1.275 0.000 1.010 63 Y HN 0.085 nan 8.280 nan 0.000 0.536 64 L N -1.621 119.423 121.223 -0.298 0.000 2.609 64 L HA 0.346 4.687 4.340 0.001 0.000 0.230 64 L C 1.615 178.434 176.870 -0.085 0.000 1.087 64 L CA 0.519 55.225 54.840 -0.223 0.000 0.874 64 L CB 0.028 42.052 42.059 -0.059 0.000 1.114 64 L HN 0.272 nan 8.230 nan 0.000 0.488 65 G N 0.355 109.129 108.800 -0.043 0.000 2.160 65 G HA2 -0.319 3.642 3.960 0.001 0.000 0.251 65 G HA3 -0.319 3.642 3.960 0.001 0.000 0.251 65 G C -0.110 174.824 174.900 0.056 0.000 1.008 65 G CA 0.177 45.267 45.100 -0.017 0.000 0.724 65 G HN 0.415 nan 8.290 nan 0.000 0.514 66 W N 0.946 122.192 121.300 -0.091 0.000 2.170 66 W HA 0.555 5.215 4.660 -0.000 0.000 0.336 66 W C -0.061 176.434 176.519 -0.040 0.000 1.283 66 W CA 0.019 57.327 57.345 -0.063 0.000 1.224 66 W CB 0.825 30.247 29.460 -0.064 0.000 1.132 66 W HN 0.215 nan 8.180 nan 0.000 0.571 67 D N 4.949 124.751 120.400 -0.997 0.000 2.788 67 D HA 0.083 4.723 4.640 0.001 0.000 0.247 67 D C 0.360 175.850 176.300 -1.350 0.000 1.236 67 D CA -0.643 52.754 54.000 -1.005 0.000 0.898 67 D CB 1.367 41.901 40.800 -0.444 0.000 1.401 67 D HN 0.329 nan 8.370 nan 0.000 0.549 68 L N 4.438 124.787 121.223 -1.456 0.000 1.956 68 L HA -0.110 4.230 4.340 0.001 0.000 0.216 68 L C 1.675 178.405 176.870 -0.232 0.000 1.073 68 L CA 1.873 56.272 54.840 -0.736 0.000 0.762 68 L CB -0.774 41.105 42.059 -0.299 0.000 0.889 68 L HN 0.549 nan 8.230 nan 0.000 0.433 69 V N 0.120 119.922 119.914 -0.187 0.000 2.252 69 V HA -0.360 3.760 4.120 0.001 0.000 0.249 69 V C 2.681 178.732 176.094 -0.072 0.000 1.056 69 V CA 2.214 64.466 62.300 -0.080 0.000 1.022 69 V CB -0.970 30.807 31.823 -0.076 0.000 0.641 69 V HN 0.697 nan 8.190 nan 0.000 0.445 70 Q N 0.058 119.779 119.800 -0.131 0.000 2.084 70 Q HA -0.203 4.137 4.340 0.001 0.000 0.202 70 Q C 2.361 178.341 176.000 -0.033 0.000 0.978 70 Q CA 2.371 58.119 55.803 -0.091 0.000 0.844 70 Q CB -0.207 28.456 28.738 -0.127 0.000 0.898 70 Q HN 0.675 nan 8.270 nan 0.000 0.426 71 S N 0.295 115.975 115.700 -0.033 0.000 2.383 71 S HA -0.112 4.358 4.470 0.001 0.000 0.227 71 S C 1.983 176.764 174.600 0.303 0.000 1.026 71 S CA 1.143 59.444 58.200 0.167 0.000 0.981 71 S CB -0.257 63.089 63.200 0.244 0.000 0.818 71 S HN 0.415 nan 8.310 nan 0.000 0.472 72 S N 1.018 116.871 115.700 0.255 0.000 2.345 72 S HA -0.075 4.396 4.470 0.001 0.000 0.220 72 S C 1.959 176.527 174.600 -0.054 0.000 1.031 72 S CA 1.208 59.409 58.200 0.001 0.000 0.996 72 S CB -0.455 62.745 63.200 0.001 0.000 0.882 72 S HN 0.292 nan 8.310 nan 0.000 0.445 73 V N 1.411 121.317 119.914 -0.013 0.000 2.380 73 V HA -0.148 3.973 4.120 0.001 0.000 0.251 73 V C 2.734 178.826 176.094 -0.004 0.000 1.063 73 V CA 2.192 64.482 62.300 -0.017 0.000 1.055 73 V CB -0.994 30.820 31.823 -0.014 0.000 0.657 73 V HN 0.646 nan 8.190 nan 0.000 0.455 74 S N -0.411 115.300 115.700 0.020 0.000 2.368 74 S HA -0.159 4.312 4.470 0.001 0.000 0.224 74 S C 2.139 176.760 174.600 0.034 0.000 1.029 74 S CA 1.577 59.799 58.200 0.036 0.000 0.988 74 S CB -0.289 62.948 63.200 0.062 0.000 0.838 74 S HN 0.619 nan 8.310 nan 0.000 0.462 75 A N 1.008 123.840 122.820 0.019 0.000 1.877 75 A HA -0.136 4.184 4.320 0.001 0.000 0.216 75 A C 2.150 179.712 177.584 -0.037 0.000 1.186 75 A CA 1.696 53.719 52.037 -0.023 0.000 0.620 75 A CB -0.898 18.008 19.000 -0.156 0.000 0.822 75 A HN 0.719 nan 8.150 nan 0.000 0.443 76 Q N -0.976 118.788 119.800 -0.059 0.000 2.061 76 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 76 Q C 2.352 178.357 176.000 0.010 0.000 0.984 76 Q CA 1.577 57.361 55.803 -0.032 0.000 0.846 76 Q CB -0.242 28.473 28.738 -0.037 0.000 0.902 76 Q HN 0.574 nan 8.270 nan 0.000 0.421 77 Q N 0.882 120.691 119.800 0.015 0.000 2.096 77 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 77 Q C 1.870 177.906 176.000 0.059 0.000 0.982 77 Q CA 1.388 57.210 55.803 0.031 0.000 0.850 77 Q CB -0.098 28.656 28.738 0.026 0.000 0.901 77 Q HN 0.364 nan 8.270 nan 0.000 0.422 78 K N 0.108 120.554 120.400 0.076 0.000 2.097 78 K HA -0.084 4.236 4.320 0.001 0.000 0.206 78 K C 2.242 178.973 176.600 0.219 0.000 1.049 78 K CA 0.837 57.209 56.287 0.141 0.000 0.933 78 K CB -0.090 32.482 32.500 0.119 0.000 0.717 78 K HN 0.172 nan 8.250 nan 0.000 0.442 79 L N 0.264 121.584 121.223 0.161 0.000 2.095 79 L HA -0.094 4.246 4.340 0.001 0.000 0.204 79 L C 2.469 179.406 176.870 0.112 0.000 1.080 79 L CA 0.998 55.952 54.840 0.190 0.000 0.759 79 L CB -0.246 41.879 42.059 0.109 0.000 0.914 79 L HN 0.101 nan 8.230 nan 0.000 0.439 80 R N -0.635 119.905 120.500 0.066 0.000 2.090 80 R HA -0.056 4.285 4.340 0.001 0.000 0.228 80 R C 1.788 178.102 176.300 0.023 0.000 1.110 80 R CA 1.463 57.584 56.100 0.036 0.000 0.973 80 R CB -0.396 29.918 30.300 0.024 0.000 0.869 80 R HN 0.250 nan 8.270 nan 0.000 0.440 81 T N 0.978 115.550 114.554 0.031 0.000 3.194 81 T HA 0.034 4.385 4.350 0.001 0.000 0.251 81 T C 0.524 175.213 174.700 -0.019 0.000 1.132 81 T CA 0.446 62.553 62.100 0.011 0.000 1.028 81 T CB 0.080 68.962 68.868 0.023 0.000 0.976 81 T HN 0.037 nan 8.240 nan 0.000 0.535 82 Q N 1.165 120.942 119.800 -0.038 0.000 2.235 82 Q HA 0.283 4.624 4.340 0.001 0.000 0.250 82 Q C 0.878 176.806 176.000 -0.120 0.000 0.909 82 Q CA -0.091 55.625 55.803 -0.144 0.000 0.910 82 Q CB 1.430 30.002 28.738 -0.277 0.000 1.223 82 Q HN 0.459 nan 8.270 nan 0.000 0.432 83 E N 1.835 121.951 120.200 -0.140 0.000 1.977 83 E HA -0.131 4.219 4.350 0.001 0.000 0.201 83 E C 0.343 176.889 176.600 -0.091 0.000 0.976 83 E CA 0.617 56.958 56.400 -0.097 0.000 0.868 83 E CB 0.081 29.725 29.700 -0.094 0.000 0.816 83 E HN 0.501 nan 8.360 nan 0.000 0.522 84 N N 1.695 120.333 118.700 -0.104 0.000 3.194 84 N HA 0.146 4.887 4.740 0.001 0.000 0.271 84 N C -2.544 172.903 175.510 -0.106 0.000 1.308 84 N CA -1.487 51.516 53.050 -0.077 0.000 1.042 84 N CB 0.584 39.037 38.487 -0.056 0.000 1.310 84 N HN 0.005 nan 8.380 nan 0.000 0.502 85 P HA -0.027 nan 4.420 nan 0.000 0.263 85 P C 0.020 177.320 177.300 0.001 0.000 1.195 85 P CA 0.102 63.122 63.100 -0.132 0.000 0.762 85 P CB 0.891 32.579 31.700 -0.020 0.000 0.799 86 S N 2.037 117.754 115.700 0.029 0.000 2.624 86 S HA 0.134 4.605 4.470 0.001 0.000 0.263 86 S C 1.399 176.065 174.600 0.110 0.000 1.287 86 S CA -0.172 58.066 58.200 0.063 0.000 0.990 86 S CB 0.092 63.327 63.200 0.058 0.000 0.950 86 S HN 0.446 nan 8.310 nan 0.000 0.561 87 T N 1.913 116.504 114.554 0.062 0.000 2.737 87 T HA -0.111 4.239 4.350 0.001 0.000 0.265 87 T C 2.247 176.942 174.700 -0.008 0.000 1.038 87 T CA 1.842 63.965 62.100 0.038 0.000 1.144 87 T CB -0.881 68.002 68.868 0.024 0.000 0.866 87 T HN 0.883 nan 8.240 nan 0.000 0.434 88 S N 1.473 117.165 115.700 -0.012 0.000 2.400 88 S HA -0.132 4.339 4.470 0.001 0.000 0.232 88 S C 1.809 176.370 174.600 -0.065 0.000 1.025 88 S CA 0.890 59.043 58.200 -0.079 0.000 0.993 88 S CB -0.925 62.256 63.200 -0.032 0.000 0.808 88 S HN 0.495 nan 8.310 nan 0.000 0.478 89 F N 2.031 121.932 119.950 -0.081 0.000 2.113 89 F HA -0.070 4.458 4.527 0.001 0.000 0.297 89 F C 2.396 178.158 175.800 -0.062 0.000 1.103 89 F CA 1.013 58.978 58.000 -0.059 0.000 1.248 89 F CB -0.851 38.129 39.000 -0.033 0.000 0.999 89 F HN 0.269 nan 8.300 nan 0.000 0.475 90 C N 0.694 119.993 119.300 -0.001 0.000 2.422 90 C HA -0.159 4.302 4.460 0.001 0.000 0.279 90 C C 2.668 177.555 174.990 -0.172 0.000 1.305 90 C CA 1.073 60.048 59.018 -0.070 0.000 1.757 90 C CB -1.340 26.443 27.740 0.072 0.000 1.962 90 C HN 0.568 nan 8.230 nan 0.000 0.499 91 Q N 0.321 119.950 119.800 -0.285 0.000 2.079 91 Q HA -0.234 4.106 4.340 0.001 0.000 0.200 91 Q C 2.240 177.964 176.000 -0.460 0.000 0.974 91 Q CA 1.435 56.865 55.803 -0.621 0.000 0.840 91 Q CB -0.250 27.775 28.738 -1.189 0.000 0.898 91 Q HN 0.720 nan 8.270 nan 0.000 0.430 92 Q N -0.021 119.554 119.800 -0.374 0.000 2.084 92 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 92 Q C 2.216 178.105 176.000 -0.185 0.000 0.978 92 Q CA 1.493 57.149 55.803 -0.244 0.000 0.844 92 Q CB -0.031 28.544 28.738 -0.271 0.000 0.898 92 Q HN 0.185 nan 8.270 nan 0.000 0.426 93 V N 0.864 120.600 119.914 -0.298 0.000 2.343 93 V HA -0.251 3.869 4.120 0.001 0.000 0.247 93 V C 2.108 178.211 176.094 0.015 0.000 1.051 93 V CA 1.526 63.712 62.300 -0.189 0.000 1.036 93 V CB -0.479 31.185 31.823 -0.266 0.000 0.654 93 V HN 0.363 nan 8.190 nan 0.000 0.451 94 L N 0.007 121.271 121.223 0.068 0.000 2.056 94 L HA -0.102 4.239 4.340 0.001 0.000 0.207 94 L C 2.740 179.793 176.870 0.304 0.000 1.078 94 L CA 1.462 56.435 54.840 0.222 0.000 0.749 94 L CB -0.833 41.399 42.059 0.289 0.000 0.901 94 L HN 0.357 nan 8.230 nan 0.000 0.433 95 A N -0.051 122.949 122.820 0.300 0.000 1.933 95 A HA -0.217 4.104 4.320 0.001 0.000 0.218 95 A C 1.862 179.544 177.584 0.164 0.000 1.175 95 A CA 1.934 54.134 52.037 0.271 0.000 0.628 95 A CB -0.439 18.747 19.000 0.310 0.000 0.814 95 A HN 0.336 nan 8.150 nan 0.000 0.444 96 D N -1.274 119.208 120.400 0.137 0.000 2.183 96 D HA -0.077 4.563 4.640 0.001 0.000 0.203 96 D C 1.526 177.915 176.300 0.148 0.000 0.969 96 D CA 0.896 54.963 54.000 0.111 0.000 0.842 96 D CB -0.392 40.453 40.800 0.074 0.000 0.957 96 D HN 0.461 nan 8.370 nan 0.000 0.484 97 F N 1.450 121.424 119.950 0.041 0.000 2.102 97 F HA -0.163 4.365 4.527 0.001 0.000 0.298 97 F C 1.926 177.746 175.800 0.034 0.000 1.105 97 F CA 1.112 59.145 58.000 0.055 0.000 1.239 97 F CB -0.093 38.942 39.000 0.058 0.000 0.991 97 F HN -0.154 nan 8.300 nan 0.000 0.474 98 I N 0.634 121.167 120.570 -0.063 0.000 2.439 98 I HA -0.101 4.070 4.170 0.001 0.000 0.251 98 I C 2.767 178.759 176.117 -0.208 0.000 1.139 98 I CA 1.338 62.493 61.300 -0.243 0.000 1.438 98 I CB -2.327 35.616 38.000 -0.095 0.000 1.085 98 I HN 0.302 nan 8.210 nan 0.000 0.427 99 G N 0.790 109.543 108.800 -0.079 0.000 2.470 99 G HA2 -0.165 3.796 3.960 0.001 0.000 0.220 99 G HA3 -0.165 3.796 3.960 0.001 0.000 0.220 99 G C 1.668 176.510 174.900 -0.098 0.000 1.121 99 G CA 0.737 45.802 45.100 -0.059 0.000 0.766 99 G HN 0.487 nan 8.290 nan 0.000 0.553 100 G N 0.544 109.275 108.800 -0.115 0.000 2.559 100 G HA2 -0.017 3.944 3.960 0.001 0.000 0.216 100 G HA3 -0.017 3.944 3.960 0.001 0.000 0.216 100 G C 1.546 176.298 174.900 -0.248 0.000 1.126 100 G CA 0.107 45.151 45.100 -0.094 0.000 0.778 100 G HN 0.451 nan 8.290 nan 0.000 0.543 101 L N -0.462 120.521 121.223 -0.400 0.000 2.478 101 L HA 0.117 4.458 4.340 0.001 0.000 0.223 101 L C 1.222 177.904 176.870 -0.314 0.000 1.140 101 L CA 0.162 54.664 54.840 -0.563 0.000 0.842 101 L CB -0.489 41.203 42.059 -0.612 0.000 0.953 101 L HN 0.379 nan 8.230 nan 0.000 0.452 102 N N 1.022 119.583 118.700 -0.231 0.000 2.705 102 N HA -0.223 4.518 4.740 0.001 0.000 0.255 102 N C -0.510 174.842 175.510 -0.262 0.000 1.008 102 N CA 0.207 53.129 53.050 -0.214 0.000 0.742 102 N CB -0.518 37.910 38.487 -0.099 0.000 0.906 102 N HN 0.248 nan 8.380 nan 0.000 0.541 103 D N 0.120 120.362 120.400 -0.264 0.000 2.505 103 D HA 0.151 4.792 4.640 0.001 0.000 0.250 103 D C 0.633 176.831 176.300 -0.171 0.000 1.164 103 D CA -0.599 53.301 54.000 -0.167 0.000 0.870 103 D CB 0.336 41.141 40.800 0.009 0.000 1.160 103 D HN 0.150 nan 8.370 nan 0.000 0.549 104 F N 1.521 121.487 119.950 0.026 0.000 2.307 104 F HA -0.144 4.383 4.527 0.000 0.000 0.301 104 F C 2.145 177.922 175.800 -0.038 0.000 1.076 104 F CA 0.798 58.797 58.000 -0.001 0.000 1.383 104 F CB 0.067 39.118 39.000 0.085 0.000 1.055 104 F HN 0.511 nan 8.300 nan 0.000 0.526 105 H N -0.342 118.799 119.070 0.119 0.000 2.448 105 H HA 0.322 4.879 4.556 0.001 0.000 0.292 105 H C 1.044 176.345 175.328 -0.044 0.000 1.035 105 H CA 0.593 56.656 56.048 0.025 0.000 1.349 105 H CB -0.384 29.389 29.762 0.017 0.000 1.425 105 H HN 0.071 nan 8.280 nan 0.000 0.539 106 A N 0.821 123.687 122.820 0.076 0.000 2.354 106 A HA 0.556 4.877 4.320 0.001 0.000 0.281 106 A C 0.592 178.127 177.584 -0.081 0.000 1.174 106 A CA 0.546 52.555 52.037 -0.046 0.000 0.828 106 A CB 0.141 19.087 19.000 -0.090 0.000 1.099 106 A HN 0.425 nan 8.150 nan 0.000 0.516 107 G N 0.163 108.901 108.800 -0.104 0.000 2.547 107 G HA2 0.531 4.492 3.960 0.001 0.000 0.291 107 G HA3 0.531 4.492 3.960 0.001 0.000 0.291 107 G C -1.620 173.194 174.900 -0.142 0.000 1.471 107 G CA -0.417 44.626 45.100 -0.095 0.000 0.798 107 G HN 1.007 nan 8.290 nan 0.000 0.504 108 V N 0.767 120.579 119.914 -0.170 0.000 2.555 108 V HA 0.810 4.931 4.120 0.001 0.000 0.302 108 V C 0.452 176.194 176.094 -0.586 0.000 1.038 108 V CA -0.357 61.717 62.300 -0.377 0.000 0.887 108 V CB 1.536 33.115 31.823 -0.407 0.000 0.991 108 V HN 1.195 nan 8.190 nan 0.000 0.434 109 T N 0.970 115.106 114.554 -0.697 0.000 2.912 109 T HA 0.844 5.195 4.350 0.001 0.000 0.288 109 T C -0.945 173.211 174.700 -0.907 0.000 1.030 109 T CA -0.488 61.254 62.100 -0.598 0.000 1.020 109 T CB 1.583 70.237 68.868 -0.356 0.000 1.056 109 T HN 0.209 nan 8.240 nan 0.000 0.480 110 F N -0.165 119.652 119.950 -0.222 0.000 2.593 110 F HA 0.558 5.086 4.527 0.001 0.000 0.320 110 F C -0.212 175.447 175.800 -0.236 0.000 1.060 110 F CA -1.847 56.019 58.000 -0.222 0.000 0.940 110 F CB 1.435 40.381 39.000 -0.091 0.000 1.268 110 F HN 0.543 nan 8.300 nan 0.000 0.475 111 F N 2.139 122.168 119.950 0.131 0.000 2.679 111 F HA 0.513 5.040 4.527 0.001 0.000 0.351 111 F C 0.417 176.252 175.800 0.058 0.000 1.279 111 F CA -0.043 57.988 58.000 0.052 0.000 1.227 111 F CB -0.439 38.571 39.000 0.017 0.000 1.623 111 F HN 0.456 nan 8.300 nan 0.000 0.666 112 A N 2.658 125.583 122.820 0.175 0.000 2.547 112 A HA 0.632 4.953 4.320 0.001 0.000 0.297 112 A C 0.158 177.772 177.584 0.050 0.000 1.056 112 A CA -0.680 51.417 52.037 0.099 0.000 0.688 112 A CB 1.053 20.095 19.000 0.070 0.000 1.282 112 A HN 0.645 nan 8.150 nan 0.000 0.400 113 I N -1.204 119.376 120.570 0.018 0.000 4.181 113 I HA 0.324 4.494 4.170 0.001 0.000 0.331 113 I C 0.599 176.680 176.117 -0.059 0.000 1.312 113 I CA 0.040 61.331 61.300 -0.015 0.000 1.146 113 I CB -0.030 37.960 38.000 -0.018 0.000 1.074 113 I HN 0.733 nan 8.210 nan 0.000 0.402 114 E N 3.375 123.532 120.200 -0.071 0.000 2.529 114 E HA 0.104 4.455 4.350 0.001 0.000 0.259 114 E C -0.323 176.214 176.600 -0.105 0.000 0.966 114 E CA 0.551 56.868 56.400 -0.139 0.000 0.937 114 E CB 0.507 30.167 29.700 -0.067 0.000 0.923 114 E HN 0.603 nan 8.360 nan 0.000 0.468 115 S N 2.081 117.679 115.700 -0.171 0.000 2.588 115 S HA 0.757 5.228 4.470 0.001 0.000 0.269 115 S C -1.338 173.280 174.600 0.031 0.000 1.157 115 S CA -0.609 57.572 58.200 -0.033 0.000 0.824 115 S CB 1.666 64.869 63.200 0.005 0.000 1.126 115 S HN 0.681 nan 8.310 nan 0.000 0.464 116 A N 1.149 124.041 122.820 0.120 0.000 2.393 116 A HA 0.846 5.167 4.320 0.001 0.000 0.306 116 A C -1.670 176.205 177.584 0.485 0.000 1.050 116 A CA -0.655 51.505 52.037 0.204 0.000 0.724 116 A CB 1.294 20.095 19.000 -0.333 0.000 1.248 116 A HN 1.536 nan 8.150 nan 0.000 0.424 117 Y N 1.578 122.220 120.300 0.570 0.000 2.479 117 Y HA 0.657 5.208 4.550 0.001 0.000 0.338 117 Y C -1.896 174.247 175.900 0.404 0.000 1.055 117 Y CA -0.900 57.508 58.100 0.513 0.000 1.023 117 Y CB 1.602 40.222 38.460 0.266 0.000 1.287 117 Y HN 0.641 nan 8.280 nan 0.000 0.447 118 L N 7.948 128.881 121.223 -0.483 0.000 2.356 118 L HA 0.495 4.835 4.340 0.001 0.000 0.277 118 L C -2.115 174.078 176.870 -1.129 0.000 0.996 118 L CA -2.042 52.379 54.840 -0.699 0.000 0.822 118 L CB 2.553 44.130 42.059 -0.804 0.000 1.256 118 L HN 0.530 nan 8.230 nan 0.000 0.413 119 P HA 0.013 nan 4.420 nan 0.000 0.246 119 P C -1.246 175.434 177.300 -1.033 0.000 1.675 119 P CA 0.508 63.103 63.100 -0.841 0.000 0.908 119 P CB -0.519 30.840 31.700 -0.568 0.000 1.890 120 Y N -1.348 118.757 120.300 -0.325 0.000 2.605 120 Y HA 0.578 5.129 4.550 0.001 0.000 0.343 120 Y C 0.577 176.550 175.900 0.122 0.000 1.036 120 Y CA -0.822 57.227 58.100 -0.087 0.000 1.065 120 Y CB 1.735 40.117 38.460 -0.129 0.000 1.288 120 Y HN -0.277 nan 8.280 nan 0.000 0.481 121 T N 1.655 116.411 114.554 0.336 0.000 2.928 121 T HA 0.581 4.932 4.350 0.001 0.000 0.296 121 T C -1.141 173.589 174.700 0.051 0.000 1.000 121 T CA -0.610 61.601 62.100 0.185 0.000 0.989 121 T CB 1.363 70.273 68.868 0.071 0.000 1.005 121 T HN 0.346 nan 8.240 nan 0.000 0.442 122 V N 2.883 122.780 119.914 -0.027 0.000 2.881 122 V HA 0.662 4.782 4.120 0.001 0.000 0.316 122 V C -0.350 175.684 176.094 -0.101 0.000 1.070 122 V CA -0.751 61.461 62.300 -0.147 0.000 0.976 122 V CB 2.080 33.761 31.823 -0.237 0.000 1.038 122 V HN 0.848 nan 8.190 nan 0.000 0.446 123 Q N 2.095 121.849 119.800 -0.077 0.000 2.289 123 Q HA 0.409 4.749 4.340 0.001 0.000 0.270 123 Q C -1.092 174.891 176.000 -0.029 0.000 1.038 123 Q CA -0.714 55.050 55.803 -0.066 0.000 0.812 123 Q CB 2.043 30.676 28.738 -0.175 0.000 1.300 123 Q HN 0.700 nan 8.270 nan 0.000 0.427 124 K N 2.088 122.433 120.400 -0.091 0.000 2.258 124 K HA 0.291 4.611 4.320 0.001 0.000 0.284 124 K C -0.347 176.181 176.600 -0.121 0.000 1.051 124 K CA -0.138 55.952 56.287 -0.328 0.000 0.923 124 K CB 0.815 33.006 32.500 -0.515 0.000 1.046 124 K HN 0.718 nan 8.250 nan 0.000 0.474 125 S N 1.956 117.615 115.700 -0.067 0.000 2.681 125 S HA 0.044 4.514 4.470 0.001 0.000 0.270 125 S C 1.219 175.812 174.600 -0.010 0.000 1.209 125 S CA -0.127 58.091 58.200 0.030 0.000 0.988 125 S CB 1.439 64.699 63.200 0.099 0.000 1.006 125 S HN 0.701 nan 8.310 nan 0.000 0.558 126 S N 0.044 115.760 115.700 0.027 0.000 2.442 126 S HA -0.154 4.317 4.470 0.001 0.000 0.236 126 S C 1.013 175.613 174.600 -0.001 0.000 1.007 126 S CA 1.039 59.247 58.200 0.012 0.000 0.965 126 S CB -0.886 62.333 63.200 0.031 0.000 0.773 126 S HN 0.903 nan 8.310 nan 0.000 0.504 127 D N 0.435 120.838 120.400 0.006 0.000 2.328 127 D HA 0.254 4.894 4.640 0.001 0.000 0.226 127 D C 1.341 177.627 176.300 -0.024 0.000 1.066 127 D CA 0.484 54.487 54.000 0.004 0.000 0.861 127 D CB -0.664 40.151 40.800 0.026 0.000 0.912 127 D HN 0.558 nan 8.370 nan 0.000 0.521 128 G N 0.230 108.984 108.800 -0.077 0.000 2.159 128 G HA2 -0.314 3.647 3.960 0.001 0.000 0.256 128 G HA3 -0.314 3.647 3.960 0.001 0.000 0.256 128 G C 0.219 174.967 174.900 -0.254 0.000 0.977 128 G CA -0.064 44.947 45.100 -0.149 0.000 0.652 128 G HN 0.475 nan 8.290 nan 0.000 0.531 129 R N -0.892 119.474 120.500 -0.224 0.000 2.486 129 R HA 0.645 4.985 4.340 0.001 0.000 0.286 129 R C -0.609 175.368 176.300 -0.538 0.000 0.999 129 R CA -0.658 55.257 56.100 -0.308 0.000 0.993 129 R CB 0.672 30.808 30.300 -0.275 0.000 1.084 129 R HN 0.074 nan 8.270 nan 0.000 0.487 130 F N 2.044 121.754 119.950 -0.400 0.000 2.415 130 F HA 0.341 4.869 4.527 0.001 0.000 0.348 130 F C -0.349 175.116 175.800 -0.558 0.000 1.119 130 F CA -0.396 57.391 58.000 -0.355 0.000 1.069 130 F CB 0.762 39.583 39.000 -0.299 0.000 1.124 130 F HN 0.311 nan 8.300 nan 0.000 0.472 131 Y N 2.001 122.273 120.300 -0.047 0.000 2.446 131 Y HA 0.480 5.030 4.550 0.001 0.000 0.345 131 Y C -0.595 175.239 175.900 -0.110 0.000 0.984 131 Y CA -1.376 56.696 58.100 -0.048 0.000 1.058 131 Y CB 1.271 39.697 38.460 -0.056 0.000 1.220 131 Y HN 0.341 nan 8.280 nan 0.000 0.455 132 F N 1.995 122.038 119.950 0.154 0.000 2.467 132 F HA 0.224 4.751 4.527 0.001 0.000 0.362 132 F C 1.065 176.895 175.800 0.050 0.000 1.090 132 F CA -0.205 57.851 58.000 0.093 0.000 1.202 132 F CB 0.725 39.771 39.000 0.077 0.000 1.113 132 F HN 0.382 nan 8.300 nan 0.000 0.541 133 V N -1.745 118.213 119.914 0.074 0.000 3.528 133 V HA 0.377 4.497 4.120 0.001 0.000 0.294 133 V C -0.428 175.689 176.094 0.038 0.000 1.404 133 V CA 0.082 62.350 62.300 -0.054 0.000 1.065 133 V CB 0.239 31.776 31.823 -0.478 0.000 0.904 133 V HN 0.662 nan 8.190 nan 0.000 0.435 134 D N -0.053 120.420 120.400 0.122 0.000 2.769 134 D HA 0.527 5.167 4.640 0.001 0.000 0.219 134 D C -1.676 174.736 176.300 0.187 0.000 1.245 134 D CA -0.267 53.831 54.000 0.164 0.000 0.801 134 D CB 2.322 43.230 40.800 0.180 0.000 1.598 134 D HN 0.005 nan 8.370 nan 0.000 0.485 135 I N 2.958 123.596 120.570 0.113 0.000 2.418 135 I HA 0.338 4.508 4.170 0.001 0.000 0.287 135 I C -0.006 176.069 176.117 -0.069 0.000 1.008 135 I CA -0.631 60.680 61.300 0.018 0.000 1.104 135 I CB 1.420 39.435 38.000 0.026 0.000 1.264 135 I HN 0.419 nan 8.210 nan 0.000 0.438 136 M N 4.833 124.316 119.600 -0.196 0.000 2.959 136 M HA 0.279 4.759 4.480 0.001 0.000 0.337 136 M C 0.160 176.360 176.300 -0.166 0.000 1.220 136 M CA 0.105 55.334 55.300 -0.118 0.000 0.893 136 M CB 0.629 33.211 32.600 -0.030 0.000 1.322 136 M HN 0.616 nan 8.290 nan 0.000 0.519 137 T N -0.689 113.728 114.554 -0.228 0.000 2.787 137 T HA 0.673 5.023 4.350 0.001 0.000 0.297 137 T C -0.874 173.696 174.700 -0.217 0.000 1.221 137 T CA -0.875 61.079 62.100 -0.243 0.000 1.006 137 T CB 0.718 69.307 68.868 -0.465 0.000 1.328 137 T HN 0.215 nan 8.240 nan 0.000 0.509 138 F N 1.820 121.747 119.950 -0.038 0.000 2.628 138 F HA 0.389 4.916 4.527 0.001 0.000 0.346 138 F C 1.129 176.917 175.800 -0.019 0.000 1.188 138 F CA -0.548 57.439 58.000 -0.022 0.000 1.376 138 F CB -0.503 38.488 39.000 -0.016 0.000 1.104 138 F HN 0.518 nan 8.300 nan 0.000 0.616 139 S N 1.283 117.090 115.700 0.179 0.000 3.159 139 S HA 0.129 4.600 4.470 0.001 0.000 0.375 139 S C 0.005 174.638 174.600 0.056 0.000 1.068 139 S CA -0.142 58.111 58.200 0.087 0.000 1.678 139 S CB -0.871 62.398 63.200 0.115 0.000 1.160 139 S HN 0.821 nan 8.310 nan 0.000 0.605 140 S N 1.430 117.066 115.700 -0.107 0.000 2.751 140 S HA 0.375 4.845 4.470 0.001 0.000 0.310 140 S C 1.111 175.659 174.600 -0.086 0.000 1.128 140 S CA -0.866 57.268 58.200 -0.111 0.000 0.931 140 S CB 1.170 64.204 63.200 -0.277 0.000 1.177 140 S HN 0.782 nan 8.310 nan 0.000 0.530 141 E N 0.402 120.548 120.200 -0.090 0.000 2.070 141 E HA -0.128 4.222 4.350 0.001 0.000 0.197 141 E C 0.003 176.515 176.600 -0.147 0.000 1.004 141 E CA 1.051 57.392 56.400 -0.100 0.000 0.805 141 E CB -0.216 29.422 29.700 -0.103 0.000 0.744 141 E HN 0.495 nan 8.360 nan 0.000 0.451 142 I N 2.089 122.518 120.570 -0.235 0.000 2.683 142 I HA -0.045 4.125 4.170 0.001 0.000 0.286 142 I C 0.555 176.534 176.117 -0.230 0.000 1.175 142 I CA 0.579 61.659 61.300 -0.367 0.000 1.429 142 I CB 0.289 37.864 38.000 -0.708 0.000 1.371 142 I HN 0.000 nan 8.210 nan 0.000 0.569 143 R N 4.500 124.897 120.500 -0.173 0.000 2.832 143 R HA 0.575 4.915 4.340 0.001 0.000 0.271 143 R C -0.972 175.348 176.300 0.034 0.000 0.996 143 R CA -1.115 54.960 56.100 -0.042 0.000 0.977 143 R CB 1.922 32.230 30.300 0.015 0.000 1.168 143 R HN 0.295 nan 8.270 nan 0.000 0.482 144 V N 1.627 121.603 119.914 0.104 0.000 2.673 144 V HA 0.152 4.272 4.120 0.001 0.000 0.303 144 V C 1.319 177.566 176.094 0.256 0.000 1.046 144 V CA 2.017 64.432 62.300 0.191 0.000 1.126 144 V CB 0.875 32.803 31.823 0.174 0.000 0.934 144 V HN 1.160 nan 8.190 nan 0.000 0.487 145 G N 3.762 112.732 108.800 0.283 0.000 2.238 145 G HA2 -0.168 3.792 3.960 0.001 0.000 0.217 145 G HA3 -0.168 3.792 3.960 0.001 0.000 0.217 145 G C -0.042 175.056 174.900 0.329 0.000 0.996 145 G CA -0.059 45.197 45.100 0.261 0.000 0.632 145 G HN 0.650 nan 8.290 nan 0.000 0.503 146 D N 1.170 121.762 120.400 0.319 0.000 2.399 146 D HA 0.419 5.060 4.640 0.001 0.000 0.241 146 D C 0.414 176.948 176.300 0.390 0.000 1.133 146 D CA 0.242 54.412 54.000 0.283 0.000 0.890 146 D CB 1.069 41.935 40.800 0.111 0.000 1.201 146 D HN 0.496 nan 8.370 nan 0.000 0.432 147 E N 1.235 121.551 120.200 0.193 0.000 2.197 147 E HA 0.255 4.606 4.350 0.001 0.000 0.281 147 E C -0.937 175.702 176.600 0.065 0.000 0.995 147 E CA -0.879 55.480 56.400 -0.067 0.000 0.808 147 E CB 1.033 30.599 29.700 -0.224 0.000 1.093 147 E HN 0.152 nan 8.360 nan 0.000 0.394 148 L N 6.013 127.231 121.223 -0.007 0.000 2.281 148 L HA 0.187 4.528 4.340 0.001 0.000 0.285 148 L C -0.194 176.650 176.870 -0.043 0.000 1.074 148 L CA 0.459 55.315 54.840 0.026 0.000 0.817 148 L CB 0.630 42.553 42.059 -0.228 0.000 1.168 148 L HN 0.804 nan 8.230 nan 0.000 0.434 149 L N 3.135 124.348 121.223 -0.017 0.000 2.347 149 L HA 0.359 4.699 4.340 0.001 0.000 0.196 149 L C 0.410 177.242 176.870 -0.063 0.000 1.072 149 L CA 0.195 55.013 54.840 -0.037 0.000 0.817 149 L CB 0.102 42.151 42.059 -0.017 0.000 1.029 149 L HN 0.620 nan 8.230 nan 0.000 0.478 150 E N -0.949 119.220 120.200 -0.052 0.000 2.446 150 E HA 0.532 4.883 4.350 0.001 0.000 0.276 150 E C -1.450 175.118 176.600 -0.053 0.000 0.969 150 E CA -0.707 55.655 56.400 -0.063 0.000 0.800 150 E CB 3.122 32.797 29.700 -0.042 0.000 1.341 150 E HN -0.288 nan 8.360 nan 0.000 0.460 151 V N 2.053 121.934 119.914 -0.055 0.000 2.445 151 V HA 0.186 4.306 4.120 0.001 0.000 0.283 151 V C -0.866 175.221 176.094 -0.013 0.000 1.014 151 V CA -0.696 61.587 62.300 -0.027 0.000 0.852 151 V CB 1.076 32.880 31.823 -0.032 0.000 1.021 151 V HN 0.795 nan 8.190 nan 0.000 0.435 152 D N 4.133 124.530 120.400 -0.006 0.000 2.775 152 D HA -0.177 4.464 4.640 0.001 0.000 0.235 152 D C 1.322 177.617 176.300 -0.009 0.000 1.120 152 D CA 1.756 55.757 54.000 0.001 0.000 0.708 152 D CB -1.094 39.719 40.800 0.022 0.000 1.084 152 D HN 1.387 nan 8.370 nan 0.000 0.434 153 G N -1.264 107.526 108.800 -0.017 0.000 2.225 153 G HA2 -0.149 3.812 3.960 0.001 0.000 0.254 153 G HA3 -0.149 3.812 3.960 0.001 0.000 0.254 153 G C 0.433 175.317 174.900 -0.026 0.000 0.988 153 G CA 0.643 45.732 45.100 -0.019 0.000 0.625 153 G HN 1.294 nan 8.290 nan 0.000 0.527 154 A N 1.742 124.542 122.820 -0.034 0.000 2.290 154 A HA 0.781 5.101 4.320 0.001 0.000 0.310 154 A C -1.682 175.862 177.584 -0.067 0.000 1.202 154 A CA -1.248 50.760 52.037 -0.048 0.000 0.837 154 A CB 1.165 20.133 19.000 -0.053 0.000 1.139 154 A HN 0.205 nan 8.150 nan 0.000 0.509 155 P HA 0.044 nan 4.420 nan 0.000 0.267 155 P C 1.203 178.420 177.300 -0.137 0.000 1.200 155 P CA -0.088 62.964 63.100 -0.081 0.000 0.772 155 P CB 0.640 32.309 31.700 -0.053 0.000 0.855 156 V N 2.775 122.571 119.914 -0.196 0.000 2.278 156 V HA -0.336 3.785 4.120 0.001 0.000 0.251 156 V C 2.566 178.444 176.094 -0.360 0.000 1.062 156 V CA 2.349 64.434 62.300 -0.358 0.000 1.038 156 V CB -1.697 29.762 31.823 -0.607 0.000 0.646 156 V HN 0.494 nan 8.190 nan 0.000 0.447 157 Q N 0.405 120.068 119.800 -0.229 0.000 2.077 157 Q HA -0.230 4.111 4.340 0.001 0.000 0.206 157 Q C 1.999 177.892 176.000 -0.177 0.000 0.989 157 Q CA 2.184 57.911 55.803 -0.127 0.000 0.853 157 Q CB -0.609 28.134 28.738 0.009 0.000 0.907 157 Q HN 0.662 nan 8.270 nan 0.000 0.418 158 D N -0.472 119.836 120.400 -0.153 0.000 2.117 158 D HA -0.098 4.542 4.640 0.001 0.000 0.198 158 D C 1.958 178.127 176.300 -0.219 0.000 0.982 158 D CA 1.005 54.908 54.000 -0.161 0.000 0.828 158 D CB -0.197 40.540 40.800 -0.106 0.000 0.967 158 D HN 0.092 nan 8.370 nan 0.000 0.464 159 V N 1.266 121.050 119.914 -0.217 0.000 2.343 159 V HA -0.215 3.905 4.120 0.001 0.000 0.247 159 V C 2.694 178.606 176.094 -0.303 0.000 1.051 159 V CA 1.126 63.294 62.300 -0.220 0.000 1.036 159 V CB -0.498 31.204 31.823 -0.201 0.000 0.654 159 V HN 0.187 nan 8.190 nan 0.000 0.451 160 L N 0.076 121.074 121.223 -0.375 0.000 2.046 160 L HA -0.183 4.158 4.340 0.001 0.000 0.208 160 L C 2.736 179.086 176.870 -0.866 0.000 1.077 160 L CA 1.602 56.170 54.840 -0.453 0.000 0.747 160 L CB -0.763 41.098 42.059 -0.330 0.000 0.896 160 L HN 0.377 nan 8.230 nan 0.000 0.432 161 A N 0.007 122.231 122.820 -0.993 0.000 1.978 161 A HA -0.246 4.075 4.320 0.001 0.000 0.220 161 A C 2.369 179.522 177.584 -0.717 0.000 1.170 161 A CA 2.235 53.475 52.037 -1.328 0.000 0.636 161 A CB -0.998 17.654 19.000 -0.580 0.000 0.810 161 A HN 0.559 nan 8.150 nan 0.000 0.448 162 T N -2.042 112.256 114.554 -0.427 0.000 3.007 162 T HA 0.028 4.379 4.350 0.001 0.000 0.270 162 T C 1.421 175.995 174.700 -0.210 0.000 1.107 162 T CA 1.365 63.321 62.100 -0.239 0.000 1.118 162 T CB -0.404 68.364 68.868 -0.167 0.000 0.889 162 T HN 0.343 nan 8.240 nan 0.000 0.506 163 L N -0.780 120.271 121.223 -0.287 0.000 2.607 163 L HA 0.327 4.667 4.340 0.001 0.000 0.228 163 L C 0.366 177.239 176.870 0.006 0.000 1.123 163 L CA -0.524 54.223 54.840 -0.155 0.000 0.890 163 L CB -0.253 41.711 42.059 -0.158 0.000 1.103 163 L HN 0.186 nan 8.230 nan 0.000 0.468 164 Y N 0.940 121.157 120.300 -0.137 0.000 2.296 164 Y HA 0.341 4.892 4.550 0.001 0.000 0.343 164 Y C 1.288 177.164 175.900 -0.041 0.000 1.292 164 Y CA -0.986 57.022 58.100 -0.153 0.000 1.490 164 Y CB -0.127 38.085 38.460 -0.415 0.000 1.359 164 Y HN -0.099 nan 8.280 nan 0.000 0.599 165 G N -0.178 108.738 108.800 0.193 0.000 2.557 165 G HA2 0.287 4.247 3.960 0.001 0.000 0.292 165 G HA3 0.287 4.247 3.960 0.001 0.000 0.292 165 G C 0.658 175.632 174.900 0.124 0.000 1.237 165 G CA -0.306 44.867 45.100 0.121 0.000 0.978 165 G HN 0.599 nan 8.290 nan 0.000 0.498 166 S N -0.498 115.254 115.700 0.086 0.000 2.382 166 S HA -0.111 4.360 4.470 0.001 0.000 0.228 166 S C 1.358 176.011 174.600 0.088 0.000 1.027 166 S CA 1.256 59.508 58.200 0.088 0.000 0.991 166 S CB -0.162 63.089 63.200 0.085 0.000 0.823 166 S HN 0.609 nan 8.310 nan 0.000 0.469 167 N N 0.710 119.448 118.700 0.064 0.000 2.538 167 N HA 0.108 4.848 4.740 0.001 0.000 0.291 167 N C -0.272 175.245 175.510 0.011 0.000 1.323 167 N CA -0.116 52.953 53.050 0.031 0.000 0.934 167 N CB 0.253 38.744 38.487 0.007 0.000 1.255 167 N HN 0.379 nan 8.380 nan 0.000 0.509 168 H N 1.832 120.877 119.070 -0.041 0.000 3.094 168 H HA -0.010 4.547 4.556 0.001 0.000 0.320 168 H C 0.214 175.477 175.328 -0.108 0.000 1.000 168 H CA 0.976 56.965 56.048 -0.099 0.000 1.413 168 H CB 0.767 30.456 29.762 -0.123 0.000 1.405 168 H HN 0.195 nan 8.280 nan 0.000 0.586 169 K N 3.446 123.471 120.400 -0.625 0.000 2.438 169 K HA 0.108 4.429 4.320 0.001 0.000 0.205 169 K C 1.041 177.345 176.600 -0.495 0.000 1.033 169 K CA 0.353 56.379 56.287 -0.436 0.000 1.089 169 K CB 0.880 33.225 32.500 -0.258 0.000 0.857 169 K HN 0.945 nan 8.250 nan 0.000 0.522 170 G N 2.962 111.155 108.800 -1.012 0.000 2.168 170 G HA2 -0.318 3.642 3.960 0.001 0.000 0.257 170 G HA3 -0.318 3.642 3.960 0.001 0.000 0.257 170 G C 0.362 175.142 174.900 -0.199 0.000 0.997 170 G CA 1.032 45.864 45.100 -0.447 0.000 0.708 170 G HN 0.444 nan 8.290 nan 0.000 0.520 171 T N -2.943 111.496 114.554 -0.192 0.000 2.899 171 T HA 0.692 5.043 4.350 0.001 0.000 0.295 171 T C 1.752 176.469 174.700 0.029 0.000 1.033 171 T CA 0.420 62.505 62.100 -0.025 0.000 1.084 171 T CB 1.774 70.670 68.868 0.047 0.000 0.979 171 T HN 1.377 nan 8.240 nan 0.000 0.532 172 A N 2.078 124.923 122.820 0.042 0.000 1.908 172 A HA 0.107 4.427 4.320 0.001 0.000 0.218 172 A C 2.659 180.290 177.584 0.080 0.000 1.181 172 A CA 1.932 54.002 52.037 0.055 0.000 0.627 172 A CB -1.537 17.479 19.000 0.027 0.000 0.818 172 A HN 1.290 nan 8.150 nan 0.000 0.445 173 A N -0.154 122.709 122.820 0.071 0.000 1.908 173 A HA -0.196 4.124 4.320 0.001 0.000 0.218 173 A C 1.903 179.643 177.584 0.260 0.000 1.181 173 A CA 1.733 53.809 52.037 0.064 0.000 0.627 173 A CB -0.538 18.443 19.000 -0.032 0.000 0.818 173 A HN 0.662 nan 8.150 nan 0.000 0.445 174 E N -0.837 119.557 120.200 0.324 0.000 2.106 174 E HA -0.190 4.160 4.350 0.001 0.000 0.192 174 E C 2.009 178.772 176.600 0.272 0.000 0.984 174 E CA 1.125 57.731 56.400 0.343 0.000 0.806 174 E CB -0.090 29.704 29.700 0.157 0.000 0.750 174 E HN 0.726 nan 8.360 nan 0.000 0.458 175 E N 0.877 121.209 120.200 0.220 0.000 2.051 175 E HA -0.157 4.194 4.350 0.001 0.000 0.192 175 E C 1.969 178.722 176.600 0.254 0.000 0.991 175 E CA 1.711 58.262 56.400 0.253 0.000 0.799 175 E CB -0.099 29.733 29.700 0.219 0.000 0.748 175 E HN -0.007 nan 8.360 nan 0.000 0.449 176 S N -0.049 115.776 115.700 0.208 0.000 2.383 176 S HA -0.097 4.373 4.470 0.001 0.000 0.227 176 S C 1.982 176.711 174.600 0.215 0.000 1.026 176 S CA 0.863 59.177 58.200 0.190 0.000 0.981 176 S CB -0.400 62.890 63.200 0.149 0.000 0.818 176 S HN 0.503 nan 8.310 nan 0.000 0.472 177 A N 1.525 124.506 122.820 0.269 0.000 1.933 177 A HA 0.103 4.424 4.320 0.001 0.000 0.218 177 A C 2.322 180.049 177.584 0.238 0.000 1.175 177 A CA 1.662 53.879 52.037 0.300 0.000 0.628 177 A CB -0.945 18.340 19.000 0.476 0.000 0.814 177 A HN 0.513 nan 8.150 nan 0.000 0.444 178 A N -0.566 122.399 122.820 0.242 0.000 1.929 178 A HA 0.040 4.361 4.320 0.001 0.000 0.216 178 A C 2.153 179.794 177.584 0.096 0.000 1.176 178 A CA 1.253 53.403 52.037 0.189 0.000 0.628 178 A CB -0.523 18.664 19.000 0.312 0.000 0.816 178 A HN 0.471 nan 8.150 nan 0.000 0.444 179 L N -0.666 120.627 121.223 0.116 0.000 2.079 179 L HA -0.206 4.134 4.340 0.001 0.000 0.210 179 L C 2.800 179.688 176.870 0.029 0.000 1.081 179 L CA 1.365 56.228 54.840 0.038 0.000 0.752 179 L CB -0.368 41.758 42.059 0.112 0.000 0.896 179 L HN 0.429 nan 8.230 nan 0.000 0.433 180 R N -0.769 119.793 120.500 0.104 0.000 2.117 180 R HA -0.185 4.156 4.340 0.001 0.000 0.243 180 R C 1.987 178.368 176.300 0.135 0.000 1.143 180 R CA 2.006 58.187 56.100 0.134 0.000 0.968 180 R CB -0.517 29.879 30.300 0.160 0.000 0.863 180 R HN 0.532 nan 8.270 nan 0.000 0.444 181 T N -1.586 113.022 114.554 0.091 0.000 3.081 181 T HA 0.102 4.452 4.350 0.001 0.000 0.250 181 T C 1.795 176.509 174.700 0.023 0.000 1.100 181 T CA -0.080 62.061 62.100 0.069 0.000 1.038 181 T CB 0.036 68.875 68.868 -0.049 0.000 0.962 181 T HN 0.123 nan 8.240 nan 0.000 0.516 182 L N -0.153 121.024 121.223 -0.077 0.000 1.997 182 L HA 0.004 4.344 4.340 0.001 0.000 0.216 182 L C 1.324 178.157 176.870 -0.062 0.000 1.074 182 L CA 1.862 56.556 54.840 -0.244 0.000 0.763 182 L CB -0.258 41.443 42.059 -0.597 0.000 0.890 182 L HN 0.363 nan 8.230 nan 0.000 0.434 183 F N -1.699 118.359 119.950 0.179 0.000 2.647 183 F HA 0.175 4.702 4.527 0.001 0.000 0.300 183 F C 0.574 176.608 175.800 0.391 0.000 1.106 183 F CA -0.444 57.699 58.000 0.237 0.000 1.313 183 F CB 0.733 39.738 39.000 0.008 0.000 1.007 183 F HN -0.073 nan 8.300 nan 0.000 0.536 184 S N 1.374 117.385 115.700 0.518 0.000 2.571 184 S HA 0.400 4.871 4.470 0.001 0.000 0.238 184 S C -0.884 173.916 174.600 0.332 0.000 1.153 184 S CA -0.677 57.818 58.200 0.492 0.000 1.141 184 S CB 0.243 63.724 63.200 0.469 0.000 1.133 184 S HN 0.043 nan 8.310 nan 0.000 0.464 185 R N 3.538 124.190 120.500 0.254 0.000 2.393 185 R HA 0.585 4.926 4.340 0.001 0.000 0.310 185 R C -0.766 175.678 176.300 0.241 0.000 0.968 185 R CA -0.344 55.887 56.100 0.219 0.000 0.867 185 R CB 1.257 31.528 30.300 -0.049 0.000 1.124 185 R HN 0.612 nan 8.270 nan 0.000 0.450 186 M N 1.302 121.093 119.600 0.317 0.000 2.213 186 M HA 0.326 4.807 4.480 0.001 0.000 0.286 186 M C 0.714 176.980 176.300 -0.056 0.000 1.008 186 M CA -0.529 54.806 55.300 0.059 0.000 0.937 186 M CB 2.408 35.014 32.600 0.010 0.000 1.600 186 M HN 0.725 nan 8.290 nan 0.000 0.450 187 A N 0.992 123.802 122.820 -0.016 0.000 2.070 187 A HA -0.095 4.226 4.320 0.001 0.000 0.220 187 A C 2.031 179.609 177.584 -0.010 0.000 1.159 187 A CA 2.044 54.059 52.037 -0.036 0.000 0.656 187 A CB -0.591 18.392 19.000 -0.028 0.000 0.800 187 A HN 0.923 nan 8.150 nan 0.000 0.453 188 S N -0.471 115.231 115.700 0.004 0.000 2.469 188 S HA 0.014 4.484 4.470 0.001 0.000 0.238 188 S C 1.294 175.946 174.600 0.086 0.000 0.998 188 S CA 1.253 59.489 58.200 0.059 0.000 0.957 188 S CB -0.390 62.803 63.200 -0.012 0.000 0.764 188 S HN 0.469 nan 8.310 nan 0.000 0.514 189 L N 0.462 121.638 121.223 -0.078 0.000 2.808 189 L HA 0.421 4.761 4.340 0.001 0.000 0.246 189 L C 1.549 178.391 176.870 -0.047 0.000 1.153 189 L CA 0.218 54.960 54.840 -0.162 0.000 0.956 189 L CB 0.000 41.767 42.059 -0.487 0.000 1.270 189 L HN 0.537 nan 8.230 nan 0.000 0.528 190 G N -0.340 108.481 108.800 0.035 0.000 2.141 190 G HA2 -0.225 3.736 3.960 0.001 0.000 0.242 190 G HA3 -0.225 3.736 3.960 0.001 0.000 0.242 190 G C 0.065 174.981 174.900 0.028 0.000 0.982 190 G CA -0.280 44.803 45.100 -0.029 0.000 0.662 190 G HN 0.360 nan 8.290 nan 0.000 0.527 191 H N 0.437 119.510 119.070 0.006 0.000 2.551 191 H HA 0.453 5.009 4.556 0.001 0.000 0.358 191 H C 0.797 176.100 175.328 -0.041 0.000 1.151 191 H CA -0.285 55.756 56.048 -0.012 0.000 1.374 191 H CB 0.680 30.443 29.762 0.002 0.000 1.473 191 H HN 0.265 nan 8.280 nan 0.000 0.574 192 K N 1.313 121.764 120.400 0.086 0.000 2.276 192 K HA 0.286 4.606 4.320 0.001 0.000 0.283 192 K C -0.558 176.041 176.600 -0.000 0.000 1.044 192 K CA -0.480 55.820 56.287 0.021 0.000 0.944 192 K CB 1.029 33.527 32.500 -0.003 0.000 1.012 192 K HN 0.188 nan 8.250 nan 0.000 0.472 193 V N 6.188 126.102 119.914 -0.001 0.000 2.370 193 V HA 0.222 4.343 4.120 0.001 0.000 0.279 193 V C -1.456 174.565 176.094 -0.121 0.000 1.029 193 V CA -1.482 60.797 62.300 -0.035 0.000 0.870 193 V CB 0.786 32.662 31.823 0.088 0.000 0.984 193 V HN 0.797 nan 8.190 nan 0.000 0.451 194 P HA 0.620 nan 4.420 nan 0.000 0.284 194 P C -0.670 176.312 177.300 -0.529 0.000 1.292 194 P CA -0.321 62.518 63.100 -0.435 0.000 0.800 194 P CB 1.812 33.166 31.700 -0.577 0.000 1.188 195 S N -3.043 112.426 115.700 -0.385 0.000 2.636 195 S HA 0.683 5.153 4.470 0.001 0.000 0.268 195 S C -0.087 174.535 174.600 0.036 0.000 1.159 195 S CA 0.045 58.088 58.200 -0.263 0.000 0.815 195 S CB 0.829 63.593 63.200 -0.726 0.000 1.130 195 S HN 1.028 nan 8.310 nan 0.000 0.471 196 G N 0.925 109.788 108.800 0.106 0.000 2.681 196 G HA2 -0.059 3.902 3.960 0.001 0.000 0.220 196 G HA3 -0.059 3.902 3.960 0.001 0.000 0.220 196 G C -0.853 174.174 174.900 0.211 0.000 1.353 196 G CA -0.450 44.725 45.100 0.125 0.000 0.872 196 G HN 0.910 nan 8.290 nan 0.000 0.557 197 R N -0.542 120.029 120.500 0.118 0.000 2.500 197 R HA 0.688 5.028 4.340 0.001 0.000 0.275 197 R C 0.101 176.443 176.300 0.069 0.000 1.051 197 R CA 0.281 56.422 56.100 0.069 0.000 1.088 197 R CB 1.489 31.808 30.300 0.032 0.000 1.063 197 R HN 0.704 nan 8.270 nan 0.000 0.511 198 T N 0.223 114.770 114.554 -0.012 0.000 2.923 198 T HA 0.297 4.648 4.350 0.001 0.000 0.311 198 T C -1.058 173.603 174.700 -0.066 0.000 1.183 198 T CA -0.534 61.561 62.100 -0.009 0.000 1.020 198 T CB 1.721 70.592 68.868 0.005 0.000 1.165 198 T HN 0.465 nan 8.240 nan 0.000 0.482 199 T N 4.446 118.976 114.554 -0.040 0.000 2.795 199 T HA 0.579 4.930 4.350 0.001 0.000 0.282 199 T C -0.415 174.250 174.700 -0.058 0.000 0.980 199 T CA -0.511 61.555 62.100 -0.056 0.000 1.012 199 T CB 0.433 69.280 68.868 -0.036 0.000 0.936 199 T HN 0.418 nan 8.240 nan 0.000 0.457 200 L N 3.473 124.644 121.223 -0.085 0.000 2.280 200 L HA 0.502 4.843 4.340 0.001 0.000 0.287 200 L C 0.367 177.209 176.870 -0.047 0.000 1.023 200 L CA -0.796 54.009 54.840 -0.057 0.000 0.819 200 L CB 1.193 43.196 42.059 -0.094 0.000 1.212 200 L HN 0.418 nan 8.230 nan 0.000 0.420 201 K N 5.693 126.081 120.400 -0.020 0.000 2.248 201 K HA 0.594 4.915 4.320 0.001 0.000 0.281 201 K C -0.671 175.935 176.600 0.010 0.000 1.054 201 K CA -0.440 55.837 56.287 -0.017 0.000 0.903 201 K CB 0.946 33.435 32.500 -0.018 0.000 1.077 201 K HN 0.640 nan 8.250 nan 0.000 0.474 202 I N 0.149 120.722 120.570 0.005 0.000 3.002 202 I HA 0.621 4.792 4.170 0.001 0.000 0.310 202 I C -1.105 175.028 176.117 0.026 0.000 1.087 202 I CA -1.370 59.955 61.300 0.041 0.000 1.017 202 I CB 2.121 40.130 38.000 0.015 0.000 1.226 202 I HN 0.527 nan 8.210 nan 0.000 0.443 203 R N 2.492 123.019 120.500 0.046 0.000 2.561 203 R HA 0.520 4.861 4.340 0.001 0.000 0.297 203 R C -0.828 175.519 176.300 0.078 0.000 0.969 203 R CA -0.696 55.433 56.100 0.047 0.000 0.879 203 R CB 1.334 31.655 30.300 0.035 0.000 1.178 203 R HN 0.641 nan 8.270 nan 0.000 0.445 204 R N 3.976 124.528 120.500 0.087 0.000 2.615 204 R HA 0.159 4.500 4.340 0.001 0.000 0.270 204 R C -1.689 174.693 176.300 0.138 0.000 1.081 204 R CA -2.200 53.976 56.100 0.127 0.000 1.154 204 R CB 0.224 30.612 30.300 0.147 0.000 1.063 204 R HN 0.581 nan 8.270 nan 0.000 0.519 205 P HA -0.105 nan 4.420 nan 0.000 0.220 205 P C 0.762 178.016 177.300 -0.076 0.000 1.148 205 P CA 1.266 64.388 63.100 0.037 0.000 0.803 205 P CB 0.065 31.782 31.700 0.029 0.000 0.782 206 F N -0.432 119.558 119.950 0.067 0.000 2.811 206 F HA 0.246 4.774 4.527 0.001 0.000 0.301 206 F C 2.006 177.829 175.800 0.038 0.000 1.151 206 F CA 1.180 59.209 58.000 0.049 0.000 1.412 206 F CB -0.343 38.682 39.000 0.042 0.000 1.113 206 F HN 0.098 nan 8.300 nan 0.000 0.579 207 G N -0.805 108.082 108.800 0.145 0.000 2.313 207 G HA2 -0.247 3.714 3.960 0.001 0.000 0.215 207 G HA3 -0.247 3.714 3.960 0.001 0.000 0.215 207 G C 0.666 175.616 174.900 0.084 0.000 1.023 207 G CA 0.026 45.185 45.100 0.098 0.000 0.626 207 G HN 0.199 nan 8.290 nan 0.000 0.503 208 T N 2.072 116.684 114.554 0.097 0.000 2.898 208 T HA 0.516 4.867 4.350 0.001 0.000 0.301 208 T C 0.421 175.149 174.700 0.047 0.000 1.049 208 T CA 1.158 63.295 62.100 0.062 0.000 1.095 208 T CB 0.862 69.763 68.868 0.054 0.000 0.976 208 T HN 0.240 nan 8.240 nan 0.000 0.539 209 T N 5.220 119.790 114.554 0.028 0.000 2.902 209 T HA 0.597 4.947 4.350 0.001 0.000 0.283 209 T C -0.273 174.429 174.700 0.003 0.000 1.009 209 T CA -0.828 61.281 62.100 0.015 0.000 1.051 209 T CB 0.621 69.495 68.868 0.010 0.000 0.999 209 T HN 0.293 nan 8.240 nan 0.000 0.474 210 R N 2.022 122.516 120.500 -0.009 0.000 2.725 210 R HA 0.388 4.729 4.340 0.001 0.000 0.277 210 R C -0.922 175.355 176.300 -0.039 0.000 0.987 210 R CA -0.760 55.324 56.100 -0.026 0.000 0.901 210 R CB 1.792 32.068 30.300 -0.039 0.000 1.207 210 R HN 0.665 nan 8.270 nan 0.000 0.463 211 E N 1.870 122.045 120.200 -0.042 0.000 2.114 211 E HA 0.306 4.657 4.350 0.001 0.000 0.266 211 E C -0.636 175.924 176.600 -0.067 0.000 0.896 211 E CA -0.677 55.694 56.400 -0.049 0.000 0.750 211 E CB 2.365 32.044 29.700 -0.034 0.000 1.121 211 E HN 0.114 nan 8.360 nan 0.000 0.413 212 V N 3.751 123.605 119.914 -0.099 0.000 2.328 212 V HA 0.234 4.355 4.120 0.001 0.000 0.278 212 V C 0.187 176.207 176.094 -0.123 0.000 1.021 212 V CA -0.760 61.464 62.300 -0.126 0.000 0.838 212 V CB 0.987 32.688 31.823 -0.203 0.000 0.999 212 V HN 0.478 nan 8.190 nan 0.000 0.447 213 R N 4.137 124.586 120.500 -0.086 0.000 2.267 213 R HA 0.556 4.897 4.340 0.001 0.000 0.319 213 R C -0.894 175.354 176.300 -0.087 0.000 1.067 213 R CA 0.205 56.261 56.100 -0.073 0.000 0.936 213 R CB 0.861 31.138 30.300 -0.038 0.000 1.006 213 R HN 0.515 nan 8.270 nan 0.000 0.452 214 V N 4.253 124.095 119.914 -0.119 0.000 3.001 214 V HA 0.481 4.601 4.120 0.001 0.000 0.314 214 V C -0.640 175.381 176.094 -0.121 0.000 1.099 214 V CA -0.957 61.263 62.300 -0.133 0.000 0.989 214 V CB 2.344 34.033 31.823 -0.223 0.000 1.040 214 V HN 0.693 nan 8.190 nan 0.000 0.434 215 K N 2.209 122.565 120.400 -0.073 0.000 2.323 215 K HA 0.344 4.664 4.320 0.001 0.000 0.259 215 K C -1.204 175.417 176.600 0.035 0.000 0.947 215 K CA -0.555 55.733 56.287 0.001 0.000 0.819 215 K CB 0.981 33.522 32.500 0.069 0.000 1.109 215 K HN 0.619 nan 8.250 nan 0.000 0.429 216 W N 2.864 124.204 121.300 0.067 0.000 2.231 216 W HA 0.044 4.705 4.660 0.001 0.000 0.341 216 W C 0.666 177.273 176.519 0.146 0.000 1.298 216 W CA -0.107 57.300 57.345 0.104 0.000 1.266 216 W CB 0.404 29.938 29.460 0.124 0.000 1.172 216 W HN 0.385 nan 8.180 nan 0.000 0.568 217 R N 3.276 124.058 120.500 0.470 0.000 2.220 217 R HA 0.168 4.509 4.340 0.001 0.000 0.340 217 R C -1.060 175.493 176.300 0.421 0.000 1.076 217 R CA -0.473 55.848 56.100 0.369 0.000 0.920 217 R CB -0.078 30.431 30.300 0.348 0.000 1.062 217 R HN 0.399 nan 8.270 nan 0.000 0.469 218 Y N 2.818 123.242 120.300 0.206 0.000 2.360 218 Y HA 0.485 5.036 4.550 0.001 0.000 0.337 218 Y C -0.892 175.066 175.900 0.096 0.000 1.039 218 Y CA -0.848 57.335 58.100 0.139 0.000 1.109 218 Y CB 1.293 39.818 38.460 0.109 0.000 1.201 218 Y HN 0.196 nan 8.280 nan 0.000 0.458 219 V N 8.846 128.407 119.914 -0.587 0.000 2.407 219 V HA 0.376 4.497 4.120 0.001 0.000 0.291 219 V C -2.189 173.388 176.094 -0.863 0.000 1.018 219 V CA -1.954 60.059 62.300 -0.478 0.000 0.842 219 V CB 1.426 33.113 31.823 -0.227 0.000 0.996 219 V HN 0.703 nan 8.190 nan 0.000 0.426 220 P HA 0.151 nan 4.420 nan 0.000 0.272 220 P C -0.491 176.704 177.300 -0.176 0.000 1.240 220 P CA -0.288 62.614 63.100 -0.330 0.000 0.791 220 P CB 1.067 32.766 31.700 -0.002 0.000 0.978 221 E N 0.041 120.202 120.200 -0.065 0.000 2.360 221 E HA 0.289 4.640 4.350 0.001 0.000 0.269 221 E C 1.181 177.773 176.600 -0.013 0.000 1.022 221 E CA 0.252 56.634 56.400 -0.030 0.000 0.887 221 E CB -0.115 29.590 29.700 0.008 0.000 0.990 221 E HN 0.565 nan 8.360 nan 0.000 0.426 222 G N 2.800 111.593 108.800 -0.011 0.000 3.044 222 G HA2 0.097 4.057 3.960 0.001 0.000 0.223 222 G HA3 0.097 4.057 3.960 0.001 0.000 0.223 222 G C -0.464 174.439 174.900 0.006 0.000 1.123 222 G CA -0.122 44.976 45.100 -0.003 0.000 0.765 222 G HN 0.373 nan 8.290 nan 0.000 0.546 223 V N 2.039 121.961 119.914 0.014 0.000 2.294 223 V HA 0.540 4.661 4.120 0.001 0.000 0.272 223 V C 0.977 177.082 176.094 0.018 0.000 1.027 223 V CA -0.947 61.364 62.300 0.019 0.000 0.823 223 V CB 0.730 32.579 31.823 0.043 0.000 1.030 223 V HN 0.221 nan 8.190 nan 0.000 0.457 224 G N 3.463 112.269 108.800 0.011 0.000 2.225 224 G HA2 -0.021 3.939 3.960 0.001 0.000 0.245 224 G HA3 -0.021 3.939 3.960 0.001 0.000 0.245 224 G C 0.121 175.030 174.900 0.015 0.000 1.249 224 G CA -0.051 45.056 45.100 0.012 0.000 0.919 224 G HN 0.723 nan 8.290 nan 0.000 0.486 225 D N 1.707 122.118 120.400 0.018 0.000 2.493 225 D HA -0.071 4.570 4.640 0.001 0.000 0.240 225 D C 1.425 177.736 176.300 0.018 0.000 1.142 225 D CA -0.484 53.528 54.000 0.020 0.000 0.872 225 D CB 1.025 41.838 40.800 0.021 0.000 1.173 225 D HN 0.145 nan 8.370 nan 0.000 0.467 226 L N 5.339 126.574 121.223 0.021 0.000 2.131 226 L HA -0.100 4.241 4.340 0.001 0.000 0.210 226 L C 2.295 179.175 176.870 0.017 0.000 1.092 226 L CA 1.911 56.763 54.840 0.019 0.000 0.759 226 L CB -0.690 41.384 42.059 0.026 0.000 0.903 226 L HN 0.603 nan 8.230 nan 0.000 0.435 227 A N -1.771 121.060 122.820 0.019 0.000 1.940 227 A HA -0.212 4.108 4.320 0.001 0.000 0.219 227 A C 2.254 179.842 177.584 0.006 0.000 1.176 227 A CA 2.292 54.337 52.037 0.013 0.000 0.631 227 A CB -1.001 18.007 19.000 0.013 0.000 0.814 227 A HN 0.486 nan 8.150 nan 0.000 0.446 228 T N -0.068 114.490 114.554 0.008 0.000 2.857 228 T HA 0.036 4.387 4.350 0.001 0.000 0.266 228 T C 1.710 176.413 174.700 0.004 0.000 1.048 228 T CA 1.333 63.435 62.100 0.005 0.000 1.139 228 T CB -0.281 68.591 68.868 0.007 0.000 0.874 228 T HN 0.451 nan 8.240 nan 0.000 0.455 229 I N 1.280 121.854 120.570 0.005 0.000 2.617 229 I HA 0.002 4.173 4.170 0.001 0.000 0.256 229 I C 2.880 178.999 176.117 0.003 0.000 1.167 229 I CA 0.389 61.691 61.300 0.003 0.000 1.469 229 I CB -0.512 37.490 38.000 0.003 0.000 1.098 229 I HN 0.148 nan 8.210 nan 0.000 0.436 230 A N 2.638 125.461 122.820 0.005 0.000 1.894 230 A HA -0.215 4.105 4.320 0.001 0.000 0.220 230 A C 0.333 177.918 177.584 0.002 0.000 1.237 230 A CA 2.444 54.484 52.037 0.005 0.000 0.660 230 A CB -2.296 16.708 19.000 0.006 0.000 0.835 230 A HN 0.318 nan 8.150 nan 0.000 0.461 231 P HA -0.143 nan 4.420 nan 0.000 0.218 231 P C 1.190 178.490 177.300 -0.001 0.000 1.146 231 P CA 2.006 65.106 63.100 -0.001 0.000 0.813 231 P CB -0.368 31.331 31.700 -0.002 0.000 0.778 232 S N -1.685 114.015 115.700 -0.000 0.000 2.577 232 S HA 0.167 4.638 4.470 0.001 0.000 0.219 232 S C 0.804 175.403 174.600 -0.001 0.000 0.962 232 S CA -0.528 57.671 58.200 -0.001 0.000 0.921 232 S CB -0.918 62.282 63.200 -0.001 0.000 0.789 232 S HN 0.029 nan 8.310 nan 0.000 0.497 233 I N 3.355 123.925 120.570 -0.000 0.000 2.363 233 I HA 0.260 4.431 4.170 0.001 0.000 0.292 233 I C 0.582 176.698 176.117 -0.001 0.000 1.075 233 I CA -0.294 61.006 61.300 -0.001 0.000 1.333 233 I CB 0.486 38.487 38.000 0.001 0.000 1.415 233 I HN 0.115 nan 8.210 nan 0.000 0.502 234 R N 4.624 125.123 120.500 -0.002 0.000 2.643 234 R HA 0.713 5.054 4.340 0.001 0.000 0.272 234 R C -0.075 176.224 176.300 -0.002 0.000 0.995 234 R CA -0.899 55.200 56.100 -0.001 0.000 1.032 234 R CB 1.236 31.535 30.300 -0.002 0.000 1.126 234 R HN 0.652 nan 8.270 nan 0.000 0.505 235 A N 2.754 125.573 122.820 -0.001 0.000 2.466 235 A HA 0.228 4.549 4.320 0.001 0.000 0.238 235 A C -1.736 175.847 177.584 -0.002 0.000 1.074 235 A CA -0.932 51.105 52.037 -0.001 0.000 0.774 235 A CB -0.487 18.513 19.000 -0.001 0.000 1.015 235 A HN 0.521 nan 8.150 nan 0.000 0.498 236 P HA 0.257 nan 4.420 nan 0.000 0.281 236 P C -1.048 176.251 177.300 -0.003 0.000 1.252 236 P CA 0.049 63.147 63.100 -0.003 0.000 0.778 236 P CB 0.902 32.600 31.700 -0.003 0.000 0.895 237 Q N 1.593 121.391 119.800 -0.003 0.000 2.372 237 Q HA 0.415 4.756 4.340 0.001 0.000 0.273 237 Q C 0.057 176.055 176.000 -0.003 0.000 1.078 237 Q CA -1.031 54.770 55.803 -0.003 0.000 0.806 237 Q CB 2.464 31.201 28.738 -0.002 0.000 1.332 237 Q HN 0.413 nan 8.270 nan 0.000 0.435 285 Y N 0.694 121.108 120.300 0.190 0.000 2.490 285 Y HA 0.213 4.763 4.550 0.001 0.000 0.281 285 Y C 1.704 177.709 175.900 0.175 0.000 1.174 285 Y CA -0.047 58.161 58.100 0.181 0.000 1.295 285 Y CB 0.127 38.622 38.460 0.058 0.000 1.062 285 Y HN 0.241 nan 8.280 nan 0.000 0.522 286 N N 1.325 120.174 118.700 0.250 0.000 2.458 286 N HA 0.051 4.792 4.740 0.001 0.000 0.258 286 N C -0.316 175.296 175.510 0.171 0.000 1.219 286 N CA -0.022 53.143 53.050 0.191 0.000 0.902 286 N CB 0.769 39.337 38.487 0.137 0.000 1.076 286 N HN 0.117 nan 8.380 nan 0.000 0.455 287 I N 1.335 122.003 120.570 0.163 0.000 2.683 287 I HA -0.093 4.078 4.170 0.001 0.000 0.286 287 I C 1.524 177.699 176.117 0.098 0.000 1.175 287 I CA 0.714 62.106 61.300 0.152 0.000 1.429 287 I CB 0.387 38.476 38.000 0.148 0.000 1.371 287 I HN 0.854 nan 8.210 nan 0.000 0.569 288 G N 3.947 112.796 108.800 0.082 0.000 2.176 288 G HA2 -0.287 3.673 3.960 0.001 0.000 0.253 288 G HA3 -0.287 3.673 3.960 0.001 0.000 0.253 288 G C 0.479 175.390 174.900 0.019 0.000 0.979 288 G CA 0.279 45.399 45.100 0.033 0.000 0.641 288 G HN 0.726 nan 8.290 nan 0.000 0.530 289 S N 0.273 115.999 115.700 0.044 0.000 2.546 289 S HA 0.404 4.874 4.470 0.001 0.000 0.290 289 S C 1.889 176.494 174.600 0.009 0.000 1.290 289 S CA 1.189 59.409 58.200 0.033 0.000 1.069 289 S CB 0.702 63.936 63.200 0.056 0.000 0.846 289 S HN 0.475 nan 8.310 nan 0.000 0.495 290 T N 4.220 118.772 114.554 -0.003 0.000 2.684 290 T HA -0.099 4.252 4.350 0.001 0.000 0.267 290 T C 0.983 175.698 174.700 0.025 0.000 1.036 290 T CA 1.745 63.839 62.100 -0.009 0.000 1.148 290 T CB -0.352 68.502 68.868 -0.024 0.000 0.863 290 T HN 0.683 nan 8.240 nan 0.000 0.436 291 D N -0.061 120.353 120.400 0.023 0.000 2.305 291 D HA 0.268 4.909 4.640 0.001 0.000 0.206 291 D C 1.414 177.711 176.300 -0.006 0.000 0.974 291 D CA 0.896 54.917 54.000 0.035 0.000 0.871 291 D CB -0.238 40.573 40.800 0.019 0.000 0.947 291 D HN 0.497 nan 8.370 nan 0.000 0.516 292 G N 0.963 109.737 108.800 -0.042 0.000 2.645 292 G HA2 -0.266 3.694 3.960 0.001 0.000 0.239 292 G HA3 -0.266 3.694 3.960 0.001 0.000 0.239 292 G C 0.206 174.982 174.900 -0.208 0.000 1.331 292 G CA 0.019 45.027 45.100 -0.153 0.000 0.890 292 G HN 0.310 nan 8.290 nan 0.000 0.572 293 F N -1.537 118.228 119.950 -0.309 0.000 2.746 293 F HA 0.643 5.171 4.527 0.001 0.000 0.320 293 F C 0.546 176.085 175.800 -0.435 0.000 1.097 293 F CA -0.867 56.830 58.000 -0.504 0.000 1.195 293 F CB -0.056 38.358 39.000 -0.977 0.000 1.056 293 F HN 0.330 nan 8.300 nan 0.000 0.562 294 L N 4.595 125.502 121.223 -0.527 0.000 2.305 294 L HA 0.424 4.764 4.340 0.001 0.000 0.281 294 L C -1.884 174.885 176.870 -0.168 0.000 1.085 294 L CA -1.921 52.714 54.840 -0.342 0.000 0.813 294 L CB 0.588 42.486 42.059 -0.268 0.000 1.157 294 L HN -0.083 nan 8.230 nan 0.000 0.436 295 P HA 0.110 nan 4.420 nan 0.000 0.274 295 P C -0.517 176.700 177.300 -0.139 0.000 1.246 295 P CA -0.475 62.591 63.100 -0.057 0.000 0.795 295 P CB 0.937 32.664 31.700 0.045 0.000 1.006 296 V N -0.159 119.637 119.914 -0.196 0.000 2.788 296 V HA -0.039 4.081 4.120 0.001 0.000 0.307 296 V C 1.763 177.802 176.094 -0.091 0.000 1.069 296 V CA 0.111 62.252 62.300 -0.265 0.000 1.173 296 V CB -0.720 30.839 31.823 -0.439 0.000 0.925 296 V HN 0.586 nan 8.190 nan 0.000 0.492 297 I N 0.804 121.380 120.570 0.010 0.000 3.111 297 I HA 0.569 4.740 4.170 0.001 0.000 0.272 297 I C 0.871 177.031 176.117 0.072 0.000 1.268 297 I CA 0.884 62.225 61.300 0.067 0.000 1.467 297 I CB -0.430 37.640 38.000 0.115 0.000 1.087 297 I HN 0.950 nan 8.210 nan 0.000 0.467 298 G N 1.334 110.168 108.800 0.056 0.000 2.430 298 G HA2 0.326 4.286 3.960 0.001 0.000 0.300 298 G HA3 0.326 4.286 3.960 0.001 0.000 0.300 298 G C -3.183 171.727 174.900 0.017 0.000 1.330 298 G CA -0.761 44.368 45.100 0.047 0.000 0.813 298 G HN -0.089 nan 8.290 nan 0.000 0.487 299 P HA 0.264 nan 4.420 nan 0.000 0.266 299 P C 0.185 177.505 177.300 0.034 0.000 1.215 299 P CA 0.080 63.186 63.100 0.009 0.000 0.763 299 P CB 1.081 32.794 31.700 0.022 0.000 0.806 300 V N 5.818 125.724 119.914 -0.012 0.000 2.521 300 V HA -0.065 4.055 4.120 0.001 0.000 0.286 300 V C 1.940 178.090 176.094 0.093 0.000 1.034 300 V CA 0.323 62.641 62.300 0.029 0.000 1.045 300 V CB 0.394 32.156 31.823 -0.102 0.000 0.974 300 V HN 0.566 nan 8.190 nan 0.000 0.480 301 I N 2.851 123.531 120.570 0.184 0.000 3.708 301 I HA 0.402 4.573 4.170 0.001 0.000 0.302 301 I C 0.089 176.387 176.117 0.301 0.000 1.255 301 I CA 0.370 61.788 61.300 0.197 0.000 1.362 301 I CB 0.333 38.447 38.000 0.189 0.000 1.100 301 I HN 0.586 nan 8.210 nan 0.000 0.434 302 W N 1.057 122.433 121.300 0.128 0.000 3.372 302 W HA 0.589 5.249 4.660 0.001 0.000 0.315 302 W C -1.715 174.909 176.519 0.175 0.000 1.223 302 W CA -0.696 56.724 57.345 0.124 0.000 1.202 302 W CB 1.006 30.538 29.460 0.120 0.000 1.367 302 W HN 0.087 nan 8.180 nan 0.000 0.531 303 E N 3.916 123.568 120.200 -0.913 0.000 2.263 303 E HA 0.462 4.812 4.350 0.001 0.000 0.268 303 E C -1.186 174.633 176.600 -1.302 0.000 0.884 303 E CA -0.593 55.306 56.400 -0.835 0.000 0.766 303 E CB 2.087 31.580 29.700 -0.346 0.000 1.196 303 E HN 0.270 nan 8.360 nan 0.000 0.416 304 S N 2.726 117.723 115.700 -1.172 0.000 2.585 304 S HA 0.104 4.575 4.470 0.001 0.000 0.273 304 S C 0.332 174.764 174.600 -0.281 0.000 1.339 304 S CA -0.029 57.748 58.200 -0.705 0.000 1.028 304 S CB 0.752 63.758 63.200 -0.323 0.000 0.906 304 S HN 0.639 nan 8.310 nan 0.000 0.528 305 E N 1.839 121.965 120.200 -0.124 0.000 2.538 305 E HA 0.214 4.564 4.350 0.001 0.000 0.207 305 E C 0.947 177.549 176.600 0.005 0.000 1.002 305 E CA -0.246 56.121 56.400 -0.055 0.000 0.952 305 E CB 0.635 30.312 29.700 -0.038 0.000 1.031 305 E HN 0.701 nan 8.360 nan 0.000 0.476 306 G N 0.756 109.583 108.800 0.045 0.000 2.975 306 G HA2 0.098 4.059 3.960 0.001 0.000 0.159 306 G HA3 0.098 4.059 3.960 0.001 0.000 0.159 306 G C 0.697 175.642 174.900 0.074 0.000 1.525 306 G CA -0.424 44.723 45.100 0.078 0.000 1.075 306 G HN -0.016 nan 8.290 nan 0.000 0.574 307 L N -0.644 120.631 121.223 0.086 0.000 2.109 307 L HA 0.316 4.657 4.340 0.001 0.000 0.207 307 L C 0.797 177.615 176.870 -0.086 0.000 1.086 307 L CA 0.642 55.463 54.840 -0.031 0.000 0.760 307 L CB -0.670 41.318 42.059 -0.118 0.000 0.910 307 L HN 0.206 nan 8.230 nan 0.000 0.437 308 F N -0.573 119.420 119.950 0.073 0.000 2.375 308 F HA 0.314 4.842 4.527 0.001 0.000 0.333 308 F C 1.068 176.904 175.800 0.060 0.000 1.104 308 F CA -0.500 57.544 58.000 0.073 0.000 1.149 308 F CB 0.355 39.408 39.000 0.087 0.000 1.190 308 F HN -0.188 nan 8.300 nan 0.000 0.533 309 R N 2.223 122.892 120.500 0.283 0.000 2.216 309 R HA 0.685 5.026 4.340 0.001 0.000 0.332 309 R C -1.377 175.103 176.300 0.300 0.000 1.056 309 R CA -0.176 56.075 56.100 0.251 0.000 0.901 309 R CB 0.178 30.634 30.300 0.260 0.000 1.039 309 R HN 0.810 nan 8.270 nan 0.000 0.456 310 A N 4.547 127.526 122.820 0.264 0.000 2.540 310 A HA 0.557 4.877 4.320 0.001 0.000 0.297 310 A C -1.872 175.873 177.584 0.269 0.000 1.056 310 A CA -0.731 51.463 52.037 0.261 0.000 0.700 310 A CB 0.999 20.089 19.000 0.150 0.000 1.280 310 A HN 0.820 nan 8.150 nan 0.000 0.398 311 Y N -0.858 119.674 120.300 0.387 0.000 2.764 311 Y HA 0.838 5.389 4.550 0.001 0.000 0.331 311 Y C -1.495 174.726 175.900 0.536 0.000 1.280 311 Y CA -1.602 56.681 58.100 0.304 0.000 1.065 311 Y CB 0.902 39.417 38.460 0.092 0.000 1.319 311 Y HN 0.544 nan 8.280 nan 0.000 0.453 312 I N 1.898 122.895 120.570 0.713 0.000 2.498 312 I HA 0.623 4.794 4.170 0.001 0.000 0.290 312 I C -0.787 175.611 176.117 0.468 0.000 1.032 312 I CA -0.575 61.029 61.300 0.506 0.000 1.073 312 I CB 2.178 40.480 38.000 0.504 0.000 1.251 312 I HN 0.715 nan 8.210 nan 0.000 0.426 313 S N 2.374 118.285 115.700 0.351 0.000 2.704 313 S HA 0.574 5.045 4.470 0.001 0.000 0.296 313 S C -0.662 174.045 174.600 0.178 0.000 1.138 313 S CA -0.740 57.622 58.200 0.270 0.000 0.875 313 S CB 2.144 65.527 63.200 0.304 0.000 1.151 313 S HN 0.685 nan 8.310 nan 0.000 0.500 314 S N 0.497 116.277 115.700 0.134 0.000 2.442 314 S HA 0.723 5.193 4.470 0.001 0.000 0.297 314 S C -0.744 173.916 174.600 0.099 0.000 1.131 314 S CA -0.619 57.645 58.200 0.105 0.000 1.092 314 S CB 0.892 64.137 63.200 0.075 0.000 0.998 314 S HN 0.403 nan 8.310 nan 0.000 0.478 315 V N 3.323 123.305 119.914 0.112 0.000 2.459 315 V HA 0.670 4.790 4.120 0.001 0.000 0.295 315 V C 0.441 176.604 176.094 0.114 0.000 1.029 315 V CA -0.531 61.835 62.300 0.111 0.000 0.874 315 V CB 1.684 33.577 31.823 0.117 0.000 0.985 315 V HN 1.111 nan 8.190 nan 0.000 0.438 316 T N 0.285 114.888 114.554 0.082 0.000 2.855 316 T HA 0.617 4.968 4.350 0.001 0.000 0.281 316 T C -0.462 174.284 174.700 0.076 0.000 1.007 316 T CA -0.852 61.283 62.100 0.059 0.000 1.009 316 T CB 1.728 70.611 68.868 0.025 0.000 0.983 316 T HN 0.716 nan 8.240 nan 0.000 0.455 317 D N 1.672 122.123 120.400 0.085 0.000 2.478 317 D HA 0.320 4.961 4.640 0.001 0.000 0.274 317 D C 1.696 178.023 176.300 0.045 0.000 1.234 317 D CA -0.296 53.753 54.000 0.080 0.000 1.069 317 D CB -0.269 40.599 40.800 0.113 0.000 1.113 317 D HN 0.648 nan 8.370 nan 0.000 0.571 318 G N -1.325 107.498 108.800 0.039 0.000 2.509 318 G HA2 -0.171 3.789 3.960 0.001 0.000 0.218 318 G HA3 -0.171 3.789 3.960 0.001 0.000 0.218 318 G C 0.728 175.641 174.900 0.021 0.000 1.124 318 G CA 0.376 45.492 45.100 0.027 0.000 0.776 318 G HN 0.479 nan 8.290 nan 0.000 0.547 319 D N -0.168 120.244 120.400 0.021 0.000 2.349 319 D HA 0.170 4.811 4.640 0.001 0.000 0.214 319 D C 1.956 178.259 176.300 0.004 0.000 1.063 319 D CA 0.801 54.809 54.000 0.013 0.000 0.847 319 D CB 0.331 41.139 40.800 0.013 0.000 0.933 319 D HN 0.355 nan 8.370 nan 0.000 0.513 320 G N 1.776 110.579 108.800 0.004 0.000 2.157 320 G HA2 -0.291 3.669 3.960 0.001 0.000 0.239 320 G HA3 -0.291 3.669 3.960 0.001 0.000 0.239 320 G C 0.418 175.300 174.900 -0.031 0.000 0.982 320 G CA 0.007 45.104 45.100 -0.006 0.000 0.650 320 G HN 0.337 nan 8.290 nan 0.000 0.527 321 K N 1.336 121.708 120.400 -0.047 0.000 2.349 321 K HA 0.493 4.814 4.320 0.001 0.000 0.288 321 K C 0.118 176.582 176.600 -0.226 0.000 1.058 321 K CA -0.017 56.193 56.287 -0.129 0.000 0.953 321 K CB 0.216 32.644 32.500 -0.120 0.000 0.997 321 K HN 0.129 nan 8.250 nan 0.000 0.477 322 S N 3.415 118.966 115.700 -0.249 0.000 2.541 322 S HA 0.342 4.813 4.470 0.001 0.000 0.283 322 S C -0.878 173.494 174.600 -0.380 0.000 1.196 322 S CA -0.791 57.280 58.200 -0.216 0.000 1.062 322 S CB 0.687 63.839 63.200 -0.080 0.000 1.009 322 S HN 0.524 nan 8.310 nan 0.000 0.502 323 H N 1.328 120.414 119.070 0.026 0.000 2.717 323 H HA 0.357 4.914 4.556 0.001 0.000 0.366 323 H C -0.620 174.729 175.328 0.036 0.000 1.132 323 H CA -0.745 55.318 56.048 0.025 0.000 1.180 323 H CB 1.407 31.180 29.762 0.017 0.000 1.678 323 H HN 0.444 nan 8.280 nan 0.000 0.537 324 K N 2.116 122.614 120.400 0.163 0.000 2.258 324 K HA 0.434 4.755 4.320 0.001 0.000 0.284 324 K C -0.592 176.068 176.600 0.100 0.000 1.051 324 K CA -0.532 55.829 56.287 0.122 0.000 0.923 324 K CB 1.493 34.056 32.500 0.105 0.000 1.046 324 K HN 0.149 nan 8.250 nan 0.000 0.474 325 V N 1.705 121.669 119.914 0.083 0.000 2.709 325 V HA 0.381 4.502 4.120 0.001 0.000 0.308 325 V C 0.362 176.413 176.094 -0.072 0.000 1.062 325 V CA -1.043 61.261 62.300 0.006 0.000 0.901 325 V CB 2.025 33.861 31.823 0.022 0.000 1.003 325 V HN 0.941 nan 8.190 nan 0.000 0.425 326 G N 2.106 110.718 108.800 -0.314 0.000 2.448 326 G HA2 0.597 4.557 3.960 0.001 0.000 0.285 326 G HA3 0.597 4.557 3.960 0.001 0.000 0.285 326 G C -1.404 173.150 174.900 -0.576 0.000 1.176 326 G CA -0.193 44.490 45.100 -0.696 0.000 0.852 326 G HN 0.563 nan 8.290 nan 0.000 0.530 327 F N 2.762 122.303 119.950 -0.682 0.000 2.539 327 F HA 0.657 5.185 4.527 0.001 0.000 0.318 327 F C -1.175 174.417 175.800 -0.346 0.000 1.135 327 F CA -1.282 56.358 58.000 -0.601 0.000 0.915 327 F CB 1.850 40.251 39.000 -0.997 0.000 1.176 327 F HN 0.406 nan 8.300 nan 0.000 0.440 328 L N 7.244 127.973 121.223 -0.823 0.000 2.464 328 L HA 0.579 4.919 4.340 0.001 0.000 0.266 328 L C -1.691 174.840 176.870 -0.565 0.000 0.965 328 L CA -0.571 54.030 54.840 -0.398 0.000 0.833 328 L CB 2.014 43.988 42.059 -0.141 0.000 1.296 328 L HN 0.903 nan 8.230 nan 0.000 0.405 329 R N 5.258 125.625 120.500 -0.220 0.000 2.387 329 R HA 0.638 4.979 4.340 0.001 0.000 0.314 329 R C -1.198 175.139 176.300 0.062 0.000 0.958 329 R CA -0.584 55.441 56.100 -0.125 0.000 0.846 329 R CB 1.270 31.590 30.300 0.033 0.000 1.147 329 R HN 0.723 nan 8.270 nan 0.000 0.447 330 I N 8.243 128.799 120.570 -0.024 0.000 2.306 330 I HA 0.255 4.425 4.170 0.001 0.000 0.288 330 I C -1.440 174.601 176.117 -0.127 0.000 1.036 330 I CA -2.214 59.076 61.300 -0.017 0.000 1.221 330 I CB 2.005 39.849 38.000 -0.260 0.000 1.385 330 I HN 0.567 nan 8.210 nan 0.000 0.472 331 P HA -0.013 nan 4.420 nan 0.000 0.221 331 P C 0.558 177.779 177.300 -0.132 0.000 1.155 331 P CA 0.949 63.997 63.100 -0.086 0.000 0.812 331 P CB 0.719 32.386 31.700 -0.055 0.000 0.801 332 T N -2.514 111.910 114.554 -0.217 0.000 2.802 332 T HA 0.398 4.748 4.350 0.001 0.000 0.311 332 T C -1.078 173.461 174.700 -0.269 0.000 1.405 332 T CA -0.416 61.570 62.100 -0.190 0.000 1.016 332 T CB 0.435 69.258 68.868 -0.076 0.000 1.352 332 T HN -0.228 nan 8.240 nan 0.000 0.498 333 Y N 1.343 121.752 120.300 0.182 0.000 2.467 333 Y HA 0.296 4.847 4.550 0.002 0.000 0.250 333 Y C 1.557 177.596 175.900 0.232 0.000 1.155 333 Y CA -0.336 57.977 58.100 0.355 0.000 1.249 333 Y CB 0.747 39.380 38.460 0.287 0.000 1.146 333 Y HN 0.573 nan 8.280 nan 0.000 0.524 334 S N 0.983 116.741 115.700 0.096 0.000 2.921 334 S HA 0.020 4.490 4.470 0.001 0.000 0.244 334 S C 1.085 175.487 174.600 -0.331 0.000 1.291 334 S CA -1.070 57.058 58.200 -0.120 0.000 1.010 334 S CB -0.734 62.394 63.200 -0.121 0.000 1.255 334 S HN 0.539 nan 8.310 nan 0.000 0.492 335 W N 2.902 123.871 121.300 -0.552 0.000 2.313 335 W HA -0.277 4.384 4.660 0.001 0.000 0.293 335 W C 0.861 176.942 176.519 -0.731 0.000 1.216 335 W CA 1.453 58.339 57.345 -0.766 0.000 1.223 335 W CB -1.259 27.527 29.460 -1.123 0.000 1.138 335 W HN 0.632 nan 8.180 nan 0.000 0.535 336 Q N 0.456 119.573 119.800 -1.139 0.000 2.291 336 Q HA -0.123 4.218 4.340 0.001 0.000 0.205 336 Q C 1.044 176.824 176.000 -0.366 0.000 0.970 336 Q CA 1.445 56.696 55.803 -0.920 0.000 0.876 336 Q CB -0.311 27.875 28.738 -0.920 0.000 0.935 336 Q HN 0.288 nan 8.270 nan 0.000 0.455 337 D N -0.037 120.171 120.400 -0.320 0.000 2.328 337 D HA 0.078 4.718 4.640 0.001 0.000 0.221 337 D C 0.252 176.485 176.300 -0.112 0.000 1.072 337 D CA 0.256 54.162 54.000 -0.156 0.000 0.850 337 D CB 0.126 40.845 40.800 -0.135 0.000 0.922 337 D HN 0.254 nan 8.370 nan 0.000 0.516 338 M N 0.963 120.470 119.600 -0.155 0.000 2.248 338 M HA 0.015 4.495 4.480 0.001 0.000 0.345 338 M C 0.610 176.897 176.300 -0.023 0.000 1.243 338 M CA 0.319 55.546 55.300 -0.122 0.000 1.090 338 M CB 0.603 33.075 32.600 -0.213 0.000 1.683 338 M HN -0.190 nan 8.290 nan 0.000 0.450 339 E N 2.675 122.853 120.200 -0.038 0.000 2.652 339 E HA -0.150 4.201 4.350 0.001 0.000 0.255 339 E C -0.258 176.349 176.600 0.013 0.000 0.952 339 E CA 0.631 57.025 56.400 -0.010 0.000 0.947 339 E CB 0.139 29.827 29.700 -0.019 0.000 0.912 339 E HN 0.589 nan 8.360 nan 0.000 0.489 340 D N 1.555 121.970 120.400 0.025 0.000 3.076 340 D HA -0.257 4.383 4.640 0.001 0.000 0.218 340 D C -0.287 176.042 176.300 0.050 0.000 1.156 340 D CA 0.641 54.652 54.000 0.019 0.000 0.921 340 D CB -1.460 39.343 40.800 0.004 0.000 1.113 340 D HN 0.302 nan 8.370 nan 0.000 0.418 341 F N 2.364 122.276 119.950 -0.063 0.000 2.538 341 F HA 0.223 4.750 4.527 0.001 0.000 0.371 341 F C 0.517 176.295 175.800 -0.037 0.000 1.087 341 F CA -0.469 57.499 58.000 -0.053 0.000 1.250 341 F CB 0.636 39.602 39.000 -0.057 0.000 1.110 341 F HN -0.232 nan 8.300 nan 0.000 0.570 342 D N 8.974 128.892 120.400 -0.805 0.000 2.454 342 D HA 0.250 4.891 4.640 0.001 0.000 0.225 342 D C -1.771 173.879 176.300 -1.083 0.000 1.081 342 D CA -2.275 51.304 54.000 -0.702 0.000 0.864 342 D CB 1.573 42.172 40.800 -0.334 0.000 1.040 342 D HN 0.320 nan 8.370 nan 0.000 0.517 343 P HA -0.134 nan 4.420 nan 0.000 0.226 343 P C 0.965 178.131 177.300 -0.224 0.000 1.146 343 P CA 0.661 63.438 63.100 -0.539 0.000 0.773 343 P CB 0.259 31.839 31.700 -0.201 0.000 0.772 344 S N -1.812 113.753 115.700 -0.225 0.000 2.548 344 S HA 0.232 4.703 4.470 0.001 0.000 0.215 344 S C 1.192 175.734 174.600 -0.097 0.000 0.976 344 S CA 0.030 58.163 58.200 -0.113 0.000 0.908 344 S CB -0.545 62.599 63.200 -0.093 0.000 0.781 344 S HN 0.166 nan 8.310 nan 0.000 0.519 345 G N 2.077 110.789 108.800 -0.147 0.000 2.642 345 G HA2 0.616 4.577 3.960 0.001 0.000 0.291 345 G HA3 0.616 4.577 3.960 0.001 0.000 0.291 345 G C -2.785 172.084 174.900 -0.052 0.000 1.345 345 G CA -1.865 43.181 45.100 -0.090 0.000 1.043 345 G HN 0.299 nan 8.290 nan 0.000 0.528 346 P HA 0.216 nan 4.420 nan 0.000 0.269 346 P C -2.496 174.741 177.300 -0.105 0.000 1.209 346 P CA -0.800 62.260 63.100 -0.065 0.000 0.776 346 P CB 0.599 32.270 31.700 -0.049 0.000 0.876 347 P HA 0.086 nan 4.420 nan 0.000 0.269 347 P C -1.773 175.101 177.300 -0.709 0.000 1.209 347 P CA -1.362 61.234 63.100 -0.838 0.000 0.776 347 P CB -0.178 30.239 31.700 -2.139 0.000 0.876 348 P HA -0.162 nan 4.420 nan 0.000 0.218 348 P C 1.205 178.682 177.300 0.295 0.000 1.146 348 P CA 1.637 64.758 63.100 0.035 0.000 0.813 348 P CB -0.480 31.243 31.700 0.038 0.000 0.778 349 W N 0.860 122.307 121.300 0.246 0.000 2.465 349 W HA 0.086 4.748 4.660 0.002 0.000 0.268 349 W C 1.680 178.309 176.519 0.183 0.000 1.242 349 W CA 0.469 57.946 57.345 0.220 0.000 1.248 349 W CB -1.624 27.893 29.460 0.096 0.000 1.118 349 W HN -0.023 nan 8.180 nan 0.000 0.587 350 E N 0.753 120.979 120.200 0.043 0.000 2.107 350 E HA -0.217 4.134 4.350 0.001 0.000 0.191 350 E C 2.090 178.764 176.600 0.123 0.000 0.982 350 E CA 1.418 57.878 56.400 0.100 0.000 0.809 350 E CB -0.221 29.466 29.700 -0.021 0.000 0.756 350 E HN 0.504 nan 8.360 nan 0.000 0.459 351 E N 0.207 120.505 120.200 0.162 0.000 2.072 351 E HA -0.192 4.159 4.350 0.001 0.000 0.191 351 E C 1.827 178.500 176.600 0.122 0.000 0.985 351 E CA 0.594 57.104 56.400 0.183 0.000 0.801 351 E CB -0.089 29.794 29.700 0.306 0.000 0.750 351 E HN 0.191 nan 8.360 nan 0.000 0.452 352 F N 1.277 121.216 119.950 -0.017 0.000 2.095 352 F HA -0.204 4.324 4.527 0.001 0.000 0.298 352 F C 2.158 177.839 175.800 -0.197 0.000 1.104 352 F CA 1.776 59.585 58.000 -0.319 0.000 1.232 352 F CB -0.382 38.456 39.000 -0.270 0.000 0.987 352 F HN 0.107 nan 8.300 nan 0.000 0.475 353 A N 0.459 123.362 122.820 0.137 0.000 1.908 353 A HA -0.202 4.119 4.320 0.001 0.000 0.218 353 A C 2.269 179.790 177.584 -0.105 0.000 1.181 353 A CA 1.725 53.760 52.037 -0.003 0.000 0.627 353 A CB -0.604 18.405 19.000 0.014 0.000 0.818 353 A HN 0.328 nan 8.150 nan 0.000 0.445 354 K N -0.228 120.129 120.400 -0.072 0.000 2.057 354 K HA -0.094 4.227 4.320 0.001 0.000 0.207 354 K C 1.876 178.350 176.600 -0.211 0.000 1.049 354 K CA 1.502 57.733 56.287 -0.094 0.000 0.931 354 K CB -0.598 31.887 32.500 -0.025 0.000 0.714 354 K HN 0.624 nan 8.250 nan 0.000 0.440 355 I N 1.217 121.603 120.570 -0.305 0.000 2.179 355 I HA -0.261 3.909 4.170 0.001 0.000 0.242 355 I C 2.192 177.854 176.117 -0.759 0.000 1.088 355 I CA 0.823 61.796 61.300 -0.544 0.000 1.357 355 I CB -0.297 37.329 38.000 -0.622 0.000 1.051 355 I HN 0.015 nan 8.210 nan 0.000 0.409 356 I N 0.550 120.779 120.570 -0.568 0.000 2.286 356 I HA -0.281 3.889 4.170 0.001 0.000 0.248 356 I C 2.543 178.572 176.117 -0.147 0.000 1.115 356 I CA 1.639 62.744 61.300 -0.326 0.000 1.392 356 I CB -1.360 36.501 38.000 -0.233 0.000 1.065 356 I HN 0.399 nan 8.210 nan 0.000 0.418 357 Q N 0.128 119.827 119.800 -0.169 0.000 2.084 357 Q HA -0.154 4.187 4.340 0.001 0.000 0.202 357 Q C 2.478 178.393 176.000 -0.142 0.000 0.978 357 Q CA 1.431 57.172 55.803 -0.103 0.000 0.844 357 Q CB -0.075 28.604 28.738 -0.098 0.000 0.898 357 Q HN 0.339 nan 8.270 nan 0.000 0.426 358 V N 0.258 119.996 119.914 -0.294 0.000 2.343 358 V HA -0.250 3.871 4.120 0.001 0.000 0.247 358 V C 1.853 177.820 176.094 -0.212 0.000 1.051 358 V CA 1.755 63.811 62.300 -0.407 0.000 1.036 358 V CB -0.586 30.748 31.823 -0.815 0.000 0.654 358 V HN 0.365 nan 8.190 nan 0.000 0.451 359 F N 0.171 120.006 119.950 -0.192 0.000 2.134 359 F HA -0.177 4.351 4.527 0.001 0.000 0.299 359 F C 2.690 178.566 175.800 0.126 0.000 1.097 359 F CA 1.112 59.062 58.000 -0.085 0.000 1.264 359 F CB -0.295 38.557 39.000 -0.246 0.000 1.001 359 F HN 0.104 nan 8.300 nan 0.000 0.479 360 S N -0.697 115.210 115.700 0.344 0.000 2.419 360 S HA -0.155 4.316 4.470 0.001 0.000 0.235 360 S C 1.775 176.427 174.600 0.088 0.000 1.019 360 S CA 1.403 59.745 58.200 0.237 0.000 0.982 360 S CB -0.215 63.069 63.200 0.140 0.000 0.789 360 S HN 0.197 nan 8.310 nan 0.000 0.490 361 S N 0.847 116.575 115.700 0.047 0.000 2.539 361 S HA 0.260 4.730 4.470 0.001 0.000 0.221 361 S C 0.630 175.229 174.600 -0.001 0.000 0.987 361 S CA -0.377 57.823 58.200 0.001 0.000 0.929 361 S CB 0.193 63.371 63.200 -0.036 0.000 0.832 361 S HN 0.435 nan 8.310 nan 0.000 0.492 362 N N 1.024 119.741 118.700 0.028 0.000 2.387 362 N HA 0.174 4.915 4.740 0.001 0.000 0.259 362 N C -0.764 174.796 175.510 0.083 0.000 1.369 362 N CA 0.148 53.213 53.050 0.025 0.000 0.867 362 N CB 1.647 40.105 38.487 -0.047 0.000 1.341 362 N HN 0.067 nan 8.380 nan 0.000 0.495 363 T N -0.563 114.054 114.554 0.106 0.000 2.853 363 T HA 0.286 4.636 4.350 0.001 0.000 0.311 363 T C 0.121 174.874 174.700 0.089 0.000 1.307 363 T CA -0.270 61.894 62.100 0.107 0.000 1.019 363 T CB 2.387 71.324 68.868 0.114 0.000 1.264 363 T HN -0.042 nan 8.240 nan 0.000 0.497 364 E N 0.150 120.390 120.200 0.067 0.000 2.413 364 E HA 0.534 4.884 4.350 0.001 0.000 0.203 364 E C 0.192 176.800 176.600 0.014 0.000 0.957 364 E CA -0.170 56.247 56.400 0.029 0.000 0.950 364 E CB 0.995 30.716 29.700 0.035 0.000 0.957 364 E HN 0.607 nan 8.360 nan 0.000 0.497 365 A N 0.761 123.611 122.820 0.049 0.000 2.599 365 A HA 0.649 4.969 4.320 0.001 0.000 0.290 365 A C -2.008 175.578 177.584 0.003 0.000 1.101 365 A CA -0.617 51.455 52.037 0.059 0.000 0.674 365 A CB 1.408 20.392 19.000 -0.027 0.000 1.277 365 A HN 0.077 nan 8.150 nan 0.000 0.419 366 L N 1.287 122.483 121.223 -0.045 0.000 2.436 366 L HA 0.634 4.975 4.340 0.001 0.000 0.268 366 L C -1.628 175.102 176.870 -0.232 0.000 0.974 366 L CA -0.615 54.028 54.840 -0.329 0.000 0.826 366 L CB 1.476 43.149 42.059 -0.644 0.000 1.291 366 L HN 0.739 nan 8.230 nan 0.000 0.406 367 I N 5.484 125.890 120.570 -0.273 0.000 2.336 367 I HA 0.373 4.544 4.170 0.001 0.000 0.292 367 I C -0.315 175.586 176.117 -0.360 0.000 0.991 367 I CA -0.406 60.780 61.300 -0.190 0.000 1.227 367 I CB 1.812 39.792 38.000 -0.033 0.000 1.366 367 I HN 0.439 nan 8.210 nan 0.000 0.466 368 I N 5.393 125.827 120.570 -0.226 0.000 2.354 368 I HA 0.169 4.340 4.170 0.001 0.000 0.286 368 I C -0.501 175.499 176.117 -0.195 0.000 1.007 368 I CA -0.513 60.646 61.300 -0.236 0.000 1.167 368 I CB 1.455 39.472 38.000 0.028 0.000 1.320 368 I HN 0.495 nan 8.210 nan 0.000 0.458 369 D N 6.551 126.724 120.400 -0.378 0.000 2.339 369 D HA 0.058 4.698 4.640 0.001 0.000 0.241 369 D C 0.158 176.397 176.300 -0.101 0.000 1.183 369 D CA 0.234 54.133 54.000 -0.169 0.000 0.859 369 D CB 1.121 41.842 40.800 -0.131 0.000 1.067 369 D HN 0.481 nan 8.370 nan 0.000 0.484 370 Q N 3.037 122.829 119.800 -0.013 0.000 2.155 370 Q HA 0.081 4.422 4.340 0.001 0.000 0.220 370 Q C -0.190 175.832 176.000 0.036 0.000 0.819 370 Q CA -0.299 55.497 55.803 -0.012 0.000 1.032 370 Q CB 0.400 29.159 28.738 0.035 0.000 1.151 370 Q HN 0.663 nan 8.270 nan 0.000 0.487 371 T N -0.938 113.642 114.554 0.042 0.000 2.802 371 T HA 0.094 4.445 4.350 0.001 0.000 0.305 371 T C 0.446 175.210 174.700 0.107 0.000 1.053 371 T CA -0.259 61.896 62.100 0.091 0.000 1.058 371 T CB 0.334 69.283 68.868 0.135 0.000 0.988 371 T HN 0.318 nan 8.240 nan 0.000 0.539 372 N N 1.318 120.119 118.700 0.168 0.000 2.667 372 N HA -0.178 4.562 4.740 0.001 0.000 0.263 372 N C -1.016 174.587 175.510 0.155 0.000 1.038 372 N CA 0.701 53.872 53.050 0.202 0.000 0.749 372 N CB -1.395 37.253 38.487 0.268 0.000 0.892 372 N HN 0.802 nan 8.380 nan 0.000 0.546 373 N N 0.245 119.039 118.700 0.158 0.000 2.399 373 N HA 0.321 5.062 4.740 0.001 0.000 0.284 373 N C -2.160 173.500 175.510 0.251 0.000 1.025 373 N CA -1.790 51.342 53.050 0.135 0.000 0.885 373 N CB 1.855 40.391 38.487 0.081 0.000 1.339 373 N HN -0.075 nan 8.380 nan 0.000 0.487 374 P HA 0.135 nan 4.420 nan 0.000 0.245 374 P C 0.681 178.109 177.300 0.213 0.000 1.212 374 P CA 0.760 63.976 63.100 0.193 0.000 0.774 374 P CB 0.305 32.036 31.700 0.052 0.000 0.999 375 G N -0.869 108.099 108.800 0.281 0.000 2.508 375 G HA2 0.181 4.142 3.960 0.001 0.000 0.220 375 G HA3 0.181 4.142 3.960 0.001 0.000 0.220 375 G C 0.037 175.133 174.900 0.326 0.000 1.287 375 G CA -0.119 45.175 45.100 0.323 0.000 0.916 375 G HN 0.642 nan 8.290 nan 0.000 0.574 376 G N -1.730 107.227 108.800 0.261 0.000 2.374 376 G HA2 0.511 4.472 3.960 0.001 0.000 0.067 376 G HA3 0.511 4.472 3.960 0.001 0.000 0.067 376 G C 0.179 175.202 174.900 0.205 0.000 1.023 376 G CA 1.058 46.292 45.100 0.224 0.000 1.131 376 G HN 2.296 nan 8.290 nan 0.000 0.436 377 S N 0.264 116.120 115.700 0.259 0.000 2.452 377 S HA 0.472 4.943 4.470 0.001 0.000 0.284 377 S C 1.593 176.285 174.600 0.154 0.000 1.171 377 S CA 0.223 58.553 58.200 0.216 0.000 1.064 377 S CB 1.278 64.657 63.200 0.298 0.000 0.967 377 S HN 1.044 nan 8.310 nan 0.000 0.484 378 V N 6.925 126.839 119.914 -0.000 0.000 2.343 378 V HA -0.175 3.946 4.120 0.001 0.000 0.247 378 V C 2.241 177.988 176.094 -0.579 0.000 1.051 378 V CA 1.858 63.996 62.300 -0.271 0.000 1.036 378 V CB -0.788 30.853 31.823 -0.302 0.000 0.654 378 V HN 0.847 nan 8.190 nan 0.000 0.451 379 L N -1.327 119.636 121.223 -0.433 0.000 2.083 379 L HA -0.195 4.145 4.340 0.001 0.000 0.209 379 L C 2.503 179.301 176.870 -0.120 0.000 1.083 379 L CA 1.861 56.427 54.840 -0.456 0.000 0.752 379 L CB -0.665 41.106 42.059 -0.480 0.000 0.899 379 L HN 0.412 nan 8.230 nan 0.000 0.433 380 Y N 0.331 120.574 120.300 -0.095 0.000 2.200 380 Y HA -0.229 4.322 4.550 0.001 0.000 0.290 380 Y C 2.367 178.329 175.900 0.103 0.000 1.137 380 Y CA 1.234 59.338 58.100 0.006 0.000 1.163 380 Y CB -0.151 38.449 38.460 0.233 0.000 0.988 380 Y HN 0.023 nan 8.280 nan 0.000 0.518 381 L N -0.465 120.801 121.223 0.073 0.000 2.042 381 L HA -0.275 4.065 4.340 0.001 0.000 0.210 381 L C 1.904 178.862 176.870 0.147 0.000 1.076 381 L CA 2.195 57.027 54.840 -0.014 0.000 0.749 381 L CB -1.358 40.612 42.059 -0.149 0.000 0.893 381 L HN 0.275 nan 8.230 nan 0.000 0.432 382 Y N 0.607 120.893 120.300 -0.024 0.000 2.224 382 Y HA -0.094 4.457 4.550 0.001 0.000 0.289 382 Y C 2.844 178.875 175.900 0.217 0.000 1.146 382 Y CA 0.756 58.881 58.100 0.043 0.000 1.182 382 Y CB -1.377 36.997 38.460 -0.142 0.000 0.983 382 Y HN 0.303 nan 8.280 nan 0.000 0.524 383 A N 0.184 123.168 122.820 0.273 0.000 1.877 383 A HA -0.130 4.190 4.320 0.001 0.000 0.216 383 A C 2.400 179.970 177.584 -0.024 0.000 1.186 383 A CA 1.409 53.523 52.037 0.129 0.000 0.620 383 A CB -1.048 17.884 19.000 -0.113 0.000 0.822 383 A HN 0.410 nan 8.150 nan 0.000 0.443 384 L N -0.771 120.313 121.223 -0.231 0.000 2.046 384 L HA -0.178 4.162 4.340 0.001 0.000 0.208 384 L C 2.584 179.493 176.870 0.064 0.000 1.077 384 L CA 1.119 55.733 54.840 -0.377 0.000 0.747 384 L CB -0.725 40.950 42.059 -0.641 0.000 0.896 384 L HN 0.361 nan 8.230 nan 0.000 0.432 385 L N -0.011 121.317 121.223 0.174 0.000 2.083 385 L HA -0.203 4.138 4.340 0.001 0.000 0.209 385 L C 2.900 179.857 176.870 0.144 0.000 1.083 385 L CA 1.551 56.501 54.840 0.182 0.000 0.752 385 L CB -0.568 41.565 42.059 0.124 0.000 0.899 385 L HN 0.399 nan 8.230 nan 0.000 0.433 386 S N -0.523 115.275 115.700 0.162 0.000 2.442 386 S HA -0.178 4.292 4.470 0.001 0.000 0.236 386 S C 1.742 176.428 174.600 0.144 0.000 1.007 386 S CA 1.077 59.356 58.200 0.132 0.000 0.965 386 S CB -0.313 62.927 63.200 0.066 0.000 0.773 386 S HN 0.443 nan 8.310 nan 0.000 0.504 387 M N 0.277 119.974 119.600 0.162 0.000 2.428 387 M HA 0.369 4.849 4.480 0.001 0.000 0.239 387 M C 0.446 176.872 176.300 0.209 0.000 1.121 387 M CA 0.311 55.707 55.300 0.160 0.000 1.019 387 M CB 0.134 32.830 32.600 0.160 0.000 1.485 387 M HN 0.257 nan 8.290 nan 0.000 0.484 388 L N -0.529 120.822 121.223 0.213 0.000 2.965 388 L HA 0.278 4.618 4.340 0.001 0.000 0.254 388 L C 0.400 177.360 176.870 0.149 0.000 1.220 388 L CA -0.121 54.854 54.840 0.226 0.000 1.023 388 L CB 0.373 42.574 42.059 0.237 0.000 1.355 388 L HN 0.033 nan 8.230 nan 0.000 0.545 389 T N -1.469 113.148 114.554 0.104 0.000 2.840 389 T HA 0.232 4.583 4.350 0.001 0.000 0.317 389 T C -0.893 173.827 174.700 0.032 0.000 1.401 389 T CA -0.462 61.665 62.100 0.046 0.000 1.028 389 T CB 1.718 70.594 68.868 0.012 0.000 1.317 389 T HN 0.255 nan 8.240 nan 0.000 0.495 390 D N 1.426 121.828 120.400 0.002 0.000 2.469 390 D HA 0.161 4.802 4.640 0.001 0.000 0.213 390 D C 0.525 176.819 176.300 -0.009 0.000 1.135 390 D CA -0.268 53.730 54.000 -0.003 0.000 0.834 390 D CB 0.252 41.039 40.800 -0.022 0.000 1.009 390 D HN 0.710 nan 8.370 nan 0.000 0.507 391 R N -0.176 120.315 120.500 -0.016 0.000 2.795 391 R HA 0.608 4.949 4.340 0.001 0.000 0.275 391 R C -3.101 173.173 176.300 -0.042 0.000 0.981 391 R CA -1.787 54.298 56.100 -0.025 0.000 0.917 391 R CB 1.246 31.526 30.300 -0.032 0.000 1.202 391 R HN -0.257 nan 8.270 nan 0.000 0.469 392 P HA 0.069 nan 4.420 nan 0.000 0.269 392 P C -0.754 176.463 177.300 -0.138 0.000 1.209 392 P CA -0.135 62.885 63.100 -0.134 0.000 0.776 392 P CB 0.834 32.442 31.700 -0.154 0.000 0.876 393 L N 2.076 123.191 121.223 -0.181 0.000 2.325 393 L HA 0.329 4.670 4.340 0.001 0.000 0.281 393 L C 0.838 177.587 176.870 -0.202 0.000 1.004 393 L CA -0.958 53.784 54.840 -0.164 0.000 0.823 393 L CB 1.491 43.461 42.059 -0.148 0.000 1.236 393 L HN 0.275 nan 8.230 nan 0.000 0.415 394 E N 3.426 123.522 120.200 -0.172 0.000 2.414 394 E HA 0.253 4.604 4.350 0.001 0.000 0.263 394 E C -0.703 175.776 176.600 -0.201 0.000 1.000 394 E CA 0.208 56.500 56.400 -0.179 0.000 0.914 394 E CB 1.214 30.821 29.700 -0.155 0.000 0.948 394 E HN 0.395 nan 8.360 nan 0.000 0.444 395 L N 5.266 126.360 121.223 -0.217 0.000 2.334 395 L HA 0.396 4.737 4.340 0.001 0.000 0.276 395 L C -1.965 174.794 176.870 -0.184 0.000 1.014 395 L CA -2.012 52.696 54.840 -0.220 0.000 0.815 395 L CB 1.790 43.682 42.059 -0.278 0.000 1.268 395 L HN 0.306 nan 8.230 nan 0.000 0.428 396 P HA 0.190 nan 4.420 nan 0.000 0.275 396 P C -1.218 175.998 177.300 -0.141 0.000 1.228 396 P CA -0.374 62.603 63.100 -0.204 0.000 0.786 396 P CB 1.077 32.620 31.700 -0.263 0.000 0.927 397 K N 0.988 121.312 120.400 -0.128 0.000 2.177 397 K HA 0.419 4.740 4.320 0.001 0.000 0.238 397 K C 0.189 176.776 176.600 -0.022 0.000 1.015 397 K CA -0.689 55.587 56.287 -0.019 0.000 0.922 397 K CB 0.878 33.354 32.500 -0.041 0.000 1.127 397 K HN 0.580 nan 8.250 nan 0.000 0.469 398 H N 1.093 120.127 119.070 -0.060 0.000 2.538 398 H HA 0.268 4.824 4.556 0.001 0.000 0.353 398 H C -0.503 174.838 175.328 0.023 0.000 1.109 398 H CA -0.943 55.098 56.048 -0.012 0.000 1.192 398 H CB 1.563 31.351 29.762 0.042 0.000 1.555 398 H HN 0.190 nan 8.280 nan 0.000 0.518 399 R N 3.363 123.927 120.500 0.107 0.000 2.221 399 R HA 0.315 4.655 4.340 0.001 0.000 0.327 399 R C -0.319 176.052 176.300 0.119 0.000 1.033 399 R CA -0.353 55.806 56.100 0.099 0.000 0.887 399 R CB 0.850 31.215 30.300 0.108 0.000 1.057 399 R HN 0.529 nan 8.270 nan 0.000 0.455 400 M N 2.869 122.540 119.600 0.118 0.000 2.578 400 M HA 0.500 4.980 4.480 0.001 0.000 0.321 400 M C 0.137 176.490 176.300 0.087 0.000 1.182 400 M CA -0.589 54.787 55.300 0.127 0.000 0.965 400 M CB 1.997 34.702 32.600 0.176 0.000 1.694 400 M HN 0.269 nan 8.290 nan 0.000 0.461 401 I N 3.307 123.916 120.570 0.066 0.000 2.353 401 I HA 0.399 4.569 4.170 0.001 0.000 0.293 401 I C -0.902 175.264 176.117 0.083 0.000 0.992 401 I CA -0.519 60.818 61.300 0.062 0.000 1.268 401 I CB 0.854 38.873 38.000 0.032 0.000 1.387 401 I HN 0.522 nan 8.210 nan 0.000 0.478 402 L N 5.902 127.205 121.223 0.134 0.000 2.346 402 L HA 0.632 4.972 4.340 0.001 0.000 0.274 402 L C 0.101 177.123 176.870 0.254 0.000 1.007 402 L CA -0.487 54.456 54.840 0.172 0.000 0.818 402 L CB 2.142 44.358 42.059 0.263 0.000 1.284 402 L HN 0.622 nan 8.230 nan 0.000 0.424 403 T N -3.001 111.594 114.554 0.068 0.000 2.865 403 T HA 0.228 4.579 4.350 0.001 0.000 0.294 403 T C 0.423 174.894 174.700 -0.381 0.000 1.119 403 T CA -0.834 61.279 62.100 0.023 0.000 1.007 403 T CB 1.656 70.528 68.868 0.008 0.000 1.225 403 T HN 0.561 nan 8.240 nan 0.000 0.515 404 Q N 0.515 120.067 119.800 -0.414 0.000 2.439 404 Q HA -0.128 4.213 4.340 0.001 0.000 0.211 404 Q C 1.105 176.903 176.000 -0.336 0.000 0.978 404 Q CA 1.364 56.828 55.803 -0.565 0.000 0.897 404 Q CB -0.628 27.933 28.738 -0.294 0.000 0.956 404 Q HN 0.806 nan 8.270 nan 0.000 0.483 405 D N 1.794 122.066 120.400 -0.213 0.000 2.097 405 D HA -0.160 4.481 4.640 0.001 0.000 0.197 405 D C 1.150 177.354 176.300 -0.161 0.000 0.984 405 D CA 1.232 55.143 54.000 -0.149 0.000 0.826 405 D CB 0.252 40.988 40.800 -0.106 0.000 0.973 405 D HN 0.219 nan 8.370 nan 0.000 0.460 406 E N -0.302 119.793 120.200 -0.175 0.000 2.150 406 E HA -0.060 4.291 4.350 0.001 0.000 0.193 406 E C 2.258 178.756 176.600 -0.171 0.000 0.985 406 E CA 0.281 56.605 56.400 -0.126 0.000 0.814 406 E CB -0.126 29.525 29.700 -0.081 0.000 0.752 406 E HN 0.164 nan 8.360 nan 0.000 0.466 407 V N 0.070 119.782 119.914 -0.337 0.000 2.358 407 V HA -0.215 3.905 4.120 0.001 0.000 0.246 407 V C 2.163 178.127 176.094 -0.216 0.000 1.047 407 V CA 1.284 63.357 62.300 -0.379 0.000 1.035 407 V CB -0.407 30.974 31.823 -0.737 0.000 0.658 407 V HN 0.146 nan 8.190 nan 0.000 0.452 408 V N 0.201 119.999 119.914 -0.195 0.000 2.407 408 V HA -0.252 3.869 4.120 0.001 0.000 0.248 408 V C 2.283 178.322 176.094 -0.092 0.000 1.055 408 V CA 2.102 64.325 62.300 -0.127 0.000 1.049 408 V CB -0.721 31.030 31.823 -0.119 0.000 0.662 408 V HN 0.538 nan 8.190 nan 0.000 0.455 409 D N 0.571 120.924 120.400 -0.077 0.000 2.104 409 D HA -0.149 4.491 4.640 0.001 0.000 0.194 409 D C 2.253 178.609 176.300 0.094 0.000 0.994 409 D CA 1.748 55.718 54.000 -0.051 0.000 0.830 409 D CB -0.419 40.402 40.800 0.035 0.000 0.959 409 D HN 0.432 nan 8.370 nan 0.000 0.452 410 A N 0.604 123.519 122.820 0.158 0.000 1.883 410 A HA -0.150 4.170 4.320 0.001 0.000 0.217 410 A C 2.423 180.113 177.584 0.176 0.000 1.186 410 A CA 1.087 53.263 52.037 0.232 0.000 0.624 410 A CB -0.874 18.140 19.000 0.023 0.000 0.822 410 A HN 0.223 nan 8.150 nan 0.000 0.444 411 L N -0.469 120.787 121.223 0.055 0.000 2.012 411 L HA -0.221 4.120 4.340 0.001 0.000 0.210 411 L C 2.195 179.092 176.870 0.045 0.000 1.073 411 L CA 1.586 56.448 54.840 0.037 0.000 0.748 411 L CB -0.746 41.305 42.059 -0.013 0.000 0.891 411 L HN 0.332 nan 8.230 nan 0.000 0.431 412 D N -0.736 119.655 120.400 -0.014 0.000 2.117 412 D HA -0.206 4.435 4.640 0.001 0.000 0.197 412 D C 1.963 178.253 176.300 -0.016 0.000 0.987 412 D CA 1.282 55.236 54.000 -0.077 0.000 0.829 412 D CB -0.312 40.361 40.800 -0.210 0.000 0.961 412 D HN 0.373 nan 8.370 nan 0.000 0.460 413 W N 1.113 122.451 121.300 0.064 0.000 2.338 413 W HA -0.106 4.556 4.660 0.002 0.000 0.304 413 W C 2.424 178.990 176.519 0.079 0.000 1.212 413 W CA 0.299 57.697 57.345 0.090 0.000 1.264 413 W CB -0.417 29.134 29.460 0.152 0.000 1.142 413 W HN -0.027 nan 8.180 nan 0.000 0.512 414 L N -0.236 121.171 121.223 0.307 0.000 2.056 414 L HA -0.211 4.130 4.340 0.001 0.000 0.207 414 L C 2.799 179.747 176.870 0.130 0.000 1.078 414 L CA 1.860 56.816 54.840 0.192 0.000 0.749 414 L CB -1.411 40.731 42.059 0.139 0.000 0.901 414 L HN 0.099 nan 8.230 nan 0.000 0.433 415 T N -2.020 112.592 114.554 0.096 0.000 2.821 415 T HA -0.216 4.135 4.350 0.001 0.000 0.267 415 T C 1.902 176.642 174.700 0.067 0.000 1.046 415 T CA 0.898 63.034 62.100 0.061 0.000 1.139 415 T CB -0.515 68.371 68.868 0.029 0.000 0.871 415 T HN 0.272 nan 8.240 nan 0.000 0.454 416 L N 0.057 121.330 121.223 0.083 0.000 2.042 416 L HA 0.119 4.459 4.340 0.001 0.000 0.210 416 L C 1.869 178.809 176.870 0.118 0.000 1.076 416 L CA 1.560 56.453 54.840 0.089 0.000 0.749 416 L CB -0.162 41.958 42.059 0.102 0.000 0.893 416 L HN 0.342 nan 8.230 nan 0.000 0.432 417 L N -1.133 120.182 121.223 0.153 0.000 2.700 417 L HA 0.069 4.409 4.340 0.001 0.000 0.234 417 L C 1.868 178.792 176.870 0.090 0.000 1.156 417 L CA -0.195 54.722 54.840 0.129 0.000 0.946 417 L CB -0.057 42.099 42.059 0.162 0.000 1.216 417 L HN 0.260 nan 8.230 nan 0.000 0.493 418 E N 1.969 122.217 120.200 0.080 0.000 2.086 418 E HA -0.279 4.072 4.350 0.001 0.000 0.205 418 E C 0.632 177.258 176.600 0.044 0.000 1.027 418 E CA 1.971 58.406 56.400 0.059 0.000 0.830 418 E CB 0.062 29.791 29.700 0.049 0.000 0.751 418 E HN 0.587 nan 8.360 nan 0.000 0.456 419 N N -0.472 118.251 118.700 0.039 0.000 2.453 419 N HA 0.138 4.879 4.740 0.001 0.000 0.270 419 N C -1.516 174.009 175.510 0.024 0.000 1.195 419 N CA -0.449 52.618 53.050 0.028 0.000 0.902 419 N CB 1.596 40.096 38.487 0.023 0.000 1.186 419 N HN -0.121 nan 8.380 nan 0.000 0.510 420 V N 1.280 121.212 119.914 0.029 0.000 2.364 420 V HA 0.168 4.289 4.120 0.001 0.000 0.272 420 V C -0.077 176.021 176.094 0.006 0.000 1.036 420 V CA -0.189 62.124 62.300 0.021 0.000 0.880 420 V CB 1.287 33.130 31.823 0.033 0.000 0.991 420 V HN 0.308 nan 8.190 nan 0.000 0.460 421 D N 2.155 122.552 120.400 -0.004 0.000 2.520 421 D HA 0.126 4.767 4.640 0.001 0.000 0.223 421 D C 0.789 177.073 176.300 -0.027 0.000 1.186 421 D CA 0.292 54.283 54.000 -0.015 0.000 0.821 421 D CB 1.412 42.205 40.800 -0.011 0.000 1.072 421 D HN 0.671 nan 8.370 nan 0.000 0.518 422 T N -2.530 112.009 114.554 -0.025 0.000 2.865 422 T HA 0.291 4.642 4.350 0.001 0.000 0.294 422 T C 0.856 175.533 174.700 -0.038 0.000 1.119 422 T CA -0.627 61.453 62.100 -0.034 0.000 1.007 422 T CB 2.201 71.053 68.868 -0.026 0.000 1.225 422 T HN -0.391 nan 8.240 nan 0.000 0.515 423 N N 0.333 119.004 118.700 -0.049 0.000 2.084 423 N HA -0.094 4.647 4.740 0.001 0.000 0.190 423 N C 2.071 177.560 175.510 -0.035 0.000 1.030 423 N CA 1.268 54.286 53.050 -0.054 0.000 0.849 423 N CB -0.804 37.644 38.487 -0.065 0.000 1.012 423 N HN 0.483 nan 8.380 nan 0.000 0.423 424 V N 1.525 121.423 119.914 -0.026 0.000 2.392 424 V HA -0.211 3.910 4.120 0.001 0.000 0.249 424 V C 2.237 178.328 176.094 -0.005 0.000 1.059 424 V CA 1.586 63.877 62.300 -0.015 0.000 1.051 424 V CB -0.550 31.266 31.823 -0.012 0.000 0.658 424 V HN 0.286 nan 8.190 nan 0.000 0.455 425 E N 0.132 120.329 120.200 -0.005 0.000 2.077 425 E HA -0.167 4.184 4.350 0.001 0.000 0.193 425 E C 2.420 179.028 176.600 0.015 0.000 0.989 425 E CA 1.563 57.967 56.400 0.006 0.000 0.800 425 E CB -0.155 29.547 29.700 0.004 0.000 0.746 425 E HN 0.586 nan 8.360 nan 0.000 0.452 426 S N 0.201 115.904 115.700 0.005 0.000 2.356 426 S HA -0.155 4.315 4.470 0.001 0.000 0.223 426 S C 1.835 176.450 174.600 0.026 0.000 1.032 426 S CA 1.057 59.266 58.200 0.015 0.000 1.005 426 S CB -0.202 62.991 63.200 -0.012 0.000 0.867 426 S HN 0.217 nan 8.310 nan 0.000 0.449 427 R N 0.338 120.844 120.500 0.010 0.000 2.120 427 R HA -0.035 4.306 4.340 0.001 0.000 0.234 427 R C 2.288 178.606 176.300 0.030 0.000 1.123 427 R CA 0.996 57.106 56.100 0.016 0.000 0.975 427 R CB -0.450 29.851 30.300 0.002 0.000 0.866 427 R HN 0.278 nan 8.270 nan 0.000 0.446 428 L N 0.345 121.585 121.223 0.028 0.000 2.056 428 L HA -0.017 4.323 4.340 0.001 0.000 0.207 428 L C 2.104 179.001 176.870 0.045 0.000 1.078 428 L CA 1.915 56.775 54.840 0.032 0.000 0.749 428 L CB -0.576 41.498 42.059 0.025 0.000 0.901 428 L HN 0.077 nan 8.230 nan 0.000 0.433 429 A N -1.038 121.813 122.820 0.053 0.000 1.930 429 A HA 0.011 4.331 4.320 0.001 0.000 0.215 429 A C 2.104 179.745 177.584 0.095 0.000 1.176 429 A CA 1.701 53.781 52.037 0.072 0.000 0.632 429 A CB -0.460 18.590 19.000 0.084 0.000 0.819 429 A HN 0.486 nan 8.150 nan 0.000 0.445 430 L N -2.113 119.170 121.223 0.099 0.000 2.609 430 L HA 0.421 4.762 4.340 0.001 0.000 0.230 430 L C 1.062 177.987 176.870 0.092 0.000 1.087 430 L CA 0.397 55.310 54.840 0.122 0.000 0.874 430 L CB 0.093 42.237 42.059 0.141 0.000 1.114 430 L HN 0.575 nan 8.230 nan 0.000 0.488 431 G N 0.057 108.898 108.800 0.069 0.000 2.555 431 G HA2 -0.189 3.771 3.960 0.001 0.000 0.686 431 G HA3 -0.189 3.771 3.960 0.001 0.000 0.686 431 G C -0.480 174.446 174.900 0.044 0.000 1.275 431 G CA -0.354 44.783 45.100 0.061 0.000 0.871 431 G HN -0.024 nan 8.290 nan 0.000 0.603 432 D N 0.488 120.913 120.400 0.041 0.000 2.218 432 D HA -0.008 4.633 4.640 0.001 0.000 0.204 432 D C 1.319 177.618 176.300 -0.002 0.000 0.976 432 D CA 1.962 55.974 54.000 0.020 0.000 0.853 432 D CB -0.026 40.794 40.800 0.033 0.000 0.939 432 D HN 0.779 nan 8.370 nan 0.000 0.481 433 N N -1.026 117.676 118.700 0.004 0.000 2.710 433 N HA 0.195 4.935 4.740 0.001 0.000 0.257 433 N C -1.350 174.119 175.510 -0.068 0.000 1.327 433 N CA -0.580 52.440 53.050 -0.050 0.000 0.861 433 N CB 1.380 39.797 38.487 -0.117 0.000 1.532 433 N HN -0.229 nan 8.380 nan 0.000 0.499 434 M N 1.265 120.817 119.600 -0.081 0.000 2.103 434 M HA 0.222 4.703 4.480 0.001 0.000 0.350 434 M C -0.336 175.784 176.300 -0.300 0.000 1.100 434 M CA 0.011 55.240 55.300 -0.117 0.000 1.042 434 M CB 0.387 32.949 32.600 -0.064 0.000 1.368 434 M HN 0.679 nan 8.290 nan 0.000 0.404 435 E N 1.626 121.528 120.200 -0.496 0.000 2.360 435 E HA -0.272 4.079 4.350 0.001 0.000 0.238 435 E C 0.912 176.564 176.600 -1.580 0.000 1.186 435 E CA 0.585 56.388 56.400 -0.995 0.000 0.719 435 E CB -1.379 28.139 29.700 -0.304 0.000 1.236 435 E HN 1.237 nan 8.360 nan 0.000 0.386 436 G N -0.482 107.230 108.800 -1.813 0.000 2.279 436 G HA2 -0.378 3.583 3.960 0.001 0.000 0.223 436 G HA3 -0.378 3.583 3.960 0.001 0.000 0.223 436 G C -0.079 174.537 174.900 -0.473 0.000 1.015 436 G CA 0.029 44.217 45.100 -1.520 0.000 0.621 436 G HN 0.367 nan 8.290 nan 0.000 0.506 437 Y N 3.696 123.772 120.300 -0.374 0.000 2.496 437 Y HA 0.488 5.039 4.550 0.001 0.000 0.334 437 Y C 1.008 176.840 175.900 -0.113 0.000 1.080 437 Y CA 0.651 58.675 58.100 -0.127 0.000 1.355 437 Y CB 0.627 39.095 38.460 0.013 0.000 1.193 437 Y HN 0.147 nan 8.280 nan 0.000 0.523 438 T N 6.052 120.323 114.554 -0.473 0.000 2.871 438 T HA 0.105 4.455 4.350 0.001 0.000 0.296 438 T C -0.164 174.423 174.700 -0.189 0.000 0.998 438 T CA -0.236 61.656 62.100 -0.347 0.000 1.162 438 T CB 0.021 68.599 68.868 -0.484 0.000 0.947 438 T HN 0.395 nan 8.240 nan 0.000 0.536 439 V N 4.638 124.502 119.914 -0.083 0.000 2.530 439 V HA 0.328 4.449 4.120 0.001 0.000 0.282 439 V C 0.311 176.355 176.094 -0.083 0.000 1.048 439 V CA -0.148 62.137 62.300 -0.025 0.000 0.997 439 V CB 1.486 33.316 31.823 0.011 0.000 0.987 439 V HN 0.854 nan 8.190 nan 0.000 0.477 440 D N 1.608 121.950 120.400 -0.096 0.000 2.636 440 D HA 0.385 5.026 4.640 0.001 0.000 0.275 440 D C 0.632 176.850 176.300 -0.136 0.000 1.130 440 D CA -0.698 53.217 54.000 -0.143 0.000 1.031 440 D CB 2.125 42.792 40.800 -0.221 0.000 1.451 440 D HN 0.297 nan 8.370 nan 0.000 0.505 441 L N 0.714 121.846 121.223 -0.152 0.000 2.156 441 L HA -0.141 4.200 4.340 0.001 0.000 0.208 441 L C 1.950 178.692 176.870 -0.215 0.000 1.095 441 L CA 1.328 56.085 54.840 -0.139 0.000 0.770 441 L CB 0.011 41.994 42.059 -0.127 0.000 0.914 441 L HN 0.404 nan 8.230 nan 0.000 0.439 442 Q N -0.143 119.467 119.800 -0.317 0.000 2.096 442 Q HA -0.185 4.155 4.340 0.001 0.000 0.204 442 Q C 1.919 177.561 176.000 -0.597 0.000 0.982 442 Q CA 2.244 57.726 55.803 -0.535 0.000 0.850 442 Q CB -0.521 27.814 28.738 -0.671 0.000 0.901 442 Q HN 0.355 nan 8.270 nan 0.000 0.422 443 V N 0.624 120.322 119.914 -0.361 0.000 2.307 443 V HA -0.235 3.886 4.120 0.001 0.000 0.245 443 V C 2.304 178.362 176.094 -0.060 0.000 1.045 443 V CA 1.726 63.892 62.300 -0.223 0.000 1.024 443 V CB -1.294 30.469 31.823 -0.101 0.000 0.651 443 V HN 0.524 nan 8.190 nan 0.000 0.449 444 A N -0.417 122.366 122.820 -0.062 0.000 1.902 444 A HA -0.210 4.110 4.320 0.001 0.000 0.217 444 A C 2.176 179.759 177.584 -0.003 0.000 1.181 444 A CA 1.699 53.736 52.037 0.001 0.000 0.623 444 A CB -0.436 18.564 19.000 -0.000 0.000 0.818 444 A HN 0.512 nan 8.150 nan 0.000 0.443 445 E N -0.746 119.404 120.200 -0.083 0.000 2.110 445 E HA -0.170 4.181 4.350 0.001 0.000 0.193 445 E C 1.775 178.395 176.600 0.032 0.000 0.988 445 E CA 1.101 57.461 56.400 -0.068 0.000 0.804 445 E CB -0.475 29.125 29.700 -0.167 0.000 0.745 445 E HN 0.874 nan 8.360 nan 0.000 0.458 446 Y N 0.690 120.983 120.300 -0.013 0.000 2.163 446 Y HA -0.147 4.403 4.550 -0.000 0.000 0.288 446 Y C 2.500 178.448 175.900 0.080 0.000 1.136 446 Y CA 0.378 58.509 58.100 0.052 0.000 1.147 446 Y CB -0.102 38.397 38.460 0.065 0.000 0.987 446 Y HN -0.024 nan 8.280 nan 0.000 0.509 447 L N -0.058 121.274 121.223 0.182 0.000 2.083 447 L HA -0.257 4.084 4.340 0.001 0.000 0.209 447 L C 2.189 179.085 176.870 0.043 0.000 1.083 447 L CA 1.497 56.285 54.840 -0.088 0.000 0.752 447 L CB -0.424 41.457 42.059 -0.296 0.000 0.899 447 L HN 0.163 nan 8.230 nan 0.000 0.433 448 K N -0.737 119.728 120.400 0.109 0.000 2.097 448 K HA -0.130 4.190 4.320 0.001 0.000 0.205 448 K C 2.419 179.096 176.600 0.129 0.000 1.050 448 K CA 1.350 57.717 56.287 0.133 0.000 0.938 448 K CB -0.187 32.374 32.500 0.101 0.000 0.718 448 K HN 0.088 nan 8.250 nan 0.000 0.442 449 S N 0.341 116.125 115.700 0.140 0.000 2.382 449 S HA -0.171 4.300 4.470 0.001 0.000 0.228 449 S C 1.770 176.441 174.600 0.119 0.000 1.027 449 S CA 0.970 59.247 58.200 0.128 0.000 0.991 449 S CB -0.325 62.977 63.200 0.170 0.000 0.823 449 S HN 0.356 nan 8.310 nan 0.000 0.469 450 F N 2.205 122.154 119.950 -0.001 0.000 2.095 450 F HA 0.046 4.574 4.527 0.002 0.000 0.298 450 F C 2.267 178.058 175.800 -0.015 0.000 1.104 450 F CA 1.753 59.721 58.000 -0.052 0.000 1.232 450 F CB -1.094 37.802 39.000 -0.173 0.000 0.987 450 F HN 0.267 nan 8.300 nan 0.000 0.475 451 G N 0.291 109.152 108.800 0.100 0.000 2.446 451 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 451 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 451 G C 1.800 176.669 174.900 -0.051 0.000 1.168 451 G CA 0.937 46.068 45.100 0.052 0.000 0.771 451 G HN 0.361 nan 8.290 nan 0.000 0.551 452 R N 0.008 120.505 120.500 -0.005 0.000 2.091 452 R HA -0.072 4.268 4.340 0.001 0.000 0.238 452 R C 2.843 179.114 176.300 -0.048 0.000 1.136 452 R CA 1.582 57.678 56.100 -0.008 0.000 0.959 452 R CB -0.357 29.955 30.300 0.019 0.000 0.856 452 R HN 0.463 nan 8.270 nan 0.000 0.437 453 Q N 0.051 119.794 119.800 -0.095 0.000 2.119 453 Q HA -0.100 4.241 4.340 0.001 0.000 0.201 453 Q C 2.229 178.142 176.000 -0.145 0.000 0.972 453 Q CA 1.324 57.063 55.803 -0.107 0.000 0.847 453 Q CB 0.040 28.710 28.738 -0.114 0.000 0.903 453 Q HN 0.172 nan 8.270 nan 0.000 0.433 454 V N 1.142 120.889 119.914 -0.278 0.000 2.307 454 V HA -0.248 3.873 4.120 0.001 0.000 0.245 454 V C 2.181 178.241 176.094 -0.057 0.000 1.045 454 V CA 1.501 63.657 62.300 -0.240 0.000 1.024 454 V CB -0.486 31.081 31.823 -0.426 0.000 0.651 454 V HN 0.342 nan 8.190 nan 0.000 0.449 455 L N 0.223 121.419 121.223 -0.046 0.000 2.083 455 L HA -0.200 4.140 4.340 0.001 0.000 0.209 455 L C 2.404 179.335 176.870 0.101 0.000 1.083 455 L CA 1.941 56.808 54.840 0.046 0.000 0.752 455 L CB -0.705 41.370 42.059 0.026 0.000 0.899 455 L HN 0.422 nan 8.230 nan 0.000 0.433 456 N N -0.527 118.200 118.700 0.044 0.000 2.142 456 N HA -0.159 4.582 4.740 0.001 0.000 0.186 456 N C 1.902 177.445 175.510 0.054 0.000 1.023 456 N CA 1.477 54.553 53.050 0.043 0.000 0.852 456 N CB -0.173 38.322 38.487 0.014 0.000 0.998 456 N HN 0.236 nan 8.380 nan 0.000 0.424 457 C N -0.414 118.919 119.300 0.054 0.000 2.429 457 C HA -0.069 4.391 4.460 0.001 0.000 0.277 457 C C 2.395 177.452 174.990 0.112 0.000 1.262 457 C CA 0.284 59.339 59.018 0.062 0.000 1.733 457 C CB -1.548 26.224 27.740 0.054 0.000 2.010 457 C HN 0.637 nan 8.230 nan 0.000 0.483 458 W N 2.086 123.365 121.300 -0.035 0.000 2.335 458 W HA -0.195 4.466 4.660 0.001 0.000 0.311 458 W C 2.554 179.066 176.519 -0.013 0.000 1.213 458 W CA 2.186 59.518 57.345 -0.022 0.000 1.274 458 W CB -0.551 28.894 29.460 -0.024 0.000 1.148 458 W HN 0.473 nan 8.180 nan 0.000 0.498 459 S N 0.292 116.052 115.700 0.101 0.000 2.474 459 S HA -0.130 4.341 4.470 0.001 0.000 0.235 459 S C 1.465 176.019 174.600 -0.077 0.000 0.997 459 S CA 1.105 59.297 58.200 -0.013 0.000 0.949 459 S CB -0.388 62.851 63.200 0.065 0.000 0.766 459 S HN 0.312 nan 8.310 nan 0.000 0.517 460 K N 0.349 120.713 120.400 -0.060 0.000 2.367 460 K HA 0.291 4.611 4.320 0.001 0.000 0.194 460 K C 1.282 177.822 176.600 -0.099 0.000 1.027 460 K CA 0.377 56.627 56.287 -0.061 0.000 1.075 460 K CB 0.048 32.533 32.500 -0.025 0.000 0.845 460 K HN 0.516 nan 8.250 nan 0.000 0.529 461 G N 2.523 111.219 108.800 -0.172 0.000 2.179 461 G HA2 -0.269 3.691 3.960 0.001 0.000 0.260 461 G HA3 -0.269 3.691 3.960 0.001 0.000 0.260 461 G C -0.038 174.794 174.900 -0.114 0.000 0.977 461 G CA 0.395 45.374 45.100 -0.200 0.000 0.641 461 G HN 0.411 nan 8.290 nan 0.000 0.533 462 D N 0.851 121.215 120.400 -0.059 0.000 2.688 462 D HA 0.340 4.980 4.640 0.001 0.000 0.228 462 D C 1.844 178.157 176.300 0.022 0.000 1.116 462 D CA 0.185 54.179 54.000 -0.010 0.000 1.023 462 D CB -0.841 39.962 40.800 0.005 0.000 1.100 462 D HN 0.673 nan 8.370 nan 0.000 0.487 463 I N -2.378 118.198 120.570 0.010 0.000 4.181 463 I HA 0.263 4.433 4.170 0.001 0.000 0.331 463 I C 1.115 177.276 176.117 0.074 0.000 1.312 463 I CA -0.309 61.035 61.300 0.074 0.000 1.146 463 I CB 0.448 38.495 38.000 0.077 0.000 1.074 463 I HN -0.131 nan 8.210 nan 0.000 0.402 464 E N 1.783 122.010 120.200 0.045 0.000 2.076 464 E HA 0.111 4.461 4.350 0.001 0.000 0.190 464 E C 0.300 176.932 176.600 0.054 0.000 0.979 464 E CA 0.875 57.305 56.400 0.050 0.000 0.807 464 E CB 0.530 30.254 29.700 0.041 0.000 0.761 464 E HN 0.355 nan 8.360 nan 0.000 0.454 465 L N 0.989 122.245 121.223 0.055 0.000 2.487 465 L HA 0.116 4.457 4.340 0.001 0.000 0.261 465 L C -0.389 176.519 176.870 0.064 0.000 1.223 465 L CA -0.326 54.551 54.840 0.061 0.000 0.883 465 L CB 0.796 42.896 42.059 0.069 0.000 1.065 465 L HN -0.071 nan 8.230 nan 0.000 0.488 466 S N 0.983 116.721 115.700 0.063 0.000 2.563 466 S HA 0.189 4.659 4.470 0.001 0.000 0.269 466 S C 0.598 175.226 174.600 0.047 0.000 1.364 466 S CA 0.496 58.727 58.200 0.052 0.000 1.010 466 S CB 0.470 63.700 63.200 0.051 0.000 0.877 466 S HN 0.755 nan 8.310 nan 0.000 0.549 467 T N 2.452 117.025 114.554 0.031 0.000 2.903 467 T HA 0.265 4.616 4.350 0.001 0.000 0.314 467 T C -2.446 172.265 174.700 0.018 0.000 1.078 467 T CA -1.558 60.555 62.100 0.021 0.000 1.114 467 T CB -0.214 68.660 68.868 0.010 0.000 0.987 467 T HN 0.655 nan 8.240 nan 0.000 0.548 468 P HA 0.242 nan 4.420 nan 0.000 0.267 468 P C -0.886 176.419 177.300 0.009 0.000 1.209 468 P CA 0.302 63.402 63.100 -0.000 0.000 0.763 468 P CB 0.120 31.793 31.700 -0.045 0.000 0.816 469 I N 5.637 126.231 120.570 0.040 0.000 2.499 469 I HA 0.304 4.475 4.170 0.001 0.000 0.288 469 I C -2.260 173.911 176.117 0.089 0.000 1.048 469 I CA -3.026 58.301 61.300 0.045 0.000 1.062 469 I CB 2.867 40.874 38.000 0.012 0.000 1.238 469 I HN 0.109 nan 8.210 nan 0.000 0.426 470 P HA 0.176 nan 4.420 nan 0.000 0.275 470 P C -0.523 176.782 177.300 0.009 0.000 1.227 470 P CA -0.243 62.875 63.100 0.030 0.000 0.781 470 P CB 0.852 32.528 31.700 -0.040 0.000 0.906 471 L N 3.730 124.866 121.223 -0.144 0.000 2.514 471 L HA 0.020 4.360 4.340 0.001 0.000 0.280 471 L C 1.131 177.698 176.870 -0.506 0.000 1.223 471 L CA 0.126 54.702 54.840 -0.440 0.000 0.864 471 L CB -0.924 40.809 42.059 -0.543 0.000 1.118 471 L HN 0.476 nan 8.230 nan 0.000 0.494 472 F N 1.270 120.621 119.950 -0.998 0.000 3.030 472 F HA -0.316 4.212 4.527 0.001 0.000 0.302 472 F C 1.631 177.091 175.800 -0.567 0.000 0.749 472 F CA 0.910 58.212 58.000 -1.163 0.000 1.040 472 F CB -1.930 36.260 39.000 -1.351 0.000 1.383 472 F HN 0.859 nan 8.300 nan 0.000 0.368 473 G N -1.546 107.203 108.800 -0.085 0.000 2.184 473 G HA2 -0.358 3.602 3.960 0.001 0.000 0.264 473 G HA3 -0.358 3.602 3.960 0.001 0.000 0.264 473 G C 0.164 175.040 174.900 -0.039 0.000 0.975 473 G CA -0.027 45.162 45.100 0.148 0.000 0.642 473 G HN 0.327 nan 8.290 nan 0.000 0.536 474 F N 2.363 122.046 119.950 -0.445 0.000 2.502 474 F HA 0.278 4.805 4.527 -0.000 0.000 0.361 474 F C 1.670 177.010 175.800 -0.767 0.000 1.157 474 F CA -0.531 56.942 58.000 -0.879 0.000 1.096 474 F CB 0.279 39.003 39.000 -0.460 0.000 1.141 474 F HN 0.227 nan 8.300 nan 0.000 0.579 475 E N 2.629 122.314 120.200 -0.858 0.000 2.152 475 E HA -0.110 4.240 4.350 0.001 0.000 0.192 475 E C 0.434 176.860 176.600 -0.290 0.000 0.983 475 E CA 0.888 57.068 56.400 -0.367 0.000 0.818 475 E CB 0.265 29.865 29.700 -0.166 0.000 0.758 475 E HN 0.617 nan 8.360 nan 0.000 0.467 476 K N -0.309 119.886 120.400 -0.341 0.000 2.556 476 K HA 0.436 4.757 4.320 0.001 0.000 0.274 476 K C -1.030 175.310 176.600 -0.434 0.000 0.966 476 K CA -0.746 55.331 56.287 -0.350 0.000 0.865 476 K CB 1.225 33.536 32.500 -0.315 0.000 1.444 476 K HN -0.202 nan 8.250 nan 0.000 0.433 477 I N 2.639 122.975 120.570 -0.390 0.000 2.395 477 I HA 0.148 4.318 4.170 0.001 0.000 0.289 477 I C -0.015 175.930 176.117 -0.287 0.000 1.023 477 I CA -0.417 60.751 61.300 -0.219 0.000 1.350 477 I CB 0.549 38.459 38.000 -0.151 0.000 1.409 477 I HN 0.420 nan 8.210 nan 0.000 0.507 478 H N 7.105 126.248 119.070 0.122 0.000 2.458 478 H HA 0.329 4.886 4.556 0.000 0.000 0.330 478 H C -2.198 173.109 175.328 -0.033 0.000 1.111 478 H CA -1.937 54.122 56.048 0.017 0.000 1.245 478 H CB 1.242 30.995 29.762 -0.013 0.000 1.456 478 H HN 0.316 nan 8.280 nan 0.000 0.488 479 P HA -0.081 nan 4.420 nan 0.000 0.265 479 P C 0.321 177.627 177.300 0.010 0.000 1.193 479 P CA 0.229 63.352 63.100 0.038 0.000 0.765 479 P CB 0.644 32.364 31.700 0.034 0.000 0.823 480 H N 6.232 125.261 119.070 -0.068 0.000 3.038 480 H HA -0.023 4.534 4.556 0.001 0.000 0.338 480 H C -1.146 174.143 175.328 -0.065 0.000 1.041 480 H CA -0.636 55.353 56.048 -0.098 0.000 1.394 480 H CB 0.653 30.389 29.762 -0.043 0.000 1.357 480 H HN 0.306 nan 8.280 nan 0.000 0.600 481 P HA -0.085 nan 4.420 nan 0.000 0.219 481 P C 0.809 178.130 177.300 0.035 0.000 1.150 481 P CA 1.306 64.325 63.100 -0.135 0.000 0.814 481 P CB 0.481 32.046 31.700 -0.225 0.000 0.787 482 R N -0.234 120.413 120.500 0.245 0.000 2.121 482 R HA 0.192 4.532 4.340 0.001 0.000 0.206 482 R C 0.903 177.318 176.300 0.192 0.000 1.094 482 R CA 0.393 56.632 56.100 0.232 0.000 1.055 482 R CB -0.149 30.295 30.300 0.240 0.000 0.964 482 R HN 0.081 nan 8.270 nan 0.000 0.473 483 V N 1.026 121.066 119.914 0.209 0.000 2.409 483 V HA 0.406 4.526 4.120 0.001 0.000 0.291 483 V C -1.488 174.638 176.094 0.053 0.000 1.020 483 V CA -0.567 61.742 62.300 0.015 0.000 0.848 483 V CB 1.596 33.341 31.823 -0.129 0.000 0.990 483 V HN 0.160 nan 8.190 nan 0.000 0.430 484 Q N 5.406 125.253 119.800 0.077 0.000 2.414 484 Q HA 0.348 4.689 4.340 0.001 0.000 0.256 484 Q C -1.652 174.415 176.000 0.110 0.000 0.974 484 Q CA -0.470 55.389 55.803 0.094 0.000 0.723 484 Q CB 2.443 31.218 28.738 0.062 0.000 1.281 484 Q HN 0.907 nan 8.270 nan 0.000 0.470 485 Y N 1.963 122.277 120.300 0.023 0.000 2.402 485 Y HA 0.087 4.638 4.550 0.001 0.000 0.333 485 Y C 0.768 176.671 175.900 0.005 0.000 1.076 485 Y CA 0.512 58.621 58.100 0.016 0.000 1.299 485 Y CB 0.816 39.294 38.460 0.031 0.000 1.197 485 Y HN 0.651 nan 8.280 nan 0.000 0.517 486 S N 3.253 118.705 115.700 -0.414 0.000 2.650 486 S HA 0.368 4.839 4.470 0.001 0.000 0.240 486 S C -0.024 174.347 174.600 -0.382 0.000 1.007 486 S CA -0.642 57.387 58.200 -0.285 0.000 0.984 486 S CB -0.001 63.095 63.200 -0.174 0.000 0.910 486 S HN 0.551 nan 8.310 nan 0.000 0.509 487 K N 2.181 122.130 120.400 -0.752 0.000 2.148 487 K HA 0.484 4.805 4.320 0.001 0.000 0.239 487 K C -2.751 173.737 176.600 -0.188 0.000 1.018 487 K CA -2.467 53.535 56.287 -0.475 0.000 0.923 487 K CB 0.049 32.219 32.500 -0.550 0.000 1.117 487 K HN 0.085 nan 8.250 nan 0.000 0.477 488 P HA 0.059 nan 4.420 nan 0.000 0.267 488 P C -0.697 176.654 177.300 0.084 0.000 1.200 488 P CA 0.577 63.669 63.100 -0.012 0.000 0.772 488 P CB 0.433 32.103 31.700 -0.050 0.000 0.855 489 I N 1.591 122.193 120.570 0.054 0.000 2.582 489 I HA 0.307 4.477 4.170 0.001 0.000 0.292 489 I C -0.277 175.845 176.117 0.009 0.000 1.066 489 I CA -0.811 60.521 61.300 0.054 0.000 1.053 489 I CB 2.312 40.362 38.000 0.084 0.000 1.241 489 I HN 0.339 nan 8.210 nan 0.000 0.421 490 C N 7.231 126.529 119.300 -0.003 0.000 2.322 490 C HA 0.707 5.168 4.460 0.001 0.000 0.324 490 C C -0.329 174.679 174.990 0.030 0.000 1.249 490 C CA -0.271 58.750 59.018 0.004 0.000 1.453 490 C CB 0.368 28.100 27.740 -0.014 0.000 2.145 490 C HN 0.546 nan 8.230 nan 0.000 0.466 491 V N 7.805 127.763 119.914 0.074 0.000 2.427 491 V HA 0.423 4.544 4.120 0.001 0.000 0.286 491 V C 0.056 176.224 176.094 0.124 0.000 1.034 491 V CA -0.339 62.039 62.300 0.131 0.000 0.893 491 V CB 1.456 33.406 31.823 0.212 0.000 0.982 491 V HN 0.760 nan 8.190 nan 0.000 0.452 492 L N 6.690 127.988 121.223 0.125 0.000 2.275 492 L HA 0.700 5.040 4.340 0.001 0.000 0.288 492 L C -0.216 176.742 176.870 0.147 0.000 1.046 492 L CA -0.299 54.636 54.840 0.159 0.000 0.805 492 L CB 1.125 43.315 42.059 0.218 0.000 1.193 492 L HN 0.662 nan 8.230 nan 0.000 0.426 493 I N 0.901 121.551 120.570 0.133 0.000 3.074 493 I HA 0.675 4.846 4.170 0.001 0.000 0.310 493 I C -1.065 175.088 176.117 0.061 0.000 1.153 493 I CA -0.636 60.721 61.300 0.095 0.000 0.993 493 I CB 2.456 40.500 38.000 0.074 0.000 1.237 493 I HN 0.809 nan 8.210 nan 0.000 0.443 494 N N 0.804 119.522 118.700 0.030 0.000 3.243 494 N HA 0.217 4.958 4.740 0.001 0.000 0.280 494 N C -0.049 175.415 175.510 -0.076 0.000 1.545 494 N CA -0.626 52.427 53.050 0.004 0.000 0.854 494 N CB 0.989 39.539 38.487 0.105 0.000 1.612 494 N HN 0.741 nan 8.380 nan 0.000 0.577 495 E N -0.165 119.987 120.200 -0.080 0.000 2.516 495 E HA -0.162 4.188 4.350 0.001 0.000 0.199 495 E C -0.007 176.386 176.600 -0.346 0.000 1.069 495 E CA 1.137 57.431 56.400 -0.177 0.000 0.876 495 E CB -0.223 29.427 29.700 -0.083 0.000 0.843 495 E HN 0.658 nan 8.360 nan 0.000 0.530 496 Q N 1.036 120.695 119.800 -0.236 0.000 2.268 496 Q HA 0.162 4.503 4.340 0.001 0.000 0.289 496 Q C -0.880 174.923 176.000 -0.328 0.000 0.893 496 Q CA -0.221 55.433 55.803 -0.249 0.000 1.057 496 Q CB 0.612 29.437 28.738 0.146 0.000 1.173 496 Q HN 0.100 nan 8.270 nan 0.000 0.449 497 D N 0.429 120.457 120.400 -0.620 0.000 2.344 497 D HA 0.355 4.995 4.640 0.001 0.000 0.239 497 D C -0.741 175.161 176.300 -0.665 0.000 1.064 497 D CA -0.075 53.715 54.000 -0.351 0.000 0.829 497 D CB 0.849 41.557 40.800 -0.153 0.000 1.129 497 D HN -0.020 nan 8.370 nan 0.000 0.506 498 F N 0.391 120.266 119.950 -0.124 0.000 2.593 498 F HA 0.282 4.809 4.527 0.001 0.000 0.320 498 F C 1.702 177.365 175.800 -0.228 0.000 1.060 498 F CA -0.727 57.145 58.000 -0.214 0.000 0.940 498 F CB 1.267 40.129 39.000 -0.230 0.000 1.268 498 F HN 0.394 nan 8.300 nan 0.000 0.475 499 S N -0.321 115.266 115.700 -0.189 0.000 4.155 499 S HA -0.433 4.038 4.470 0.001 0.000 0.538 499 S C 1.583 175.648 174.600 -0.892 0.000 1.768 499 S CA 1.279 59.191 58.200 -0.480 0.000 4.139 499 S CB -1.995 61.214 63.200 0.015 0.000 0.908 499 S HN 0.814 nan 8.310 nan 0.000 0.461 500 C N 3.420 122.468 119.300 -0.420 0.000 2.410 500 C HA 0.228 4.689 4.460 0.001 0.000 0.281 500 C C 3.276 178.102 174.990 -0.272 0.000 1.318 500 C CA 1.063 59.880 59.018 -0.336 0.000 1.776 500 C CB -2.281 25.303 27.740 -0.260 0.000 1.942 500 C HN 0.945 nan 8.230 nan 0.000 0.508 501 A N -0.389 122.424 122.820 -0.011 0.000 2.167 501 A HA -0.083 4.237 4.320 0.001 0.000 0.214 501 A C 1.807 179.414 177.584 0.038 0.000 1.151 501 A CA 1.307 53.450 52.037 0.176 0.000 0.735 501 A CB -0.318 18.819 19.000 0.229 0.000 0.802 501 A HN 0.565 nan 8.150 nan 0.000 0.467 502 D N -0.657 119.657 120.400 -0.144 0.000 2.197 502 D HA 0.006 4.646 4.640 0.001 0.000 0.212 502 D C 1.648 178.001 176.300 0.090 0.000 0.963 502 D CA 0.891 54.825 54.000 -0.111 0.000 0.864 502 D CB -0.277 40.377 40.800 -0.244 0.000 1.009 502 D HN 0.579 nan 8.370 nan 0.000 0.479 503 F N 0.399 120.379 119.950 0.050 0.000 2.134 503 F HA -0.166 4.362 4.527 0.002 0.000 0.299 503 F C 2.357 178.190 175.800 0.056 0.000 1.097 503 F CA 0.101 58.127 58.000 0.043 0.000 1.264 503 F CB -0.363 38.675 39.000 0.062 0.000 1.001 503 F HN -0.099 nan 8.300 nan 0.000 0.479 504 F N 2.817 122.818 119.950 0.086 0.000 2.043 504 F HA -0.174 4.353 4.527 0.002 0.000 0.297 504 F C -0.435 175.410 175.800 0.074 0.000 1.121 504 F CA 1.647 59.676 58.000 0.048 0.000 1.199 504 F CB -1.852 37.186 39.000 0.063 0.000 0.968 504 F HN -0.212 nan 8.300 nan 0.000 0.478 505 P HA -0.121 nan 4.420 nan 0.000 0.219 505 P C 2.116 179.393 177.300 -0.038 0.000 1.150 505 P CA 1.428 64.534 63.100 0.010 0.000 0.814 505 P CB -0.208 31.558 31.700 0.111 0.000 0.787 506 V N 0.260 120.183 119.914 0.015 0.000 2.407 506 V HA -0.173 3.947 4.120 0.001 0.000 0.248 506 V C 2.626 178.683 176.094 -0.062 0.000 1.055 506 V CA 1.578 63.870 62.300 -0.013 0.000 1.049 506 V CB -0.805 31.042 31.823 0.040 0.000 0.662 506 V HN -0.098 nan 8.190 nan 0.000 0.455 507 V N -0.105 119.765 119.914 -0.073 0.000 2.307 507 V HA -0.237 3.884 4.120 0.001 0.000 0.245 507 V C 2.308 178.316 176.094 -0.145 0.000 1.045 507 V CA 2.237 64.465 62.300 -0.120 0.000 1.024 507 V CB -0.507 31.241 31.823 -0.125 0.000 0.651 507 V HN 0.479 nan 8.190 nan 0.000 0.449 508 L N -0.347 120.759 121.223 -0.195 0.000 2.141 508 L HA -0.166 4.175 4.340 0.001 0.000 0.209 508 L C 2.526 179.356 176.870 -0.067 0.000 1.094 508 L CA 1.654 56.390 54.840 -0.173 0.000 0.763 508 L CB -0.531 41.360 42.059 -0.281 0.000 0.908 508 L HN 0.318 nan 8.230 nan 0.000 0.437 509 K N 0.258 120.628 120.400 -0.050 0.000 2.007 509 K HA -0.147 4.174 4.320 0.001 0.000 0.206 509 K C 1.529 178.125 176.600 -0.007 0.000 1.047 509 K CA 1.472 57.761 56.287 0.003 0.000 0.937 509 K CB 0.103 32.541 32.500 -0.104 0.000 0.718 509 K HN 0.124 nan 8.250 nan 0.000 0.438 510 D N 0.579 120.946 120.400 -0.056 0.000 2.350 510 D HA -0.091 4.549 4.640 0.001 0.000 0.216 510 D C 0.850 177.110 176.300 -0.067 0.000 0.968 510 D CA 0.741 54.700 54.000 -0.068 0.000 0.894 510 D CB -0.020 40.702 40.800 -0.131 0.000 0.909 510 D HN 0.232 nan 8.370 nan 0.000 0.520 511 N N 0.702 119.364 118.700 -0.063 0.000 2.203 511 N HA -0.040 4.701 4.740 0.001 0.000 0.207 511 N C -0.575 174.915 175.510 -0.032 0.000 1.130 511 N CA 0.066 53.078 53.050 -0.062 0.000 0.861 511 N CB 0.817 39.251 38.487 -0.088 0.000 1.005 511 N HN 0.006 nan 8.380 nan 0.000 0.507 512 D N 0.413 120.813 120.400 0.000 0.000 2.708 512 D HA -0.204 4.436 4.640 0.001 0.000 0.236 512 D C 1.080 177.372 176.300 -0.014 0.000 1.146 512 D CA 0.431 54.442 54.000 0.018 0.000 0.662 512 D CB -0.358 40.447 40.800 0.009 0.000 1.059 512 D HN 0.300 nan 8.370 nan 0.000 0.428 513 R N -0.413 120.073 120.500 -0.023 0.000 2.156 513 R HA 0.327 4.668 4.340 0.001 0.000 0.207 513 R C 0.744 177.025 176.300 -0.030 0.000 1.040 513 R CA 1.202 57.280 56.100 -0.037 0.000 1.013 513 R CB 0.600 30.866 30.300 -0.055 0.000 0.931 513 R HN 0.289 nan 8.270 nan 0.000 0.465 514 A N 0.331 123.140 122.820 -0.018 0.000 2.566 514 A HA 0.439 4.759 4.320 0.001 0.000 0.292 514 A C -1.368 176.218 177.584 0.003 0.000 1.112 514 A CA -0.649 51.380 52.037 -0.013 0.000 0.707 514 A CB 1.332 20.323 19.000 -0.014 0.000 1.302 514 A HN 0.131 nan 8.150 nan 0.000 0.409 515 L N 1.850 123.051 121.223 -0.037 0.000 2.281 515 L HA 0.438 4.779 4.340 0.001 0.000 0.285 515 L C -1.370 175.576 176.870 0.127 0.000 1.074 515 L CA -0.423 54.373 54.840 -0.074 0.000 0.817 515 L CB 0.530 42.520 42.059 -0.115 0.000 1.168 515 L HN 0.603 nan 8.230 nan 0.000 0.434 516 I N 5.663 126.468 120.570 0.390 0.000 2.336 516 I HA 0.362 4.533 4.170 0.001 0.000 0.292 516 I C 0.017 176.227 176.117 0.155 0.000 0.991 516 I CA -0.204 61.224 61.300 0.213 0.000 1.227 516 I CB 1.703 39.776 38.000 0.122 0.000 1.366 516 I HN 0.168 nan 8.210 nan 0.000 0.466 517 V N 5.246 125.220 119.914 0.099 0.000 2.735 517 V HA 1.009 5.129 4.120 0.001 0.000 0.310 517 V C 0.433 176.577 176.094 0.084 0.000 1.061 517 V CA -0.033 62.308 62.300 0.068 0.000 0.913 517 V CB 1.192 33.027 31.823 0.020 0.000 1.005 517 V HN 1.029 nan 8.190 nan 0.000 0.428 518 G N 3.186 112.027 108.800 0.069 0.000 2.253 518 G HA2 0.205 4.166 3.960 0.001 0.000 0.190 518 G HA3 0.205 4.166 3.960 0.001 0.000 0.190 518 G C -0.249 174.647 174.900 -0.007 0.000 1.274 518 G CA 0.125 45.265 45.100 0.067 0.000 1.275 518 G HN 1.350 nan 8.290 nan 0.000 0.518 519 T N -1.682 112.850 114.554 -0.038 0.000 2.907 519 T HA 0.709 5.059 4.350 0.001 0.000 0.292 519 T C 0.186 174.864 174.700 -0.037 0.000 1.043 519 T CA 0.006 62.079 62.100 -0.044 0.000 1.003 519 T CB 2.333 71.158 68.868 -0.070 0.000 1.084 519 T HN 0.917 nan 8.240 nan 0.000 0.483 520 R N 1.681 122.160 120.500 -0.035 0.000 2.538 520 R HA 0.085 4.425 4.340 0.001 0.000 0.273 520 R C 0.619 176.871 176.300 -0.079 0.000 0.967 520 R CA 0.397 56.472 56.100 -0.043 0.000 1.101 520 R CB -0.028 30.256 30.300 -0.027 0.000 0.908 520 R HN 0.937 nan 8.270 nan 0.000 0.411 521 T N 1.456 115.952 114.554 -0.097 0.000 2.813 521 T HA 0.249 4.600 4.350 0.001 0.000 0.297 521 T C 1.487 176.041 174.700 -0.245 0.000 1.036 521 T CA -0.314 61.676 62.100 -0.183 0.000 1.044 521 T CB 1.382 70.158 68.868 -0.153 0.000 0.993 521 T HN 0.663 nan 8.240 nan 0.000 0.535 522 A N 0.980 123.511 122.820 -0.481 0.000 1.883 522 A HA 0.366 4.687 4.320 0.001 0.000 0.217 522 A C 1.871 179.365 177.584 -0.150 0.000 1.186 522 A CA 1.263 52.968 52.037 -0.553 0.000 0.624 522 A CB -1.512 16.633 19.000 -1.424 0.000 0.822 522 A HN 2.447 nan 8.150 nan 0.000 0.444 523 G N -2.285 106.429 108.800 -0.144 0.000 2.526 523 G HA2 0.281 4.242 3.960 0.001 0.000 0.225 523 G HA3 0.281 4.242 3.960 0.001 0.000 0.225 523 G C 0.028 174.966 174.900 0.064 0.000 1.120 523 G CA 0.086 45.178 45.100 -0.014 0.000 0.904 523 G HN 1.579 nan 8.290 nan 0.000 0.498 524 A N 0.597 123.409 122.820 -0.014 0.000 3.000 524 A HA 0.723 5.044 4.320 0.001 0.000 0.315 524 A C 1.235 178.793 177.584 -0.043 0.000 1.434 524 A CA 0.562 52.546 52.037 -0.089 0.000 1.108 524 A CB 0.200 18.941 19.000 -0.432 0.000 1.171 524 A HN 1.773 nan 8.150 nan 0.000 0.524 525 G N 0.898 109.713 108.800 0.026 0.000 3.581 525 G HA2 0.487 4.448 3.960 0.001 0.000 0.255 525 G HA3 0.487 4.448 3.960 0.001 0.000 0.255 525 G C 0.372 175.394 174.900 0.203 0.000 1.121 525 G CA 0.424 45.608 45.100 0.140 0.000 1.739 525 G HN 1.166 nan 8.290 nan 0.000 0.646 526 G N -0.191 108.836 108.800 0.378 0.000 2.547 526 G HA2 0.506 4.467 3.960 0.001 0.000 0.291 526 G HA3 0.506 4.467 3.960 0.001 0.000 0.291 526 G C -0.767 174.369 174.900 0.394 0.000 1.471 526 G CA -1.022 44.283 45.100 0.342 0.000 0.798 526 G HN 0.499 nan 8.290 nan 0.000 0.504 527 F N 0.779 120.888 119.950 0.265 0.000 2.389 527 F HA 0.723 5.250 4.527 0.000 0.000 0.337 527 F C 0.469 176.237 175.800 -0.053 0.000 1.112 527 F CA -1.274 56.782 58.000 0.094 0.000 1.192 527 F CB 0.872 39.897 39.000 0.041 0.000 1.185 527 F HN 0.434 nan 8.300 nan 0.000 0.552 528 V N 1.972 121.850 119.914 -0.060 0.000 2.997 528 V HA 0.746 4.867 4.120 0.001 0.000 0.311 528 V C -0.570 175.667 176.094 0.238 0.000 1.066 528 V CA -1.024 61.156 62.300 -0.199 0.000 1.039 528 V CB 1.091 32.664 31.823 -0.417 0.000 1.081 528 V HN 1.056 nan 8.190 nan 0.000 0.467 529 F N -0.287 119.671 119.950 0.014 0.000 2.641 529 F HA 0.695 5.222 4.527 0.001 0.000 0.308 529 F C -1.088 174.735 175.800 0.038 0.000 1.105 529 F CA -1.091 56.960 58.000 0.086 0.000 0.964 529 F CB 1.396 40.499 39.000 0.173 0.000 1.294 529 F HN 0.462 nan 8.300 nan 0.000 0.442 530 N N 1.703 120.506 118.700 0.171 0.000 2.417 530 N HA 0.685 5.426 4.740 0.001 0.000 0.300 530 N C -1.516 174.109 175.510 0.191 0.000 1.102 530 N CA -0.615 52.470 53.050 0.059 0.000 0.886 530 N CB 2.782 41.288 38.487 0.030 0.000 1.203 530 N HN 0.509 nan 8.380 nan 0.000 0.496 531 V N 1.696 121.699 119.914 0.150 0.000 2.604 531 V HA 0.396 4.517 4.120 0.001 0.000 0.305 531 V C -0.590 175.664 176.094 0.267 0.000 1.043 531 V CA -0.685 61.773 62.300 0.264 0.000 0.888 531 V CB 1.852 33.864 31.823 0.314 0.000 0.995 531 V HN 0.599 nan 8.190 nan 0.000 0.429 532 Q N 4.026 124.008 119.800 0.303 0.000 2.423 532 Q HA 0.905 5.245 4.340 0.001 0.000 0.278 532 Q C -1.161 175.075 176.000 0.392 0.000 1.097 532 Q CA -0.544 55.397 55.803 0.228 0.000 0.809 532 Q CB 2.983 31.792 28.738 0.119 0.000 1.391 532 Q HN 0.754 nan 8.270 nan 0.000 0.428 533 F N -1.939 118.080 119.950 0.114 0.000 2.704 533 F HA 0.595 5.123 4.527 0.001 0.000 0.312 533 F C -3.040 172.794 175.800 0.056 0.000 1.108 533 F CA -2.157 55.879 58.000 0.059 0.000 1.005 533 F CB 0.570 39.568 39.000 -0.003 0.000 1.277 533 F HN 0.289 nan 8.300 nan 0.000 0.445 534 P HA 0.328 nan 4.420 nan 0.000 0.271 534 P C -1.468 175.838 177.300 0.009 0.000 1.216 534 P CA 0.070 63.164 63.100 -0.010 0.000 0.771 534 P CB 1.267 32.980 31.700 0.022 0.000 0.864 535 N N 0.425 119.102 118.700 -0.039 0.000 2.961 535 N HA 0.286 5.027 4.740 0.001 0.000 0.245 535 N C 0.123 175.652 175.510 0.032 0.000 1.404 535 N CA -1.009 52.059 53.050 0.030 0.000 0.880 535 N CB 1.024 39.521 38.487 0.017 0.000 1.461 535 N HN -0.023 nan 8.380 nan 0.000 0.510 536 R N -0.453 120.084 120.500 0.061 0.000 2.359 536 R HA 0.214 4.554 4.340 0.001 0.000 0.231 536 R C 0.050 176.397 176.300 0.078 0.000 0.913 536 R CA 0.222 56.354 56.100 0.053 0.000 1.075 536 R CB -0.105 30.221 30.300 0.044 0.000 1.087 536 R HN 0.730 nan 8.270 nan 0.000 0.515 537 T N -0.615 114.006 114.554 0.111 0.000 3.086 537 T HA 0.122 4.472 4.350 0.001 0.000 0.250 537 T C 1.121 175.936 174.700 0.190 0.000 1.074 537 T CA 0.724 62.908 62.100 0.141 0.000 0.988 537 T CB 0.550 69.526 68.868 0.182 0.000 0.988 537 T HN 0.477 nan 8.240 nan 0.000 0.530 538 G N 2.179 111.099 108.800 0.201 0.000 2.147 538 G HA2 -0.241 3.719 3.960 0.001 0.000 0.244 538 G HA3 -0.241 3.719 3.960 0.001 0.000 0.244 538 G C 0.107 175.235 174.900 0.380 0.000 1.005 538 G CA -0.329 44.966 45.100 0.326 0.000 0.713 538 G HN 0.594 nan 8.290 nan 0.000 0.515 539 I N 0.167 120.855 120.570 0.197 0.000 2.471 539 I HA 0.180 4.350 4.170 0.001 0.000 0.286 539 I C 1.429 177.342 176.117 -0.340 0.000 1.079 539 I CA 0.323 61.563 61.300 -0.102 0.000 1.398 539 I CB 1.337 39.243 38.000 -0.156 0.000 1.403 539 I HN 0.188 nan 8.210 nan 0.000 0.530 540 K N 3.810 123.804 120.400 -0.677 0.000 2.190 540 K HA 0.155 4.475 4.320 0.001 0.000 0.202 540 K C -0.003 176.305 176.600 -0.488 0.000 1.045 540 K CA 0.934 56.625 56.287 -0.993 0.000 0.976 540 K CB 0.547 32.253 32.500 -1.324 0.000 0.849 540 K HN 0.712 nan 8.250 nan 0.000 0.468 541 T N -0.763 113.544 114.554 -0.411 0.000 2.932 541 T HA 0.246 4.597 4.350 0.001 0.000 0.318 541 T C -1.920 172.656 174.700 -0.206 0.000 1.265 541 T CA -0.727 61.239 62.100 -0.222 0.000 1.036 541 T CB 1.716 70.473 68.868 -0.184 0.000 1.209 541 T HN 0.205 nan 8.240 nan 0.000 0.484 542 C N 3.769 123.020 119.300 -0.080 0.000 2.344 542 C HA 0.773 5.234 4.460 0.001 0.000 0.326 542 C C 0.282 175.191 174.990 -0.134 0.000 1.201 542 C CA -0.477 58.486 59.018 -0.092 0.000 1.410 542 C CB -0.881 26.871 27.740 0.020 0.000 2.070 542 C HN 0.984 nan 8.230 nan 0.000 0.445 543 S N 6.553 122.144 115.700 -0.182 0.000 2.554 543 S HA 0.843 5.313 4.470 0.001 0.000 0.278 543 S C -0.658 173.735 174.600 -0.345 0.000 1.242 543 S CA -0.521 57.524 58.200 -0.259 0.000 1.051 543 S CB 0.966 64.062 63.200 -0.174 0.000 0.986 543 S HN 0.807 nan 8.310 nan 0.000 0.502 544 L N 1.115 121.941 121.223 -0.662 0.000 2.277 544 L HA 0.611 4.951 4.340 0.001 0.000 0.254 544 L C -0.408 176.106 176.870 -0.592 0.000 1.044 544 L CA -0.959 53.532 54.840 -0.581 0.000 0.842 544 L CB 2.445 44.107 42.059 -0.662 0.000 1.422 544 L HN 0.633 nan 8.230 nan 0.000 0.422 545 T N -0.143 114.306 114.554 -0.175 0.000 2.770 545 T HA 0.328 4.678 4.350 0.001 0.000 0.283 545 T C 0.620 175.203 174.700 -0.195 0.000 0.988 545 T CA -0.341 61.621 62.100 -0.230 0.000 0.957 545 T CB 1.503 70.243 68.868 -0.213 0.000 0.930 545 T HN 0.831 nan 8.240 nan 0.000 0.443 546 G N 1.746 110.272 108.800 -0.455 0.000 3.189 546 G HA2 0.399 4.359 3.960 0.001 0.000 0.225 546 G HA3 0.399 4.359 3.960 0.001 0.000 0.225 546 G C 0.360 174.924 174.900 -0.560 0.000 1.159 546 G CA -0.076 44.679 45.100 -0.575 0.000 0.763 546 G HN 0.834 nan 8.290 nan 0.000 0.549 547 S N -1.136 114.300 115.700 -0.440 0.000 2.611 547 S HA 0.668 5.138 4.470 0.001 0.000 0.268 547 S C -1.585 172.992 174.600 -0.039 0.000 1.156 547 S CA -0.852 57.307 58.200 -0.068 0.000 0.817 547 S CB 1.599 64.969 63.200 0.282 0.000 1.122 547 S HN 0.028 nan 8.310 nan 0.000 0.466 548 L N 1.616 122.844 121.223 0.007 0.000 2.372 548 L HA 0.727 5.068 4.340 0.001 0.000 0.273 548 L C 0.309 177.098 176.870 -0.134 0.000 0.989 548 L CA -0.829 53.986 54.840 -0.041 0.000 0.841 548 L CB 1.584 43.660 42.059 0.029 0.000 1.225 548 L HN 1.060 nan 8.230 nan 0.000 0.414 549 A N 3.993 126.608 122.820 -0.342 0.000 2.407 549 A HA 0.628 4.948 4.320 0.001 0.000 0.248 549 A C -0.364 176.990 177.584 -0.383 0.000 1.082 549 A CA -0.195 51.431 52.037 -0.684 0.000 0.785 549 A CB 0.728 19.283 19.000 -0.742 0.000 1.020 549 A HN 0.423 nan 8.150 nan 0.000 0.489 550 V N 3.579 123.239 119.914 -0.423 0.000 2.531 550 V HA 0.347 4.468 4.120 0.001 0.000 0.301 550 V C 0.270 176.160 176.094 -0.339 0.000 1.034 550 V CA -0.703 61.324 62.300 -0.456 0.000 0.865 550 V CB 1.526 33.061 31.823 -0.480 0.000 0.995 550 V HN 1.025 nan 8.190 nan 0.000 0.424 551 R N 2.115 122.437 120.500 -0.296 0.000 2.679 551 R HA 0.244 4.584 4.340 0.001 0.000 0.269 551 R C 1.233 177.387 176.300 -0.244 0.000 1.076 551 R CA -0.391 55.570 56.100 -0.232 0.000 1.160 551 R CB 0.903 31.101 30.300 -0.170 0.000 1.054 551 R HN 0.739 nan 8.270 nan 0.000 0.507 552 E N 0.840 120.870 120.200 -0.282 0.000 2.136 552 E HA -0.286 4.065 4.350 0.001 0.000 0.202 552 E C 1.039 177.459 176.600 -0.301 0.000 1.019 552 E CA 1.821 58.020 56.400 -0.336 0.000 0.819 552 E CB -0.128 29.281 29.700 -0.485 0.000 0.739 552 E HN 0.556 nan 8.360 nan 0.000 0.458 553 H N -1.760 117.247 119.070 -0.106 0.000 2.533 553 H HA 0.159 4.715 4.556 -0.001 0.000 0.271 553 H C 1.232 176.494 175.328 -0.110 0.000 1.000 553 H CA 0.015 56.009 56.048 -0.091 0.000 1.149 553 H CB 0.755 30.476 29.762 -0.068 0.000 1.375 553 H HN 0.368 nan 8.280 nan 0.000 0.582 554 G N 0.137 108.883 108.800 -0.090 0.000 2.232 554 G HA2 -0.273 3.688 3.960 0.001 0.000 0.226 554 G HA3 -0.273 3.688 3.960 0.001 0.000 0.226 554 G C 0.563 175.294 174.900 -0.281 0.000 0.996 554 G CA -0.147 44.846 45.100 -0.179 0.000 0.626 554 G HN 0.594 nan 8.290 nan 0.000 0.509 555 A N 0.258 122.975 122.820 -0.172 0.000 2.407 555 A HA 0.715 5.035 4.320 0.001 0.000 0.248 555 A C 0.176 177.589 177.584 -0.284 0.000 1.082 555 A CA 0.004 51.964 52.037 -0.130 0.000 0.785 555 A CB 0.199 19.188 19.000 -0.018 0.000 1.020 555 A HN 0.572 nan 8.150 nan 0.000 0.489 556 F N 0.678 120.512 119.950 -0.192 0.000 2.362 556 F HA 0.336 4.864 4.527 0.001 0.000 0.311 556 F C 1.437 177.024 175.800 -0.355 0.000 1.161 556 F CA -0.427 57.348 58.000 -0.376 0.000 1.085 556 F CB 0.574 39.123 39.000 -0.751 0.000 1.311 556 F HN 0.335 nan 8.300 nan 0.000 0.524 557 I N -0.846 119.633 120.570 -0.152 0.000 3.616 557 I HA 0.032 4.203 4.170 0.001 0.000 0.296 557 I C 0.502 176.497 176.117 -0.203 0.000 1.226 557 I CA 0.413 61.645 61.300 -0.112 0.000 1.394 557 I CB -0.944 37.078 38.000 0.037 0.000 1.171 557 I HN 0.495 nan 8.210 nan 0.000 0.442 558 E N 3.094 123.065 120.200 -0.381 0.000 2.652 558 E HA -0.144 4.206 4.350 0.001 0.000 0.255 558 E C 0.873 177.266 176.600 -0.345 0.000 0.952 558 E CA 0.652 56.793 56.400 -0.433 0.000 0.947 558 E CB -0.000 29.216 29.700 -0.805 0.000 0.912 558 E HN 0.217 nan 8.360 nan 0.000 0.489 559 N N 2.871 121.512 118.700 -0.098 0.000 1.861 559 N HA -0.290 4.450 4.740 0.001 0.000 0.216 559 N C 1.086 176.591 175.510 -0.008 0.000 0.784 559 N CA 2.062 55.087 53.050 -0.040 0.000 4.053 559 N CB -1.208 37.078 38.487 -0.335 0.000 0.716 559 N HN 0.457 nan 8.380 nan 0.000 0.274 560 I N 1.948 122.483 120.570 -0.058 0.000 2.493 560 I HA -0.034 4.136 4.170 0.001 0.000 0.254 560 I C 2.021 178.141 176.117 0.006 0.000 1.160 560 I CA 1.754 63.066 61.300 0.020 0.000 1.445 560 I CB -1.883 36.151 38.000 0.055 0.000 1.086 560 I HN 0.523 nan 8.210 nan 0.000 0.433 561 G N 0.825 109.608 108.800 -0.028 0.000 2.641 561 G HA2 -0.222 3.739 3.960 0.001 0.000 0.254 561 G HA3 -0.222 3.739 3.960 0.001 0.000 0.254 561 G C -0.289 174.594 174.900 -0.029 0.000 1.315 561 G CA -0.166 44.911 45.100 -0.040 0.000 0.907 561 G HN 0.159 nan 8.290 nan 0.000 0.572 562 V N 1.863 121.756 119.914 -0.035 0.000 2.448 562 V HA 0.538 4.659 4.120 0.001 0.000 0.295 562 V C 0.348 176.418 176.094 -0.039 0.000 1.025 562 V CA -0.246 62.036 62.300 -0.030 0.000 0.859 562 V CB 1.584 33.398 31.823 -0.015 0.000 0.988 562 V HN 1.023 nan 8.190 nan 0.000 0.431 563 E N 7.322 127.495 120.200 -0.046 0.000 2.343 563 E HA 0.440 4.791 4.350 0.001 0.000 0.269 563 E C -2.738 173.812 176.600 -0.084 0.000 1.047 563 E CA -1.982 54.387 56.400 -0.051 0.000 0.874 563 E CB 1.518 31.191 29.700 -0.044 0.000 1.033 563 E HN 0.391 nan 8.360 nan 0.000 0.409 564 P HA 0.207 nan 4.420 nan 0.000 0.280 564 P C 0.387 177.642 177.300 -0.075 0.000 1.272 564 P CA -0.494 62.575 63.100 -0.053 0.000 0.819 564 P CB 1.061 32.766 31.700 0.008 0.000 1.122 565 H N -0.204 118.866 119.070 -0.001 0.000 2.363 565 H HA 0.096 4.652 4.556 0.001 0.000 0.301 565 H C 0.524 175.849 175.328 -0.005 0.000 1.074 565 H CA 1.236 57.282 56.048 -0.004 0.000 1.354 565 H CB 0.260 30.016 29.762 -0.009 0.000 1.397 565 H HN 0.196 nan 8.280 nan 0.000 0.516 566 I N 2.188 122.835 120.570 0.129 0.000 2.382 566 I HA 0.050 4.221 4.170 0.001 0.000 0.286 566 I C 0.247 176.385 176.117 0.036 0.000 1.002 566 I CA -0.804 60.533 61.300 0.062 0.000 1.135 566 I CB 1.529 39.552 38.000 0.038 0.000 1.288 566 I HN 0.066 nan 8.210 nan 0.000 0.448 567 D N 7.878 128.293 120.400 0.025 0.000 2.339 567 D HA 0.155 4.796 4.640 0.001 0.000 0.256 567 D C -0.845 175.465 176.300 0.016 0.000 1.214 567 D CA 0.066 54.074 54.000 0.014 0.000 0.877 567 D CB 1.195 42.000 40.800 0.009 0.000 1.111 567 D HN 0.420 nan 8.370 nan 0.000 0.478 568 L N 7.256 128.491 121.223 0.019 0.000 2.481 568 L HA 0.316 4.657 4.340 0.001 0.000 0.255 568 L C -2.383 174.501 176.870 0.023 0.000 1.192 568 L CA -1.474 53.395 54.840 0.048 0.000 0.924 568 L CB 2.031 44.119 42.059 0.049 0.000 1.179 568 L HN 0.282 nan 8.230 nan 0.000 0.491 569 P HA 0.180 nan 4.420 nan 0.000 0.276 569 P C -0.712 176.551 177.300 -0.061 0.000 1.261 569 P CA -0.227 62.798 63.100 -0.124 0.000 0.800 569 P CB 0.771 32.450 31.700 -0.036 0.000 1.066 570 F N 0.086 120.101 119.950 0.108 0.000 2.427 570 F HA 0.190 4.717 4.527 0.001 0.000 0.352 570 F C 1.807 177.630 175.800 0.040 0.000 1.100 570 F CA -0.271 57.788 58.000 0.099 0.000 1.191 570 F CB 0.760 39.815 39.000 0.093 0.000 1.128 570 F HN 0.251 nan 8.300 nan 0.000 0.533 571 T N -0.173 114.509 114.554 0.213 0.000 2.824 571 T HA 0.478 4.829 4.350 0.001 0.000 0.277 571 T C 1.135 175.805 174.700 -0.050 0.000 0.975 571 T CA -0.363 61.778 62.100 0.068 0.000 0.966 571 T CB 1.552 70.446 68.868 0.045 0.000 1.054 571 T HN 0.632 nan 8.240 nan 0.000 0.533 572 A N 1.018 123.769 122.820 -0.114 0.000 1.933 572 A HA -0.084 4.237 4.320 0.001 0.000 0.218 572 A C 2.281 179.608 177.584 -0.427 0.000 1.175 572 A CA 1.264 53.100 52.037 -0.336 0.000 0.628 572 A CB -1.084 17.767 19.000 -0.247 0.000 0.814 572 A HN 0.818 nan 8.150 nan 0.000 0.444 573 N N 0.593 119.135 118.700 -0.262 0.000 2.223 573 N HA -0.120 4.621 4.740 0.001 0.000 0.185 573 N C 1.080 176.430 175.510 -0.267 0.000 1.016 573 N CA 1.388 54.284 53.050 -0.257 0.000 0.863 573 N CB -0.373 38.033 38.487 -0.135 0.000 0.983 573 N HN 0.454 nan 8.380 nan 0.000 0.429 574 D N 0.689 120.959 120.400 -0.217 0.000 2.097 574 D HA -0.020 4.621 4.640 0.001 0.000 0.197 574 D C 2.095 177.959 176.300 -0.727 0.000 0.984 574 D CA 0.653 54.467 54.000 -0.310 0.000 0.826 574 D CB 0.011 40.786 40.800 -0.041 0.000 0.973 574 D HN 0.290 nan 8.370 nan 0.000 0.460 575 I N 0.388 120.605 120.570 -0.588 0.000 2.333 575 I HA -0.135 4.035 4.170 0.001 0.000 0.246 575 I C 2.595 178.403 176.117 -0.515 0.000 1.106 575 I CA 0.303 61.249 61.300 -0.589 0.000 1.411 575 I CB -0.172 37.597 38.000 -0.385 0.000 1.082 575 I HN -0.118 nan 8.210 nan 0.000 0.420 576 R N 1.086 121.190 120.500 -0.659 0.000 2.189 576 R HA -0.246 4.095 4.340 0.001 0.000 0.252 576 R C 1.076 177.105 176.300 -0.452 0.000 1.134 576 R CA 2.300 57.963 56.100 -0.728 0.000 0.954 576 R CB -0.291 29.415 30.300 -0.990 0.000 0.890 576 R HN 0.427 nan 8.270 nan 0.000 0.443 577 Y N -0.980 119.205 120.300 -0.190 0.000 2.720 577 Y HA 0.268 4.818 4.550 0.001 0.000 0.268 577 Y C -0.070 175.778 175.900 -0.086 0.000 1.142 577 Y CA -0.829 57.212 58.100 -0.098 0.000 1.193 577 Y CB 0.834 39.255 38.460 -0.064 0.000 1.176 577 Y HN 0.049 nan 8.280 nan 0.000 0.542 578 K N -0.412 119.947 120.400 -0.067 0.000 3.088 578 K HA -0.235 4.085 4.320 0.001 0.000 0.273 578 K C 1.278 177.908 176.600 0.049 0.000 1.111 578 K CA 0.558 56.822 56.287 -0.038 0.000 0.803 578 K CB -1.514 31.127 32.500 0.234 0.000 1.226 578 K HN 0.706 nan 8.250 nan 0.000 0.485 579 G N -0.608 108.145 108.800 -0.077 0.000 2.595 579 G HA2 -0.059 3.902 3.960 0.001 0.000 0.213 579 G HA3 -0.059 3.902 3.960 0.001 0.000 0.213 579 G C 0.203 175.224 174.900 0.202 0.000 1.141 579 G CA 0.308 45.463 45.100 0.090 0.000 0.806 579 G HN 0.429 nan 8.290 nan 0.000 0.530 580 Y N 0.930 121.277 120.300 0.078 0.000 3.396 580 Y HA -0.299 4.252 4.550 0.001 0.000 0.214 580 Y C 2.294 178.317 175.900 0.206 0.000 1.203 580 Y CA 0.429 58.617 58.100 0.146 0.000 1.401 580 Y CB -2.339 36.208 38.460 0.144 0.000 1.409 580 Y HN 0.368 nan 8.280 nan 0.000 0.594 581 S N -1.578 114.246 115.700 0.206 0.000 2.402 581 S HA -0.179 4.292 4.470 0.001 0.000 0.229 581 S C 1.603 176.309 174.600 0.177 0.000 1.021 581 S CA 1.221 59.525 58.200 0.174 0.000 0.974 581 S CB -0.043 63.220 63.200 0.105 0.000 0.800 581 S HN 0.705 nan 8.310 nan 0.000 0.484 582 E N 0.191 120.497 120.200 0.178 0.000 2.047 582 E HA -0.119 4.232 4.350 0.001 0.000 0.191 582 E C 1.892 178.632 176.600 0.234 0.000 0.987 582 E CA 1.315 57.814 56.400 0.165 0.000 0.799 582 E CB -0.386 29.394 29.700 0.134 0.000 0.752 582 E HN 0.706 nan 8.360 nan 0.000 0.449 583 Y N 1.889 122.324 120.300 0.225 0.000 2.097 583 Y HA -0.239 4.312 4.550 0.001 0.000 0.282 583 Y C 2.083 178.114 175.900 0.220 0.000 1.152 583 Y CA 1.549 59.816 58.100 0.278 0.000 1.136 583 Y CB -0.328 38.450 38.460 0.531 0.000 0.975 583 Y HN -0.072 nan 8.280 nan 0.000 0.498 584 L N -0.097 121.329 121.223 0.338 0.000 2.046 584 L HA -0.249 4.092 4.340 0.001 0.000 0.208 584 L C 2.090 178.999 176.870 0.065 0.000 1.077 584 L CA 1.577 56.518 54.840 0.169 0.000 0.747 584 L CB -0.647 41.555 42.059 0.237 0.000 0.896 584 L HN 0.259 nan 8.230 nan 0.000 0.432 585 D N -0.182 120.269 120.400 0.085 0.000 2.178 585 D HA -0.182 4.459 4.640 0.001 0.000 0.201 585 D C 2.127 178.436 176.300 0.016 0.000 0.980 585 D CA 1.023 55.054 54.000 0.053 0.000 0.842 585 D CB 0.008 40.845 40.800 0.061 0.000 0.948 585 D HN 0.032 nan 8.370 nan 0.000 0.472 586 K N 0.788 121.183 120.400 -0.008 0.000 2.103 586 K HA -0.008 4.312 4.320 0.001 0.000 0.204 586 K C 1.930 178.477 176.600 -0.088 0.000 1.052 586 K CA 0.385 56.647 56.287 -0.042 0.000 0.945 586 K CB -0.544 31.930 32.500 -0.043 0.000 0.722 586 K HN -0.041 nan 8.250 nan 0.000 0.443 587 V N 1.325 121.143 119.914 -0.160 0.000 2.343 587 V HA -0.244 3.876 4.120 0.001 0.000 0.247 587 V C 2.138 178.198 176.094 -0.057 0.000 1.051 587 V CA 1.867 64.073 62.300 -0.157 0.000 1.036 587 V CB -0.348 31.352 31.823 -0.206 0.000 0.654 587 V HN 0.331 nan 8.190 nan 0.000 0.451 588 K N -0.202 120.185 120.400 -0.020 0.000 2.097 588 K HA -0.159 4.162 4.320 0.001 0.000 0.205 588 K C 2.261 178.864 176.600 0.005 0.000 1.050 588 K CA 1.244 57.538 56.287 0.011 0.000 0.938 588 K CB -0.179 32.344 32.500 0.038 0.000 0.718 588 K HN 0.419 nan 8.250 nan 0.000 0.442 589 K N 0.829 121.227 120.400 -0.002 0.000 2.057 589 K HA -0.083 4.238 4.320 0.001 0.000 0.207 589 K C 2.121 178.710 176.600 -0.018 0.000 1.049 589 K CA 1.054 57.340 56.287 -0.002 0.000 0.931 589 K CB -0.104 32.396 32.500 -0.001 0.000 0.714 589 K HN 0.076 nan 8.250 nan 0.000 0.440 590 L N 0.557 121.761 121.223 -0.033 0.000 2.046 590 L HA -0.187 4.154 4.340 0.001 0.000 0.208 590 L C 2.350 179.189 176.870 -0.050 0.000 1.077 590 L CA 0.886 55.700 54.840 -0.043 0.000 0.747 590 L CB -0.483 41.545 42.059 -0.052 0.000 0.896 590 L HN -0.011 nan 8.230 nan 0.000 0.432 591 V N -1.003 118.884 119.914 -0.045 0.000 2.343 591 V HA -0.312 3.808 4.120 0.001 0.000 0.247 591 V C 2.597 178.641 176.094 -0.085 0.000 1.051 591 V CA 1.766 64.033 62.300 -0.055 0.000 1.036 591 V CB -0.479 31.324 31.823 -0.034 0.000 0.654 591 V HN 0.561 nan 8.190 nan 0.000 0.451 592 C N -0.535 118.726 119.300 -0.065 0.000 2.413 592 C HA -0.201 4.260 4.460 0.001 0.000 0.277 592 C C 2.838 177.766 174.990 -0.103 0.000 1.265 592 C CA 1.046 60.006 59.018 -0.096 0.000 1.752 592 C CB -1.090 26.654 27.740 0.007 0.000 1.998 592 C HN 0.604 nan 8.230 nan 0.000 0.489 593 Q N 0.099 119.859 119.800 -0.065 0.000 2.124 593 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 593 Q C 2.232 178.184 176.000 -0.080 0.000 0.977 593 Q CA 1.213 56.980 55.803 -0.060 0.000 0.850 593 Q CB -0.213 28.496 28.738 -0.047 0.000 0.901 593 Q HN 0.676 nan 8.270 nan 0.000 0.429 594 L N 0.285 121.454 121.223 -0.090 0.000 2.046 594 L HA -0.217 4.124 4.340 0.001 0.000 0.208 594 L C 2.307 179.111 176.870 -0.111 0.000 1.077 594 L CA 1.065 55.849 54.840 -0.094 0.000 0.747 594 L CB -0.390 41.617 42.059 -0.087 0.000 0.896 594 L HN 0.280 nan 8.230 nan 0.000 0.432 595 I N -0.185 120.291 120.570 -0.158 0.000 2.226 595 I HA -0.309 3.862 4.170 0.001 0.000 0.245 595 I C 2.068 178.092 176.117 -0.155 0.000 1.100 595 I CA 1.594 62.770 61.300 -0.207 0.000 1.374 595 I CB -0.498 37.242 38.000 -0.433 0.000 1.057 595 I HN 0.369 nan 8.210 nan 0.000 0.413 596 N N 0.644 119.265 118.700 -0.131 0.000 2.104 596 N HA -0.236 4.505 4.740 0.001 0.000 0.190 596 N C 0.445 175.924 175.510 -0.052 0.000 1.024 596 N CA 0.861 53.872 53.050 -0.065 0.000 0.853 596 N CB -0.073 38.391 38.487 -0.039 0.000 1.008 596 N HN 0.250 nan 8.380 nan 0.000 0.424 597 N N 0.752 119.415 118.700 -0.061 0.000 2.756 597 N HA -0.160 4.580 4.740 0.001 0.000 0.248 597 N C -1.764 173.722 175.510 -0.040 0.000 1.062 597 N CA 0.493 53.512 53.050 -0.053 0.000 0.696 597 N CB -1.407 37.049 38.487 -0.051 0.000 0.946 597 N HN 0.293 nan 8.380 nan 0.000 0.548 598 D N 0.110 120.488 120.400 -0.037 0.000 2.540 598 D HA 0.563 5.204 4.640 0.001 0.000 0.251 598 D C 1.089 177.373 176.300 -0.027 0.000 1.159 598 D CA 0.915 54.900 54.000 -0.027 0.000 0.974 598 D CB -0.134 40.654 40.800 -0.020 0.000 0.996 598 D HN 0.632 nan 8.370 nan 0.000 0.512 599 G N 1.359 110.142 108.800 -0.028 0.000 2.512 599 G HA2 -0.260 3.700 3.960 0.001 0.000 0.254 599 G HA3 -0.260 3.700 3.960 0.001 0.000 0.254 599 G C 0.154 175.034 174.900 -0.033 0.000 1.199 599 G CA -0.334 44.750 45.100 -0.026 0.000 0.941 599 G HN 0.359 nan 8.290 nan 0.000 0.569 600 T N 0.962 115.499 114.554 -0.028 0.000 2.889 600 T HA 0.532 4.882 4.350 0.001 0.000 0.291 600 T C 0.453 175.131 174.700 -0.037 0.000 0.995 600 T CA 0.024 62.104 62.100 -0.033 0.000 1.092 600 T CB 1.119 69.974 68.868 -0.021 0.000 0.954 600 T HN 0.570 nan 8.240 nan 0.000 0.506 601 I N 3.846 124.385 120.570 -0.052 0.000 2.363 601 I HA 0.280 4.450 4.170 0.001 0.000 0.292 601 I C 0.080 176.177 176.117 -0.032 0.000 1.075 601 I CA 0.343 61.612 61.300 -0.052 0.000 1.333 601 I CB -0.100 37.850 38.000 -0.083 0.000 1.415 601 I HN 0.463 nan 8.210 nan 0.000 0.502 602 I N 6.398 126.955 120.570 -0.022 0.000 2.530 602 I HA 0.355 4.526 4.170 0.001 0.000 0.297 602 I C -0.226 175.886 176.117 -0.009 0.000 1.011 602 I CA -0.887 60.407 61.300 -0.010 0.000 1.107 602 I CB 1.896 39.893 38.000 -0.006 0.000 1.285 602 I HN 0.379 nan 8.210 nan 0.000 0.436 603 L N 5.916 127.138 121.223 -0.002 0.000 2.417 603 L HA 0.705 5.046 4.340 0.001 0.000 0.268 603 L C 0.159 177.030 176.870 0.002 0.000 1.158 603 L CA 0.326 55.165 54.840 -0.002 0.000 0.819 603 L CB 1.031 43.092 42.059 0.004 0.000 1.112 603 L HN 0.962 nan 8.230 nan 0.000 0.458 604 A N 0.000 122.822 122.820 0.003 0.000 2.254 604 A HA 0.000 4.321 4.320 0.001 0.000 0.244 604 A CA 0.000 52.041 52.037 0.006 0.000 0.836 604 A CB 0.000 19.003 19.000 0.006 0.000 0.831 604 A HN 0.000 nan 8.150 nan 0.000 0.486