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 3i3b_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAA GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.098 176.300 -0.336 0.000 0.893 13 R CA 0.000 55.970 56.100 -0.217 0.000 0.921 13 R CB 0.000 30.173 30.300 -0.212 0.000 0.687 14 R N 2.053 122.246 120.500 -0.511 0.000 3.038 14 R HA -0.164 4.190 4.340 0.023 0.000 0.242 14 R C -0.292 175.501 176.300 -0.844 0.000 0.866 14 R CA 0.890 56.285 56.100 -1.175 0.000 0.601 14 R CB -1.181 28.549 30.300 -0.950 0.000 1.107 14 R HN 0.268 nan 8.270 nan 0.000 0.492 15 D N -0.077 120.024 120.400 -0.498 0.000 2.309 15 D HA -0.165 4.488 4.640 0.023 0.000 0.212 15 D C 1.568 177.785 176.300 -0.138 0.000 0.968 15 D CA 1.489 55.265 54.000 -0.374 0.000 0.882 15 D CB -0.090 40.313 40.800 -0.662 0.000 0.918 15 D HN 0.740 nan 8.370 nan 0.000 0.503 16 W N 1.313 122.627 121.300 0.025 0.000 3.292 16 W HA 0.223 4.896 4.660 0.022 0.000 0.263 16 W C 0.474 177.100 176.519 0.179 0.000 1.318 16 W CA -0.288 57.185 57.345 0.214 0.000 1.663 16 W CB -0.179 29.448 29.460 0.278 0.000 1.114 16 W HN -0.207 nan 8.180 nan 0.000 0.706 17 E N 1.158 121.262 120.200 -0.160 0.000 3.306 17 E HA 0.047 4.411 4.350 0.023 0.000 0.197 17 E C -0.789 175.690 176.600 -0.203 0.000 0.980 17 E CA -0.210 56.121 56.400 -0.114 0.000 1.259 17 E CB -0.160 29.452 29.700 -0.146 0.000 1.112 17 E HN 0.036 nan 8.360 nan 0.000 0.458 18 N N 1.195 119.802 118.700 -0.155 0.000 2.571 18 N HA 0.124 4.878 4.740 0.023 0.000 0.286 18 N C -2.316 173.057 175.510 -0.228 0.000 1.138 18 N CA -1.890 51.026 53.050 -0.224 0.000 0.859 18 N CB 1.542 39.905 38.487 -0.207 0.000 1.414 18 N HN -0.173 nan 8.380 nan 0.000 0.529 19 P HA 0.052 nan 4.420 nan 0.000 0.234 19 P C 1.000 178.068 177.300 -0.387 0.000 1.167 19 P CA 0.517 63.284 63.100 -0.555 0.000 0.763 19 P CB 0.151 31.001 31.700 -1.417 0.000 0.835 20 G N -0.147 108.471 108.800 -0.304 0.000 2.551 20 G HA2 0.028 4.002 3.960 0.023 0.000 0.216 20 G HA3 0.028 4.002 3.960 0.023 0.000 0.216 20 G C 0.437 175.264 174.900 -0.123 0.000 1.137 20 G CA 0.191 45.164 45.100 -0.212 0.000 0.798 20 G HN 0.217 nan 8.290 nan 0.000 0.536 21 V N 1.860 121.721 119.914 -0.088 0.000 2.304 21 V HA 0.269 4.403 4.120 0.023 0.000 0.278 21 V C 0.848 177.013 176.094 0.117 0.000 1.018 21 V CA 0.109 62.409 62.300 0.000 0.000 0.814 21 V CB 1.113 32.913 31.823 -0.039 0.000 1.021 21 V HN 0.331 nan 8.190 nan 0.000 0.440 22 T N 0.562 115.178 114.554 0.104 0.000 3.069 22 T HA 0.381 4.745 4.350 0.023 0.000 0.252 22 T C 0.262 175.032 174.700 0.116 0.000 1.053 22 T CA 0.060 62.230 62.100 0.117 0.000 0.964 22 T CB 0.207 69.093 68.868 0.030 0.000 1.005 22 T HN 0.715 nan 8.240 nan 0.000 0.532 23 Q N 0.111 120.038 119.800 0.212 0.000 2.959 23 Q HA 0.609 4.963 4.340 0.023 0.000 0.288 23 Q C -2.398 173.763 176.000 0.268 0.000 0.911 23 Q CA -0.991 54.936 55.803 0.207 0.000 0.800 23 Q CB 0.462 29.226 28.738 0.043 0.000 1.645 23 Q HN 0.218 nan 8.270 nan 0.000 0.454 24 L N 1.670 123.074 121.223 0.301 0.000 2.516 24 L HA 0.597 4.951 4.340 0.023 0.000 0.267 24 L C -0.606 176.404 176.870 0.234 0.000 0.957 24 L CA -0.806 54.206 54.840 0.287 0.000 0.860 24 L CB 1.908 44.242 42.059 0.459 0.000 1.265 24 L HN 0.860 nan 8.230 nan 0.000 0.403 25 N N 0.998 119.800 118.700 0.171 0.000 2.800 25 N HA -0.201 4.553 4.740 0.023 0.000 0.250 25 N C 0.211 175.824 175.510 0.172 0.000 1.078 25 N CA 0.839 53.978 53.050 0.147 0.000 0.804 25 N CB -0.688 37.831 38.487 0.054 0.000 1.135 25 N HN 0.655 nan 8.380 nan 0.000 0.565 26 R N 1.012 121.538 120.500 0.044 0.000 2.438 26 R HA 0.380 4.734 4.340 0.023 0.000 0.287 26 R C 0.529 176.696 176.300 -0.221 0.000 1.077 26 R CA -0.320 55.573 56.100 -0.345 0.000 1.034 26 R CB 0.534 30.633 30.300 -0.336 0.000 0.993 26 R HN 0.120 nan 8.270 nan 0.000 0.459 27 L N 2.998 124.054 121.223 -0.278 0.000 2.453 27 L HA 0.294 4.648 4.340 0.023 0.000 0.261 27 L C 0.638 177.453 176.870 -0.091 0.000 1.179 27 L CA -0.546 54.227 54.840 -0.112 0.000 0.813 27 L CB 0.832 42.857 42.059 -0.057 0.000 1.110 27 L HN 0.773 nan 8.230 nan 0.000 0.466 28 A N 1.466 124.276 122.820 -0.016 0.000 2.483 28 A HA 0.483 4.816 4.320 0.023 0.000 0.238 28 A C 0.319 177.891 177.584 -0.020 0.000 1.070 28 A CA -0.019 52.014 52.037 -0.008 0.000 0.770 28 A CB 0.179 19.202 19.000 0.037 0.000 1.008 28 A HN 0.793 nan 8.150 nan 0.000 0.497 29 A N 1.575 124.336 122.820 -0.098 0.000 2.366 29 A HA 0.669 5.002 4.320 0.023 0.000 0.249 29 A C 0.145 177.612 177.584 -0.194 0.000 1.084 29 A CA 0.538 52.432 52.037 -0.238 0.000 0.794 29 A CB -0.075 18.808 19.000 -0.196 0.000 1.034 29 A HN 1.923 nan 8.150 nan 0.000 0.491 30 H N -2.402 116.538 119.070 -0.217 0.000 2.917 30 H HA 0.635 5.204 4.556 0.022 0.000 0.299 30 H C -3.450 171.609 175.328 -0.448 0.000 1.418 30 H CA -1.835 54.017 56.048 -0.326 0.000 1.138 30 H CB -0.083 29.399 29.762 -0.467 0.000 1.830 30 H HN 0.367 nan 8.280 nan 0.000 0.514 31 P HA 0.227 nan 4.420 nan 0.000 0.274 31 P C -2.586 174.552 177.300 -0.270 0.000 1.256 31 P CA -1.332 61.569 63.100 -0.333 0.000 0.795 31 P CB -0.105 31.277 31.700 -0.530 0.000 1.038 32 P HA 0.012 nan 4.420 nan 0.000 0.261 32 P C -0.886 176.572 177.300 0.263 0.000 1.183 32 P CA 1.109 64.247 63.100 0.063 0.000 0.761 32 P CB -0.114 31.665 31.700 0.132 0.000 0.785 33 F N 2.037 122.080 119.950 0.155 0.000 2.556 33 F HA 0.633 5.174 4.527 0.023 0.000 0.327 33 F C 0.980 176.716 175.800 -0.108 0.000 1.059 33 F CA -1.320 56.707 58.000 0.046 0.000 0.953 33 F CB 1.372 40.339 39.000 -0.054 0.000 1.227 33 F HN 0.292 nan 8.300 nan 0.000 0.478 34 A N 0.138 122.904 122.820 -0.090 0.000 2.591 34 A HA 0.320 4.654 4.320 0.023 0.000 0.204 34 A C 0.665 177.968 177.584 -0.469 0.000 1.410 34 A CA 0.624 52.372 52.037 -0.482 0.000 1.065 34 A CB -0.346 17.894 19.000 -1.266 0.000 1.362 34 A HN 0.888 nan 8.150 nan 0.000 0.566 35 S N 0.380 115.911 115.700 -0.281 0.000 3.550 35 S HA -0.151 4.333 4.470 0.023 0.000 0.372 35 S C -0.044 174.499 174.600 -0.094 0.000 0.966 35 S CA 0.444 58.531 58.200 -0.188 0.000 1.229 35 S CB -1.631 61.454 63.200 -0.192 0.000 0.917 35 S HN 0.466 nan 8.310 nan 0.000 0.496 36 W N 1.716 122.990 121.300 -0.043 0.000 2.193 36 W HA 0.221 4.894 4.660 0.022 0.000 0.338 36 W C 1.300 177.793 176.519 -0.044 0.000 1.310 36 W CA -0.496 56.830 57.345 -0.031 0.000 1.243 36 W CB 0.245 29.688 29.460 -0.028 0.000 1.165 36 W HN 0.339 nan 8.180 nan 0.000 0.566 37 R N 2.206 122.828 120.500 0.204 0.000 2.546 37 R HA 0.090 4.444 4.340 0.023 0.000 0.320 37 R C -0.082 176.267 176.300 0.081 0.000 1.021 37 R CA -0.133 56.026 56.100 0.099 0.000 1.088 37 R CB -0.287 30.043 30.300 0.051 0.000 1.278 37 R HN 0.366 nan 8.270 nan 0.000 0.557 38 N N -0.163 118.597 118.700 0.100 0.000 2.478 38 N HA 0.095 4.849 4.740 0.023 0.000 0.291 38 N C -0.158 175.310 175.510 -0.069 0.000 1.090 38 N CA -0.007 53.052 53.050 0.015 0.000 0.911 38 N CB 1.799 40.296 38.487 0.017 0.000 1.546 38 N HN -0.251 nan 8.380 nan 0.000 0.500 39 S N 2.225 117.865 115.700 -0.100 0.000 2.383 39 S HA -0.146 4.337 4.470 0.023 0.000 0.227 39 S C 1.386 175.805 174.600 -0.302 0.000 1.026 39 S CA 1.046 59.142 58.200 -0.173 0.000 0.981 39 S CB 0.005 63.141 63.200 -0.107 0.000 0.818 39 S HN 0.737 nan 8.310 nan 0.000 0.472 40 E N 1.708 121.748 120.200 -0.267 0.000 2.106 40 E HA -0.125 4.238 4.350 0.023 0.000 0.192 40 E C 1.870 178.243 176.600 -0.379 0.000 0.984 40 E CA 1.087 57.292 56.400 -0.325 0.000 0.806 40 E CB -0.181 29.385 29.700 -0.224 0.000 0.750 40 E HN 0.290 nan 8.360 nan 0.000 0.458 41 E N 0.007 119.989 120.200 -0.364 0.000 2.106 41 E HA -0.106 4.257 4.350 0.023 0.000 0.192 41 E C 1.932 177.901 176.600 -1.052 0.000 0.984 41 E CA 1.076 57.208 56.400 -0.447 0.000 0.806 41 E CB -0.375 29.210 29.700 -0.192 0.000 0.750 41 E HN 0.373 nan 8.360 nan 0.000 0.458 42 A N 1.416 123.458 122.820 -1.297 0.000 1.898 42 A HA -0.163 4.171 4.320 0.023 0.000 0.216 42 A C 2.228 179.226 177.584 -0.977 0.000 1.181 42 A CA 1.488 52.469 52.037 -1.761 0.000 0.620 42 A CB -0.430 18.064 19.000 -0.844 0.000 0.819 42 A HN 0.121 nan 8.150 nan 0.000 0.442 43 R N -0.084 120.021 120.500 -0.658 0.000 2.073 43 R HA -0.138 4.215 4.340 0.023 0.000 0.234 43 R C 2.061 178.109 176.300 -0.420 0.000 1.134 43 R CA 2.170 57.944 56.100 -0.543 0.000 0.952 43 R CB -0.544 29.311 30.300 -0.741 0.000 0.850 43 R HN 0.603 nan 8.270 nan 0.000 0.433 44 T N -2.244 112.071 114.554 -0.398 0.000 3.148 44 T HA -0.007 4.357 4.350 0.023 0.000 0.253 44 T C 0.307 174.910 174.700 -0.161 0.000 1.134 44 T CA 0.649 62.603 62.100 -0.242 0.000 1.051 44 T CB -0.146 68.605 68.868 -0.195 0.000 0.959 44 T HN 0.446 nan 8.240 nan 0.000 0.525 45 D N 0.900 121.153 120.400 -0.246 0.000 2.708 45 D HA -0.172 4.481 4.640 0.023 0.000 0.236 45 D C -0.037 176.386 176.300 0.204 0.000 1.146 45 D CA 0.473 54.474 54.000 0.002 0.000 0.662 45 D CB -0.986 39.873 40.800 0.098 0.000 1.059 45 D HN 0.601 nan 8.370 nan 0.000 0.428 46 R N -0.068 120.528 120.500 0.160 0.000 2.543 46 R HA 0.527 4.881 4.340 0.023 0.000 0.268 46 R C -2.144 174.429 176.300 0.454 0.000 1.067 46 R CA -1.645 54.596 56.100 0.236 0.000 1.142 46 R CB 0.207 30.577 30.300 0.115 0.000 1.110 46 R HN 0.069 nan 8.270 nan 0.000 0.549 47 P HA -0.093 nan 4.420 nan 0.000 0.264 47 P C -0.728 176.720 177.300 0.247 0.000 1.179 47 P CA 0.582 63.812 63.100 0.216 0.000 0.763 47 P CB 0.571 32.355 31.700 0.139 0.000 0.806 48 S N 1.856 117.580 115.700 0.040 0.000 2.454 48 S HA 0.126 4.610 4.470 0.023 0.000 0.306 48 S C 0.926 175.532 174.600 0.010 0.000 1.100 48 S CA -0.541 57.607 58.200 -0.087 0.000 1.087 48 S CB 0.461 63.282 63.200 -0.632 0.000 1.019 48 S HN 0.253 nan 8.310 nan 0.000 0.480 49 Q N 2.623 122.469 119.800 0.077 0.000 2.437 49 Q HA -0.045 4.308 4.340 0.023 0.000 0.210 49 Q C 0.824 176.942 176.000 0.196 0.000 0.972 49 Q CA 1.198 57.080 55.803 0.133 0.000 0.903 49 Q CB -0.005 28.810 28.738 0.129 0.000 0.967 49 Q HN 0.689 nan 8.270 nan 0.000 0.486 50 Q N -0.605 119.229 119.800 0.056 0.000 2.360 50 Q HA 0.117 4.471 4.340 0.023 0.000 0.202 50 Q C -0.200 175.844 176.000 0.074 0.000 0.915 50 Q CA 0.119 55.903 55.803 -0.031 0.000 0.943 50 Q CB 0.462 29.096 28.738 -0.174 0.000 1.064 50 Q HN 0.027 nan 8.270 nan 0.000 0.511 51 L N 1.069 122.348 121.223 0.094 0.000 2.366 51 L HA 0.407 4.761 4.340 0.023 0.000 0.266 51 L C -1.075 175.879 176.870 0.140 0.000 1.010 51 L CA -0.318 54.579 54.840 0.096 0.000 0.879 51 L CB 0.763 42.789 42.059 -0.055 0.000 1.228 51 L HN -0.114 nan 8.230 nan 0.000 0.439 52 R N 2.168 122.795 120.500 0.211 0.000 2.428 52 R HA 0.558 4.912 4.340 0.023 0.000 0.294 52 R C -0.292 176.028 176.300 0.035 0.000 1.000 52 R CA -0.536 55.622 56.100 0.097 0.000 0.960 52 R CB 1.753 32.062 30.300 0.015 0.000 1.076 52 R HN 0.630 nan 8.270 nan 0.000 0.475 53 S N 2.127 117.836 115.700 0.015 0.000 2.541 53 S HA 0.295 4.779 4.470 0.023 0.000 0.283 53 S C 0.542 175.138 174.600 -0.007 0.000 1.196 53 S CA -0.678 57.523 58.200 0.002 0.000 1.062 53 S CB 0.604 63.816 63.200 0.020 0.000 1.009 53 S HN 0.573 nan 8.310 nan 0.000 0.502 54 L N 3.456 124.678 121.223 -0.001 0.000 2.857 54 L HA 0.299 4.653 4.340 0.023 0.000 0.249 54 L C 0.147 177.178 176.870 0.268 0.000 1.172 54 L CA -0.377 54.488 54.840 0.042 0.000 0.980 54 L CB -0.185 41.844 42.059 -0.050 0.000 1.299 54 L HN 0.538 nan 8.230 nan 0.000 0.535 55 N N 1.325 120.119 118.700 0.157 0.000 2.415 55 N HA 0.441 5.195 4.740 0.023 0.000 0.248 55 N C 0.679 176.326 175.510 0.228 0.000 1.271 55 N CA 1.027 54.171 53.050 0.157 0.000 0.913 55 N CB 1.195 39.708 38.487 0.043 0.000 1.129 55 N HN 0.282 nan 8.380 nan 0.000 0.444 56 G N 0.203 109.150 108.800 0.245 0.000 2.247 56 G HA2 -0.086 3.887 3.960 0.023 0.000 0.229 56 G HA3 -0.086 3.887 3.960 0.023 0.000 0.229 56 G C -1.608 173.513 174.900 0.369 0.000 1.345 56 G CA -0.789 44.459 45.100 0.246 0.000 1.100 56 G HN 0.470 nan 8.290 nan 0.000 0.473 57 E N -0.011 120.382 120.200 0.321 0.000 2.229 57 E HA 0.468 4.832 4.350 0.023 0.000 0.283 57 E C -0.985 175.897 176.600 0.470 0.000 1.030 57 E CA -0.116 56.487 56.400 0.339 0.000 0.836 57 E CB 1.116 30.931 29.700 0.192 0.000 1.068 57 E HN 0.360 nan 8.360 nan 0.000 0.401 58 W N 1.486 122.890 121.300 0.173 0.000 2.894 58 W HA 0.391 5.064 4.660 0.023 0.000 0.345 58 W C 0.125 176.786 176.519 0.237 0.000 1.152 58 W CA -0.775 56.705 57.345 0.224 0.000 1.089 58 W CB 0.803 30.452 29.460 0.316 0.000 1.454 58 W HN 0.181 nan 8.180 nan 0.000 0.589 59 R N 1.508 122.295 120.500 0.478 0.000 2.368 59 R HA 0.567 4.921 4.340 0.023 0.000 0.302 59 R C -1.454 175.097 176.300 0.420 0.000 1.002 59 R CA -0.861 55.452 56.100 0.356 0.000 0.929 59 R CB 1.000 31.454 30.300 0.257 0.000 1.073 59 R HN 0.474 nan 8.270 nan 0.000 0.464 60 F N 0.546 120.540 119.950 0.073 0.000 2.581 60 F HA 0.614 5.154 4.527 0.023 0.000 0.311 60 F C -1.481 174.141 175.800 -0.297 0.000 1.113 60 F CA -0.590 57.304 58.000 -0.177 0.000 0.935 60 F CB 1.913 40.734 39.000 -0.297 0.000 1.232 60 F HN 0.610 nan 8.300 nan 0.000 0.445 61 A N 4.705 126.736 122.820 -1.315 0.000 2.422 61 A HA 0.603 4.936 4.320 0.023 0.000 0.302 61 A C -2.385 174.139 177.584 -1.766 0.000 1.041 61 A CA -0.543 50.770 52.037 -1.206 0.000 0.708 61 A CB 0.813 19.346 19.000 -0.778 0.000 1.257 61 A HN 0.936 nan 8.150 nan 0.000 0.414 62 W N 2.635 122.973 121.300 -1.604 0.000 2.520 62 W HA 0.749 5.423 4.660 0.023 0.000 0.323 62 W C -1.898 173.896 176.519 -1.208 0.000 1.062 62 W CA -0.394 56.163 57.345 -1.313 0.000 1.215 62 W CB 1.129 30.116 29.460 -0.789 0.000 1.340 62 W HN 0.485 nan 8.180 nan 0.000 0.516 63 F N 6.525 125.768 119.950 -1.178 0.000 2.576 63 F HA 0.369 4.909 4.527 0.023 0.000 0.313 63 F C -1.207 173.747 175.800 -1.411 0.000 1.078 63 F CA -2.400 55.041 58.000 -0.931 0.000 0.921 63 F CB 1.822 40.426 39.000 -0.660 0.000 1.232 63 F HN 0.219 nan 8.300 nan 0.000 0.459 64 P HA 0.049 nan 4.420 nan 0.000 0.223 64 P C -0.236 176.914 177.300 -0.250 0.000 1.151 64 P CA 1.006 63.851 63.100 -0.425 0.000 0.787 64 P CB 0.732 32.443 31.700 0.018 0.000 0.788 65 A N -0.547 122.138 122.820 -0.225 0.000 2.608 65 A HA 0.507 4.840 4.320 0.023 0.000 0.292 65 A C -2.423 175.041 177.584 -0.199 0.000 1.066 65 A CA -1.037 50.913 52.037 -0.144 0.000 0.676 65 A CB 0.525 19.507 19.000 -0.030 0.000 1.277 65 A HN -0.262 nan 8.150 nan 0.000 0.413 66 P HA -0.109 nan 4.420 nan 0.000 0.222 66 P C 0.521 177.720 177.300 -0.167 0.000 1.147 66 P CA 1.378 64.344 63.100 -0.224 0.000 0.790 66 P CB 0.297 31.828 31.700 -0.282 0.000 0.780 67 E N 0.095 120.244 120.200 -0.085 0.000 2.427 67 E HA 0.051 4.414 4.350 0.023 0.000 0.196 67 E C 1.971 178.481 176.600 -0.150 0.000 1.028 67 E CA 0.746 57.105 56.400 -0.068 0.000 0.864 67 E CB -0.620 29.081 29.700 0.003 0.000 0.813 67 E HN 0.242 nan 8.360 nan 0.000 0.514 68 A N 0.335 123.018 122.820 -0.228 0.000 2.275 68 A HA 0.120 4.453 4.320 0.023 0.000 0.212 68 A C 0.645 177.835 177.584 -0.657 0.000 1.201 68 A CA -0.169 51.699 52.037 -0.283 0.000 0.843 68 A CB 0.338 19.255 19.000 -0.137 0.000 0.873 68 A HN 0.040 nan 8.150 nan 0.000 0.492 69 V N 3.570 123.007 119.914 -0.794 0.000 2.470 69 V HA 0.189 4.322 4.120 0.023 0.000 0.276 69 V C -1.933 173.806 176.094 -0.592 0.000 1.040 69 V CA -1.402 60.218 62.300 -1.133 0.000 1.008 69 V CB 0.670 31.957 31.823 -0.894 0.000 0.990 69 V HN 0.396 nan 8.190 nan 0.000 0.477 70 P HA 0.117 nan 4.420 nan 0.000 0.276 70 P C 0.641 177.882 177.300 -0.099 0.000 1.235 70 P CA -0.151 62.826 63.100 -0.206 0.000 0.772 70 P CB 1.159 32.790 31.700 -0.115 0.000 0.871 71 E N 2.595 122.747 120.200 -0.081 0.000 2.171 71 E HA -0.221 4.142 4.350 0.023 0.000 0.197 71 E C 1.638 178.209 176.600 -0.048 0.000 0.997 71 E CA 1.852 58.213 56.400 -0.066 0.000 0.810 71 E CB -0.069 29.596 29.700 -0.058 0.000 0.738 71 E HN 0.547 nan 8.360 nan 0.000 0.467 72 S N -0.105 115.584 115.700 -0.018 0.000 2.419 72 S HA -0.214 4.269 4.470 0.023 0.000 0.235 72 S C 1.652 176.258 174.600 0.010 0.000 1.019 72 S CA 0.972 59.167 58.200 -0.009 0.000 0.982 72 S CB -0.893 62.314 63.200 0.011 0.000 0.789 72 S HN 0.624 nan 8.310 nan 0.000 0.490 73 W N 2.458 123.670 121.300 -0.146 0.000 2.331 73 W HA -0.028 4.645 4.660 0.022 0.000 0.291 73 W C 1.612 178.027 176.519 -0.175 0.000 1.214 73 W CA 1.039 58.300 57.345 -0.140 0.000 1.228 73 W CB -0.410 28.947 29.460 -0.171 0.000 1.135 73 W HN 0.289 nan 8.180 nan 0.000 0.537 74 L N 0.161 121.135 121.223 -0.415 0.000 2.093 74 L HA -0.148 4.205 4.340 0.023 0.000 0.208 74 L C 2.519 179.154 176.870 -0.393 0.000 1.085 74 L CA 1.229 55.675 54.840 -0.657 0.000 0.755 74 L CB -0.753 40.949 42.059 -0.594 0.000 0.904 74 L HN -0.085 nan 8.230 nan 0.000 0.435 75 E N -0.600 119.462 120.200 -0.230 0.000 2.140 75 E HA -0.003 4.360 4.350 0.023 0.000 0.191 75 E C 0.589 177.116 176.600 -0.122 0.000 0.973 75 E CA 0.719 57.038 56.400 -0.136 0.000 0.829 75 E CB 0.391 30.043 29.700 -0.079 0.000 0.781 75 E HN 0.542 nan 8.360 nan 0.000 0.466 76 C N -0.739 118.490 119.300 -0.118 0.000 3.311 76 C HA 0.489 4.963 4.460 0.023 0.000 0.325 76 C C -0.459 174.515 174.990 -0.028 0.000 1.352 76 C CA -1.506 57.469 59.018 -0.071 0.000 1.308 76 C CB 0.996 28.717 27.740 -0.031 0.000 1.619 76 C HN 0.102 nan 8.230 nan 0.000 0.469 77 D N 0.650 121.056 120.400 0.009 0.000 2.488 77 D HA 0.307 4.961 4.640 0.023 0.000 0.238 77 D C -0.228 176.141 176.300 0.115 0.000 1.138 77 D CA 0.376 54.425 54.000 0.081 0.000 0.873 77 D CB 0.486 41.325 40.800 0.066 0.000 1.183 77 D HN 0.594 nan 8.370 nan 0.000 0.458 78 L N 5.972 127.307 121.223 0.186 0.000 2.313 78 L HA 0.221 4.575 4.340 0.023 0.000 0.282 78 L C -1.341 175.586 176.870 0.094 0.000 1.092 78 L CA -1.544 53.386 54.840 0.150 0.000 0.831 78 L CB 1.236 43.403 42.059 0.181 0.000 1.159 78 L HN 0.507 nan 8.230 nan 0.000 0.442 79 P HA -0.192 nan 4.420 nan 0.000 0.219 79 P C 0.997 178.323 177.300 0.043 0.000 1.146 79 P CA 0.946 64.077 63.100 0.051 0.000 0.808 79 P CB 0.161 31.885 31.700 0.041 0.000 0.779 80 E N -0.610 119.611 120.200 0.036 0.000 2.478 80 E HA 0.079 4.442 4.350 0.023 0.000 0.198 80 E C 0.659 177.257 176.600 -0.004 0.000 1.046 80 E CA -0.073 56.335 56.400 0.013 0.000 0.870 80 E CB -0.385 29.313 29.700 -0.002 0.000 0.818 80 E HN 0.066 nan 8.360 nan 0.000 0.527 81 A N 1.377 124.203 122.820 0.011 0.000 2.366 81 A HA 0.165 4.499 4.320 0.023 0.000 0.249 81 A C -0.277 177.352 177.584 0.074 0.000 1.084 81 A CA -0.379 51.663 52.037 0.008 0.000 0.794 81 A CB 0.447 19.474 19.000 0.044 0.000 1.034 81 A HN 0.134 nan 8.150 nan 0.000 0.491 82 D N -0.221 120.256 120.400 0.128 0.000 2.392 82 D HA 0.508 5.161 4.640 0.023 0.000 0.246 82 D C -0.728 175.692 176.300 0.201 0.000 1.013 82 D CA -0.010 54.093 54.000 0.173 0.000 0.993 82 D CB 1.459 42.412 40.800 0.255 0.000 1.219 82 D HN 0.380 nan 8.370 nan 0.000 0.538 83 T N 0.593 115.250 114.554 0.171 0.000 2.743 83 T HA 0.491 4.854 4.350 0.023 0.000 0.292 83 T C 0.145 174.950 174.700 0.175 0.000 0.972 83 T CA -0.575 61.636 62.100 0.184 0.000 0.967 83 T CB 0.703 69.652 68.868 0.135 0.000 0.926 83 T HN 0.267 nan 8.240 nan 0.000 0.459 84 V N 1.394 121.450 119.914 0.237 0.000 3.126 84 V HA 0.818 4.951 4.120 0.023 0.000 0.314 84 V C -0.233 176.002 176.094 0.235 0.000 1.138 84 V CA -1.030 61.376 62.300 0.176 0.000 1.034 84 V CB 1.631 33.585 31.823 0.218 0.000 1.075 84 V HN 0.493 nan 8.190 nan 0.000 0.442 85 V N 1.617 121.643 119.914 0.188 0.000 2.607 85 V HA 0.561 4.694 4.120 0.023 0.000 0.289 85 V C -0.012 176.181 176.094 0.165 0.000 1.053 85 V CA -0.096 62.316 62.300 0.186 0.000 0.996 85 V CB 1.373 33.277 31.823 0.135 0.000 0.995 85 V HN 0.757 nan 8.190 nan 0.000 0.476 86 V N 6.362 126.292 119.914 0.026 0.000 2.709 86 V HA 0.461 4.594 4.120 0.023 0.000 0.308 86 V C -2.272 173.723 176.094 -0.165 0.000 1.062 86 V CA -1.641 60.530 62.300 -0.215 0.000 0.901 86 V CB 2.490 33.810 31.823 -0.838 0.000 1.003 86 V HN 0.765 nan 8.190 nan 0.000 0.425 87 P HA 0.388 nan 4.420 nan 0.000 0.272 87 P C -0.676 176.579 177.300 -0.075 0.000 1.230 87 P CA 0.052 63.044 63.100 -0.180 0.000 0.788 87 P CB 1.419 33.017 31.700 -0.170 0.000 0.949 88 S N -0.199 115.461 115.700 -0.066 0.000 2.633 88 S HA 0.310 4.793 4.470 0.023 0.000 0.271 88 S C -1.411 173.123 174.600 -0.110 0.000 1.112 88 S CA -1.084 57.070 58.200 -0.076 0.000 0.828 88 S CB -0.028 63.103 63.200 -0.115 0.000 1.086 88 S HN 0.438 nan 8.310 nan 0.000 0.461 89 N N 0.904 119.479 118.700 -0.208 0.000 2.421 89 N HA 0.477 5.231 4.740 0.023 0.000 0.285 89 N C 0.488 175.810 175.510 -0.314 0.000 1.027 89 N CA -0.798 52.087 53.050 -0.275 0.000 0.918 89 N CB 0.686 38.974 38.487 -0.331 0.000 1.152 89 N HN 0.864 nan 8.380 nan 0.000 0.485 90 W N 1.975 123.127 121.300 -0.246 0.000 2.611 90 W HA 0.017 4.691 4.660 0.023 0.000 0.251 90 W C 0.905 177.377 176.519 -0.078 0.000 1.265 90 W CA 0.379 57.567 57.345 -0.263 0.000 1.295 90 W CB -0.291 29.049 29.460 -0.199 0.000 1.129 90 W HN 0.502 nan 8.180 nan 0.000 0.630 91 Q N 0.601 120.347 119.800 -0.091 0.000 2.167 91 Q HA -0.089 4.264 4.340 0.023 0.000 0.202 91 Q C 2.176 178.116 176.000 -0.101 0.000 0.970 91 Q CA 1.666 57.429 55.803 -0.067 0.000 0.855 91 Q CB -0.542 28.047 28.738 -0.247 0.000 0.911 91 Q HN 0.268 nan 8.270 nan 0.000 0.438 92 M N -0.744 118.755 119.600 -0.169 0.000 2.557 92 M HA -0.057 4.436 4.480 0.023 0.000 0.259 92 M C 0.672 177.011 176.300 0.066 0.000 1.086 92 M CA 1.373 56.599 55.300 -0.123 0.000 1.096 92 M CB -0.579 31.921 32.600 -0.168 0.000 1.424 92 M HN 0.384 nan 8.290 nan 0.000 0.488 93 H N -0.900 118.158 119.070 -0.019 0.000 2.551 93 H HA 0.282 4.852 4.556 0.023 0.000 0.271 93 H C 1.327 176.500 175.328 -0.259 0.000 0.984 93 H CA 0.104 56.108 56.048 -0.074 0.000 1.164 93 H CB 0.431 30.233 29.762 0.066 0.000 1.437 93 H HN 0.560 nan 8.280 nan 0.000 0.550 94 G N 0.633 109.398 108.800 -0.058 0.000 2.176 94 G HA2 -0.377 3.597 3.960 0.023 0.000 0.253 94 G HA3 -0.377 3.597 3.960 0.023 0.000 0.253 94 G C 0.442 175.188 174.900 -0.257 0.000 0.979 94 G CA 0.383 45.389 45.100 -0.158 0.000 0.641 94 G HN 0.431 nan 8.290 nan 0.000 0.530 95 Y N 1.790 122.078 120.300 -0.020 0.000 2.224 95 Y HA 0.217 4.781 4.550 0.023 0.000 0.289 95 Y C 1.737 177.363 175.900 -0.457 0.000 1.146 95 Y CA 1.847 59.802 58.100 -0.241 0.000 1.182 95 Y CB 0.067 38.450 38.460 -0.129 0.000 0.983 95 Y HN 0.689 nan 8.280 nan 0.000 0.524 96 D N -2.292 118.125 120.400 0.028 0.000 2.643 96 D HA 0.509 5.163 4.640 0.023 0.000 0.283 96 D C -1.160 175.208 176.300 0.112 0.000 1.242 96 D CA -0.794 53.224 54.000 0.030 0.000 0.863 96 D CB 0.792 41.720 40.800 0.214 0.000 1.382 96 D HN -0.002 nan 8.370 nan 0.000 0.444 97 A N 0.192 123.092 122.820 0.133 0.000 2.354 97 A HA 0.656 4.990 4.320 0.023 0.000 0.269 97 A C -2.246 175.383 177.584 0.075 0.000 1.109 97 A CA -1.097 51.016 52.037 0.127 0.000 0.800 97 A CB 0.011 19.142 19.000 0.218 0.000 1.045 97 A HN 0.555 nan 8.150 nan 0.000 0.489 98 P HA 0.445 nan 4.420 nan 0.000 0.284 98 P C -0.954 176.528 177.300 0.302 0.000 1.253 98 P CA -0.008 63.055 63.100 -0.060 0.000 0.800 98 P CB 0.998 32.389 31.700 -0.516 0.000 0.961 99 I N 3.269 124.081 120.570 0.402 0.000 2.404 99 I HA 0.263 4.447 4.170 0.023 0.000 0.293 99 I C -0.437 175.836 176.117 0.260 0.000 0.992 99 I CA -0.994 60.529 61.300 0.373 0.000 1.149 99 I CB 1.417 39.582 38.000 0.275 0.000 1.315 99 I HN 0.320 nan 8.210 nan 0.000 0.446 100 Y N 6.267 126.459 120.300 -0.180 0.000 2.356 100 Y HA 0.551 5.114 4.550 0.022 0.000 0.334 100 Y C -0.390 175.344 175.900 -0.277 0.000 0.958 100 Y CA -0.602 57.148 58.100 -0.584 0.000 1.196 100 Y CB 1.314 38.929 38.460 -1.409 0.000 1.137 100 Y HN 0.549 nan 8.280 nan 0.000 0.485 101 T N 4.889 118.922 114.554 -0.868 0.000 2.909 101 T HA 0.266 4.630 4.350 0.023 0.000 0.299 101 T C 0.084 174.344 174.700 -0.733 0.000 1.073 101 T CA -0.572 61.065 62.100 -0.772 0.000 0.999 101 T CB 1.254 69.906 68.868 -0.358 0.000 1.098 101 T HN 0.767 nan 8.240 nan 0.000 0.477 102 N N 2.552 120.886 118.700 -0.610 0.000 2.272 102 N HA 0.050 4.804 4.740 0.023 0.000 0.195 102 N C 1.541 176.847 175.510 -0.340 0.000 1.048 102 N CA 1.783 54.637 53.050 -0.327 0.000 0.912 102 N CB -0.638 37.720 38.487 -0.215 0.000 1.096 102 N HN 0.373 nan 8.380 nan 0.000 0.471 103 V N 0.159 119.796 119.914 -0.461 0.000 2.436 103 V HA 0.110 4.243 4.120 0.023 0.000 0.240 103 V C 0.414 176.205 176.094 -0.505 0.000 1.040 103 V CA 0.973 62.903 62.300 -0.616 0.000 1.052 103 V CB -0.887 30.465 31.823 -0.785 0.000 0.707 103 V HN 0.343 nan 8.190 nan 0.000 0.469 104 T N 1.313 115.637 114.554 -0.382 0.000 2.831 104 T HA 0.078 4.441 4.350 0.023 0.000 0.291 104 T C -0.358 174.201 174.700 -0.234 0.000 0.981 104 T CA 0.304 62.248 62.100 -0.260 0.000 1.174 104 T CB -0.388 68.363 68.868 -0.195 0.000 0.929 104 T HN 0.169 nan 8.240 nan 0.000 0.532 105 Y N 5.354 125.554 120.300 -0.167 0.000 2.702 105 Y HA 0.083 4.646 4.550 0.022 0.000 0.336 105 Y C -0.619 175.144 175.900 -0.228 0.000 1.235 105 Y CA -1.546 56.440 58.100 -0.189 0.000 1.492 105 Y CB 0.360 38.704 38.460 -0.194 0.000 1.308 105 Y HN 0.519 nan 8.280 nan 0.000 0.589 106 P HA -0.071 nan 4.420 nan 0.000 0.230 106 P C -0.180 176.892 177.300 -0.379 0.000 1.158 106 P CA 1.283 64.260 63.100 -0.205 0.000 0.769 106 P CB 0.110 31.715 31.700 -0.158 0.000 0.807 107 I N -5.155 115.157 120.570 -0.429 0.000 3.002 107 I HA 0.478 4.662 4.170 0.023 0.000 0.310 107 I C -0.542 175.441 176.117 -0.223 0.000 1.087 107 I CA -1.276 59.757 61.300 -0.445 0.000 1.017 107 I CB 1.663 39.234 38.000 -0.716 0.000 1.226 107 I HN -0.463 nan 8.210 nan 0.000 0.443 108 T N 2.732 117.200 114.554 -0.143 0.000 2.902 108 T HA 0.142 4.505 4.350 0.023 0.000 0.301 108 T C 0.202 174.883 174.700 -0.031 0.000 1.012 108 T CA -0.210 61.858 62.100 -0.053 0.000 1.151 108 T CB 0.548 69.409 68.868 -0.012 0.000 0.946 108 T HN 0.372 nan 8.240 nan 0.000 0.542 109 V N 4.983 124.895 119.914 -0.004 0.000 2.381 109 V HA 0.205 4.338 4.120 0.023 0.000 0.257 109 V C 0.710 176.849 176.094 0.075 0.000 1.057 109 V CA -0.104 62.213 62.300 0.029 0.000 1.013 109 V CB -0.289 31.545 31.823 0.018 0.000 1.069 109 V HN 0.884 nan 8.190 nan 0.000 0.484 110 N N 5.967 124.767 118.700 0.166 0.000 2.679 110 N HA 0.225 4.978 4.740 0.023 0.000 0.240 110 N C -2.791 172.773 175.510 0.089 0.000 1.537 110 N CA -1.085 52.048 53.050 0.138 0.000 0.793 110 N CB 1.434 40.042 38.487 0.201 0.000 1.391 110 N HN 0.311 nan 8.380 nan 0.000 0.524 111 P HA 0.156 nan 4.420 nan 0.000 0.266 111 P C -2.110 174.973 177.300 -0.362 0.000 1.195 111 P CA -0.558 62.132 63.100 -0.684 0.000 0.768 111 P CB 0.834 31.968 31.700 -0.943 0.000 0.838 112 P HA 0.176 nan 4.420 nan 0.000 0.261 112 P C -0.275 176.946 177.300 -0.132 0.000 1.352 112 P CA -0.233 62.680 63.100 -0.312 0.000 0.891 112 P CB 0.071 31.579 31.700 -0.320 0.000 1.383 113 F N 1.556 121.605 119.950 0.166 0.000 2.418 113 F HA 0.233 4.774 4.527 0.023 0.000 0.341 113 F C 1.348 177.311 175.800 0.271 0.000 1.120 113 F CA -0.650 57.462 58.000 0.187 0.000 1.232 113 F CB 0.444 39.503 39.000 0.097 0.000 1.175 113 F HN -0.197 nan 8.300 nan 0.000 0.569 114 V N -0.324 119.859 119.914 0.449 0.000 3.074 114 V HA 0.722 4.855 4.120 0.023 0.000 0.314 114 V C -2.773 173.483 176.094 0.270 0.000 1.117 114 V CA -3.013 59.472 62.300 0.308 0.000 1.014 114 V CB 1.477 33.543 31.823 0.405 0.000 1.057 114 V HN 0.505 nan 8.190 nan 0.000 0.438 115 P HA 0.154 nan 4.420 nan 0.000 0.265 115 P C 1.117 178.560 177.300 0.239 0.000 1.187 115 P CA 0.691 63.891 63.100 0.167 0.000 0.766 115 P CB 0.546 32.322 31.700 0.126 0.000 0.820 116 T N -1.257 113.406 114.554 0.181 0.000 2.867 116 T HA -0.105 4.259 4.350 0.023 0.000 0.268 116 T C 0.544 175.350 174.700 0.176 0.000 1.057 116 T CA 0.873 63.082 62.100 0.182 0.000 1.136 116 T CB -0.495 68.444 68.868 0.117 0.000 0.874 116 T HN 0.392 nan 8.240 nan 0.000 0.466 117 E N 2.603 122.906 120.200 0.172 0.000 1.893 117 E HA 0.216 4.580 4.350 0.023 0.000 0.269 117 E C -0.729 176.015 176.600 0.239 0.000 1.129 117 E CA -0.379 56.123 56.400 0.170 0.000 0.904 117 E CB 0.096 29.901 29.700 0.176 0.000 1.077 117 E HN 0.238 nan 8.360 nan 0.000 0.407 118 N N 4.178 122.988 118.700 0.183 0.000 2.626 118 N HA 0.216 4.969 4.740 0.023 0.000 0.242 118 N C -2.795 172.719 175.510 0.007 0.000 1.005 118 N CA -2.513 50.664 53.050 0.212 0.000 0.905 118 N CB 0.999 39.599 38.487 0.190 0.000 1.128 118 N HN 0.038 nan 8.380 nan 0.000 0.512 119 P HA -0.049 nan 4.420 nan 0.000 0.257 119 P C -0.915 176.256 177.300 -0.216 0.000 1.162 119 P CA 0.721 63.751 63.100 -0.117 0.000 0.762 119 P CB 0.300 32.214 31.700 0.356 0.000 0.753 120 T N 3.136 117.293 114.554 -0.662 0.000 2.786 120 T HA 0.538 4.902 4.350 0.023 0.000 0.283 120 T C 0.356 174.496 174.700 -0.932 0.000 0.992 120 T CA -0.584 61.182 62.100 -0.557 0.000 0.954 120 T CB 1.485 70.097 68.868 -0.428 0.000 0.934 120 T HN 0.310 nan 8.240 nan 0.000 0.440 121 G N 1.220 109.518 108.800 -0.837 0.000 2.335 121 G HA2 0.478 4.451 3.960 0.023 0.000 0.314 121 G HA3 0.478 4.451 3.960 0.023 0.000 0.314 121 G C -0.248 174.354 174.900 -0.497 0.000 1.129 121 G CA -0.392 44.107 45.100 -1.002 0.000 0.912 121 G HN 0.867 nan 8.290 nan 0.000 0.443 122 C N 3.211 122.008 119.300 -0.838 0.000 2.223 122 C HA 0.457 4.931 4.460 0.023 0.000 0.324 122 C C -0.531 174.414 174.990 -0.075 0.000 1.196 122 C CA -0.961 57.742 59.018 -0.526 0.000 1.628 122 C CB -1.633 25.358 27.740 -1.248 0.000 2.229 122 C HN 0.631 nan 8.230 nan 0.000 0.486 123 Y N 2.041 122.632 120.300 0.485 0.000 2.361 123 Y HA 0.602 5.166 4.550 0.023 0.000 0.332 123 Y C 0.816 177.174 175.900 0.764 0.000 1.101 123 Y CA -0.140 58.359 58.100 0.665 0.000 1.137 123 Y CB 1.405 40.255 38.460 0.650 0.000 1.207 123 Y HN 0.693 nan 8.280 nan 0.000 0.463 124 S N 2.758 118.930 115.700 0.786 0.000 2.556 124 S HA 0.806 5.290 4.470 0.023 0.000 0.271 124 S C -1.855 172.830 174.600 0.142 0.000 1.135 124 S CA -0.819 57.627 58.200 0.410 0.000 0.858 124 S CB 2.177 65.536 63.200 0.265 0.000 1.114 124 S HN 0.583 nan 8.310 nan 0.000 0.468 125 L N 1.005 122.141 121.223 -0.146 0.000 2.493 125 L HA 0.716 5.069 4.340 0.023 0.000 0.265 125 L C -1.070 175.771 176.870 -0.049 0.000 0.954 125 L CA 0.107 54.710 54.840 -0.396 0.000 0.844 125 L CB 2.242 43.522 42.059 -1.298 0.000 1.302 125 L HN 0.886 nan 8.230 nan 0.000 0.405 126 T N 5.704 120.249 114.554 -0.015 0.000 2.767 126 T HA 0.755 5.119 4.350 0.023 0.000 0.284 126 T C -0.851 173.913 174.700 0.107 0.000 0.973 126 T CA 0.034 62.151 62.100 0.028 0.000 0.996 126 T CB 0.310 69.160 68.868 -0.029 0.000 0.927 126 T HN 0.458 nan 8.240 nan 0.000 0.456 127 F N 0.904 120.765 119.950 -0.147 0.000 2.662 127 F HA 0.723 5.264 4.527 0.023 0.000 0.312 127 F C -0.886 174.845 175.800 -0.115 0.000 1.113 127 F CA -1.820 56.096 58.000 -0.140 0.000 0.951 127 F CB 1.045 39.942 39.000 -0.173 0.000 1.344 127 F HN 0.387 nan 8.300 nan 0.000 0.462 128 N N -0.021 118.616 118.700 -0.105 0.000 2.492 128 N HA 0.694 5.448 4.740 0.023 0.000 0.289 128 N C -1.965 173.448 175.510 -0.161 0.000 1.133 128 N CA -0.435 52.501 53.050 -0.189 0.000 0.961 128 N CB 1.846 40.267 38.487 -0.109 0.000 1.186 128 N HN 0.639 nan 8.380 nan 0.000 0.493 129 V N 2.142 121.931 119.914 -0.209 0.000 2.569 129 V HA 0.252 4.385 4.120 0.023 0.000 0.301 129 V C -0.876 175.116 176.094 -0.171 0.000 1.044 129 V CA -1.012 61.168 62.300 -0.199 0.000 0.874 129 V CB 1.573 33.330 31.823 -0.111 0.000 1.002 129 V HN 0.744 nan 8.190 nan 0.000 0.424 130 D N 2.981 123.230 120.400 -0.253 0.000 2.443 130 D HA 0.023 4.677 4.640 0.023 0.000 0.239 130 D C 1.065 177.377 176.300 0.019 0.000 1.136 130 D CA 0.086 54.016 54.000 -0.116 0.000 0.879 130 D CB 1.745 42.472 40.800 -0.121 0.000 1.195 130 D HN 0.739 nan 8.370 nan 0.000 0.443 131 E N 1.481 121.702 120.200 0.035 0.000 2.160 131 E HA -0.202 4.162 4.350 0.023 0.000 0.195 131 E C 1.671 178.343 176.600 0.120 0.000 0.991 131 E CA 1.596 58.036 56.400 0.067 0.000 0.810 131 E CB -0.142 29.581 29.700 0.039 0.000 0.742 131 E HN 0.417 nan 8.360 nan 0.000 0.466 132 S N -0.999 114.784 115.700 0.138 0.000 2.419 132 S HA -0.165 4.318 4.470 0.023 0.000 0.235 132 S C 1.719 176.430 174.600 0.183 0.000 1.019 132 S CA 0.991 59.276 58.200 0.143 0.000 0.982 132 S CB -0.835 62.447 63.200 0.137 0.000 0.789 132 S HN 0.418 nan 8.310 nan 0.000 0.490 133 W N 1.433 122.704 121.300 -0.049 0.000 2.584 133 W HA 0.407 5.081 4.660 0.023 0.000 0.264 133 W C 1.895 178.508 176.519 0.157 0.000 1.264 133 W CA -0.147 57.199 57.345 0.002 0.000 1.306 133 W CB -0.342 29.158 29.460 0.066 0.000 1.110 133 W HN 0.303 nan 8.180 nan 0.000 0.606 134 L N -0.198 121.207 121.223 0.304 0.000 2.463 134 L HA -0.015 4.339 4.340 0.023 0.000 0.219 134 L C 2.463 179.420 176.870 0.146 0.000 1.088 134 L CA 0.529 55.497 54.840 0.212 0.000 0.849 134 L CB -0.702 41.451 42.059 0.157 0.000 1.012 134 L HN 0.018 nan 8.230 nan 0.000 0.468 135 Q N 1.750 121.626 119.800 0.126 0.000 2.291 135 Q HA -0.087 4.267 4.340 0.023 0.000 0.205 135 Q C 0.285 176.336 176.000 0.085 0.000 0.970 135 Q CA 0.763 56.618 55.803 0.086 0.000 0.876 135 Q CB -0.071 28.707 28.738 0.066 0.000 0.935 135 Q HN 0.650 nan 8.270 nan 0.000 0.455 136 E N -1.283 118.989 120.200 0.120 0.000 2.407 136 E HA 0.527 4.890 4.350 0.023 0.000 0.279 136 E C -0.266 176.444 176.600 0.183 0.000 1.012 136 E CA -0.750 55.718 56.400 0.113 0.000 0.800 136 E CB 1.354 31.105 29.700 0.086 0.000 1.276 136 E HN 0.157 nan 8.360 nan 0.000 0.452 137 G N 0.914 109.754 108.800 0.066 0.000 2.750 137 G HA2 -0.263 3.710 3.960 0.023 0.000 0.228 137 G HA3 -0.263 3.710 3.960 0.023 0.000 0.228 137 G C -0.806 173.989 174.900 -0.175 0.000 1.367 137 G CA 0.061 45.099 45.100 -0.104 0.000 0.871 137 G HN 0.754 nan 8.290 nan 0.000 0.560 138 Q N -0.399 119.163 119.800 -0.398 0.000 2.331 138 Q HA 0.623 4.977 4.340 0.023 0.000 0.267 138 Q C -0.891 174.949 176.000 -0.266 0.000 1.006 138 Q CA -0.456 55.211 55.803 -0.228 0.000 0.818 138 Q CB 1.386 30.029 28.738 -0.159 0.000 1.276 138 Q HN 0.593 nan 8.270 nan 0.000 0.450 139 T N 5.179 119.736 114.554 0.005 0.000 2.772 139 T HA 0.462 4.826 4.350 0.023 0.000 0.288 139 T C -0.597 174.210 174.700 0.179 0.000 0.994 139 T CA -0.614 61.589 62.100 0.170 0.000 0.951 139 T CB 0.515 69.634 68.868 0.418 0.000 0.933 139 T HN 0.637 nan 8.240 nan 0.000 0.447 140 R N 2.976 123.572 120.500 0.159 0.000 2.854 140 R HA 0.789 5.142 4.340 0.023 0.000 0.271 140 R C -1.077 175.321 176.300 0.164 0.000 0.996 140 R CA -0.991 55.203 56.100 0.156 0.000 0.961 140 R CB 1.541 31.907 30.300 0.110 0.000 1.182 140 R HN 0.559 nan 8.270 nan 0.000 0.479 141 I N 2.083 122.749 120.570 0.161 0.000 2.562 141 I HA 0.467 4.651 4.170 0.023 0.000 0.301 141 I C -1.107 175.041 176.117 0.052 0.000 1.003 141 I CA -1.337 60.009 61.300 0.076 0.000 1.127 141 I CB 1.477 39.531 38.000 0.091 0.000 1.304 141 I HN 0.619 nan 8.210 nan 0.000 0.446 142 I N 7.100 127.595 120.570 -0.127 0.000 2.447 142 I HA 0.288 4.472 4.170 0.023 0.000 0.287 142 I C -1.363 174.572 176.117 -0.302 0.000 1.023 142 I CA -0.374 60.864 61.300 -0.103 0.000 1.083 142 I CB 1.547 39.514 38.000 -0.056 0.000 1.245 142 I HN 0.393 nan 8.210 nan 0.000 0.434 143 F N 4.532 124.477 119.950 -0.008 0.000 2.308 143 F HA 0.283 4.824 4.527 0.022 0.000 0.370 143 F C 1.318 177.014 175.800 -0.173 0.000 1.100 143 F CA -0.496 57.429 58.000 -0.124 0.000 1.108 143 F CB 0.804 39.695 39.000 -0.182 0.000 1.293 143 F HN 0.452 nan 8.300 nan 0.000 0.478 144 D N 2.378 122.701 120.400 -0.127 0.000 2.264 144 D HA 0.030 4.683 4.640 0.023 0.000 0.208 144 D C 1.014 177.150 176.300 -0.275 0.000 0.966 144 D CA 0.909 54.786 54.000 -0.205 0.000 0.864 144 D CB 0.413 41.033 40.800 -0.300 0.000 0.933 144 D HN 0.630 nan 8.370 nan 0.000 0.499 145 G N -0.207 108.375 108.800 -0.363 0.000 2.552 145 G HA2 0.430 4.403 3.960 0.023 0.000 0.288 145 G HA3 0.430 4.403 3.960 0.023 0.000 0.288 145 G C -1.389 173.301 174.900 -0.351 0.000 1.358 145 G CA -0.408 44.372 45.100 -0.533 0.000 1.305 145 G HN -0.056 nan 8.290 nan 0.000 0.602 146 V N 2.656 122.542 119.914 -0.047 0.000 2.525 146 V HA 0.529 4.663 4.120 0.023 0.000 0.299 146 V C -0.783 175.390 176.094 0.131 0.000 1.034 146 V CA -1.199 61.057 62.300 -0.074 0.000 0.863 146 V CB 1.931 33.393 31.823 -0.601 0.000 0.999 146 V HN 0.678 nan 8.190 nan 0.000 0.423 147 N N 2.449 121.205 118.700 0.094 0.000 2.446 147 N HA 0.330 5.084 4.740 0.023 0.000 0.265 147 N C 0.578 176.018 175.510 -0.116 0.000 0.975 147 N CA 0.156 53.163 53.050 -0.071 0.000 0.928 147 N CB 2.192 40.447 38.487 -0.388 0.000 1.160 147 N HN 0.712 nan 8.380 nan 0.000 0.495 148 S N 1.804 117.479 115.700 -0.041 0.000 2.578 148 S HA 0.570 5.054 4.470 0.023 0.000 0.228 148 S C 0.270 174.938 174.600 0.112 0.000 1.022 148 S CA -0.013 58.211 58.200 0.040 0.000 0.967 148 S CB 0.357 63.595 63.200 0.062 0.000 0.914 148 S HN 0.629 nan 8.310 nan 0.000 0.515 149 A N 0.897 123.798 122.820 0.135 0.000 2.609 149 A HA 0.807 5.140 4.320 0.023 0.000 0.291 149 A C -1.375 176.338 177.584 0.216 0.000 1.096 149 A CA -0.883 51.215 52.037 0.103 0.000 0.684 149 A CB 0.980 20.055 19.000 0.126 0.000 1.282 149 A HN 1.150 nan 8.150 nan 0.000 0.412 150 F N -0.889 118.904 119.950 -0.261 0.000 2.744 150 F HA 0.713 5.253 4.527 0.022 0.000 0.311 150 F C -1.396 174.316 175.800 -0.146 0.000 1.144 150 F CA -0.798 57.130 58.000 -0.121 0.000 0.938 150 F CB 0.888 39.808 39.000 -0.133 0.000 1.292 150 F HN 0.629 nan 8.300 nan 0.000 0.444 151 H N 1.898 121.071 119.070 0.171 0.000 2.492 151 H HA 0.741 5.311 4.556 0.023 0.000 0.345 151 H C -1.422 173.811 175.328 -0.157 0.000 1.136 151 H CA -0.731 55.290 56.048 -0.044 0.000 1.202 151 H CB 2.484 32.261 29.762 0.026 0.000 1.524 151 H HN 0.824 nan 8.280 nan 0.000 0.506 152 L N 2.913 123.861 121.223 -0.459 0.000 2.365 152 L HA 0.430 4.784 4.340 0.023 0.000 0.273 152 L C -1.576 174.958 176.870 -0.560 0.000 1.000 152 L CA -0.485 54.147 54.840 -0.347 0.000 0.819 152 L CB 1.396 43.136 42.059 -0.531 0.000 1.284 152 L HN 0.497 nan 8.230 nan 0.000 0.418 153 W N 4.369 125.628 121.300 -0.068 0.000 2.915 153 W HA 0.544 5.218 4.660 0.023 0.000 0.337 153 W C -1.269 175.203 176.519 -0.078 0.000 1.102 153 W CA -0.788 56.511 57.345 -0.076 0.000 1.224 153 W CB 2.054 31.494 29.460 -0.033 0.000 1.416 153 W HN 0.556 nan 8.180 nan 0.000 0.503 154 C N 5.179 124.576 119.300 0.161 0.000 2.381 154 C HA 0.294 4.768 4.460 0.023 0.000 0.328 154 C C 0.270 175.395 174.990 0.225 0.000 1.190 154 C CA -0.302 58.811 59.018 0.159 0.000 1.369 154 C CB -0.799 26.986 27.740 0.075 0.000 2.029 154 C HN 0.793 nan 8.230 nan 0.000 0.448 155 N N 3.693 122.474 118.700 0.134 0.000 2.740 155 N HA -0.188 4.566 4.740 0.023 0.000 0.248 155 N C 0.978 176.548 175.510 0.100 0.000 1.062 155 N CA 1.865 54.966 53.050 0.084 0.000 0.704 155 N CB -1.296 37.245 38.487 0.089 0.000 0.968 155 N HN 1.738 nan 8.380 nan 0.000 0.547 156 G N -1.029 107.825 108.800 0.090 0.000 2.234 156 G HA2 -0.377 3.596 3.960 0.023 0.000 0.260 156 G HA3 -0.377 3.596 3.960 0.023 0.000 0.260 156 G C 0.168 175.236 174.900 0.280 0.000 0.987 156 G CA 0.684 45.834 45.100 0.084 0.000 0.625 156 G HN 0.553 nan 8.290 nan 0.000 0.532 157 R N -0.747 119.976 120.500 0.373 0.000 2.312 157 R HA 0.415 4.769 4.340 0.023 0.000 0.311 157 R C -0.009 176.609 176.300 0.531 0.000 1.004 157 R CA -0.815 55.572 56.100 0.478 0.000 0.902 157 R CB 0.877 31.464 30.300 0.478 0.000 1.073 157 R HN 0.245 nan 8.270 nan 0.000 0.457 158 W N 3.721 125.191 121.300 0.283 0.000 2.223 158 W HA 0.044 4.717 4.660 0.022 0.000 0.334 158 W C 0.062 176.479 176.519 -0.169 0.000 1.334 158 W CA 0.096 57.305 57.345 -0.227 0.000 1.246 158 W CB 0.625 29.949 29.460 -0.226 0.000 1.184 158 W HN 0.333 nan 8.180 nan 0.000 0.563 159 V N 5.041 124.192 119.914 -1.272 0.000 2.743 159 V HA 0.550 4.683 4.120 0.023 0.000 0.237 159 V C 1.011 176.121 176.094 -1.640 0.000 1.113 159 V CA 0.997 62.517 62.300 -1.301 0.000 1.141 159 V CB -0.304 30.800 31.823 -1.198 0.000 0.873 159 V HN 0.811 nan 8.190 nan 0.000 0.486 160 G N -1.781 105.854 108.800 -1.942 0.000 2.489 160 G HA2 0.486 4.459 3.960 0.023 0.000 0.305 160 G HA3 0.486 4.459 3.960 0.023 0.000 0.305 160 G C -2.451 172.012 174.900 -0.728 0.000 1.311 160 G CA -0.289 43.998 45.100 -1.355 0.000 0.813 160 G HN 0.004 nan 8.290 nan 0.000 0.480 161 Y N -0.558 119.515 120.300 -0.378 0.000 2.562 161 Y HA 0.726 5.290 4.550 0.023 0.000 0.345 161 Y C -0.047 175.677 175.900 -0.294 0.000 1.045 161 Y CA -0.066 57.789 58.100 -0.408 0.000 1.028 161 Y CB 2.341 40.722 38.460 -0.130 0.000 1.297 161 Y HN 1.239 nan 8.280 nan 0.000 0.463 162 G N 3.494 111.507 108.800 -1.311 0.000 2.742 162 G HA2 0.552 4.526 3.960 0.023 0.000 0.296 162 G HA3 0.552 4.526 3.960 0.023 0.000 0.296 162 G C -2.179 172.307 174.900 -0.689 0.000 1.436 162 G CA -0.843 43.801 45.100 -0.761 0.000 0.928 162 G HN 0.634 nan 8.290 nan 0.000 0.520 163 Q N -0.291 119.344 119.800 -0.275 0.000 2.668 163 Q HA 0.604 4.958 4.340 0.023 0.000 0.298 163 Q C -1.349 174.670 176.000 0.031 0.000 1.071 163 Q CA -0.804 54.948 55.803 -0.085 0.000 0.789 163 Q CB 2.632 31.361 28.738 -0.015 0.000 1.497 163 Q HN 0.683 nan 8.270 nan 0.000 0.460 164 D N -0.251 120.198 120.400 0.082 0.000 4.280 164 D HA -0.095 4.559 4.640 0.023 0.000 0.225 164 D C -0.580 175.790 176.300 0.116 0.000 1.273 164 D CA 0.489 54.550 54.000 0.100 0.000 0.948 164 D CB -0.537 40.306 40.800 0.071 0.000 0.545 164 D HN 0.535 nan 8.370 nan 0.000 0.247 165 S N 3.455 119.235 115.700 0.133 0.000 2.555 165 S HA -0.041 4.442 4.470 0.023 0.000 0.230 165 S C 1.530 176.268 174.600 0.229 0.000 0.978 165 S CA 0.447 58.754 58.200 0.178 0.000 0.934 165 S CB 0.277 63.542 63.200 0.109 0.000 0.766 165 S HN 0.455 nan 8.310 nan 0.000 0.533 166 R N 0.292 120.883 120.500 0.152 0.000 2.543 166 R HA 0.438 4.792 4.340 0.023 0.000 0.323 166 R C -0.347 176.007 176.300 0.091 0.000 1.002 166 R CA 0.059 56.241 56.100 0.137 0.000 1.106 166 R CB 0.119 30.525 30.300 0.175 0.000 1.280 166 R HN 0.330 nan 8.270 nan 0.000 0.549 167 L N 1.685 122.937 121.223 0.050 0.000 2.371 167 L HA 0.506 4.860 4.340 0.023 0.000 0.262 167 L C -2.376 174.478 176.870 -0.027 0.000 1.006 167 L CA -2.251 52.593 54.840 0.006 0.000 0.818 167 L CB 3.155 45.215 42.059 0.001 0.000 1.354 167 L HN -0.199 nan 8.230 nan 0.000 0.415 168 P HA 0.100 nan 4.420 nan 0.000 0.271 168 P C -0.968 176.305 177.300 -0.046 0.000 1.216 168 P CA -0.236 62.826 63.100 -0.063 0.000 0.776 168 P CB 1.299 32.929 31.700 -0.116 0.000 0.881 169 S N 1.962 117.695 115.700 0.056 0.000 2.530 169 S HA 0.288 4.772 4.470 0.023 0.000 0.322 169 S C -0.357 174.219 174.600 -0.041 0.000 1.085 169 S CA -0.532 57.671 58.200 0.005 0.000 1.096 169 S CB 0.739 64.121 63.200 0.303 0.000 0.988 169 S HN 0.384 nan 8.310 nan 0.000 0.466 170 E N 1.936 121.920 120.200 -0.360 0.000 2.207 170 E HA 0.624 4.987 4.350 0.023 0.000 0.270 170 E C -1.331 174.875 176.600 -0.656 0.000 0.927 170 E CA -0.542 55.700 56.400 -0.263 0.000 0.799 170 E CB 1.460 31.103 29.700 -0.095 0.000 1.172 170 E HN 0.410 nan 8.360 nan 0.000 0.404 171 F N 0.448 120.454 119.950 0.094 0.000 2.588 171 F HA 0.208 4.749 4.527 0.023 0.000 0.310 171 F C -0.149 175.674 175.800 0.038 0.000 1.082 171 F CA -1.066 56.951 58.000 0.029 0.000 0.929 171 F CB 1.621 40.605 39.000 -0.026 0.000 1.254 171 F HN 0.260 nan 8.300 nan 0.000 0.455 172 D N 2.544 123.071 120.400 0.212 0.000 2.295 172 D HA 0.296 4.949 4.640 0.023 0.000 0.248 172 D C 0.240 176.672 176.300 0.220 0.000 1.154 172 D CA 0.221 54.331 54.000 0.183 0.000 0.857 172 D CB 1.115 42.011 40.800 0.160 0.000 1.117 172 D HN 0.564 nan 8.370 nan 0.000 0.468 173 L N 2.617 123.982 121.223 0.236 0.000 2.693 173 L HA 0.049 4.403 4.340 0.023 0.000 0.235 173 L C 2.149 179.254 176.870 0.393 0.000 1.127 173 L CA -0.192 54.833 54.840 0.308 0.000 0.914 173 L CB 0.157 42.356 42.059 0.233 0.000 1.193 173 L HN 0.250 nan 8.230 nan 0.000 0.502 174 S N 1.461 117.335 115.700 0.290 0.000 2.372 174 S HA -0.274 4.210 4.470 0.023 0.000 0.227 174 S C 2.010 176.716 174.600 0.176 0.000 1.044 174 S CA 1.915 60.242 58.200 0.211 0.000 1.050 174 S CB -0.149 63.133 63.200 0.137 0.000 0.901 174 S HN 0.559 nan 8.310 nan 0.000 0.447 175 A N -0.650 122.261 122.820 0.152 0.000 2.238 175 A HA 0.341 4.675 4.320 0.023 0.000 0.208 175 A C 1.291 178.737 177.584 -0.230 0.000 1.177 175 A CA 0.281 52.275 52.037 -0.073 0.000 0.804 175 A CB -0.414 18.461 19.000 -0.208 0.000 0.823 175 A HN 0.474 nan 8.150 nan 0.000 0.482 176 F N -0.627 119.363 119.950 0.067 0.000 2.653 176 F HA 0.349 4.889 4.527 0.023 0.000 0.288 176 F C 0.857 176.691 175.800 0.056 0.000 1.121 176 F CA -0.135 57.903 58.000 0.063 0.000 1.384 176 F CB -0.063 38.980 39.000 0.072 0.000 1.115 176 F HN -0.021 nan 8.300 nan 0.000 0.599 177 L N 0.900 122.268 121.223 0.242 0.000 2.479 177 L HA 0.488 4.842 4.340 0.023 0.000 0.249 177 L C 0.173 177.083 176.870 0.067 0.000 1.178 177 L CA -0.683 54.239 54.840 0.136 0.000 0.811 177 L CB 0.847 43.001 42.059 0.158 0.000 1.187 177 L HN 0.044 nan 8.230 nan 0.000 0.480 178 R N 0.311 120.818 120.500 0.011 0.000 2.739 178 R HA 0.743 5.097 4.340 0.023 0.000 0.271 178 R C -1.331 174.951 176.300 -0.030 0.000 1.010 178 R CA -0.885 55.212 56.100 -0.004 0.000 0.897 178 R CB 1.488 31.775 30.300 -0.021 0.000 1.236 178 R HN 0.554 nan 8.270 nan 0.000 0.466 179 A N 1.400 124.210 122.820 -0.016 0.000 2.520 179 A HA 0.513 4.847 4.320 0.023 0.000 0.245 179 A C 1.018 178.564 177.584 -0.063 0.000 1.072 179 A CA 1.172 53.191 52.037 -0.029 0.000 0.761 179 A CB -0.712 18.283 19.000 -0.009 0.000 1.004 179 A HN 1.461 nan 8.150 nan 0.000 0.499 180 G N 1.686 110.430 108.800 -0.093 0.000 2.501 180 G HA2 -0.077 3.896 3.960 0.023 0.000 0.213 180 G HA3 -0.077 3.896 3.960 0.023 0.000 0.213 180 G C -0.496 174.296 174.900 -0.180 0.000 1.158 180 G CA -0.218 44.815 45.100 -0.112 0.000 1.079 180 G HN 0.837 nan 8.290 nan 0.000 0.586 181 E N 2.057 122.155 120.200 -0.171 0.000 2.316 181 E HA 0.407 4.770 4.350 0.023 0.000 0.275 181 E C 0.028 176.447 176.600 -0.302 0.000 1.029 181 E CA -0.035 56.227 56.400 -0.231 0.000 0.871 181 E CB 0.736 30.346 29.700 -0.150 0.000 1.022 181 E HN 0.456 nan 8.360 nan 0.000 0.418 182 N N 2.111 120.500 118.700 -0.519 0.000 2.357 182 N HA 0.393 5.147 4.740 0.023 0.000 0.284 182 N C -0.754 174.483 175.510 -0.454 0.000 1.236 182 N CA -0.636 52.082 53.050 -0.552 0.000 0.774 182 N CB 2.800 40.775 38.487 -0.854 0.000 1.534 182 N HN 0.238 nan 8.380 nan 0.000 0.478 183 R N 1.493 121.898 120.500 -0.158 0.000 2.575 183 R HA 0.511 4.864 4.340 0.023 0.000 0.293 183 R C -1.354 175.016 176.300 0.117 0.000 0.983 183 R CA -0.482 55.620 56.100 0.004 0.000 0.887 183 R CB 1.143 31.412 30.300 -0.052 0.000 1.184 183 R HN 0.481 nan 8.270 nan 0.000 0.445 184 L N 2.856 124.194 121.223 0.192 0.000 2.334 184 L HA 0.777 5.131 4.340 0.023 0.000 0.275 184 L C -0.359 176.583 176.870 0.120 0.000 1.036 184 L CA -0.910 54.047 54.840 0.196 0.000 0.807 184 L CB 2.021 44.213 42.059 0.220 0.000 1.231 184 L HN 0.768 nan 8.230 nan 0.000 0.438 185 A N 2.753 125.657 122.820 0.140 0.000 2.357 185 A HA 0.740 5.074 4.320 0.023 0.000 0.295 185 A C -1.136 176.740 177.584 0.486 0.000 1.121 185 A CA -0.441 51.578 52.037 -0.030 0.000 0.742 185 A CB 1.439 19.945 19.000 -0.824 0.000 1.181 185 A HN 0.360 nan 8.150 nan 0.000 0.454 186 V N 3.395 123.785 119.914 0.793 0.000 2.407 186 V HA 0.458 4.592 4.120 0.023 0.000 0.291 186 V C -0.049 176.603 176.094 0.931 0.000 1.018 186 V CA -0.273 62.503 62.300 0.794 0.000 0.842 186 V CB 1.524 33.649 31.823 0.503 0.000 0.996 186 V HN 0.959 nan 8.190 nan 0.000 0.426 187 M N 6.125 126.276 119.600 0.918 0.000 2.080 187 M HA 0.486 4.980 4.480 0.023 0.000 0.350 187 M C -1.239 175.319 176.300 0.430 0.000 1.143 187 M CA -0.364 55.284 55.300 0.580 0.000 1.064 187 M CB 0.841 33.818 32.600 0.629 0.000 1.429 187 M HN 0.478 nan 8.290 nan 0.000 0.418 188 V N 6.655 126.794 119.914 0.376 0.000 2.406 188 V HA 0.294 4.428 4.120 0.023 0.000 0.272 188 V C 0.035 176.292 176.094 0.271 0.000 1.043 188 V CA -0.486 62.035 62.300 0.368 0.000 0.915 188 V CB 1.017 33.159 31.823 0.532 0.000 0.988 188 V HN 0.769 nan 8.190 nan 0.000 0.466 189 L N 5.256 126.571 121.223 0.152 0.000 2.289 189 L HA 0.496 4.850 4.340 0.023 0.000 0.285 189 L C 1.543 178.431 176.870 0.030 0.000 1.049 189 L CA -0.340 54.510 54.840 0.016 0.000 0.804 189 L CB 1.152 43.116 42.059 -0.158 0.000 1.195 189 L HN 0.616 nan 8.230 nan 0.000 0.428 190 R N 2.921 123.391 120.500 -0.050 0.000 2.073 190 R HA -0.061 4.293 4.340 0.023 0.000 0.234 190 R C -0.330 175.667 176.300 -0.506 0.000 1.134 190 R CA 1.349 57.185 56.100 -0.441 0.000 0.952 190 R CB 0.193 30.056 30.300 -0.727 0.000 0.850 190 R HN 0.565 nan 8.270 nan 0.000 0.433 191 W N 0.136 121.499 121.300 0.105 0.000 2.627 191 W HA 0.427 5.101 4.660 0.022 0.000 0.339 191 W C -0.303 176.332 176.519 0.193 0.000 1.058 191 W CA -0.827 56.588 57.345 0.117 0.000 1.223 191 W CB 1.751 31.282 29.460 0.118 0.000 1.389 191 W HN 0.040 nan 8.180 nan 0.000 0.541 192 S N -1.110 114.885 115.700 0.492 0.000 2.672 192 S HA 0.182 4.666 4.470 0.023 0.000 0.271 192 S C 0.032 174.897 174.600 0.441 0.000 1.171 192 S CA -0.455 58.047 58.200 0.503 0.000 0.817 192 S CB 1.096 64.565 63.200 0.449 0.000 1.150 192 S HN 0.624 nan 8.310 nan 0.000 0.478 193 D N 0.329 120.997 120.400 0.447 0.000 2.309 193 D HA 0.081 4.735 4.640 0.023 0.000 0.212 193 D C 1.716 178.350 176.300 0.556 0.000 0.968 193 D CA 1.170 55.488 54.000 0.530 0.000 0.882 193 D CB -0.651 40.329 40.800 0.301 0.000 0.918 193 D HN 0.703 nan 8.370 nan 0.000 0.503 194 G N 0.074 109.112 108.800 0.397 0.000 2.443 194 G HA2 -0.225 3.748 3.960 0.023 0.000 0.219 194 G HA3 -0.225 3.748 3.960 0.023 0.000 0.219 194 G C 1.681 176.770 174.900 0.316 0.000 1.131 194 G CA 0.554 45.858 45.100 0.339 0.000 0.775 194 G HN 0.300 nan 8.290 nan 0.000 0.547 195 S N 0.014 115.886 115.700 0.286 0.000 2.440 195 S HA -0.109 4.375 4.470 0.023 0.000 0.238 195 S C 1.852 176.539 174.600 0.146 0.000 1.010 195 S CA 0.712 59.044 58.200 0.220 0.000 0.972 195 S CB -0.365 62.972 63.200 0.228 0.000 0.774 195 S HN 0.522 nan 8.310 nan 0.000 0.501 196 Y N 1.048 121.463 120.300 0.191 0.000 2.509 196 Y HA 0.145 4.709 4.550 0.023 0.000 0.293 196 Y C 1.532 177.518 175.900 0.144 0.000 1.133 196 Y CA 0.552 58.682 58.100 0.050 0.000 1.283 196 Y CB -0.199 38.149 38.460 -0.186 0.000 1.001 196 Y HN 0.214 nan 8.280 nan 0.000 0.555 197 L N -0.400 121.005 121.223 0.304 0.000 2.728 197 L HA 0.185 4.539 4.340 0.023 0.000 0.238 197 L C -0.080 176.929 176.870 0.232 0.000 1.143 197 L CA 0.314 55.294 54.840 0.234 0.000 0.937 197 L CB 0.111 42.311 42.059 0.236 0.000 1.225 197 L HN 0.102 nan 8.230 nan 0.000 0.507 198 E N 0.109 120.460 120.200 0.252 0.000 3.896 198 E HA 0.070 4.434 4.350 0.023 0.000 0.217 198 E C -0.610 176.110 176.600 0.201 0.000 1.150 198 E CA -0.059 56.478 56.400 0.229 0.000 1.338 198 E CB 0.571 30.397 29.700 0.211 0.000 1.242 198 E HN 0.020 nan 8.360 nan 0.000 0.435 199 D N 1.297 121.779 120.400 0.138 0.000 2.706 199 D HA 0.036 4.690 4.640 0.023 0.000 0.236 199 D C -0.273 176.036 176.300 0.015 0.000 1.231 199 D CA -0.204 53.774 54.000 -0.036 0.000 0.828 199 D CB 0.182 40.732 40.800 -0.418 0.000 1.015 199 D HN 0.041 nan 8.370 nan 0.000 0.484 200 Q N 0.552 120.449 119.800 0.161 0.000 2.361 200 Q HA 0.104 4.457 4.340 0.023 0.000 0.276 200 Q C -0.109 176.020 176.000 0.216 0.000 1.022 200 Q CA 0.094 56.060 55.803 0.272 0.000 0.898 200 Q CB 0.660 29.707 28.738 0.516 0.000 1.246 200 Q HN 0.086 nan 8.270 nan 0.000 0.410 201 D N 3.513 124.058 120.400 0.242 0.000 2.489 201 D HA 0.134 4.788 4.640 0.023 0.000 0.237 201 D C -0.716 175.738 176.300 0.256 0.000 1.212 201 D CA 0.170 54.296 54.000 0.211 0.000 1.058 201 D CB -0.432 40.492 40.800 0.207 0.000 1.098 201 D HN 0.506 nan 8.370 nan 0.000 0.509 202 M N 0.059 119.775 119.600 0.194 0.000 3.084 202 M HA 0.440 4.933 4.480 0.023 0.000 0.273 202 M C -1.279 175.109 176.300 0.148 0.000 1.242 202 M CA -1.180 54.157 55.300 0.061 0.000 0.819 202 M CB 1.098 33.637 32.600 -0.101 0.000 1.625 202 M HN -0.095 nan 8.290 nan 0.000 0.493 203 W N 1.999 123.356 121.300 0.094 0.000 2.210 203 W HA 0.340 5.014 4.660 0.023 0.000 0.330 203 W C 0.171 176.705 176.519 0.026 0.000 1.334 203 W CA -0.014 57.388 57.345 0.094 0.000 1.227 203 W CB 0.445 29.899 29.460 -0.009 0.000 1.178 203 W HN 0.286 nan 8.180 nan 0.000 0.560 204 R N 4.963 125.642 120.500 0.297 0.000 2.204 204 R HA 0.416 4.770 4.340 0.023 0.000 0.341 204 R C -0.183 176.127 176.300 0.017 0.000 1.035 204 R CA -0.234 55.962 56.100 0.161 0.000 0.887 204 R CB 0.166 30.632 30.300 0.277 0.000 1.114 204 R HN 0.558 nan 8.270 nan 0.000 0.473 205 M N 0.238 119.736 119.600 -0.171 0.000 2.792 205 M HA 0.541 5.035 4.480 0.023 0.000 0.290 205 M C 0.031 175.975 176.300 -0.593 0.000 1.155 205 M CA -0.841 54.231 55.300 -0.379 0.000 0.781 205 M CB 2.241 34.615 32.600 -0.376 0.000 1.741 205 M HN 0.626 nan 8.290 nan 0.000 0.473 206 S N -1.267 113.944 115.700 -0.815 0.000 2.636 206 S HA 0.943 5.427 4.470 0.023 0.000 0.268 206 S C -0.567 173.514 174.600 -0.865 0.000 1.159 206 S CA -0.188 57.454 58.200 -0.930 0.000 0.815 206 S CB 1.627 64.105 63.200 -1.203 0.000 1.130 206 S HN 1.535 nan 8.310 nan 0.000 0.471 207 G N -0.012 108.528 108.800 -0.435 0.000 2.373 207 G HA2 0.120 4.093 3.960 0.023 0.000 0.634 207 G HA3 0.120 4.093 3.960 0.023 0.000 0.634 207 G C -1.218 173.684 174.900 0.003 0.000 1.267 207 G CA -0.574 44.589 45.100 0.104 0.000 1.008 207 G HN 1.251 nan 8.290 nan 0.000 0.497 208 I N 2.106 122.535 120.570 -0.235 0.000 2.241 208 I HA 0.251 4.435 4.170 0.023 0.000 0.294 208 I C 1.277 177.289 176.117 -0.174 0.000 1.145 208 I CA -0.247 60.833 61.300 -0.367 0.000 1.261 208 I CB -0.234 37.284 38.000 -0.804 0.000 1.475 208 I HN 0.496 nan 8.210 nan 0.000 0.533 209 F N 3.824 123.620 119.950 -0.256 0.000 2.765 209 F HA 0.420 4.960 4.527 0.022 0.000 0.302 209 F C 0.717 176.432 175.800 -0.143 0.000 1.111 209 F CA -0.531 57.353 58.000 -0.193 0.000 1.359 209 F CB -0.221 38.670 39.000 -0.181 0.000 1.097 209 F HN 0.130 nan 8.300 nan 0.000 0.577 210 R N 0.400 120.500 120.500 -0.667 0.000 2.930 210 R HA 0.239 4.592 4.340 0.023 0.000 0.257 210 R C -0.565 175.528 176.300 -0.346 0.000 1.107 210 R CA -1.120 54.663 56.100 -0.529 0.000 0.999 210 R CB 0.800 30.667 30.300 -0.722 0.000 1.209 210 R HN -0.025 nan 8.270 nan 0.000 0.486 211 D N 0.758 120.999 120.400 -0.264 0.000 2.443 211 D HA 0.079 4.733 4.640 0.023 0.000 0.234 211 D C -0.498 175.658 176.300 -0.241 0.000 1.172 211 D CA 0.565 54.444 54.000 -0.202 0.000 0.878 211 D CB 0.775 41.492 40.800 -0.139 0.000 1.204 211 D HN -0.022 nan 8.370 nan 0.000 0.453 212 V N 1.030 120.810 119.914 -0.224 0.000 2.531 212 V HA 0.522 4.655 4.120 0.023 0.000 0.301 212 V C -0.016 175.956 176.094 -0.204 0.000 1.034 212 V CA -0.511 61.595 62.300 -0.323 0.000 0.865 212 V CB 1.717 33.364 31.823 -0.294 0.000 0.995 212 V HN 0.789 nan 8.190 nan 0.000 0.424 213 S N 4.738 120.298 115.700 -0.233 0.000 2.625 213 S HA 0.817 5.301 4.470 0.023 0.000 0.271 213 S C -1.452 173.100 174.600 -0.079 0.000 1.161 213 S CA -0.934 57.196 58.200 -0.117 0.000 0.820 213 S CB 1.797 64.965 63.200 -0.054 0.000 1.137 213 S HN 0.456 nan 8.310 nan 0.000 0.470 214 L N 1.302 122.542 121.223 0.027 0.000 2.346 214 L HA 0.706 5.059 4.340 0.023 0.000 0.276 214 L C -1.377 175.680 176.870 0.311 0.000 1.006 214 L CA -0.935 54.009 54.840 0.174 0.000 0.817 214 L CB 1.725 43.917 42.059 0.223 0.000 1.272 214 L HN 0.713 nan 8.230 nan 0.000 0.421 215 L N 3.318 124.698 121.223 0.261 0.000 2.356 215 L HA 0.462 4.816 4.340 0.023 0.000 0.277 215 L C -0.738 176.136 176.870 0.007 0.000 0.996 215 L CA -0.131 54.791 54.840 0.136 0.000 0.822 215 L CB 1.399 43.504 42.059 0.076 0.000 1.256 215 L HN 0.486 nan 8.230 nan 0.000 0.413 216 H N 5.374 124.195 119.070 -0.415 0.000 2.504 216 H HA 0.499 5.068 4.556 0.023 0.000 0.322 216 H C -1.329 173.761 175.328 -0.397 0.000 1.055 216 H CA -0.525 55.151 56.048 -0.621 0.000 1.231 216 H CB 1.121 29.965 29.762 -1.529 0.000 1.417 216 H HN 0.558 nan 8.280 nan 0.000 0.472 217 K N 5.616 125.627 120.400 -0.649 0.000 2.328 217 K HA 0.384 4.718 4.320 0.023 0.000 0.246 217 K C -2.737 173.568 176.600 -0.493 0.000 0.955 217 K CA -2.018 54.019 56.287 -0.417 0.000 0.817 217 K CB 2.208 34.533 32.500 -0.291 0.000 1.208 217 K HN 0.475 nan 8.250 nan 0.000 0.432 218 P HA 0.166 nan 4.420 nan 0.000 0.274 218 P C 0.496 177.707 177.300 -0.148 0.000 1.246 218 P CA -0.216 62.794 63.100 -0.150 0.000 0.795 218 P CB 0.518 32.183 31.700 -0.059 0.000 1.006 219 T N -1.185 113.313 114.554 -0.094 0.000 2.708 219 T HA -0.066 4.297 4.350 0.023 0.000 0.266 219 T C 0.583 175.238 174.700 -0.075 0.000 1.037 219 T CA 1.598 63.652 62.100 -0.076 0.000 1.146 219 T CB -0.762 68.082 68.868 -0.040 0.000 0.865 219 T HN 0.432 nan 8.240 nan 0.000 0.435 220 T N 3.933 118.452 114.554 -0.059 0.000 2.739 220 T HA 0.402 4.766 4.350 0.023 0.000 0.298 220 T C -0.126 174.529 174.700 -0.075 0.000 0.929 220 T CA -0.532 61.529 62.100 -0.064 0.000 1.014 220 T CB 0.325 69.178 68.868 -0.025 0.000 0.914 220 T HN 0.498 nan 8.240 nan 0.000 0.509 221 Q N 2.429 122.165 119.800 -0.107 0.000 2.495 221 Q HA 0.649 5.003 4.340 0.023 0.000 0.287 221 Q C -1.169 174.750 176.000 -0.135 0.000 1.078 221 Q CA -1.189 54.533 55.803 -0.136 0.000 0.793 221 Q CB 1.487 30.117 28.738 -0.179 0.000 1.459 221 Q HN 0.454 nan 8.270 nan 0.000 0.422 222 I N 2.414 122.872 120.570 -0.187 0.000 2.396 222 I HA 0.057 4.241 4.170 0.023 0.000 0.289 222 I C 0.598 176.590 176.117 -0.207 0.000 1.056 222 I CA -0.133 61.078 61.300 -0.148 0.000 1.365 222 I CB 1.208 39.080 38.000 -0.213 0.000 1.407 222 I HN 0.888 nan 8.210 nan 0.000 0.509 223 S N 2.506 118.203 115.700 -0.004 0.000 2.524 223 S HA 0.234 4.718 4.470 0.023 0.000 0.215 223 S C 0.037 174.860 174.600 0.371 0.000 0.986 223 S CA -0.313 57.964 58.200 0.128 0.000 0.911 223 S CB 0.161 63.393 63.200 0.053 0.000 0.805 223 S HN 0.732 nan 8.310 nan 0.000 0.501 224 D N -0.239 120.394 120.400 0.388 0.000 2.842 224 D HA 0.448 5.101 4.640 0.023 0.000 0.248 224 D C -1.946 174.525 176.300 0.285 0.000 1.140 224 D CA -0.627 53.574 54.000 0.335 0.000 0.728 224 D CB 1.057 41.915 40.800 0.097 0.000 1.595 224 D HN 0.165 nan 8.370 nan 0.000 0.450 225 F N 0.279 120.215 119.950 -0.024 0.000 2.635 225 F HA 0.660 5.201 4.527 0.023 0.000 0.314 225 F C -1.631 174.132 175.800 -0.062 0.000 1.119 225 F CA -0.777 57.154 58.000 -0.116 0.000 1.000 225 F CB 1.418 40.437 39.000 0.031 0.000 1.278 225 F HN 0.144 nan 8.300 nan 0.000 0.446 226 H N 2.363 121.464 119.070 0.052 0.000 2.538 226 H HA 0.732 5.302 4.556 0.023 0.000 0.353 226 H C -1.060 174.280 175.328 0.019 0.000 1.109 226 H CA -1.315 54.700 56.048 -0.055 0.000 1.192 226 H CB 2.336 32.065 29.762 -0.055 0.000 1.555 226 H HN 0.665 nan 8.280 nan 0.000 0.518 227 V N 1.888 121.863 119.914 0.102 0.000 2.417 227 V HA 0.692 4.826 4.120 0.023 0.000 0.291 227 V C 0.171 176.241 176.094 -0.040 0.000 1.024 227 V CA -0.739 61.586 62.300 0.040 0.000 0.861 227 V CB 1.276 33.118 31.823 0.032 0.000 0.985 227 V HN 0.970 nan 8.190 nan 0.000 0.436 228 A N 3.347 126.126 122.820 -0.068 0.000 2.401 228 A HA 0.940 5.274 4.320 0.023 0.000 0.310 228 A C -0.107 177.362 177.584 -0.192 0.000 1.075 228 A CA -0.543 51.431 52.037 -0.104 0.000 0.746 228 A CB 1.941 20.904 19.000 -0.062 0.000 1.277 228 A HN 0.920 nan 8.150 nan 0.000 0.425 229 T N 0.055 114.466 114.554 -0.238 0.000 2.847 229 T HA 0.718 5.081 4.350 0.023 0.000 0.291 229 T C -0.467 173.961 174.700 -0.452 0.000 0.998 229 T CA -0.650 61.199 62.100 -0.419 0.000 0.967 229 T CB 0.890 69.397 68.868 -0.601 0.000 0.954 229 T HN 0.677 nan 8.240 nan 0.000 0.441 230 R N 1.919 122.113 120.500 -0.510 0.000 2.732 230 R HA 0.823 5.176 4.340 0.023 0.000 0.278 230 R C -1.047 174.886 176.300 -0.612 0.000 0.976 230 R CA -0.717 55.169 56.100 -0.357 0.000 0.963 230 R CB 1.366 31.577 30.300 -0.148 0.000 1.150 230 R HN 0.563 nan 8.270 nan 0.000 0.478 231 F N 0.001 119.929 119.950 -0.036 0.000 2.640 231 F HA 0.393 4.933 4.527 0.020 0.000 0.324 231 F C 0.439 176.105 175.800 -0.224 0.000 1.077 231 F CA -1.224 56.697 58.000 -0.132 0.000 0.965 231 F CB 0.835 39.676 39.000 -0.265 0.000 1.351 231 F HN 0.514 nan 8.300 nan 0.000 0.487 232 N N -0.129 118.554 118.700 -0.028 0.000 2.405 232 N HA 0.082 4.836 4.740 0.023 0.000 0.269 232 N C 0.354 175.727 175.510 -0.228 0.000 1.249 232 N CA -0.146 52.851 53.050 -0.089 0.000 0.974 232 N CB 0.182 38.646 38.487 -0.040 0.000 1.204 232 N HN 0.686 nan 8.380 nan 0.000 0.565 233 D N -1.271 119.040 120.400 -0.149 0.000 2.182 233 D HA -0.238 4.415 4.640 0.023 0.000 0.201 233 D C 0.402 176.617 176.300 -0.142 0.000 0.986 233 D CA 1.560 55.468 54.000 -0.152 0.000 0.847 233 D CB -0.472 40.301 40.800 -0.045 0.000 0.942 233 D HN 0.729 nan 8.370 nan 0.000 0.467 234 D N -1.590 118.775 120.400 -0.058 0.000 2.402 234 D HA 0.010 4.663 4.640 0.023 0.000 0.216 234 D C 0.102 176.556 176.300 0.257 0.000 1.128 234 D CA -0.894 53.179 54.000 0.123 0.000 0.833 234 D CB -0.964 39.901 40.800 0.110 0.000 0.971 234 D HN 0.221 nan 8.370 nan 0.000 0.503 235 F N 0.352 120.345 119.950 0.071 0.000 3.034 235 F HA -0.294 4.246 4.527 0.022 0.000 0.286 235 F C 1.654 177.522 175.800 0.113 0.000 0.804 235 F CA 0.824 58.873 58.000 0.082 0.000 1.161 235 F CB -2.503 36.446 39.000 -0.086 0.000 1.317 235 F HN 0.213 nan 8.300 nan 0.000 0.453 236 S N -1.021 114.782 115.700 0.172 0.000 2.528 236 S HA 0.230 4.714 4.470 0.023 0.000 0.219 236 S C 0.647 175.303 174.600 0.093 0.000 0.985 236 S CA 0.027 58.300 58.200 0.122 0.000 0.914 236 S CB 0.338 63.587 63.200 0.081 0.000 0.776 236 S HN 0.452 nan 8.310 nan 0.000 0.526 237 R N 0.310 120.873 120.500 0.105 0.000 2.621 237 R HA 0.783 5.137 4.340 0.023 0.000 0.284 237 R C -1.309 175.038 176.300 0.077 0.000 0.998 237 R CA -0.348 55.787 56.100 0.058 0.000 0.895 237 R CB 2.195 32.506 30.300 0.018 0.000 1.195 237 R HN 0.240 nan 8.270 nan 0.000 0.450 238 A N 1.863 124.683 122.820 -0.001 0.000 2.469 238 A HA 0.782 5.116 4.320 0.023 0.000 0.299 238 A C -1.202 176.326 177.584 -0.095 0.000 1.098 238 A CA -0.705 51.272 52.037 -0.100 0.000 0.737 238 A CB 2.100 21.052 19.000 -0.079 0.000 1.312 238 A HN 0.347 nan 8.150 nan 0.000 0.414 239 V N 1.487 121.313 119.914 -0.147 0.000 2.483 239 V HA 0.427 4.561 4.120 0.023 0.000 0.297 239 V C -0.662 175.370 176.094 -0.103 0.000 1.027 239 V CA -0.307 61.937 62.300 -0.095 0.000 0.855 239 V CB 1.399 33.163 31.823 -0.098 0.000 0.995 239 V HN 0.794 nan 8.190 nan 0.000 0.424 240 L N 4.633 125.831 121.223 -0.042 0.000 2.272 240 L HA 0.615 4.969 4.340 0.023 0.000 0.289 240 L C 0.017 176.845 176.870 -0.069 0.000 1.032 240 L CA 0.002 54.792 54.840 -0.084 0.000 0.810 240 L CB 1.105 43.147 42.059 -0.028 0.000 1.205 240 L HN 0.788 nan 8.230 nan 0.000 0.422 241 E N 4.599 124.751 120.200 -0.079 0.000 2.158 241 E HA 0.645 5.009 4.350 0.023 0.000 0.271 241 E C -1.410 175.183 176.600 -0.013 0.000 0.911 241 E CA -0.773 55.601 56.400 -0.042 0.000 0.767 241 E CB 1.667 31.342 29.700 -0.042 0.000 1.120 241 E HN 0.710 nan 8.360 nan 0.000 0.405 242 A N 4.737 127.562 122.820 0.008 0.000 2.311 242 A HA 0.294 4.628 4.320 0.023 0.000 0.306 242 A C -0.681 176.928 177.584 0.041 0.000 1.189 242 A CA -0.673 51.394 52.037 0.050 0.000 0.791 242 A CB 1.092 20.128 19.000 0.059 0.000 1.172 242 A HN 0.745 nan 8.150 nan 0.000 0.481 243 E N 2.595 122.827 120.200 0.053 0.000 2.174 243 E HA 0.533 4.897 4.350 0.023 0.000 0.282 243 E C -1.299 175.302 176.600 0.000 0.000 0.992 243 E CA -0.353 56.052 56.400 0.009 0.000 0.803 243 E CB 1.124 30.820 29.700 -0.006 0.000 1.090 243 E HN 0.388 nan 8.360 nan 0.000 0.396 244 V N 4.761 124.694 119.914 0.031 0.000 2.495 244 V HA 0.295 4.428 4.120 0.023 0.000 0.298 244 V C -0.350 175.835 176.094 0.152 0.000 1.031 244 V CA -0.785 61.572 62.300 0.095 0.000 0.871 244 V CB 1.676 33.546 31.823 0.079 0.000 0.988 244 V HN 0.745 nan 8.190 nan 0.000 0.432 245 Q N 3.964 123.831 119.800 0.112 0.000 2.345 245 Q HA 0.842 5.196 4.340 0.023 0.000 0.268 245 Q C -0.816 175.206 176.000 0.037 0.000 1.054 245 Q CA -0.862 54.977 55.803 0.060 0.000 0.835 245 Q CB 2.643 31.362 28.738 -0.031 0.000 1.339 245 Q HN 0.817 nan 8.270 nan 0.000 0.447 246 M N -0.886 118.630 119.600 -0.139 0.000 2.619 246 M HA 0.728 5.222 4.480 0.023 0.000 0.297 246 M C -1.565 174.599 176.300 -0.227 0.000 1.229 246 M CA -0.548 54.608 55.300 -0.239 0.000 0.860 246 M CB 1.623 33.877 32.600 -0.578 0.000 1.741 246 M HN 0.516 nan 8.290 nan 0.000 0.462 247 C N 1.121 120.316 119.300 -0.174 0.000 2.634 247 C HA 1.046 5.519 4.460 0.023 0.000 0.313 247 C C 0.540 175.449 174.990 -0.136 0.000 1.198 247 C CA 0.560 59.500 59.018 -0.130 0.000 1.605 247 C CB 1.007 28.702 27.740 -0.076 0.000 2.196 247 C HN 1.454 nan 8.230 nan 0.000 0.486 248 G N 1.836 110.568 108.800 -0.113 0.000 2.384 248 G HA2 0.055 4.028 3.960 0.023 0.000 0.668 248 G HA3 0.055 4.028 3.960 0.023 0.000 0.668 248 G C -1.084 173.749 174.900 -0.111 0.000 1.280 248 G CA -0.593 44.449 45.100 -0.097 0.000 0.992 248 G HN 0.941 nan 8.290 nan 0.000 0.512 249 E N -0.329 119.817 120.200 -0.089 0.000 2.316 249 E HA 0.422 4.786 4.350 0.023 0.000 0.275 249 E C 0.410 176.927 176.600 -0.139 0.000 1.029 249 E CA -0.495 55.848 56.400 -0.094 0.000 0.871 249 E CB 0.306 29.970 29.700 -0.060 0.000 1.022 249 E HN 0.461 nan 8.360 nan 0.000 0.418 250 L N 5.173 126.305 121.223 -0.151 0.000 2.367 250 L HA 0.313 4.666 4.340 0.023 0.000 0.275 250 L C 0.350 177.105 176.870 -0.192 0.000 1.129 250 L CA -0.261 54.471 54.840 -0.180 0.000 0.839 250 L CB 0.416 42.386 42.059 -0.147 0.000 1.133 250 L HN 0.433 nan 8.230 nan 0.000 0.453 251 R N 1.676 122.007 120.500 -0.282 0.000 2.744 251 R HA 0.233 4.587 4.340 0.023 0.000 0.279 251 R C 0.002 176.074 176.300 -0.380 0.000 0.977 251 R CA -0.817 55.004 56.100 -0.465 0.000 0.906 251 R CB 1.477 31.119 30.300 -1.097 0.000 1.197 251 R HN 0.509 nan 8.270 nan 0.000 0.463 252 D N 1.084 121.329 120.400 -0.258 0.000 2.264 252 D HA -0.127 4.527 4.640 0.023 0.000 0.208 252 D C 1.337 177.608 176.300 -0.049 0.000 0.966 252 D CA 1.417 55.358 54.000 -0.099 0.000 0.864 252 D CB 0.250 41.037 40.800 -0.021 0.000 0.933 252 D HN 0.558 nan 8.370 nan 0.000 0.499 253 Y N -0.064 120.250 120.300 0.023 0.000 2.511 253 Y HA 0.275 4.839 4.550 0.023 0.000 0.279 253 Y C 0.870 176.773 175.900 0.005 0.000 1.157 253 Y CA -0.501 57.608 58.100 0.015 0.000 1.300 253 Y CB -0.774 37.698 38.460 0.019 0.000 1.052 253 Y HN -0.212 nan 8.280 nan 0.000 0.529 254 L N 2.750 123.934 121.223 -0.064 0.000 2.439 254 L HA 0.302 4.656 4.340 0.023 0.000 0.269 254 L C 0.239 177.071 176.870 -0.065 0.000 1.179 254 L CA -0.012 54.844 54.840 0.027 0.000 0.828 254 L CB 0.497 42.601 42.059 0.075 0.000 1.106 254 L HN 0.198 nan 8.230 nan 0.000 0.467 255 R N 1.798 122.152 120.500 -0.244 0.000 2.739 255 R HA 0.673 5.026 4.340 0.023 0.000 0.271 255 R C -1.609 174.315 176.300 -0.627 0.000 1.010 255 R CA -0.786 55.011 56.100 -0.504 0.000 0.897 255 R CB 2.282 32.179 30.300 -0.672 0.000 1.236 255 R HN 0.274 nan 8.270 nan 0.000 0.466 256 V N 1.125 120.712 119.914 -0.544 0.000 2.577 256 V HA 0.436 4.569 4.120 0.023 0.000 0.303 256 V C -0.481 175.514 176.094 -0.165 0.000 1.042 256 V CA -0.570 61.512 62.300 -0.364 0.000 0.872 256 V CB 2.240 33.785 31.823 -0.463 0.000 0.998 256 V HN 0.731 nan 8.190 nan 0.000 0.423 257 T N 4.269 118.832 114.554 0.015 0.000 2.807 257 T HA 0.647 5.010 4.350 0.023 0.000 0.279 257 T C -0.579 174.135 174.700 0.023 0.000 0.993 257 T CA -0.413 61.730 62.100 0.071 0.000 0.970 257 T CB 1.771 70.748 68.868 0.183 0.000 0.950 257 T HN 0.336 nan 8.240 nan 0.000 0.441 258 V N 3.727 123.641 119.914 0.000 0.000 2.448 258 V HA 0.686 4.820 4.120 0.023 0.000 0.295 258 V C -0.101 176.002 176.094 0.014 0.000 1.025 258 V CA -0.781 61.520 62.300 0.003 0.000 0.859 258 V CB 1.713 33.528 31.823 -0.014 0.000 0.988 258 V HN 1.058 nan 8.190 nan 0.000 0.431 259 S N 5.128 120.862 115.700 0.057 0.000 2.526 259 S HA 0.849 5.333 4.470 0.023 0.000 0.293 259 S C -1.120 173.510 174.600 0.050 0.000 1.092 259 S CA -0.769 57.437 58.200 0.010 0.000 0.980 259 S CB 2.163 65.406 63.200 0.071 0.000 1.048 259 S HN 0.547 nan 8.310 nan 0.000 0.483 260 L N 2.347 123.507 121.223 -0.106 0.000 2.322 260 L HA 0.782 5.135 4.340 0.023 0.000 0.281 260 L C -1.889 174.919 176.870 -0.103 0.000 1.014 260 L CA -0.367 54.494 54.840 0.035 0.000 0.815 260 L CB 0.729 42.820 42.059 0.053 0.000 1.247 260 L HN 0.878 nan 8.230 nan 0.000 0.421 261 W N 3.638 125.047 121.300 0.183 0.000 2.632 261 W HA 0.596 5.270 4.660 0.023 0.000 0.328 261 W C -0.630 175.998 176.519 0.181 0.000 1.044 261 W CA -0.529 56.903 57.345 0.146 0.000 1.225 261 W CB 1.499 30.994 29.460 0.058 0.000 1.396 261 W HN 0.397 nan 8.180 nan 0.000 0.499 262 Q N 2.535 122.502 119.800 0.279 0.000 2.456 262 Q HA 0.540 4.893 4.340 0.023 0.000 0.252 262 Q C 0.509 176.537 176.000 0.046 0.000 1.042 262 Q CA 0.395 56.189 55.803 -0.015 0.000 0.766 262 Q CB 0.663 29.350 28.738 -0.086 0.000 1.196 262 Q HN 0.760 nan 8.270 nan 0.000 0.504 263 G N 2.959 111.783 108.800 0.040 0.000 2.536 263 G HA2 -0.357 3.617 3.960 0.023 0.000 0.280 263 G HA3 -0.357 3.617 3.960 0.023 0.000 0.280 263 G C 0.481 175.453 174.900 0.120 0.000 1.152 263 G CA 0.249 45.374 45.100 0.042 0.000 0.970 263 G HN 0.592 nan 8.290 nan 0.000 0.549 264 E N 0.829 121.097 120.200 0.115 0.000 2.474 264 E HA 0.222 4.585 4.350 0.023 0.000 0.195 264 E C 0.242 177.049 176.600 0.344 0.000 1.039 264 E CA 0.484 56.982 56.400 0.162 0.000 0.881 264 E CB 0.065 29.805 29.700 0.066 0.000 0.970 264 E HN 0.406 nan 8.360 nan 0.000 0.486 265 T N 0.955 115.679 114.554 0.284 0.000 2.806 265 T HA 0.111 4.474 4.350 0.023 0.000 0.290 265 T C -0.239 174.514 174.700 0.089 0.000 0.966 265 T CA -0.305 61.906 62.100 0.185 0.000 1.060 265 T CB 1.575 70.484 68.868 0.068 0.000 0.927 265 T HN 0.072 nan 8.240 nan 0.000 0.485 266 Q N 3.194 122.812 119.800 -0.302 0.000 2.295 266 Q HA 0.250 4.604 4.340 0.023 0.000 0.259 266 Q C 0.399 176.132 176.000 -0.444 0.000 0.976 266 Q CA -0.378 54.841 55.803 -0.973 0.000 0.923 266 Q CB 0.747 28.657 28.738 -1.380 0.000 1.185 266 Q HN 0.549 nan 8.270 nan 0.000 0.410 267 V N 3.064 122.785 119.914 -0.323 0.000 2.500 267 V HA 0.192 4.326 4.120 0.023 0.000 0.243 267 V C 0.437 176.431 176.094 -0.167 0.000 1.039 267 V CA 1.401 63.618 62.300 -0.138 0.000 1.053 267 V CB 0.146 31.982 31.823 0.021 0.000 0.695 267 V HN 0.813 nan 8.190 nan 0.000 0.463 268 A N -1.244 121.446 122.820 -0.217 0.000 2.612 268 A HA 0.776 5.110 4.320 0.023 0.000 0.293 268 A C -0.795 176.677 177.584 -0.186 0.000 1.075 268 A CA -0.032 51.906 52.037 -0.166 0.000 0.680 268 A CB 1.993 20.933 19.000 -0.099 0.000 1.279 268 A HN 0.091 nan 8.150 nan 0.000 0.411 269 S N -0.757 114.865 115.700 -0.131 0.000 2.533 269 S HA 0.796 5.279 4.470 0.023 0.000 0.271 269 S C -0.575 173.990 174.600 -0.059 0.000 1.143 269 S CA 0.223 58.365 58.200 -0.097 0.000 0.891 269 S CB 1.665 64.800 63.200 -0.109 0.000 1.105 269 S HN 2.273 nan 8.310 nan 0.000 0.468 270 G N 1.892 110.668 108.800 -0.038 0.000 2.719 270 G HA2 0.631 4.605 3.960 0.023 0.000 0.298 270 G HA3 0.631 4.605 3.960 0.023 0.000 0.298 270 G C -1.274 173.613 174.900 -0.023 0.000 1.411 270 G CA -0.411 44.669 45.100 -0.033 0.000 0.991 270 G HN 0.707 nan 8.290 nan 0.000 0.509 271 T N -0.127 114.415 114.554 -0.021 0.000 2.907 271 T HA 0.896 5.259 4.350 0.023 0.000 0.292 271 T C -0.306 174.358 174.700 -0.061 0.000 1.043 271 T CA -0.016 62.073 62.100 -0.018 0.000 1.003 271 T CB 1.900 70.793 68.868 0.042 0.000 1.084 271 T HN 1.701 nan 8.240 nan 0.000 0.483 272 A N 2.941 125.689 122.820 -0.120 0.000 2.590 272 A HA 0.798 5.131 4.320 0.023 0.000 0.294 272 A C -3.138 174.302 177.584 -0.239 0.000 1.046 272 A CA -1.336 50.615 52.037 -0.142 0.000 0.684 272 A CB 1.049 19.973 19.000 -0.127 0.000 1.279 272 A HN 0.539 nan 8.150 nan 0.000 0.415 273 P HA 0.570 nan 4.420 nan 0.000 0.279 273 P C -0.520 176.633 177.300 -0.245 0.000 1.276 273 P CA -0.257 62.720 63.100 -0.204 0.000 0.801 273 P CB 0.415 32.069 31.700 -0.076 0.000 1.127 274 F N -0.420 119.491 119.950 -0.065 0.000 2.444 274 F HA 0.466 5.006 4.527 0.022 0.000 0.331 274 F C 1.489 177.272 175.800 -0.028 0.000 1.167 274 F CA 1.524 59.496 58.000 -0.047 0.000 1.262 274 F CB -0.014 38.953 39.000 -0.056 0.000 1.196 274 F HN 0.611 nan 8.300 nan 0.000 0.583 275 G N 1.223 110.158 108.800 0.226 0.000 2.951 275 G HA2 0.378 4.351 3.960 0.023 0.000 0.508 275 G HA3 0.378 4.351 3.960 0.023 0.000 0.508 275 G C -0.459 174.500 174.900 0.099 0.000 1.203 275 G CA -0.732 44.446 45.100 0.129 0.000 1.209 275 G HN 1.034 nan 8.290 nan 0.000 0.552 276 G N 0.677 109.554 108.800 0.128 0.000 2.557 276 G HA2 0.736 4.709 3.960 0.023 0.000 0.292 276 G HA3 0.736 4.709 3.960 0.023 0.000 0.292 276 G C 0.457 175.404 174.900 0.078 0.000 1.237 276 G CA 0.023 45.189 45.100 0.110 0.000 0.978 276 G HN 1.147 nan 8.290 nan 0.000 0.498 277 E N -0.995 119.245 120.200 0.066 0.000 2.409 277 E HA 0.168 4.532 4.350 0.023 0.000 0.257 277 E C -0.232 176.392 176.600 0.041 0.000 1.150 277 E CA -0.538 55.888 56.400 0.043 0.000 0.942 277 E CB 0.814 30.534 29.700 0.035 0.000 0.979 277 E HN 0.292 nan 8.360 nan 0.000 0.447 278 I N 1.887 122.469 120.570 0.019 0.000 2.683 278 I HA -0.120 4.064 4.170 0.023 0.000 0.286 278 I C 0.925 177.047 176.117 0.009 0.000 1.175 278 I CA -0.084 61.217 61.300 0.003 0.000 1.429 278 I CB 0.348 38.346 38.000 -0.004 0.000 1.371 278 I HN 0.598 nan 8.210 nan 0.000 0.569 279 I N 3.971 124.537 120.570 -0.007 0.000 2.729 279 I HA 0.074 4.258 4.170 0.023 0.000 0.256 279 I C 0.554 176.667 176.117 -0.007 0.000 1.115 279 I CA 0.999 62.303 61.300 0.007 0.000 1.446 279 I CB -0.867 37.133 38.000 0.001 0.000 1.176 279 I HN 0.680 nan 8.210 nan 0.000 0.446 280 D N -1.283 119.099 120.400 -0.030 0.000 2.921 280 D HA 0.129 4.782 4.640 0.023 0.000 0.329 280 D C 0.356 176.637 176.300 -0.031 0.000 1.293 280 D CA -0.446 53.539 54.000 -0.025 0.000 0.964 280 D CB 0.475 41.260 40.800 -0.026 0.000 1.435 280 D HN -0.270 nan 8.370 nan 0.000 0.548 281 E N -1.001 119.184 120.200 -0.026 0.000 2.267 281 E HA -0.060 4.304 4.350 0.023 0.000 0.197 281 E C 1.336 177.916 176.600 -0.033 0.000 0.998 281 E CA 0.963 57.348 56.400 -0.025 0.000 0.830 281 E CB -0.039 29.650 29.700 -0.019 0.000 0.751 281 E HN 0.201 nan 8.360 nan 0.000 0.491 282 R N -0.504 119.968 120.500 -0.047 0.000 2.334 282 R HA 0.302 4.655 4.340 0.023 0.000 0.216 282 R C 0.860 177.116 176.300 -0.073 0.000 0.905 282 R CA 0.724 56.789 56.100 -0.058 0.000 1.064 282 R CB 0.635 30.894 30.300 -0.067 0.000 1.046 282 R HN 0.214 nan 8.270 nan 0.000 0.508 283 G N -0.794 107.961 108.800 -0.074 0.000 2.341 283 G HA2 -0.058 3.915 3.960 0.023 0.000 0.196 283 G HA3 -0.058 3.915 3.960 0.023 0.000 0.196 283 G C -0.271 174.565 174.900 -0.106 0.000 1.231 283 G CA -0.607 44.447 45.100 -0.076 0.000 1.155 283 G HN 0.452 nan 8.290 nan 0.000 0.529 284 G N -2.013 106.718 108.800 -0.114 0.000 3.176 284 G HA2 0.637 4.610 3.960 0.023 0.000 0.272 284 G HA3 0.637 4.610 3.960 0.023 0.000 0.272 284 G C -1.630 173.141 174.900 -0.215 0.000 1.349 284 G CA -0.706 44.318 45.100 -0.127 0.000 0.953 284 G HN 0.763 nan 8.290 nan 0.000 0.559 285 Y N 1.044 121.354 120.300 0.016 0.000 2.477 285 Y HA 0.449 5.011 4.550 0.022 0.000 0.349 285 Y C 1.397 177.313 175.900 0.026 0.000 0.977 285 Y CA 0.114 58.224 58.100 0.017 0.000 1.214 285 Y CB 1.648 40.123 38.460 0.025 0.000 1.124 285 Y HN 0.531 nan 8.280 nan 0.000 0.521 286 A N 1.785 124.669 122.820 0.106 0.000 2.119 286 A HA -0.124 4.210 4.320 0.023 0.000 0.217 286 A C 1.394 179.023 177.584 0.075 0.000 1.153 286 A CA 1.340 53.422 52.037 0.076 0.000 0.692 286 A CB -0.250 18.759 19.000 0.015 0.000 0.799 286 A HN 0.770 nan 8.150 nan 0.000 0.458 287 D N -0.898 119.536 120.400 0.057 0.000 2.358 287 D HA 0.146 4.799 4.640 0.023 0.000 0.224 287 D C 0.443 176.729 176.300 -0.024 0.000 1.123 287 D CA -0.062 53.864 54.000 -0.123 0.000 0.833 287 D CB -0.047 40.676 40.800 -0.128 0.000 0.946 287 D HN 0.367 nan 8.370 nan 0.000 0.505 288 R N -0.849 119.794 120.500 0.238 0.000 2.808 288 R HA 0.739 5.092 4.340 0.023 0.000 0.272 288 R C -1.663 174.832 176.300 0.325 0.000 0.995 288 R CA -1.140 55.133 56.100 0.288 0.000 0.917 288 R CB 3.052 33.408 30.300 0.093 0.000 1.217 288 R HN -0.015 nan 8.270 nan 0.000 0.471 289 V N 0.263 120.287 119.914 0.183 0.000 3.077 289 V HA 0.511 4.645 4.120 0.023 0.000 0.299 289 V C -1.602 174.486 176.094 -0.009 0.000 1.276 289 V CA -0.261 62.055 62.300 0.026 0.000 0.993 289 V CB 2.744 34.458 31.823 -0.182 0.000 1.076 289 V HN 0.797 nan 8.190 nan 0.000 0.434 290 T N 7.384 121.928 114.554 -0.017 0.000 2.809 290 T HA 0.594 4.958 4.350 0.023 0.000 0.284 290 T C -0.985 173.695 174.700 -0.033 0.000 0.992 290 T CA -0.396 61.695 62.100 -0.015 0.000 0.957 290 T CB 1.029 69.898 68.868 0.002 0.000 0.942 290 T HN 0.470 nan 8.240 nan 0.000 0.439 291 L N 3.873 125.075 121.223 -0.035 0.000 2.295 291 L HA 0.556 4.909 4.340 0.023 0.000 0.285 291 L C 0.479 177.332 176.870 -0.029 0.000 1.035 291 L CA -0.344 54.472 54.840 -0.040 0.000 0.806 291 L CB 1.215 43.247 42.059 -0.045 0.000 1.214 291 L HN 0.524 nan 8.230 nan 0.000 0.426 292 R N 4.401 124.882 120.500 -0.032 0.000 2.393 292 R HA 0.716 5.070 4.340 0.023 0.000 0.315 292 R C -1.066 175.214 176.300 -0.035 0.000 0.952 292 R CA -0.684 55.396 56.100 -0.033 0.000 0.842 292 R CB 2.059 32.339 30.300 -0.033 0.000 1.163 292 R HN 0.477 nan 8.270 nan 0.000 0.450 293 L N 2.621 123.824 121.223 -0.033 0.000 2.346 293 L HA 0.448 4.802 4.340 0.023 0.000 0.276 293 L C -0.247 176.603 176.870 -0.034 0.000 1.006 293 L CA -1.131 53.689 54.840 -0.034 0.000 0.817 293 L CB 1.810 43.852 42.059 -0.028 0.000 1.272 293 L HN 0.459 nan 8.230 nan 0.000 0.421 294 N N 2.036 120.710 118.700 -0.042 0.000 2.499 294 N HA 0.430 5.183 4.740 0.023 0.000 0.281 294 N C -0.930 174.544 175.510 -0.062 0.000 1.098 294 N CA -0.209 52.813 53.050 -0.047 0.000 0.979 294 N CB 2.498 40.959 38.487 -0.043 0.000 1.121 294 N HN 0.192 nan 8.380 nan 0.000 0.466 295 V N 2.331 122.196 119.914 -0.081 0.000 2.482 295 V HA 0.210 4.344 4.120 0.023 0.000 0.295 295 V C -0.292 175.731 176.094 -0.118 0.000 1.026 295 V CA -0.872 61.344 62.300 -0.140 0.000 0.856 295 V CB 1.934 33.578 31.823 -0.298 0.000 1.001 295 V HN 0.464 nan 8.190 nan 0.000 0.424 296 E N 2.907 123.059 120.200 -0.081 0.000 2.249 296 E HA 0.341 4.705 4.350 0.023 0.000 0.280 296 E C 0.152 176.731 176.600 -0.034 0.000 1.016 296 E CA -0.552 55.823 56.400 -0.042 0.000 0.830 296 E CB 0.743 30.428 29.700 -0.024 0.000 1.081 296 E HN 0.750 nan 8.360 nan 0.000 0.395 297 N N 1.108 119.808 118.700 0.000 0.000 2.705 297 N HA -0.144 4.610 4.740 0.023 0.000 0.255 297 N C -2.413 173.100 175.510 0.006 0.000 1.008 297 N CA 0.073 53.136 53.050 0.023 0.000 0.742 297 N CB -0.994 37.508 38.487 0.024 0.000 0.906 297 N HN 0.365 nan 8.380 nan 0.000 0.541 298 P HA 0.006 nan 4.420 nan 0.000 0.269 298 P C -0.557 176.775 177.300 0.054 0.000 1.209 298 P CA 0.300 63.309 63.100 -0.153 0.000 0.776 298 P CB 0.764 32.125 31.700 -0.564 0.000 0.876 299 K N 2.779 123.301 120.400 0.203 0.000 2.349 299 K HA 0.288 4.622 4.320 0.023 0.000 0.288 299 K C 0.236 176.996 176.600 0.266 0.000 1.058 299 K CA -0.410 55.986 56.287 0.182 0.000 0.953 299 K CB 0.214 32.787 32.500 0.121 0.000 0.997 299 K HN 0.421 nan 8.250 nan 0.000 0.477 300 L N 2.583 123.891 121.223 0.141 0.000 2.395 300 L HA 0.283 4.637 4.340 0.023 0.000 0.269 300 L C 0.014 176.957 176.870 0.121 0.000 1.133 300 L CA -0.767 54.154 54.840 0.135 0.000 0.812 300 L CB 0.357 42.337 42.059 -0.131 0.000 1.125 300 L HN 0.615 nan 8.230 nan 0.000 0.452 301 W N 3.367 124.695 121.300 0.047 0.000 2.376 301 W HA 0.491 5.164 4.660 0.022 0.000 0.322 301 W C 0.032 176.500 176.519 -0.086 0.000 1.160 301 W CA 0.170 57.529 57.345 0.024 0.000 1.218 301 W CB 1.290 30.818 29.460 0.114 0.000 1.205 301 W HN 0.639 nan 8.180 nan 0.000 0.559 302 S N 2.870 117.958 115.700 -1.020 0.000 2.611 302 S HA 0.597 5.081 4.470 0.023 0.000 0.268 302 S C 0.015 173.835 174.600 -1.301 0.000 1.156 302 S CA -0.366 57.301 58.200 -0.889 0.000 0.817 302 S CB 0.942 63.888 63.200 -0.424 0.000 1.122 302 S HN 1.062 nan 8.310 nan 0.000 0.466 303 A N 0.587 122.835 122.820 -0.954 0.000 1.969 303 A HA 0.074 4.408 4.320 0.023 0.000 0.218 303 A C 1.786 179.055 177.584 -0.524 0.000 1.169 303 A CA 1.521 53.005 52.037 -0.921 0.000 0.635 303 A CB -1.014 17.301 19.000 -1.143 0.000 0.810 303 A HN 0.873 nan 8.150 nan 0.000 0.445 304 E N -0.635 119.393 120.200 -0.287 0.000 2.028 304 E HA -0.019 4.344 4.350 0.023 0.000 0.191 304 E C -0.152 176.312 176.600 -0.227 0.000 0.988 304 E CA 0.844 57.133 56.400 -0.185 0.000 0.799 304 E CB -0.055 29.673 29.700 0.047 0.000 0.755 304 E HN 0.595 nan 8.360 nan 0.000 0.447 305 I N 1.812 122.230 120.570 -0.253 0.000 2.583 305 I HA 0.155 4.339 4.170 0.023 0.000 0.276 305 I C -2.418 173.484 176.117 -0.358 0.000 1.089 305 I CA -1.876 59.292 61.300 -0.220 0.000 1.103 305 I CB 2.077 40.003 38.000 -0.124 0.000 1.209 305 I HN -0.176 nan 8.210 nan 0.000 0.484 306 P HA 0.039 nan 4.420 nan 0.000 0.231 306 P C -0.544 176.749 177.300 -0.013 0.000 1.756 306 P CA -0.177 62.638 63.100 -0.476 0.000 0.990 306 P CB -0.257 31.310 31.700 -0.222 0.000 1.973 307 N N 1.751 120.467 118.700 0.027 0.000 2.454 307 N HA 0.118 4.872 4.740 0.023 0.000 0.260 307 N C 0.109 175.841 175.510 0.370 0.000 1.218 307 N CA 0.496 53.638 53.050 0.154 0.000 0.904 307 N CB 0.736 39.306 38.487 0.137 0.000 1.065 307 N HN 0.341 nan 8.380 nan 0.000 0.462 308 L N 2.396 123.762 121.223 0.238 0.000 2.388 308 L HA 0.461 4.814 4.340 0.023 0.000 0.264 308 L C -0.963 176.018 176.870 0.185 0.000 0.998 308 L CA -0.836 54.188 54.840 0.305 0.000 0.817 308 L CB 1.394 43.597 42.059 0.241 0.000 1.338 308 L HN 0.395 nan 8.230 nan 0.000 0.414 309 Y N 0.524 120.971 120.300 0.245 0.000 2.587 309 Y HA 0.666 5.230 4.550 0.023 0.000 0.337 309 Y C -0.204 175.817 175.900 0.203 0.000 1.065 309 Y CA -0.844 57.404 58.100 0.246 0.000 1.126 309 Y CB 1.832 40.502 38.460 0.349 0.000 1.279 309 Y HN 0.382 nan 8.280 nan 0.000 0.489 310 R N 1.181 121.916 120.500 0.391 0.000 2.480 310 R HA 0.813 5.166 4.340 0.023 0.000 0.306 310 R C -1.646 174.846 176.300 0.320 0.000 0.958 310 R CA -0.554 55.710 56.100 0.273 0.000 0.861 310 R CB 1.067 31.464 30.300 0.161 0.000 1.171 310 R HN 0.743 nan 8.270 nan 0.000 0.445 311 A N 3.831 126.788 122.820 0.228 0.000 2.304 311 A HA 0.654 4.987 4.320 0.023 0.000 0.323 311 A C -1.061 176.600 177.584 0.128 0.000 1.195 311 A CA -0.649 51.508 52.037 0.200 0.000 0.826 311 A CB 1.310 20.400 19.000 0.150 0.000 1.184 311 A HN 0.485 nan 8.150 nan 0.000 0.496 312 V N 3.023 123.016 119.914 0.132 0.000 2.495 312 V HA 0.430 4.563 4.120 0.023 0.000 0.298 312 V C -0.433 175.651 176.094 -0.016 0.000 1.031 312 V CA -0.514 61.802 62.300 0.027 0.000 0.871 312 V CB 1.696 33.542 31.823 0.038 0.000 0.988 312 V HN 0.616 nan 8.190 nan 0.000 0.432 313 V N 4.718 124.556 119.914 -0.126 0.000 2.313 313 V HA 0.410 4.544 4.120 0.023 0.000 0.278 313 V C -0.095 175.938 176.094 -0.102 0.000 1.017 313 V CA -0.571 61.628 62.300 -0.168 0.000 0.823 313 V CB 1.223 32.798 31.823 -0.412 0.000 1.010 313 V HN 0.936 nan 8.190 nan 0.000 0.443 314 E N 3.998 124.189 120.200 -0.015 0.000 2.175 314 E HA 0.536 4.899 4.350 0.023 0.000 0.278 314 E C -0.958 175.695 176.600 0.088 0.000 0.969 314 E CA -0.874 55.559 56.400 0.054 0.000 0.796 314 E CB 2.606 32.376 29.700 0.116 0.000 1.104 314 E HN 0.450 nan 8.360 nan 0.000 0.395 315 L N 4.181 125.446 121.223 0.070 0.000 2.282 315 L HA 0.429 4.783 4.340 0.023 0.000 0.288 315 L C -0.961 175.988 176.870 0.131 0.000 1.033 315 L CA 0.071 54.941 54.840 0.050 0.000 0.807 315 L CB 0.275 42.363 42.059 0.049 0.000 1.209 315 L HN 0.707 nan 8.230 nan 0.000 0.423 316 H N 0.167 119.264 119.070 0.045 0.000 2.918 316 H HA 0.748 5.317 4.556 0.023 0.000 0.303 316 H C -0.893 174.496 175.328 0.101 0.000 1.380 316 H CA -0.464 55.618 56.048 0.057 0.000 1.134 316 H CB 0.681 30.459 29.762 0.027 0.000 1.842 316 H HN 0.548 nan 8.280 nan 0.000 0.533 317 T N -2.084 112.630 114.554 0.268 0.000 2.927 317 T HA 0.560 4.924 4.350 0.023 0.000 0.281 317 T C 1.408 176.271 174.700 0.273 0.000 0.998 317 T CA -0.377 61.873 62.100 0.249 0.000 1.019 317 T CB 1.515 70.466 68.868 0.139 0.000 1.061 317 T HN 0.962 nan 8.240 nan 0.000 0.518 318 A N 1.267 124.208 122.820 0.202 0.000 1.978 318 A HA -0.085 4.249 4.320 0.023 0.000 0.220 318 A C 1.696 179.353 177.584 0.122 0.000 1.170 318 A CA 1.868 54.001 52.037 0.160 0.000 0.636 318 A CB -1.249 17.826 19.000 0.126 0.000 0.810 318 A HN 1.018 nan 8.150 nan 0.000 0.448 319 D N -2.302 118.143 120.400 0.075 0.000 2.338 319 D HA 0.322 4.976 4.640 0.023 0.000 0.239 319 D C 1.030 177.347 176.300 0.028 0.000 1.095 319 D CA 0.809 54.827 54.000 0.030 0.000 0.888 319 D CB -0.571 40.220 40.800 -0.015 0.000 0.899 319 D HN 0.715 nan 8.370 nan 0.000 0.525 320 G N -0.788 108.049 108.800 0.063 0.000 2.132 320 G HA2 -0.250 3.724 3.960 0.023 0.000 0.234 320 G HA3 -0.250 3.724 3.960 0.023 0.000 0.234 320 G C 0.165 175.055 174.900 -0.016 0.000 0.989 320 G CA 0.200 45.291 45.100 -0.016 0.000 0.676 320 G HN 0.409 nan 8.290 nan 0.000 0.522 321 T N 1.430 116.013 114.554 0.047 0.000 2.738 321 T HA 0.507 4.870 4.350 0.023 0.000 0.298 321 T C 0.345 175.098 174.700 0.087 0.000 0.962 321 T CA -0.377 61.747 62.100 0.040 0.000 0.972 321 T CB 1.741 70.624 68.868 0.024 0.000 0.928 321 T HN 0.543 nan 8.240 nan 0.000 0.474 322 L N 4.829 126.082 121.223 0.050 0.000 2.453 322 L HA 0.301 4.655 4.340 0.023 0.000 0.272 322 L C 0.712 177.627 176.870 0.075 0.000 1.182 322 L CA 0.498 55.383 54.840 0.075 0.000 0.858 322 L CB 0.034 42.109 42.059 0.027 0.000 1.120 322 L HN 0.695 nan 8.230 nan 0.000 0.474 323 I N 2.444 123.068 120.570 0.091 0.000 2.947 323 I HA 0.179 4.362 4.170 0.023 0.000 0.263 323 I C 0.242 176.379 176.117 0.033 0.000 1.130 323 I CA 0.349 61.685 61.300 0.061 0.000 1.448 323 I CB 0.221 38.262 38.000 0.068 0.000 1.222 323 I HN 0.817 nan 8.210 nan 0.000 0.453 324 E N 0.414 120.632 120.200 0.031 0.000 2.409 324 E HA 0.691 5.054 4.350 0.023 0.000 0.280 324 E C -1.653 174.958 176.600 0.018 0.000 1.079 324 E CA -1.036 55.371 56.400 0.012 0.000 0.840 324 E CB 1.760 31.431 29.700 -0.048 0.000 1.309 324 E HN -0.022 nan 8.360 nan 0.000 0.447 325 A N 1.460 124.312 122.820 0.053 0.000 2.486 325 A HA 0.694 5.028 4.320 0.023 0.000 0.300 325 A C -1.092 176.579 177.584 0.146 0.000 1.048 325 A CA -0.739 51.332 52.037 0.057 0.000 0.696 325 A CB 1.773 20.805 19.000 0.053 0.000 1.278 325 A HN 0.512 nan 8.150 nan 0.000 0.405 326 E N -0.225 119.988 120.200 0.021 0.000 2.339 326 E HA 0.869 5.232 4.350 0.023 0.000 0.262 326 E C -0.414 176.209 176.600 0.038 0.000 0.934 326 E CA -0.463 56.000 56.400 0.105 0.000 0.802 326 E CB 2.400 32.011 29.700 -0.148 0.000 1.275 326 E HN 1.293 nan 8.360 nan 0.000 0.427 327 A N -0.222 122.734 122.820 0.226 0.000 2.566 327 A HA 0.706 5.039 4.320 0.023 0.000 0.290 327 A C -1.237 176.555 177.584 0.347 0.000 1.071 327 A CA -0.302 51.826 52.037 0.150 0.000 0.658 327 A CB 0.676 19.684 19.000 0.013 0.000 1.285 327 A HN 0.901 nan 8.150 nan 0.000 0.427 328 C N -0.644 118.818 119.300 0.270 0.000 3.312 328 C HA 0.792 5.266 4.460 0.023 0.000 0.332 328 C C -1.512 173.582 174.990 0.173 0.000 1.340 328 C CA -0.911 58.258 59.018 0.252 0.000 1.265 328 C CB 1.033 28.937 27.740 0.273 0.000 1.563 328 C HN 0.835 nan 8.230 nan 0.000 0.471 329 D N 1.066 121.550 120.400 0.139 0.000 2.302 329 D HA 0.539 5.193 4.640 0.023 0.000 0.248 329 D C -0.389 175.966 176.300 0.092 0.000 1.094 329 D CA 0.169 54.250 54.000 0.134 0.000 0.897 329 D CB 1.885 42.767 40.800 0.136 0.000 1.200 329 D HN 0.554 nan 8.370 nan 0.000 0.429 330 V N 1.173 121.167 119.914 0.133 0.000 2.448 330 V HA 0.621 4.754 4.120 0.023 0.000 0.295 330 V C 0.580 176.736 176.094 0.104 0.000 1.025 330 V CA -0.843 61.483 62.300 0.044 0.000 0.859 330 V CB 1.953 33.785 31.823 0.016 0.000 0.988 330 V HN 0.609 nan 8.190 nan 0.000 0.431 331 G N 3.320 112.081 108.800 -0.065 0.000 2.437 331 G HA2 0.597 4.571 3.960 0.023 0.000 0.315 331 G HA3 0.597 4.571 3.960 0.023 0.000 0.315 331 G C -0.926 174.034 174.900 0.101 0.000 1.210 331 G CA -0.386 44.743 45.100 0.049 0.000 0.943 331 G HN 0.445 nan 8.290 nan 0.000 0.471 332 F N 4.225 124.361 119.950 0.311 0.000 2.468 332 F HA 0.414 4.954 4.527 0.022 0.000 0.356 332 F C 1.150 177.213 175.800 0.439 0.000 1.167 332 F CA -0.107 58.144 58.000 0.418 0.000 1.135 332 F CB 0.558 39.812 39.000 0.422 0.000 1.197 332 F HN 0.444 nan 8.300 nan 0.000 0.569 333 R N 2.958 123.776 120.500 0.530 0.000 2.663 333 R HA 0.423 4.777 4.340 0.023 0.000 0.267 333 R C -1.851 174.624 176.300 0.291 0.000 1.038 333 R CA -0.780 55.468 56.100 0.246 0.000 0.886 333 R CB 1.589 32.071 30.300 0.304 0.000 1.249 333 R HN 0.574 nan 8.270 nan 0.000 0.463 334 E N 2.033 122.309 120.200 0.126 0.000 2.199 334 E HA 0.522 4.885 4.350 0.023 0.000 0.269 334 E C -1.282 175.400 176.600 0.136 0.000 0.899 334 E CA -0.961 55.588 56.400 0.248 0.000 0.772 334 E CB 2.199 32.122 29.700 0.371 0.000 1.155 334 E HN 0.397 nan 8.360 nan 0.000 0.408 335 V N 5.045 125.033 119.914 0.122 0.000 2.483 335 V HA 0.593 4.726 4.120 0.023 0.000 0.297 335 V C -0.451 175.687 176.094 0.073 0.000 1.027 335 V CA -0.708 61.632 62.300 0.067 0.000 0.855 335 V CB 1.321 33.162 31.823 0.029 0.000 0.995 335 V HN 0.771 nan 8.190 nan 0.000 0.424 336 R N 4.085 124.623 120.500 0.064 0.000 2.663 336 R HA 0.709 5.063 4.340 0.023 0.000 0.267 336 R C -2.066 174.263 176.300 0.048 0.000 1.038 336 R CA -0.918 55.221 56.100 0.065 0.000 0.886 336 R CB 1.802 32.153 30.300 0.086 0.000 1.249 336 R HN 0.507 nan 8.270 nan 0.000 0.463 337 I N 1.547 122.145 120.570 0.046 0.000 2.321 337 I HA 0.335 4.519 4.170 0.023 0.000 0.291 337 I C -0.372 175.768 176.117 0.039 0.000 0.998 337 I CA -0.375 60.947 61.300 0.036 0.000 1.227 337 I CB 1.676 39.699 38.000 0.038 0.000 1.368 337 I HN 0.656 nan 8.210 nan 0.000 0.466 338 E N 6.090 126.309 120.200 0.032 0.000 2.275 338 E HA 0.191 4.554 4.350 0.023 0.000 0.270 338 E C -0.325 176.289 176.600 0.024 0.000 0.882 338 E CA -0.644 55.776 56.400 0.033 0.000 0.758 338 E CB 1.215 30.940 29.700 0.042 0.000 1.195 338 E HN 0.583 nan 8.360 nan 0.000 0.419 339 N N 3.182 121.896 118.700 0.023 0.000 2.716 339 N HA -0.254 4.499 4.740 0.023 0.000 0.250 339 N C 0.444 175.961 175.510 0.011 0.000 1.033 339 N CA 2.067 55.127 53.050 0.016 0.000 0.727 339 N CB -1.200 37.295 38.487 0.014 0.000 0.950 339 N HN 0.946 nan 8.380 nan 0.000 0.541 340 G N -2.229 106.578 108.800 0.012 0.000 2.179 340 G HA2 -0.276 3.698 3.960 0.023 0.000 0.260 340 G HA3 -0.276 3.698 3.960 0.023 0.000 0.260 340 G C -0.103 174.794 174.900 -0.005 0.000 0.977 340 G CA 0.474 45.578 45.100 0.006 0.000 0.641 340 G HN 0.482 nan 8.290 nan 0.000 0.533 341 L N 0.193 121.413 121.223 -0.005 0.000 2.362 341 L HA 0.668 5.021 4.340 0.023 0.000 0.275 341 L C 0.117 176.977 176.870 -0.016 0.000 0.998 341 L CA -1.310 53.519 54.840 -0.018 0.000 0.820 341 L CB 1.870 43.918 42.059 -0.019 0.000 1.270 341 L HN 0.088 nan 8.230 nan 0.000 0.415 342 L N 4.852 126.054 121.223 -0.035 0.000 2.369 342 L HA 0.388 4.742 4.340 0.023 0.000 0.279 342 L C -0.765 176.082 176.870 -0.039 0.000 1.108 342 L CA 0.505 55.325 54.840 -0.034 0.000 0.852 342 L CB 0.144 42.169 42.059 -0.057 0.000 1.169 342 L HN 0.394 nan 8.230 nan 0.000 0.452 343 L N 5.812 127.028 121.223 -0.011 0.000 2.334 343 L HA 0.558 4.912 4.340 0.023 0.000 0.276 343 L C -0.802 176.073 176.870 0.008 0.000 1.014 343 L CA -0.857 53.983 54.840 0.001 0.000 0.815 343 L CB 1.892 43.973 42.059 0.036 0.000 1.268 343 L HN 0.525 nan 8.230 nan 0.000 0.428 344 L N 3.487 124.722 121.223 0.020 0.000 2.349 344 L HA 0.498 4.852 4.340 0.023 0.000 0.278 344 L C -0.212 176.662 176.870 0.006 0.000 0.996 344 L CA -0.027 54.832 54.840 0.032 0.000 0.825 344 L CB 1.062 43.153 42.059 0.054 0.000 1.243 344 L HN 0.579 nan 8.230 nan 0.000 0.412 345 N N 4.246 122.818 118.700 -0.213 0.000 2.714 345 N HA -0.222 4.532 4.740 0.023 0.000 0.252 345 N C 0.976 176.118 175.510 -0.612 0.000 1.014 345 N CA 1.332 53.883 53.050 -0.831 0.000 0.735 345 N CB -1.232 36.690 38.487 -0.941 0.000 0.924 345 N HN 1.196 nan 8.380 nan 0.000 0.540 346 G N -1.934 106.822 108.800 -0.073 0.000 2.189 346 G HA2 -0.366 3.608 3.960 0.023 0.000 0.267 346 G HA3 -0.366 3.608 3.960 0.023 0.000 0.267 346 G C -0.042 174.891 174.900 0.055 0.000 0.975 346 G CA 0.966 46.132 45.100 0.110 0.000 0.644 346 G HN 0.430 nan 8.290 nan 0.000 0.537 347 K N 0.838 121.259 120.400 0.037 0.000 2.207 347 K HA 0.487 4.821 4.320 0.023 0.000 0.255 347 K C -2.675 173.900 176.600 -0.041 0.000 0.941 347 K CA -2.307 53.967 56.287 -0.022 0.000 0.825 347 K CB 2.478 34.901 32.500 -0.129 0.000 1.119 347 K HN 0.090 nan 8.250 nan 0.000 0.430 348 P HA 0.137 nan 4.420 nan 0.000 0.276 348 P C -0.101 177.135 177.300 -0.107 0.000 1.264 348 P CA -0.135 62.920 63.100 -0.075 0.000 0.769 348 P CB 0.497 32.156 31.700 -0.068 0.000 0.840 349 L N 3.812 124.967 121.223 -0.114 0.000 2.464 349 L HA 0.233 4.586 4.340 0.023 0.000 0.264 349 L C 0.757 177.542 176.870 -0.141 0.000 1.199 349 L CA -0.482 54.276 54.840 -0.136 0.000 0.818 349 L CB 0.330 42.267 42.059 -0.202 0.000 1.102 349 L HN 0.301 nan 8.230 nan 0.000 0.473 350 L N 3.897 125.050 121.223 -0.117 0.000 2.427 350 L HA 0.405 4.759 4.340 0.023 0.000 0.264 350 L C -0.534 176.277 176.870 -0.098 0.000 0.989 350 L CA -0.235 54.519 54.840 -0.144 0.000 0.865 350 L CB 0.898 42.903 42.059 -0.090 0.000 1.209 350 L HN 0.237 nan 8.230 nan 0.000 0.430 351 I N 4.861 125.308 120.570 -0.206 0.000 2.421 351 I HA 0.169 4.352 4.170 0.023 0.000 0.291 351 I C 0.580 176.631 176.117 -0.110 0.000 1.089 351 I CA 0.307 61.494 61.300 -0.188 0.000 1.354 351 I CB 0.202 37.984 38.000 -0.365 0.000 1.413 351 I HN 0.562 nan 8.210 nan 0.000 0.513 352 R N 4.877 125.407 120.500 0.051 0.000 2.937 352 R HA 0.457 4.810 4.340 0.023 0.000 0.264 352 R C 0.521 176.902 176.300 0.136 0.000 1.334 352 R CA -0.280 55.907 56.100 0.145 0.000 1.516 352 R CB 0.905 31.129 30.300 -0.126 0.000 1.187 352 R HN 0.767 nan 8.270 nan 0.000 0.609 353 G N 0.037 108.857 108.800 0.032 0.000 2.667 353 G HA2 0.625 4.599 3.960 0.023 0.000 0.310 353 G HA3 0.625 4.599 3.960 0.023 0.000 0.310 353 G C -1.311 173.845 174.900 0.426 0.000 1.259 353 G CA -0.502 44.617 45.100 0.031 0.000 1.019 353 G HN 0.211 nan 8.290 nan 0.000 0.496 354 V N -0.278 119.905 119.914 0.449 0.000 2.969 354 V HA 0.449 4.583 4.120 0.023 0.000 0.304 354 V C -1.260 174.979 176.094 0.243 0.000 1.192 354 V CA -1.183 61.299 62.300 0.303 0.000 0.962 354 V CB 2.106 33.871 31.823 -0.096 0.000 1.045 354 V HN 0.764 nan 8.190 nan 0.000 0.428 355 N N 4.293 123.046 118.700 0.088 0.000 2.525 355 N HA 0.444 5.197 4.740 0.023 0.000 0.271 355 N C -0.639 174.659 175.510 -0.353 0.000 1.194 355 N CA -0.237 52.710 53.050 -0.172 0.000 0.964 355 N CB 1.328 39.643 38.487 -0.287 0.000 1.126 355 N HN 0.679 nan 8.380 nan 0.000 0.452 356 R N 1.867 122.120 120.500 -0.412 0.000 2.512 356 R HA 0.191 4.545 4.340 0.023 0.000 0.291 356 R C -1.068 174.975 176.300 -0.428 0.000 1.097 356 R CA -0.550 55.330 56.100 -0.366 0.000 0.940 356 R CB 0.732 30.824 30.300 -0.347 0.000 1.198 356 R HN 0.598 nan 8.270 nan 0.000 0.429 357 H N 2.114 121.026 119.070 -0.264 0.000 2.547 357 H HA 0.135 4.705 4.556 0.023 0.000 0.362 357 H C -0.442 174.868 175.328 -0.030 0.000 1.181 357 H CA 0.109 56.091 56.048 -0.109 0.000 1.376 357 H CB 1.418 31.179 29.762 -0.002 0.000 1.488 357 H HN 0.559 nan 8.280 nan 0.000 0.583 358 E N 1.883 122.253 120.200 0.284 0.000 1.936 358 E HA 0.101 4.464 4.350 0.023 0.000 0.267 358 E C -0.677 176.064 176.600 0.234 0.000 1.076 358 E CA -0.080 56.413 56.400 0.155 0.000 0.870 358 E CB 0.239 30.044 29.700 0.175 0.000 1.093 358 E HN 0.378 nan 8.360 nan 0.000 0.411 359 H N 1.549 120.674 119.070 0.091 0.000 2.771 359 H HA 0.285 4.855 4.556 0.023 0.000 0.361 359 H C -1.554 173.830 175.328 0.094 0.000 1.108 359 H CA -0.694 55.406 56.048 0.087 0.000 1.201 359 H CB 1.118 30.919 29.762 0.066 0.000 1.681 359 H HN 0.365 nan 8.280 nan 0.000 0.534 360 H N 6.073 124.778 119.070 -0.609 0.000 2.759 360 H HA 0.211 4.781 4.556 0.023 0.000 0.354 360 H C -2.306 172.680 175.328 -0.569 0.000 1.074 360 H CA -2.427 53.400 56.048 -0.369 0.000 1.226 360 H CB 2.769 32.478 29.762 -0.088 0.000 1.648 360 H HN 0.557 nan 8.280 nan 0.000 0.529 361 P HA -0.079 nan 4.420 nan 0.000 0.222 361 P C 1.018 178.264 177.300 -0.090 0.000 1.147 361 P CA 0.827 63.817 63.100 -0.183 0.000 0.790 361 P CB 0.897 32.513 31.700 -0.139 0.000 0.780 362 L N -1.934 119.382 121.223 0.156 0.000 2.445 362 L HA 0.136 4.489 4.340 0.023 0.000 0.207 362 L C 2.059 178.710 176.870 -0.365 0.000 1.053 362 L CA 0.551 55.301 54.840 -0.150 0.000 0.841 362 L CB -0.675 41.243 42.059 -0.235 0.000 1.074 362 L HN -0.037 nan 8.230 nan 0.000 0.479 363 H N -0.120 118.871 119.070 -0.131 0.000 2.539 363 H HA 0.295 4.865 4.556 0.023 0.000 0.269 363 H C 1.398 176.615 175.328 -0.184 0.000 0.980 363 H CA 0.432 56.352 56.048 -0.213 0.000 1.152 363 H CB 0.224 29.770 29.762 -0.361 0.000 1.407 363 H HN 0.374 nan 8.280 nan 0.000 0.564 364 G N 1.241 109.953 108.800 -0.146 0.000 2.595 364 G HA2 -0.394 3.579 3.960 0.023 0.000 0.297 364 G HA3 -0.394 3.579 3.960 0.023 0.000 0.297 364 G C 0.803 175.622 174.900 -0.135 0.000 1.181 364 G CA 0.442 45.408 45.100 -0.225 0.000 0.963 364 G HN 0.473 nan 8.290 nan 0.000 0.541 365 Q N 0.012 119.770 119.800 -0.071 0.000 2.188 365 Q HA 0.496 4.849 4.340 0.023 0.000 0.212 365 Q C 0.149 176.255 176.000 0.176 0.000 0.846 365 Q CA -0.172 55.648 55.803 0.027 0.000 0.989 365 Q CB 1.514 30.189 28.738 -0.106 0.000 1.114 365 Q HN 0.341 nan 8.270 nan 0.000 0.488 366 V N 2.089 122.068 119.914 0.109 0.000 2.461 366 V HA 0.191 4.324 4.120 0.023 0.000 0.275 366 V C 0.107 176.213 176.094 0.021 0.000 1.047 366 V CA 0.071 62.425 62.300 0.091 0.000 0.955 366 V CB 1.071 32.903 31.823 0.014 0.000 0.988 366 V HN 0.340 nan 8.190 nan 0.000 0.471 367 M N 5.572 125.186 119.600 0.023 0.000 2.404 367 M HA 0.478 4.972 4.480 0.023 0.000 0.338 367 M C -0.436 175.776 176.300 -0.147 0.000 1.150 367 M CA -0.598 54.672 55.300 -0.050 0.000 1.016 367 M CB 1.722 34.287 32.600 -0.059 0.000 1.672 367 M HN 0.813 nan 8.290 nan 0.000 0.448 368 D N 0.747 121.063 120.400 -0.140 0.000 2.527 368 D HA 0.225 4.879 4.640 0.023 0.000 0.233 368 D C 0.178 176.421 176.300 -0.096 0.000 1.063 368 D CA -0.447 53.468 54.000 -0.141 0.000 0.880 368 D CB 1.843 42.557 40.800 -0.142 0.000 1.457 368 D HN 0.696 nan 8.370 nan 0.000 0.475 369 E N 0.566 120.722 120.200 -0.073 0.000 2.070 369 E HA -0.278 4.086 4.350 0.023 0.000 0.197 369 E C 1.710 178.329 176.600 0.033 0.000 1.004 369 E CA 1.649 58.042 56.400 -0.010 0.000 0.805 369 E CB 0.168 29.880 29.700 0.020 0.000 0.744 369 E HN 0.478 nan 8.360 nan 0.000 0.451 370 Q N -0.568 119.249 119.800 0.029 0.000 2.077 370 Q HA -0.174 4.180 4.340 0.023 0.000 0.206 370 Q C 2.278 178.318 176.000 0.067 0.000 0.989 370 Q CA 2.174 58.007 55.803 0.050 0.000 0.853 370 Q CB -0.133 28.633 28.738 0.046 0.000 0.907 370 Q HN 0.318 nan 8.270 nan 0.000 0.418 371 T N 0.775 115.373 114.554 0.073 0.000 2.821 371 T HA -0.112 4.251 4.350 0.023 0.000 0.267 371 T C 1.816 176.579 174.700 0.106 0.000 1.046 371 T CA 1.101 63.261 62.100 0.100 0.000 1.139 371 T CB -0.107 68.844 68.868 0.138 0.000 0.871 371 T HN 0.232 nan 8.240 nan 0.000 0.454 372 M N 0.490 120.154 119.600 0.107 0.000 2.086 372 M HA -0.082 4.411 4.480 0.023 0.000 0.261 372 M C 2.454 178.860 176.300 0.176 0.000 1.067 372 M CA 1.312 56.745 55.300 0.221 0.000 1.116 372 M CB -0.556 32.202 32.600 0.262 0.000 1.348 372 M HN 0.093 nan 8.290 nan 0.000 0.407 373 V N 0.263 120.225 119.914 0.081 0.000 2.343 373 V HA -0.290 3.844 4.120 0.023 0.000 0.247 373 V C 2.312 178.382 176.094 -0.041 0.000 1.051 373 V CA 2.042 64.329 62.300 -0.020 0.000 1.036 373 V CB -0.861 30.987 31.823 0.041 0.000 0.654 373 V HN 0.561 nan 8.190 nan 0.000 0.451 374 Q N -0.219 119.605 119.800 0.040 0.000 2.084 374 Q HA -0.259 4.095 4.340 0.023 0.000 0.202 374 Q C 1.945 178.005 176.000 0.100 0.000 0.978 374 Q CA 2.140 57.982 55.803 0.065 0.000 0.844 374 Q CB -0.117 28.674 28.738 0.089 0.000 0.898 374 Q HN 0.616 nan 8.270 nan 0.000 0.426 375 D N 0.411 120.891 120.400 0.134 0.000 2.097 375 D HA -0.138 4.515 4.640 0.023 0.000 0.195 375 D C 1.973 178.229 176.300 -0.074 0.000 0.989 375 D CA 1.230 55.322 54.000 0.154 0.000 0.827 375 D CB -0.224 40.653 40.800 0.128 0.000 0.966 375 D HN 0.363 nan 8.370 nan 0.000 0.456 376 I N 0.729 121.238 120.570 -0.101 0.000 2.163 376 I HA -0.258 3.926 4.170 0.023 0.000 0.243 376 I C 2.501 178.470 176.117 -0.246 0.000 1.085 376 I CA 0.746 61.886 61.300 -0.268 0.000 1.347 376 I CB -0.262 37.476 38.000 -0.436 0.000 1.044 376 I HN 0.004 nan 8.210 nan 0.000 0.408 377 L N 0.239 121.342 121.223 -0.199 0.000 2.012 377 L HA -0.245 4.108 4.340 0.023 0.000 0.210 377 L C 2.592 179.503 176.870 0.069 0.000 1.073 377 L CA 1.489 56.292 54.840 -0.061 0.000 0.748 377 L CB -0.526 41.515 42.059 -0.029 0.000 0.891 377 L HN 0.283 nan 8.230 nan 0.000 0.431 378 L N -1.199 120.090 121.223 0.110 0.000 2.131 378 L HA -0.237 4.117 4.340 0.023 0.000 0.210 378 L C 2.617 179.638 176.870 0.252 0.000 1.092 378 L CA 1.222 56.212 54.840 0.250 0.000 0.759 378 L CB -0.290 42.017 42.059 0.414 0.000 0.903 378 L HN 0.313 nan 8.230 nan 0.000 0.435 379 M N -0.608 118.966 119.600 -0.043 0.000 2.077 379 M HA -0.209 4.285 4.480 0.023 0.000 0.261 379 M C 2.282 178.649 176.300 0.112 0.000 1.070 379 M CA 1.838 57.023 55.300 -0.192 0.000 1.125 379 M CB -0.275 31.989 32.600 -0.561 0.000 1.339 379 M HN 0.036 nan 8.290 nan 0.000 0.409 380 K N -0.027 120.358 120.400 -0.025 0.000 2.147 380 K HA -0.173 4.161 4.320 0.023 0.000 0.205 380 K C 1.934 178.544 176.600 0.017 0.000 1.049 380 K CA 1.208 57.406 56.287 -0.148 0.000 0.936 380 K CB -0.183 32.051 32.500 -0.443 0.000 0.722 380 K HN 0.440 nan 8.250 nan 0.000 0.446 381 Q N 0.278 120.234 119.800 0.261 0.000 2.364 381 Q HA -0.025 4.329 4.340 0.023 0.000 0.207 381 Q C 0.746 177.049 176.000 0.505 0.000 0.970 381 Q CA 0.696 56.760 55.803 0.435 0.000 0.888 381 Q CB 0.195 29.137 28.738 0.340 0.000 0.951 381 Q HN 0.262 nan 8.270 nan 0.000 0.469 382 N N 0.630 119.584 118.700 0.425 0.000 2.321 382 N HA 0.064 4.817 4.740 0.023 0.000 0.242 382 N C -0.729 174.931 175.510 0.250 0.000 1.141 382 N CA 0.018 53.321 53.050 0.422 0.000 0.864 382 N CB 0.701 39.513 38.487 0.542 0.000 1.100 382 N HN 0.155 nan 8.380 nan 0.000 0.510 383 N N 0.301 119.144 118.700 0.238 0.000 2.747 383 N HA -0.188 4.566 4.740 0.023 0.000 0.249 383 N C -1.041 174.411 175.510 -0.096 0.000 1.107 383 N CA 0.863 53.998 53.050 0.140 0.000 0.707 383 N CB -1.689 36.767 38.487 -0.051 0.000 1.054 383 N HN 0.247 nan 8.380 nan 0.000 0.555 384 F N 0.952 120.924 119.950 0.038 0.000 2.399 384 F HA 0.347 4.887 4.527 0.022 0.000 0.334 384 F C 1.644 177.432 175.800 -0.018 0.000 1.097 384 F CA -0.787 57.213 58.000 0.000 0.000 1.076 384 F CB 1.031 40.005 39.000 -0.043 0.000 1.162 384 F HN 0.022 nan 8.300 nan 0.000 0.495 385 N N 0.916 119.720 118.700 0.175 0.000 2.160 385 N HA 0.449 5.203 4.740 0.023 0.000 0.226 385 N C -0.880 174.667 175.510 0.061 0.000 1.256 385 N CA -0.049 53.030 53.050 0.047 0.000 0.890 385 N CB 0.784 39.344 38.487 0.122 0.000 1.116 385 N HN 0.469 nan 8.380 nan 0.000 0.517 386 A N -0.527 122.398 122.820 0.174 0.000 2.594 386 A HA 0.741 5.075 4.320 0.023 0.000 0.295 386 A C -1.778 176.025 177.584 0.364 0.000 1.071 386 A CA -0.712 51.495 52.037 0.282 0.000 0.685 386 A CB 1.869 21.053 19.000 0.307 0.000 1.285 386 A HN 0.209 nan 8.150 nan 0.000 0.405 387 V N 1.408 121.607 119.914 0.475 0.000 2.760 387 V HA 0.779 4.913 4.120 0.023 0.000 0.309 387 V C -0.596 175.666 176.094 0.279 0.000 1.077 387 V CA -0.705 61.839 62.300 0.406 0.000 0.910 387 V CB 1.839 33.830 31.823 0.280 0.000 1.008 387 V HN 1.079 nan 8.190 nan 0.000 0.424 388 R N 5.078 125.577 120.500 -0.002 0.000 2.338 388 R HA 0.469 4.823 4.340 0.023 0.000 0.317 388 R C -0.731 175.434 176.300 -0.225 0.000 0.968 388 R CA -0.494 55.398 56.100 -0.346 0.000 0.849 388 R CB 1.068 30.921 30.300 -0.744 0.000 1.128 388 R HN 0.811 nan 8.270 nan 0.000 0.448 389 C N 4.362 123.562 119.300 -0.166 0.000 3.183 389 C HA 0.108 4.582 4.460 0.023 0.000 0.545 389 C C 0.608 175.331 174.990 -0.445 0.000 1.044 389 C CA -0.484 58.386 59.018 -0.245 0.000 1.117 389 C CB -2.044 25.670 27.740 -0.044 0.000 1.393 389 C HN 0.720 nan 8.230 nan 0.000 0.611 390 S N 1.420 116.733 115.700 -0.645 0.000 2.466 390 S HA 0.147 4.630 4.470 0.023 0.000 0.286 390 S C -0.097 173.641 174.600 -1.436 0.000 1.221 390 S CA 0.226 57.797 58.200 -1.049 0.000 1.091 390 S CB 0.001 62.548 63.200 -1.088 0.000 0.956 390 S HN 0.734 nan 8.310 nan 0.000 0.501 391 H N 3.746 122.277 119.070 -0.898 0.000 2.511 391 H HA 0.306 4.876 4.556 0.022 0.000 0.228 391 H C -1.149 174.108 175.328 -0.117 0.000 1.424 391 H CA -0.362 55.524 56.048 -0.269 0.000 1.321 391 H CB -0.076 29.712 29.762 0.042 0.000 1.720 391 H HN 0.891 nan 8.280 nan 0.000 0.512 392 Y N -2.865 117.545 120.300 0.182 0.000 2.732 392 Y HA 0.415 4.978 4.550 0.023 0.000 0.342 392 Y C -3.375 172.637 175.900 0.186 0.000 1.203 392 Y CA -3.177 55.039 58.100 0.193 0.000 1.092 392 Y CB 0.029 38.611 38.460 0.203 0.000 1.345 392 Y HN -0.093 nan 8.280 nan 0.000 0.458 393 P HA 0.179 nan 4.420 nan 0.000 0.268 393 P C -0.744 176.843 177.300 0.479 0.000 1.204 393 P CA 0.325 63.682 63.100 0.428 0.000 0.768 393 P CB 0.582 32.465 31.700 0.304 0.000 0.842 394 N N 0.786 119.769 118.700 0.472 0.000 2.447 394 N HA 0.104 4.858 4.740 0.023 0.000 0.271 394 N C -0.026 175.685 175.510 0.335 0.000 1.226 394 N CA -0.374 52.848 53.050 0.287 0.000 0.980 394 N CB 0.038 38.480 38.487 -0.076 0.000 1.206 394 N HN 0.477 nan 8.380 nan 0.000 0.558 395 H N 2.251 121.390 119.070 0.116 0.000 3.064 395 H HA -0.018 4.551 4.556 0.023 0.000 0.329 395 H C -1.518 173.943 175.328 0.221 0.000 1.020 395 H CA -0.742 55.366 56.048 0.101 0.000 1.402 395 H CB 0.797 30.583 29.762 0.041 0.000 1.379 395 H HN 0.433 nan 8.280 nan 0.000 0.594 396 P HA -0.203 nan 4.420 nan 0.000 0.220 396 P C 1.692 179.276 177.300 0.474 0.000 1.144 396 P CA 0.702 64.040 63.100 0.396 0.000 0.800 396 P CB 0.261 32.054 31.700 0.156 0.000 0.772 397 L N -1.225 120.359 121.223 0.603 0.000 2.217 397 L HA 0.019 4.372 4.340 0.023 0.000 0.211 397 L C 2.406 179.412 176.870 0.227 0.000 1.107 397 L CA 1.183 56.236 54.840 0.354 0.000 0.783 397 L CB -1.355 40.846 42.059 0.237 0.000 0.919 397 L HN -0.010 nan 8.230 nan 0.000 0.442 398 W N -0.456 120.827 121.300 -0.028 0.000 2.335 398 W HA -0.331 4.342 4.660 0.022 0.000 0.311 398 W C 2.029 178.367 176.519 -0.301 0.000 1.213 398 W CA 1.899 59.103 57.345 -0.236 0.000 1.274 398 W CB -0.331 28.881 29.460 -0.414 0.000 1.148 398 W HN 0.260 nan 8.180 nan 0.000 0.498 399 Y N 0.756 120.986 120.300 -0.117 0.000 2.200 399 Y HA -0.209 4.354 4.550 0.023 0.000 0.290 399 Y C 2.877 178.528 175.900 -0.416 0.000 1.137 399 Y CA 2.183 60.006 58.100 -0.462 0.000 1.163 399 Y CB -1.322 36.591 38.460 -0.912 0.000 0.988 399 Y HN -0.221 nan 8.280 nan 0.000 0.518 400 T N 0.629 115.148 114.554 -0.059 0.000 2.746 400 T HA -0.156 4.208 4.350 0.023 0.000 0.267 400 T C 2.006 176.724 174.700 0.030 0.000 1.039 400 T CA 1.399 63.555 62.100 0.094 0.000 1.142 400 T CB -0.532 68.451 68.868 0.192 0.000 0.866 400 T HN 0.227 nan 8.240 nan 0.000 0.444 401 L N 0.249 121.451 121.223 -0.035 0.000 2.056 401 L HA -0.073 4.281 4.340 0.023 0.000 0.207 401 L C 2.821 179.655 176.870 -0.059 0.000 1.078 401 L CA 0.850 55.691 54.840 0.001 0.000 0.749 401 L CB -0.629 41.421 42.059 -0.015 0.000 0.901 401 L HN 0.361 nan 8.230 nan 0.000 0.433 402 C N -0.248 118.864 119.300 -0.314 0.000 2.432 402 C HA -0.125 4.349 4.460 0.023 0.000 0.280 402 C C 2.362 177.382 174.990 0.051 0.000 1.353 402 C CA 0.331 59.191 59.018 -0.262 0.000 1.766 402 C CB -0.798 26.663 27.740 -0.465 0.000 1.924 402 C HN 0.534 nan 8.230 nan 0.000 0.509 403 D N 0.557 120.995 120.400 0.064 0.000 2.117 403 D HA -0.075 4.579 4.640 0.023 0.000 0.198 403 D C 2.404 178.902 176.300 0.331 0.000 0.982 403 D CA 1.105 55.220 54.000 0.191 0.000 0.828 403 D CB -0.329 40.532 40.800 0.102 0.000 0.967 403 D HN 0.523 nan 8.370 nan 0.000 0.464 404 R N -0.838 119.746 120.500 0.140 0.000 2.093 404 R HA -0.016 4.338 4.340 0.023 0.000 0.224 404 R C 1.932 178.190 176.300 -0.069 0.000 1.101 404 R CA 0.631 56.746 56.100 0.025 0.000 0.979 404 R CB -0.112 30.125 30.300 -0.105 0.000 0.877 404 R HN 0.249 nan 8.270 nan 0.000 0.441 405 Y N -0.126 120.182 120.300 0.014 0.000 2.490 405 Y HA 0.218 4.782 4.550 0.022 0.000 0.285 405 Y C 0.952 176.781 175.900 -0.119 0.000 1.117 405 Y CA 0.719 58.798 58.100 -0.035 0.000 1.262 405 Y CB 0.634 39.047 38.460 -0.079 0.000 1.043 405 Y HN 0.222 nan 8.280 nan 0.000 0.553 406 G N 1.234 110.066 108.800 0.053 0.000 2.858 406 G HA2 -0.152 3.821 3.960 0.023 0.000 0.266 406 G HA3 -0.152 3.821 3.960 0.023 0.000 0.266 406 G C -1.132 173.612 174.900 -0.261 0.000 1.023 406 G CA -0.423 44.584 45.100 -0.156 0.000 1.172 406 G HN 0.176 nan 8.290 nan 0.000 0.523 407 L N 1.424 122.563 121.223 -0.139 0.000 2.493 407 L HA 0.434 4.787 4.340 0.023 0.000 0.265 407 L C -0.453 176.413 176.870 -0.007 0.000 0.954 407 L CA -1.325 53.394 54.840 -0.202 0.000 0.844 407 L CB 1.849 43.806 42.059 -0.170 0.000 1.302 407 L HN 0.389 nan 8.230 nan 0.000 0.405 408 Y N 2.179 122.606 120.300 0.212 0.000 2.377 408 Y HA 0.370 4.935 4.550 0.025 0.000 0.330 408 Y C 0.308 176.340 175.900 0.220 0.000 1.108 408 Y CA -0.549 57.710 58.100 0.265 0.000 1.308 408 Y CB 0.903 39.501 38.460 0.230 0.000 1.216 408 Y HN 0.108 nan 8.280 nan 0.000 0.518 409 V N 4.129 124.233 119.914 0.316 0.000 2.555 409 V HA 0.403 4.536 4.120 0.023 0.000 0.302 409 V C -0.528 175.654 176.094 0.147 0.000 1.038 409 V CA -1.084 61.349 62.300 0.222 0.000 0.887 409 V CB 1.926 33.853 31.823 0.173 0.000 0.991 409 V HN 0.468 nan 8.190 nan 0.000 0.434 410 V N 3.243 123.213 119.914 0.094 0.000 2.318 410 V HA 0.295 4.429 4.120 0.023 0.000 0.271 410 V C -0.216 175.915 176.094 0.061 0.000 1.030 410 V CA -0.400 61.901 62.300 0.002 0.000 0.844 410 V CB 1.279 32.989 31.823 -0.188 0.000 1.015 410 V HN 0.878 nan 8.190 nan 0.000 0.460 411 D N 4.187 124.653 120.400 0.110 0.000 2.317 411 D HA 0.227 4.881 4.640 0.023 0.000 0.252 411 D C -0.105 176.380 176.300 0.308 0.000 1.174 411 D CA 0.061 54.219 54.000 0.264 0.000 0.866 411 D CB 1.105 42.074 40.800 0.282 0.000 1.127 411 D HN 0.680 nan 8.370 nan 0.000 0.467 412 E N 1.919 122.270 120.200 0.252 0.000 2.171 412 E HA 0.603 4.966 4.350 0.023 0.000 0.271 412 E C -0.936 175.811 176.600 0.245 0.000 0.916 412 E CA -1.063 55.476 56.400 0.232 0.000 0.774 412 E CB 1.287 31.080 29.700 0.156 0.000 1.128 412 E HN 0.475 nan 8.360 nan 0.000 0.403 413 A N 3.892 126.848 122.820 0.225 0.000 2.445 413 A HA 0.054 4.387 4.320 0.023 0.000 0.242 413 A C 0.264 177.978 177.584 0.217 0.000 1.075 413 A CA -0.233 51.915 52.037 0.185 0.000 0.777 413 A CB 0.128 19.199 19.000 0.118 0.000 1.013 413 A HN 0.705 nan 8.150 nan 0.000 0.493 414 N N 1.429 120.265 118.700 0.228 0.000 2.819 414 N HA 0.274 5.027 4.740 0.023 0.000 0.284 414 N C -1.024 174.618 175.510 0.220 0.000 1.196 414 N CA 0.253 53.471 53.050 0.280 0.000 1.114 414 N CB -0.783 37.872 38.487 0.280 0.000 1.437 414 N HN 0.469 nan 8.380 nan 0.000 0.518 415 I N 1.142 121.837 120.570 0.209 0.000 2.531 415 I HA 0.234 4.417 4.170 0.023 0.000 0.283 415 I C -0.681 175.535 176.117 0.164 0.000 1.083 415 I CA -0.520 60.880 61.300 0.167 0.000 1.071 415 I CB 1.616 39.683 38.000 0.112 0.000 1.210 415 I HN 0.271 nan 8.210 nan 0.000 0.450 416 E N 4.238 124.534 120.200 0.159 0.000 2.274 416 E HA 0.398 4.761 4.350 0.023 0.000 0.269 416 E C -0.497 176.173 176.600 0.118 0.000 0.891 416 E CA -0.416 56.050 56.400 0.111 0.000 0.784 416 E CB 1.742 31.489 29.700 0.077 0.000 1.225 416 E HN 0.584 nan 8.360 nan 0.000 0.412 417 T N 0.564 115.179 114.554 0.103 0.000 3.374 417 T HA 0.158 4.522 4.350 0.023 0.000 0.267 417 T C 0.884 175.647 174.700 0.104 0.000 0.996 417 T CA -0.367 61.824 62.100 0.152 0.000 0.977 417 T CB -0.252 68.677 68.868 0.102 0.000 1.149 417 T HN 0.642 nan 8.240 nan 0.000 0.517 418 H N 1.228 120.223 119.070 -0.124 0.000 2.353 418 H HA -0.061 4.510 4.556 0.024 0.000 0.298 418 H C 2.301 177.507 175.328 -0.203 0.000 1.103 418 H CA 1.249 57.192 56.048 -0.175 0.000 1.293 418 H CB -0.189 29.437 29.762 -0.227 0.000 1.372 418 H HN 0.587 nan 8.280 nan 0.000 0.501 419 G N 0.234 108.864 108.800 -0.284 0.000 2.776 419 G HA2 -0.046 3.928 3.960 0.023 0.000 0.209 419 G HA3 -0.046 3.928 3.960 0.023 0.000 0.209 419 G C 0.430 175.437 174.900 0.179 0.000 1.145 419 G CA -0.124 44.838 45.100 -0.230 0.000 0.791 419 G HN 0.149 nan 8.290 nan 0.000 0.530 420 M N 0.285 120.029 119.600 0.239 0.000 2.228 420 M HA 0.361 4.854 4.480 0.023 0.000 0.326 420 M C -0.426 175.912 176.300 0.064 0.000 1.122 420 M CA -0.463 54.935 55.300 0.164 0.000 1.161 420 M CB 1.491 34.148 32.600 0.096 0.000 1.437 420 M HN -0.209 nan 8.290 nan 0.000 0.465 421 V N 3.891 123.822 119.914 0.028 0.000 2.447 421 V HA 0.352 4.486 4.120 0.023 0.000 0.292 421 V C -1.924 174.167 176.094 -0.005 0.000 1.021 421 V CA -1.228 61.075 62.300 0.005 0.000 0.850 421 V CB 1.659 33.479 31.823 -0.004 0.000 1.005 421 V HN 0.739 nan 8.190 nan 0.000 0.426 422 P HA 0.250 nan 4.420 nan 0.000 0.277 422 P C 1.015 178.324 177.300 0.015 0.000 1.276 422 P CA -0.531 62.571 63.100 0.004 0.000 0.788 422 P CB 1.178 32.883 31.700 0.007 0.000 1.114 423 M N 0.462 120.076 119.600 0.024 0.000 2.267 423 M HA -0.162 4.332 4.480 0.023 0.000 0.263 423 M C 1.289 177.615 176.300 0.044 0.000 1.063 423 M CA 1.799 57.124 55.300 0.041 0.000 1.090 423 M CB -0.466 32.150 32.600 0.027 0.000 1.392 423 M HN 0.357 nan 8.290 nan 0.000 0.422 424 N N -0.050 118.677 118.700 0.045 0.000 2.313 424 N HA -0.074 4.680 4.740 0.023 0.000 0.207 424 N C 1.128 176.630 175.510 -0.013 0.000 1.141 424 N CA 0.149 53.226 53.050 0.046 0.000 0.830 424 N CB -0.704 37.834 38.487 0.086 0.000 1.008 424 N HN 0.388 nan 8.380 nan 0.000 0.481 425 R N 0.303 120.780 120.500 -0.038 0.000 2.105 425 R HA 0.021 4.374 4.340 0.023 0.000 0.239 425 R C 1.344 177.558 176.300 -0.144 0.000 1.135 425 R CA 1.179 57.234 56.100 -0.074 0.000 0.967 425 R CB 0.038 30.290 30.300 -0.079 0.000 0.861 425 R HN 0.289 nan 8.270 nan 0.000 0.442 426 L N -0.767 120.312 121.223 -0.240 0.000 2.253 426 L HA 0.021 4.375 4.340 0.023 0.000 0.205 426 L C 2.397 179.135 176.870 -0.220 0.000 1.078 426 L CA 1.156 55.736 54.840 -0.434 0.000 0.805 426 L CB -0.390 41.156 42.059 -0.854 0.000 0.963 426 L HN 0.302 nan 8.230 nan 0.000 0.459 427 T N -4.311 110.142 114.554 -0.168 0.000 3.072 427 T HA -0.152 4.211 4.350 0.023 0.000 0.266 427 T C 1.201 175.813 174.700 -0.146 0.000 1.127 427 T CA 1.182 63.167 62.100 -0.192 0.000 1.107 427 T CB -0.192 68.516 68.868 -0.266 0.000 0.910 427 T HN 0.114 nan 8.240 nan 0.000 0.513 428 D N 0.859 121.216 120.400 -0.072 0.000 2.369 428 D HA 0.114 4.767 4.640 0.023 0.000 0.211 428 D C -0.292 176.001 176.300 -0.011 0.000 1.077 428 D CA -0.253 53.723 54.000 -0.039 0.000 0.842 428 D CB 0.011 40.805 40.800 -0.010 0.000 0.947 428 D HN 0.297 nan 8.370 nan 0.000 0.509 429 D N 0.023 120.429 120.400 0.010 0.000 2.317 429 D HA 0.121 4.775 4.640 0.023 0.000 0.234 429 D C -1.578 174.772 176.300 0.084 0.000 1.112 429 D CA -2.224 51.816 54.000 0.066 0.000 0.840 429 D CB 2.011 42.894 40.800 0.139 0.000 1.078 429 D HN -0.011 nan 8.370 nan 0.000 0.486 430 P HA -0.124 nan 4.420 nan 0.000 0.222 430 P C 0.939 178.237 177.300 -0.004 0.000 1.147 430 P CA 0.640 63.747 63.100 0.011 0.000 0.790 430 P CB 0.405 32.102 31.700 -0.004 0.000 0.780 431 R N -1.514 118.989 120.500 0.004 0.000 2.189 431 R HA -0.078 4.275 4.340 0.023 0.000 0.223 431 R C 1.617 177.775 176.300 -0.237 0.000 1.092 431 R CA 1.184 57.217 56.100 -0.113 0.000 0.989 431 R CB -0.528 29.696 30.300 -0.127 0.000 0.876 431 R HN 0.341 nan 8.270 nan 0.000 0.457 432 W N -0.084 121.160 121.300 -0.094 0.000 3.278 432 W HA 0.119 4.792 4.660 0.022 0.000 0.308 432 W C 1.542 177.999 176.519 -0.104 0.000 1.253 432 W CA -0.518 56.770 57.345 -0.095 0.000 1.759 432 W CB 0.022 29.423 29.460 -0.098 0.000 1.093 432 W HN -0.008 nan 8.180 nan 0.000 0.648 433 L N 2.173 123.420 121.223 0.040 0.000 2.012 433 L HA -0.060 4.294 4.340 0.023 0.000 0.210 433 L C -0.690 176.141 176.870 -0.066 0.000 1.073 433 L CA 2.286 57.110 54.840 -0.027 0.000 0.748 433 L CB -1.742 40.290 42.059 -0.045 0.000 0.891 433 L HN -0.218 nan 8.230 nan 0.000 0.431 434 P HA -0.162 nan 4.420 nan 0.000 0.214 434 P C 1.648 178.892 177.300 -0.093 0.000 1.163 434 P CA 2.231 65.266 63.100 -0.108 0.000 0.883 434 P CB -0.230 31.396 31.700 -0.122 0.000 0.788 435 A N -1.137 121.640 122.820 -0.072 0.000 1.940 435 A HA -0.223 4.111 4.320 0.023 0.000 0.219 435 A C 2.214 179.811 177.584 0.022 0.000 1.176 435 A CA 2.048 54.079 52.037 -0.011 0.000 0.631 435 A CB -1.484 17.537 19.000 0.035 0.000 0.814 435 A HN 0.122 nan 8.150 nan 0.000 0.446 436 M N 0.084 119.700 119.600 0.027 0.000 2.132 436 M HA -0.135 4.358 4.480 0.023 0.000 0.263 436 M C 2.568 178.808 176.300 -0.100 0.000 1.065 436 M CA 1.690 56.981 55.300 -0.015 0.000 1.122 436 M CB -0.390 32.180 32.600 -0.049 0.000 1.365 436 M HN 0.664 nan 8.290 nan 0.000 0.411 437 S N 0.509 116.118 115.700 -0.152 0.000 2.370 437 S HA -0.185 4.299 4.470 0.023 0.000 0.226 437 S C 1.615 176.034 174.600 -0.302 0.000 1.033 437 S CA 1.461 59.498 58.200 -0.271 0.000 1.011 437 S CB -0.653 62.365 63.200 -0.304 0.000 0.852 437 S HN 0.516 nan 8.310 nan 0.000 0.457 438 E N 1.105 121.183 120.200 -0.203 0.000 2.153 438 E HA -0.085 4.279 4.350 0.023 0.000 0.194 438 E C 2.390 178.906 176.600 -0.141 0.000 0.988 438 E CA 0.890 57.182 56.400 -0.179 0.000 0.811 438 E CB -0.171 29.462 29.700 -0.111 0.000 0.746 438 E HN 0.581 nan 8.360 nan 0.000 0.466 439 R N 0.179 120.626 120.500 -0.088 0.000 2.148 439 R HA -0.052 4.301 4.340 0.023 0.000 0.223 439 R C 2.208 178.472 176.300 -0.060 0.000 1.088 439 R CA 0.565 56.646 56.100 -0.032 0.000 0.985 439 R CB 0.131 30.450 30.300 0.031 0.000 0.880 439 R HN 0.010 nan 8.270 nan 0.000 0.451 440 V N -0.134 119.695 119.914 -0.142 0.000 2.492 440 V HA -0.148 3.986 4.120 0.023 0.000 0.241 440 V C 2.401 178.320 176.094 -0.292 0.000 1.041 440 V CA 1.990 64.186 62.300 -0.173 0.000 1.057 440 V CB -0.076 31.638 31.823 -0.180 0.000 0.711 440 V HN 0.486 nan 8.190 nan 0.000 0.468 441 T N -0.684 113.567 114.554 -0.505 0.000 2.777 441 T HA -0.224 4.139 4.350 0.023 0.000 0.266 441 T C 1.915 176.462 174.700 -0.256 0.000 1.040 441 T CA 1.309 63.022 62.100 -0.645 0.000 1.141 441 T CB -0.390 67.902 68.868 -0.959 0.000 0.868 441 T HN 0.376 nan 8.240 nan 0.000 0.444 442 R N 0.147 120.521 120.500 -0.209 0.000 2.235 442 R HA 0.273 4.626 4.340 0.023 0.000 0.213 442 R C 2.519 178.750 176.300 -0.116 0.000 1.059 442 R CA 0.959 56.974 56.100 -0.142 0.000 0.997 442 R CB -0.373 29.850 30.300 -0.128 0.000 0.884 442 R HN 0.503 nan 8.270 nan 0.000 0.462 443 M N 0.306 119.842 119.600 -0.107 0.000 2.160 443 M HA -0.104 4.389 4.480 0.023 0.000 0.264 443 M C 1.779 178.013 176.300 -0.110 0.000 1.073 443 M CA 1.546 56.816 55.300 -0.051 0.000 1.142 443 M CB 0.176 32.782 32.600 0.010 0.000 1.358 443 M HN -0.042 nan 8.290 nan 0.000 0.422 444 V N 1.269 121.006 119.914 -0.296 0.000 2.343 444 V HA -0.292 3.842 4.120 0.023 0.000 0.247 444 V C 2.259 178.255 176.094 -0.164 0.000 1.051 444 V CA 2.012 64.019 62.300 -0.488 0.000 1.036 444 V CB -1.009 30.491 31.823 -0.539 0.000 0.654 444 V HN 0.591 nan 8.190 nan 0.000 0.451 445 Q N -0.709 119.032 119.800 -0.098 0.000 2.226 445 Q HA -0.205 4.148 4.340 0.023 0.000 0.204 445 Q C 2.429 178.363 176.000 -0.110 0.000 0.975 445 Q CA 1.346 57.106 55.803 -0.072 0.000 0.866 445 Q CB -0.142 28.571 28.738 -0.042 0.000 0.915 445 Q HN 0.548 nan 8.270 nan 0.000 0.440 446 R N 0.452 120.881 120.500 -0.119 0.000 2.064 446 R HA -0.073 4.281 4.340 0.023 0.000 0.221 446 R C 0.678 176.919 176.300 -0.097 0.000 1.136 446 R CA 1.238 57.250 56.100 -0.146 0.000 0.980 446 R CB 0.404 30.619 30.300 -0.141 0.000 0.876 446 R HN 0.165 nan 8.270 nan 0.000 0.437 447 D N 0.329 120.723 120.400 -0.010 0.000 2.349 447 D HA -0.026 4.628 4.640 0.023 0.000 0.214 447 D C 1.401 177.790 176.300 0.148 0.000 1.063 447 D CA 0.151 54.176 54.000 0.041 0.000 0.847 447 D CB 0.153 40.881 40.800 -0.120 0.000 0.933 447 D HN 0.389 nan 8.370 nan 0.000 0.513 448 R N 0.766 121.374 120.500 0.180 0.000 2.249 448 R HA -0.029 4.325 4.340 0.023 0.000 0.230 448 R C 0.924 177.215 176.300 -0.015 0.000 1.121 448 R CA 0.915 57.128 56.100 0.188 0.000 0.997 448 R CB -0.290 30.053 30.300 0.072 0.000 0.867 448 R HN -0.056 nan 8.270 nan 0.000 0.465 449 N N 0.178 118.794 118.700 -0.140 0.000 2.353 449 N HA -0.010 4.743 4.740 0.023 0.000 0.185 449 N C -0.398 174.974 175.510 -0.230 0.000 1.098 449 N CA 0.289 53.219 53.050 -0.200 0.000 0.872 449 N CB 0.068 38.392 38.487 -0.272 0.000 0.970 449 N HN 0.286 nan 8.380 nan 0.000 0.467 450 H N 1.753 120.751 119.070 -0.120 0.000 2.878 450 H HA 0.075 4.644 4.556 0.022 0.000 0.290 450 H C -1.144 174.031 175.328 -0.255 0.000 1.065 450 H CA -1.114 54.847 56.048 -0.145 0.000 1.477 450 H CB 1.328 31.032 29.762 -0.096 0.000 1.484 450 H HN 0.109 nan 8.280 nan 0.000 0.504 451 P HA -0.145 nan 4.420 nan 0.000 0.221 451 P C 1.389 178.220 177.300 -0.780 0.000 1.150 451 P CA 1.024 63.777 63.100 -0.579 0.000 0.800 451 P CB 0.327 31.508 31.700 -0.864 0.000 0.787 452 S N -0.547 114.802 115.700 -0.585 0.000 2.399 452 S HA -0.048 4.436 4.470 0.023 0.000 0.231 452 S C 1.149 175.719 174.600 -0.050 0.000 1.022 452 S CA 0.431 58.465 58.200 -0.277 0.000 0.983 452 S CB -1.535 61.643 63.200 -0.038 0.000 0.803 452 S HN -0.048 nan 8.310 nan 0.000 0.480 453 V N 3.776 123.627 119.914 -0.105 0.000 2.415 453 V HA 0.241 4.374 4.120 0.023 0.000 0.267 453 V C 1.091 177.039 176.094 -0.243 0.000 1.042 453 V CA -0.005 62.196 62.300 -0.164 0.000 1.000 453 V CB 0.328 31.955 31.823 -0.327 0.000 1.015 453 V HN 0.633 nan 8.190 nan 0.000 0.478 454 I N 2.540 123.024 120.570 -0.143 0.000 4.187 454 I HA 0.502 4.686 4.170 0.023 0.000 0.326 454 I C 0.363 176.370 176.117 -0.182 0.000 1.302 454 I CA 0.463 61.691 61.300 -0.121 0.000 1.196 454 I CB 0.500 38.514 38.000 0.022 0.000 1.095 454 I HN 0.311 nan 8.210 nan 0.000 0.411 455 I N 0.270 120.707 120.570 -0.222 0.000 2.656 455 I HA 0.360 4.543 4.170 0.023 0.000 0.292 455 I C -1.572 174.435 176.117 -0.184 0.000 1.144 455 I CA -0.438 60.770 61.300 -0.153 0.000 1.038 455 I CB 2.102 40.106 38.000 0.007 0.000 1.244 455 I HN 0.023 nan 8.210 nan 0.000 0.420 456 W N 3.805 125.155 121.300 0.084 0.000 2.496 456 W HA 0.603 5.274 4.660 0.019 0.000 0.327 456 W C 0.380 176.969 176.519 0.116 0.000 1.086 456 W CA -0.629 56.772 57.345 0.093 0.000 1.222 456 W CB 1.717 31.227 29.460 0.083 0.000 1.304 456 W HN 0.290 nan 8.180 nan 0.000 0.547 457 S N 2.673 118.611 115.700 0.397 0.000 2.500 457 S HA 0.403 4.887 4.470 0.023 0.000 0.301 457 S C 0.329 175.101 174.600 0.287 0.000 1.092 457 S CA -0.685 57.697 58.200 0.303 0.000 1.030 457 S CB 0.781 64.116 63.200 0.224 0.000 1.031 457 S HN 0.577 nan 8.310 nan 0.000 0.483 458 L N 4.089 125.473 121.223 0.268 0.000 2.599 458 L HA 0.342 4.696 4.340 0.023 0.000 0.230 458 L C 1.350 178.280 176.870 0.100 0.000 1.141 458 L CA 0.494 55.411 54.840 0.128 0.000 0.877 458 L CB -0.904 41.148 42.059 -0.011 0.000 1.009 458 L HN 0.948 nan 8.230 nan 0.000 0.447 459 G N -0.089 108.858 108.800 0.245 0.000 2.270 459 G HA2 -0.095 3.879 3.960 0.023 0.000 0.268 459 G HA3 -0.095 3.879 3.960 0.023 0.000 0.268 459 G C -1.763 173.341 174.900 0.339 0.000 1.312 459 G CA -0.603 44.649 45.100 0.254 0.000 1.050 459 G HN 0.133 nan 8.290 nan 0.000 0.474 460 N N 0.232 119.070 118.700 0.230 0.000 2.367 460 N HA 0.463 5.216 4.740 0.023 0.000 0.278 460 N C -0.459 175.019 175.510 -0.053 0.000 1.117 460 N CA 0.094 53.146 53.050 0.002 0.000 0.867 460 N CB 1.562 39.771 38.487 -0.464 0.000 1.649 460 N HN 0.868 nan 8.380 nan 0.000 0.479 461 E N 0.865 120.964 120.200 -0.169 0.000 2.160 461 E HA -0.183 4.181 4.350 0.023 0.000 0.180 461 E C -0.812 175.735 176.600 -0.088 0.000 1.452 461 E CA 0.757 56.989 56.400 -0.280 0.000 0.683 461 E CB -1.393 27.908 29.700 -0.665 0.000 1.072 461 E HN 0.432 nan 8.360 nan 0.000 0.332 462 S N 0.036 115.817 115.700 0.136 0.000 2.941 462 S HA 0.395 4.879 4.470 0.023 0.000 0.251 462 S C 0.763 175.529 174.600 0.276 0.000 1.029 462 S CA -0.147 58.178 58.200 0.209 0.000 1.062 462 S CB 1.357 64.734 63.200 0.294 0.000 0.977 462 S HN 0.851 nan 8.310 nan 0.000 0.552 463 G N 2.051 110.946 108.800 0.159 0.000 2.574 463 G HA2 -0.274 3.700 3.960 0.023 0.000 0.282 463 G HA3 -0.274 3.700 3.960 0.023 0.000 0.282 463 G C -0.475 174.598 174.900 0.290 0.000 1.257 463 G CA 0.043 45.233 45.100 0.151 0.000 0.956 463 G HN 0.604 nan 8.290 nan 0.000 0.560 464 H N 0.859 120.042 119.070 0.188 0.000 2.823 464 H HA 0.580 5.149 4.556 0.022 0.000 0.332 464 H C 0.277 175.771 175.328 0.277 0.000 0.980 464 H CA 0.325 56.522 56.048 0.248 0.000 1.286 464 H CB 0.720 30.563 29.762 0.136 0.000 1.541 464 H HN 1.114 nan 8.280 nan 0.000 0.521 465 G N 1.385 110.178 108.800 -0.012 0.000 2.685 465 G HA2 0.470 4.444 3.960 0.023 0.000 0.298 465 G HA3 0.470 4.444 3.960 0.023 0.000 0.298 465 G C 0.547 175.307 174.900 -0.233 0.000 1.277 465 G CA -0.141 44.891 45.100 -0.112 0.000 0.986 465 G HN 0.624 nan 8.290 nan 0.000 0.487 466 A N 0.074 122.827 122.820 -0.112 0.000 2.019 466 A HA -0.077 4.256 4.320 0.023 0.000 0.219 466 A C 2.086 179.625 177.584 -0.075 0.000 1.164 466 A CA 1.863 53.864 52.037 -0.061 0.000 0.644 466 A CB -0.435 18.558 19.000 -0.012 0.000 0.805 466 A HN 0.514 nan 8.150 nan 0.000 0.449 467 N N -0.385 118.230 118.700 -0.143 0.000 2.289 467 N HA -0.122 4.631 4.740 0.023 0.000 0.184 467 N C 1.359 176.752 175.510 -0.195 0.000 1.016 467 N CA 1.572 54.518 53.050 -0.173 0.000 0.872 467 N CB -0.580 37.768 38.487 -0.231 0.000 0.973 467 N HN 0.784 nan 8.380 nan 0.000 0.433 468 H N 0.137 119.110 119.070 -0.161 0.000 2.326 468 H HA 0.001 4.570 4.556 0.022 0.000 0.301 468 H C 1.209 176.536 175.328 -0.002 0.000 1.081 468 H CA 1.231 57.179 56.048 -0.167 0.000 1.334 468 H CB 0.173 29.752 29.762 -0.305 0.000 1.385 468 H HN 0.176 nan 8.280 nan 0.000 0.504 469 D N 0.469 120.945 120.400 0.127 0.000 2.117 469 D HA -0.141 4.513 4.640 0.023 0.000 0.197 469 D C 2.278 178.713 176.300 0.225 0.000 0.987 469 D CA 1.165 55.280 54.000 0.192 0.000 0.829 469 D CB -0.401 40.488 40.800 0.148 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 1.001 123.900 122.820 0.132 0.000 1.858 470 A HA -0.129 4.204 4.320 0.023 0.000 0.216 470 A C 2.439 180.120 177.584 0.162 0.000 1.190 470 A CA 1.008 53.119 52.037 0.123 0.000 0.617 470 A CB -0.851 18.180 19.000 0.051 0.000 0.827 470 A HN 0.194 nan 8.150 nan 0.000 0.443 471 L N -1.932 119.362 121.223 0.118 0.000 2.093 471 L HA -0.170 4.184 4.340 0.023 0.000 0.208 471 L C 2.604 179.610 176.870 0.228 0.000 1.085 471 L CA 1.668 56.586 54.840 0.129 0.000 0.755 471 L CB -0.751 41.312 42.059 0.005 0.000 0.904 471 L HN 0.638 nan 8.230 nan 0.000 0.435 472 Y N 1.413 121.789 120.300 0.127 0.000 2.097 472 Y HA -0.350 4.209 4.550 0.015 0.000 0.282 472 Y C 2.826 178.806 175.900 0.133 0.000 1.152 472 Y CA 1.931 60.115 58.100 0.139 0.000 1.136 472 Y CB -0.233 38.316 38.460 0.148 0.000 0.975 472 Y HN -0.036 nan 8.280 nan 0.000 0.498 473 R N -0.096 120.485 120.500 0.134 0.000 2.120 473 R HA -0.204 4.150 4.340 0.023 0.000 0.234 473 R C 2.020 178.301 176.300 -0.031 0.000 1.123 473 R CA 1.863 57.963 56.100 0.001 0.000 0.975 473 R CB -1.460 28.942 30.300 0.170 0.000 0.866 473 R HN 0.678 nan 8.270 nan 0.000 0.446 474 W N 0.348 121.593 121.300 -0.092 0.000 2.358 474 W HA -0.108 4.567 4.660 0.025 0.000 0.303 474 W C 1.572 177.988 176.519 -0.171 0.000 1.208 474 W CA 1.814 59.093 57.345 -0.110 0.000 1.274 474 W CB -0.192 29.209 29.460 -0.097 0.000 1.138 474 W HN 0.077 nan 8.180 nan 0.000 0.515 475 I N 0.836 121.363 120.570 -0.071 0.000 2.163 475 I HA -0.338 3.845 4.170 0.023 0.000 0.240 475 I C 2.448 178.340 176.117 -0.375 0.000 1.081 475 I CA 1.334 62.447 61.300 -0.312 0.000 1.353 475 I CB -0.740 37.155 38.000 -0.175 0.000 1.054 475 I HN -0.152 nan 8.210 nan 0.000 0.407 476 K N 0.352 120.548 120.400 -0.340 0.000 2.160 476 K HA -0.184 4.150 4.320 0.023 0.000 0.206 476 K C 2.258 178.706 176.600 -0.252 0.000 1.047 476 K CA 1.509 57.623 56.287 -0.290 0.000 0.930 476 K CB -0.550 31.726 32.500 -0.374 0.000 0.720 476 K HN 0.266 nan 8.250 nan 0.000 0.450 477 S N 0.818 116.327 115.700 -0.318 0.000 2.362 477 S HA -0.078 4.405 4.470 0.023 0.000 0.221 477 S C 2.015 176.388 174.600 -0.378 0.000 1.032 477 S CA 1.108 59.127 58.200 -0.302 0.000 0.973 477 S CB -0.091 62.934 63.200 -0.291 0.000 0.849 477 S HN 0.176 nan 8.310 nan 0.000 0.465 478 V N -0.612 118.931 119.914 -0.618 0.000 2.951 478 V HA 0.259 4.392 4.120 0.023 0.000 0.255 478 V C 0.245 176.094 176.094 -0.409 0.000 1.088 478 V CA 1.379 63.316 62.300 -0.605 0.000 1.109 478 V CB -0.427 30.793 31.823 -1.005 0.000 0.724 478 V HN 0.466 nan 8.190 nan 0.000 0.471 479 D N 0.785 120.990 120.400 -0.326 0.000 2.328 479 D HA 0.351 5.005 4.640 0.023 0.000 0.243 479 D C -1.921 174.348 176.300 -0.051 0.000 1.324 479 D CA -1.553 52.363 54.000 -0.140 0.000 0.966 479 D CB 1.788 42.577 40.800 -0.018 0.000 1.324 479 D HN 0.184 nan 8.370 nan 0.000 0.549 480 P HA -0.032 nan 4.420 nan 0.000 0.241 480 P C 0.949 178.261 177.300 0.021 0.000 1.191 480 P CA 0.287 63.373 63.100 -0.024 0.000 0.771 480 P CB 0.281 31.960 31.700 -0.036 0.000 0.929 481 S N -0.813 114.908 115.700 0.034 0.000 2.522 481 S HA 0.048 4.531 4.470 0.023 0.000 0.227 481 S C 0.964 175.590 174.600 0.044 0.000 0.986 481 S CA -0.176 58.051 58.200 0.045 0.000 0.929 481 S CB -0.414 62.806 63.200 0.033 0.000 0.769 481 S HN 0.118 nan 8.310 nan 0.000 0.529 482 R N 1.271 121.812 120.500 0.069 0.000 2.621 482 R HA 0.544 4.898 4.340 0.023 0.000 0.292 482 R C -3.230 173.128 176.300 0.095 0.000 0.969 482 R CA -2.279 53.833 56.100 0.020 0.000 0.887 482 R CB 1.484 31.676 30.300 -0.179 0.000 1.180 482 R HN 0.159 nan 8.270 nan 0.000 0.450 483 P HA 0.109 nan 4.420 nan 0.000 0.272 483 P C -0.775 176.635 177.300 0.183 0.000 1.230 483 P CA -0.415 62.753 63.100 0.114 0.000 0.788 483 P CB 0.740 32.490 31.700 0.083 0.000 0.949 484 V N 2.456 122.513 119.914 0.238 0.000 2.581 484 V HA 0.485 4.619 4.120 0.023 0.000 0.303 484 V C 0.136 176.427 176.094 0.328 0.000 1.041 484 V CA -0.277 62.215 62.300 0.320 0.000 0.907 484 V CB 1.309 33.313 31.823 0.302 0.000 0.994 484 V HN 0.643 nan 8.190 nan 0.000 0.442 485 Q N 3.457 123.435 119.800 0.296 0.000 2.456 485 Q HA 0.791 5.145 4.340 0.023 0.000 0.283 485 Q C -1.980 174.202 176.000 0.302 0.000 1.084 485 Q CA -0.918 55.027 55.803 0.236 0.000 0.801 485 Q CB 2.968 31.787 28.738 0.136 0.000 1.434 485 Q HN 0.635 nan 8.270 nan 0.000 0.419 486 Y N 0.202 120.540 120.300 0.063 0.000 2.409 486 Y HA 0.164 4.726 4.550 0.021 0.000 0.321 486 Y C -0.673 175.209 175.900 -0.031 0.000 1.209 486 Y CA -0.774 57.337 58.100 0.019 0.000 1.086 486 Y CB 2.050 40.518 38.460 0.013 0.000 1.320 486 Y HN 0.949 nan 8.280 nan 0.000 0.440 487 E N 3.269 123.005 120.200 -0.774 0.000 2.318 487 E HA 0.146 4.510 4.350 0.023 0.000 0.193 487 E C 0.650 176.828 176.600 -0.704 0.000 0.998 487 E CA 0.711 56.763 56.400 -0.581 0.000 0.859 487 E CB 0.271 29.767 29.700 -0.340 0.000 0.812 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.133 107.838 108.800 -1.382 0.000 2.474 488 G HA2 0.230 4.204 3.960 0.023 0.000 0.233 488 G HA3 0.230 4.204 3.960 0.023 0.000 0.233 488 G C 0.815 175.594 174.900 -0.201 0.000 1.278 488 G CA 0.296 45.002 45.100 -0.656 0.000 0.861 488 G HN 0.331 nan 8.290 nan 0.000 0.567 489 G N -0.463 108.317 108.800 -0.034 0.000 2.153 489 G HA2 0.225 4.198 3.960 0.023 0.000 0.252 489 G HA3 0.225 4.198 3.960 0.023 0.000 0.252 489 G C 1.250 176.147 174.900 -0.004 0.000 0.994 489 G CA 1.016 46.144 45.100 0.046 0.000 0.698 489 G HN 2.615 nan 8.290 nan 0.000 0.521 490 G N -1.590 107.211 108.800 0.002 0.000 2.205 490 G HA2 0.442 4.415 3.960 0.023 0.000 0.180 490 G HA3 0.442 4.415 3.960 0.023 0.000 0.180 490 G C 1.080 176.108 174.900 0.214 0.000 1.004 490 G CA 1.251 46.415 45.100 0.107 0.000 0.670 490 G HN 2.320 nan 8.290 nan 0.000 0.496 491 A N -0.156 122.676 122.820 0.020 0.000 3.413 491 A HA -0.122 4.212 4.320 0.023 0.000 0.268 491 A C 1.133 178.669 177.584 -0.081 0.000 1.128 491 A CA 2.680 54.672 52.037 -0.076 0.000 1.062 491 A CB -1.747 17.181 19.000 -0.119 0.000 1.121 491 A HN 2.104 nan 8.150 nan 0.000 0.895 492 D N -1.221 119.209 120.400 0.050 0.000 2.712 492 D HA 0.280 4.934 4.640 0.023 0.000 0.300 492 D C 0.450 176.749 176.300 -0.002 0.000 1.521 492 D CA 0.852 54.883 54.000 0.052 0.000 0.790 492 D CB -1.221 39.744 40.800 0.275 0.000 1.155 492 D HN 0.819 nan 8.370 nan 0.000 0.456 493 T N -2.088 112.406 114.554 -0.100 0.000 2.652 493 T HA 0.154 4.518 4.350 0.023 0.000 0.319 493 T C 1.580 176.177 174.700 -0.171 0.000 1.029 493 T CA 0.651 62.609 62.100 -0.237 0.000 0.990 493 T CB 0.570 69.063 68.868 -0.624 0.000 1.098 493 T HN 0.099 nan 8.240 nan 0.000 0.520 494 T N -2.890 111.555 114.554 -0.183 0.000 3.160 494 T HA 0.302 4.666 4.350 0.023 0.000 0.257 494 T C 1.440 175.936 174.700 -0.339 0.000 1.147 494 T CA 0.155 62.160 62.100 -0.158 0.000 1.064 494 T CB -0.432 68.401 68.868 -0.058 0.000 0.949 494 T HN 0.826 nan 8.240 nan 0.000 0.526 495 A N 0.495 123.200 122.820 -0.192 0.000 2.507 495 A HA 0.536 4.869 4.320 0.023 0.000 0.270 495 A C 0.732 178.213 177.584 -0.171 0.000 1.318 495 A CA -0.354 51.517 52.037 -0.276 0.000 0.924 495 A CB 0.017 19.159 19.000 0.237 0.000 1.061 495 A HN 0.423 nan 8.150 nan 0.000 0.516 496 T N -1.286 113.151 114.554 -0.195 0.000 2.993 496 T HA 0.337 4.701 4.350 0.023 0.000 0.312 496 T C -0.702 174.027 174.700 0.049 0.000 1.115 496 T CA -0.456 61.667 62.100 0.038 0.000 1.027 496 T CB 1.186 70.077 68.868 0.038 0.000 1.116 496 T HN 0.114 nan 8.240 nan 0.000 0.464 497 D N 2.983 123.487 120.400 0.174 0.000 2.349 497 D HA 0.246 4.900 4.640 0.023 0.000 0.215 497 D C 0.390 176.728 176.300 0.063 0.000 1.016 497 D CA 0.660 54.746 54.000 0.144 0.000 0.870 497 D CB 0.531 41.447 40.800 0.193 0.000 0.917 497 D HN 0.538 nan 8.370 nan 0.000 0.524 498 I N 1.109 121.700 120.570 0.035 0.000 2.498 498 I HA 0.253 4.436 4.170 0.023 0.000 0.290 498 I C -0.131 175.929 176.117 -0.094 0.000 1.032 498 I CA -0.876 60.409 61.300 -0.025 0.000 1.073 498 I CB 2.811 40.806 38.000 -0.008 0.000 1.251 498 I HN -0.356 nan 8.210 nan 0.000 0.426 499 I N 5.733 126.200 120.570 -0.172 0.000 2.494 499 I HA 0.029 4.213 4.170 0.023 0.000 0.289 499 I C 0.268 176.183 176.117 -0.337 0.000 1.106 499 I CA -0.009 61.092 61.300 -0.332 0.000 1.369 499 I CB 0.035 37.733 38.000 -0.503 0.000 1.410 499 I HN 0.684 nan 8.210 nan 0.000 0.523 500 C N 5.867 124.992 119.300 -0.292 0.000 2.987 500 C HA 0.445 4.919 4.460 0.023 0.000 0.262 500 C C -1.868 172.991 174.990 -0.219 0.000 1.531 500 C CA -2.329 56.562 59.018 -0.210 0.000 1.571 500 C CB -1.181 26.494 27.740 -0.107 0.000 2.381 500 C HN 0.447 nan 8.230 nan 0.000 0.519 501 P HA 0.237 nan 4.420 nan 0.000 0.271 501 P C -0.485 176.778 177.300 -0.060 0.000 1.233 501 P CA 0.487 63.488 63.100 -0.165 0.000 0.789 501 P CB 0.820 32.394 31.700 -0.209 0.000 0.951 502 M N 0.325 119.936 119.600 0.019 0.000 2.181 502 M HA 0.414 4.907 4.480 0.023 0.000 0.323 502 M C -0.879 175.462 176.300 0.068 0.000 1.004 502 M CA -0.721 54.512 55.300 -0.112 0.000 0.941 502 M CB 1.331 33.902 32.600 -0.049 0.000 1.579 502 M HN 0.255 nan 8.290 nan 0.000 0.427 503 Y N -0.307 120.177 120.300 0.308 0.000 4.668 503 Y HA -0.219 4.345 4.550 0.024 0.000 0.234 503 Y C 0.630 176.717 175.900 0.311 0.000 1.056 503 Y CA 0.637 58.921 58.100 0.307 0.000 2.025 503 Y CB -2.409 36.216 38.460 0.275 0.000 1.613 503 Y HN 0.986 nan 8.280 nan 0.000 0.653 504 A N 1.111 124.150 122.820 0.365 0.000 2.462 504 A HA 0.510 4.844 4.320 0.023 0.000 0.243 504 A C 0.820 178.628 177.584 0.374 0.000 1.076 504 A CA -0.304 51.960 52.037 0.377 0.000 0.773 504 A CB 0.337 19.599 19.000 0.436 0.000 1.010 504 A HN 0.397 nan 8.150 nan 0.000 0.493 505 R N 1.431 122.089 120.500 0.263 0.000 2.546 505 R HA 0.345 4.698 4.340 0.023 0.000 0.266 505 R C 1.068 177.372 176.300 0.007 0.000 1.086 505 R CA -0.735 55.459 56.100 0.156 0.000 1.160 505 R CB 0.696 31.047 30.300 0.084 0.000 1.138 505 R HN 0.492 nan 8.270 nan 0.000 0.567 506 V N 0.763 120.521 119.914 -0.261 0.000 2.270 506 V HA -0.223 3.911 4.120 0.023 0.000 0.245 506 V C 1.003 176.993 176.094 -0.173 0.000 1.043 506 V CA 1.920 64.021 62.300 -0.332 0.000 1.014 506 V CB -0.274 31.213 31.823 -0.561 0.000 0.645 506 V HN 0.766 nan 8.190 nan 0.000 0.447 507 D N -1.456 118.869 120.400 -0.124 0.000 2.470 507 D HA 0.083 4.736 4.640 0.023 0.000 0.238 507 D C 0.996 177.285 176.300 -0.018 0.000 1.054 507 D CA 0.031 53.992 54.000 -0.066 0.000 0.896 507 D CB 0.584 41.346 40.800 -0.063 0.000 1.118 507 D HN 0.513 nan 8.370 nan 0.000 0.497 508 E N 2.109 122.302 120.200 -0.013 0.000 2.229 508 E HA 0.087 4.451 4.350 0.023 0.000 0.283 508 E C -0.772 175.833 176.600 0.009 0.000 1.030 508 E CA -0.520 55.881 56.400 0.001 0.000 0.836 508 E CB 0.898 30.598 29.700 -0.000 0.000 1.068 508 E HN -0.170 nan 8.360 nan 0.000 0.401 509 D N 3.888 124.293 120.400 0.008 0.000 2.313 509 D HA 0.122 4.775 4.640 0.023 0.000 0.247 509 D C -0.527 175.668 176.300 -0.176 0.000 1.094 509 D CA 0.094 54.087 54.000 -0.012 0.000 0.925 509 D CB 1.275 42.142 40.800 0.111 0.000 1.188 509 D HN 0.460 nan 8.370 nan 0.000 0.430 510 Q N 1.343 120.922 119.800 -0.368 0.000 2.932 510 Q HA 0.222 4.576 4.340 0.023 0.000 0.248 510 Q C -2.180 173.237 176.000 -0.972 0.000 0.982 510 Q CA -1.495 53.890 55.803 -0.696 0.000 0.730 510 Q CB 2.154 30.460 28.738 -0.718 0.000 1.249 510 Q HN 0.182 nan 8.270 nan 0.000 0.476 511 P HA -0.053 nan 4.420 nan 0.000 0.237 511 P C -0.686 176.322 177.300 -0.487 0.000 1.701 511 P CA 0.010 62.700 63.100 -0.684 0.000 0.955 511 P CB -0.518 30.978 31.700 -0.341 0.000 1.937 512 F N 1.581 121.346 119.950 -0.308 0.000 2.563 512 F HA 0.167 4.707 4.527 0.022 0.000 0.363 512 F C -1.344 174.343 175.800 -0.189 0.000 1.123 512 F CA -2.167 55.716 58.000 -0.194 0.000 1.307 512 F CB -1.109 37.798 39.000 -0.154 0.000 1.115 512 F HN 0.064 nan 8.300 nan 0.000 0.592 513 P HA 0.227 nan 4.420 nan 0.000 0.268 513 P C 0.270 177.580 177.300 0.016 0.000 1.204 513 P CA 1.305 64.418 63.100 0.022 0.000 0.768 513 P CB 1.086 32.801 31.700 0.025 0.000 0.842 514 A N 2.791 125.614 122.820 0.005 0.000 2.070 514 A HA -0.249 4.085 4.320 0.023 0.000 0.231 514 A C 0.761 178.347 177.584 0.003 0.000 0.501 514 A CA 2.031 54.074 52.037 0.011 0.000 1.119 514 A CB -2.686 16.323 19.000 0.014 0.000 1.430 514 A HN 0.653 nan 8.150 nan 0.000 0.706 515 V N -2.517 117.395 119.914 -0.003 0.000 2.361 515 V HA 0.582 4.716 4.120 0.023 0.000 0.252 515 V C -2.171 173.910 176.094 -0.021 0.000 0.986 515 V CA -1.225 61.074 62.300 -0.002 0.000 1.033 515 V CB 0.600 32.426 31.823 0.005 0.000 1.282 515 V HN 0.581 nan 8.190 nan 0.000 0.514 516 P HA 0.302 nan 4.420 nan 0.000 0.275 516 P C -0.683 176.193 177.300 -0.707 0.000 1.228 516 P CA -0.049 62.693 63.100 -0.598 0.000 0.786 516 P CB 1.229 32.186 31.700 -1.238 0.000 0.927 517 K N 2.765 122.829 120.400 -0.560 0.000 2.419 517 K HA 0.205 4.539 4.320 0.023 0.000 0.244 517 K C -0.408 175.938 176.600 -0.424 0.000 1.045 517 K CA -0.294 55.842 56.287 -0.251 0.000 1.004 517 K CB 0.376 32.976 32.500 0.166 0.000 1.376 517 K HN 0.477 nan 8.250 nan 0.000 0.460 518 W N 1.518 122.523 121.300 -0.492 0.000 2.126 518 W HA 0.033 4.706 4.660 0.023 0.000 0.346 518 W C 1.255 177.796 176.519 0.038 0.000 1.279 518 W CA -0.613 56.541 57.345 -0.319 0.000 1.259 518 W CB 0.426 29.537 29.460 -0.583 0.000 1.133 518 W HN 0.400 nan 8.180 nan 0.000 0.592 519 S N 2.420 118.285 115.700 0.275 0.000 2.560 519 S HA -0.006 4.478 4.470 0.023 0.000 0.284 519 S C 1.020 175.783 174.600 0.271 0.000 1.327 519 S CA -0.305 58.010 58.200 0.191 0.000 1.055 519 S CB 0.334 63.584 63.200 0.082 0.000 0.868 519 S HN 0.568 nan 8.310 nan 0.000 0.506 520 I N 0.061 120.760 120.570 0.215 0.000 2.264 520 I HA -0.190 3.993 4.170 0.023 0.000 0.248 520 I C 2.054 178.216 176.117 0.074 0.000 1.111 520 I CA 1.274 62.692 61.300 0.197 0.000 1.382 520 I CB -0.533 37.527 38.000 0.100 0.000 1.060 520 I HN 0.620 nan 8.210 nan 0.000 0.418 521 K N 1.534 121.883 120.400 -0.085 0.000 2.097 521 K HA -0.173 4.161 4.320 0.023 0.000 0.205 521 K C 2.288 178.912 176.600 0.041 0.000 1.050 521 K CA 1.763 57.932 56.287 -0.198 0.000 0.938 521 K CB -0.210 32.093 32.500 -0.328 0.000 0.718 521 K HN 0.421 nan 8.250 nan 0.000 0.442 522 K N 0.264 120.705 120.400 0.067 0.000 2.103 522 K HA -0.156 4.178 4.320 0.023 0.000 0.204 522 K C 1.917 178.561 176.600 0.074 0.000 1.052 522 K CA 0.721 57.032 56.287 0.041 0.000 0.945 522 K CB -0.075 32.418 32.500 -0.012 0.000 0.722 522 K HN 0.190 nan 8.250 nan 0.000 0.443 523 W N 2.169 123.474 121.300 0.008 0.000 2.321 523 W HA -0.212 4.460 4.660 0.020 0.000 0.306 523 W C 1.611 178.126 176.519 -0.007 0.000 1.217 523 W CA 1.254 58.615 57.345 0.027 0.000 1.257 523 W CB -0.596 28.944 29.460 0.134 0.000 1.145 523 W HN 0.116 nan 8.180 nan 0.000 0.509 524 L N 0.683 122.074 121.223 0.280 0.000 2.042 524 L HA -0.248 4.106 4.340 0.023 0.000 0.210 524 L C 2.290 179.231 176.870 0.119 0.000 1.076 524 L CA 2.029 56.967 54.840 0.164 0.000 0.749 524 L CB -1.042 41.105 42.059 0.146 0.000 0.893 524 L HN -0.034 nan 8.230 nan 0.000 0.432 525 S N -1.192 114.562 115.700 0.090 0.000 2.597 525 S HA 0.240 4.724 4.470 0.023 0.000 0.224 525 S C 0.566 175.156 174.600 -0.017 0.000 0.955 525 S CA -0.500 57.721 58.200 0.035 0.000 0.933 525 S CB -0.526 62.693 63.200 0.031 0.000 0.788 525 S HN 0.155 nan 8.310 nan 0.000 0.488 526 L N 2.109 123.313 121.223 -0.032 0.000 2.514 526 L HA 0.220 4.573 4.340 0.023 0.000 0.280 526 L C -2.220 174.617 176.870 -0.055 0.000 1.223 526 L CA -1.716 53.056 54.840 -0.113 0.000 0.864 526 L CB -0.336 41.630 42.059 -0.156 0.000 1.118 526 L HN 0.018 nan 8.230 nan 0.000 0.494 527 P HA -0.069 nan 4.420 nan 0.000 0.257 527 P C 0.770 178.061 177.300 -0.016 0.000 1.162 527 P CA 1.259 64.334 63.100 -0.041 0.000 0.762 527 P CB 0.423 32.092 31.700 -0.052 0.000 0.753 528 G N 2.010 110.809 108.800 -0.002 0.000 2.253 528 G HA2 -0.271 3.703 3.960 0.023 0.000 0.251 528 G HA3 -0.271 3.703 3.960 0.023 0.000 0.251 528 G C 0.300 175.215 174.900 0.025 0.000 0.998 528 G CA 0.064 45.170 45.100 0.011 0.000 0.621 528 G HN 0.610 nan 8.290 nan 0.000 0.524 529 E N 1.195 121.416 120.200 0.036 0.000 2.338 529 E HA 0.577 4.941 4.350 0.023 0.000 0.272 529 E C 1.381 178.008 176.600 0.043 0.000 1.029 529 E CA 0.825 57.260 56.400 0.058 0.000 0.872 529 E CB 0.825 30.588 29.700 0.106 0.000 1.015 529 E HN 0.590 nan 8.360 nan 0.000 0.417 530 T N 0.533 115.110 114.554 0.037 0.000 3.046 530 T HA 0.302 4.666 4.350 0.023 0.000 0.270 530 T C 0.540 175.251 174.700 0.019 0.000 0.920 530 T CA -0.452 61.664 62.100 0.026 0.000 0.874 530 T CB 0.068 68.951 68.868 0.023 0.000 1.214 530 T HN 0.266 nan 8.240 nan 0.000 0.536 531 R N 2.658 123.167 120.500 0.014 0.000 2.679 531 R HA 0.413 4.767 4.340 0.023 0.000 0.269 531 R C -2.397 173.888 176.300 -0.026 0.000 1.076 531 R CA -1.604 54.494 56.100 -0.003 0.000 1.160 531 R CB 0.066 30.359 30.300 -0.011 0.000 1.054 531 R HN 0.293 nan 8.270 nan 0.000 0.507 532 P HA 0.091 nan 4.420 nan 0.000 0.276 532 P C -1.068 176.167 177.300 -0.108 0.000 1.252 532 P CA -0.188 62.875 63.100 -0.062 0.000 0.802 532 P CB 0.810 32.474 31.700 -0.059 0.000 1.035 533 L N 2.181 123.320 121.223 -0.140 0.000 2.372 533 L HA 0.554 4.908 4.340 0.023 0.000 0.274 533 L C -0.943 175.785 176.870 -0.238 0.000 0.988 533 L CA -0.686 54.032 54.840 -0.204 0.000 0.833 533 L CB 0.564 42.497 42.059 -0.211 0.000 1.236 533 L HN 0.236 nan 8.230 nan 0.000 0.410 534 I N 5.990 126.425 120.570 -0.224 0.000 2.468 534 I HA 0.248 4.431 4.170 0.023 0.000 0.284 534 I C -0.680 175.341 176.117 -0.161 0.000 1.038 534 I CA -0.597 60.560 61.300 -0.239 0.000 1.083 534 I CB 1.882 39.804 38.000 -0.130 0.000 1.223 534 I HN 0.491 nan 8.210 nan 0.000 0.443 535 L N 5.628 126.718 121.223 -0.221 0.000 2.513 535 L HA 0.004 4.358 4.340 0.023 0.000 0.272 535 L C 1.532 178.463 176.870 0.101 0.000 1.187 535 L CA -0.177 54.595 54.840 -0.112 0.000 0.895 535 L CB 0.481 42.431 42.059 -0.182 0.000 1.147 535 L HN 0.839 nan 8.230 nan 0.000 0.483 536 C N 0.221 119.576 119.300 0.091 0.000 2.468 536 C HA 0.155 4.629 4.460 0.023 0.000 0.277 536 C C 0.649 175.794 174.990 0.258 0.000 1.400 536 C CA -0.221 58.898 59.018 0.168 0.000 1.770 536 C CB -1.088 26.671 27.740 0.031 0.000 1.905 536 C HN 0.831 nan 8.230 nan 0.000 0.519 537 E N -0.741 119.549 120.200 0.150 0.000 2.335 537 E HA 0.607 4.971 4.350 0.023 0.000 0.280 537 E C -1.410 175.122 176.600 -0.113 0.000 0.918 537 E CA -0.388 56.084 56.400 0.119 0.000 0.765 537 E CB 2.217 31.896 29.700 -0.035 0.000 1.218 537 E HN 0.563 nan 8.360 nan 0.000 0.425 538 Y N -0.958 119.268 120.300 -0.124 0.000 2.741 538 Y HA 0.562 5.126 4.550 0.024 0.000 0.339 538 Y C -0.958 175.067 175.900 0.209 0.000 1.226 538 Y CA -0.781 57.251 58.100 -0.115 0.000 1.072 538 Y CB 0.402 38.691 38.460 -0.284 0.000 1.331 538 Y HN 0.697 nan 8.280 nan 0.000 0.453 539 A N 2.012 124.840 122.820 0.015 0.000 2.303 539 A HA -0.247 4.087 4.320 0.023 0.000 0.286 539 A C -0.164 177.542 177.584 0.204 0.000 1.429 539 A CA 1.100 53.176 52.037 0.065 0.000 0.738 539 A CB -2.518 16.421 19.000 -0.102 0.000 1.149 539 A HN 1.261 nan 8.150 nan 0.000 0.364 540 H N 0.601 119.847 119.070 0.293 0.000 3.184 540 H HA 0.244 4.814 4.556 0.022 0.000 0.274 540 H C 1.096 176.504 175.328 0.132 0.000 0.962 540 H CA 0.934 57.164 56.048 0.305 0.000 1.441 540 H CB 0.520 30.370 29.762 0.146 0.000 1.518 540 H HN 0.799 nan 8.280 nan 0.000 0.539 541 A N 5.075 127.814 122.820 -0.135 0.000 2.840 541 A HA 0.347 4.680 4.320 0.023 0.000 0.269 541 A C 0.919 178.395 177.584 -0.181 0.000 1.439 541 A CA 0.077 52.026 52.037 -0.145 0.000 1.083 541 A CB -0.524 18.381 19.000 -0.160 0.000 1.019 541 A HN 0.724 nan 8.150 nan 0.000 0.607 542 A N 0.333 123.051 122.820 -0.169 0.000 2.395 542 A HA 0.542 4.875 4.320 0.023 0.000 0.286 542 A C 1.395 178.892 177.584 -0.144 0.000 1.193 542 A CA 0.556 52.526 52.037 -0.112 0.000 0.852 542 A CB -0.906 18.141 19.000 0.079 0.000 1.118 542 A HN 2.192 nan 8.150 nan 0.000 0.524 543 G N 2.517 111.195 108.800 -0.203 0.000 2.550 543 G HA2 -0.314 3.660 3.960 0.023 0.000 0.277 543 G HA3 -0.314 3.660 3.960 0.023 0.000 0.277 543 G C 0.428 174.873 174.900 -0.758 0.000 1.190 543 G CA 0.225 45.023 45.100 -0.503 0.000 0.971 543 G HN 1.111 nan 8.290 nan 0.000 0.559 544 N N 1.552 119.625 118.700 -1.044 0.000 2.498 544 N HA 0.438 5.191 4.740 0.023 0.000 0.277 544 N C 0.057 175.332 175.510 -0.392 0.000 1.208 544 N CA 1.150 53.749 53.050 -0.753 0.000 1.029 544 N CB 0.256 38.312 38.487 -0.718 0.000 1.403 544 N HN 0.744 nan 8.380 nan 0.000 0.500 545 S N 1.753 117.307 115.700 -0.243 0.000 2.998 545 S HA 0.607 5.090 4.470 0.023 0.000 0.323 545 S C -0.020 174.528 174.600 -0.088 0.000 1.141 545 S CA -0.374 57.741 58.200 -0.142 0.000 0.873 545 S CB 0.285 63.433 63.200 -0.087 0.000 1.315 545 S HN 0.350 nan 8.310 nan 0.000 0.637 546 L N 0.158 121.365 121.223 -0.028 0.000 4.406 546 L HA -0.050 4.304 4.340 0.023 0.000 0.406 546 L C 0.404 177.327 176.870 0.087 0.000 1.133 546 L CA 0.908 55.759 54.840 0.017 0.000 0.974 546 L CB -1.750 40.230 42.059 -0.132 0.000 2.152 546 L HN 0.698 nan 8.230 nan 0.000 0.736 547 G N -0.870 107.952 108.800 0.037 0.000 2.378 547 G HA2 0.510 4.484 3.960 0.023 0.000 0.255 547 G HA3 0.510 4.484 3.960 0.023 0.000 0.255 547 G C 1.191 176.139 174.900 0.080 0.000 1.270 547 G CA 0.166 45.261 45.100 -0.009 0.000 0.876 547 G HN 1.386 nan 8.290 nan 0.000 0.521 548 G N 1.661 110.507 108.800 0.076 0.000 2.175 548 G HA2 -0.311 3.663 3.960 0.023 0.000 0.244 548 G HA3 -0.311 3.663 3.960 0.023 0.000 0.244 548 G C 0.989 176.069 174.900 0.300 0.000 0.982 548 G CA 0.699 45.894 45.100 0.160 0.000 0.641 548 G HN 0.766 nan 8.290 nan 0.000 0.527 549 F N 1.902 121.978 119.950 0.209 0.000 2.126 549 F HA 0.114 4.655 4.527 0.023 0.000 0.299 549 F C 2.688 178.703 175.800 0.358 0.000 1.096 549 F CA 2.603 60.800 58.000 0.329 0.000 1.255 549 F CB -0.469 38.663 39.000 0.219 0.000 0.997 549 F HN 0.352 nan 8.300 nan 0.000 0.479 550 A N -0.366 122.628 122.820 0.290 0.000 2.024 550 A HA -0.251 4.083 4.320 0.023 0.000 0.220 550 A C 2.280 179.891 177.584 0.046 0.000 1.164 550 A CA 1.805 53.940 52.037 0.163 0.000 0.643 550 A CB -0.834 18.267 19.000 0.169 0.000 0.806 550 A HN 0.483 nan 8.150 nan 0.000 0.451 551 K N -1.698 118.707 120.400 0.009 0.000 2.097 551 K HA -0.163 4.171 4.320 0.023 0.000 0.205 551 K C 1.704 178.082 176.600 -0.369 0.000 1.050 551 K CA 1.496 57.700 56.287 -0.138 0.000 0.938 551 K CB -0.309 32.103 32.500 -0.146 0.000 0.718 551 K HN 0.514 nan 8.250 nan 0.000 0.442 552 Y N -0.682 119.355 120.300 -0.439 0.000 2.145 552 Y HA -0.233 4.330 4.550 0.022 0.000 0.286 552 Y C 1.907 176.835 175.900 -1.619 0.000 1.145 552 Y CA 1.689 59.169 58.100 -1.034 0.000 1.148 552 Y CB -0.410 37.465 38.460 -0.975 0.000 0.981 552 Y HN 0.187 nan 8.280 nan 0.000 0.507 553 W N -0.242 120.626 121.300 -0.720 0.000 2.425 553 W HA -0.142 4.532 4.660 0.024 0.000 0.277 553 W C 2.561 178.915 176.519 -0.276 0.000 1.231 553 W CA 1.234 58.298 57.345 -0.468 0.000 1.248 553 W CB -0.432 28.844 29.460 -0.308 0.000 1.117 553 W HN 0.032 nan 8.180 nan 0.000 0.568 554 Q N 0.883 120.612 119.800 -0.118 0.000 2.119 554 Q HA -0.133 4.221 4.340 0.023 0.000 0.201 554 Q C 2.154 178.097 176.000 -0.095 0.000 0.972 554 Q CA 1.972 57.740 55.803 -0.059 0.000 0.847 554 Q CB -0.532 28.180 28.738 -0.044 0.000 0.903 554 Q HN 0.261 nan 8.270 nan 0.000 0.433 555 A N 0.167 122.834 122.820 -0.254 0.000 1.873 555 A HA -0.116 4.217 4.320 0.023 0.000 0.215 555 A C 1.837 179.373 177.584 -0.080 0.000 1.186 555 A CA 1.153 53.050 52.037 -0.234 0.000 0.616 555 A CB -0.813 17.925 19.000 -0.436 0.000 0.823 555 A HN 0.359 nan 8.150 nan 0.000 0.442 556 F N 0.325 120.107 119.950 -0.280 0.000 2.126 556 F HA -0.135 4.406 4.527 0.023 0.000 0.299 556 F C 2.509 178.217 175.800 -0.154 0.000 1.096 556 F CA 1.272 59.077 58.000 -0.326 0.000 1.255 556 F CB -0.838 37.758 39.000 -0.674 0.000 0.997 556 F HN 0.186 nan 8.300 nan 0.000 0.479 557 R N -0.280 120.282 120.500 0.104 0.000 2.148 557 R HA -0.131 4.223 4.340 0.023 0.000 0.223 557 R C 2.120 178.463 176.300 0.072 0.000 1.088 557 R CA 1.030 57.175 56.100 0.074 0.000 0.985 557 R CB -0.406 29.932 30.300 0.065 0.000 0.880 557 R HN 0.399 nan 8.270 nan 0.000 0.451 558 Q N -0.247 119.627 119.800 0.124 0.000 2.212 558 Q HA -0.042 4.312 4.340 0.023 0.000 0.199 558 Q C -0.459 175.623 176.000 0.136 0.000 0.950 558 Q CA 0.818 56.703 55.803 0.138 0.000 0.863 558 Q CB 0.417 29.278 28.738 0.205 0.000 0.944 558 Q HN 0.166 nan 8.270 nan 0.000 0.465 559 Y N 0.253 120.540 120.300 -0.021 0.000 2.385 559 Y HA 0.279 4.842 4.550 0.021 0.000 0.341 559 Y C -1.808 174.069 175.900 -0.037 0.000 0.965 559 Y CA -2.915 55.171 58.100 -0.023 0.000 1.180 559 Y CB 1.371 39.824 38.460 -0.013 0.000 1.139 559 Y HN 0.121 nan 8.280 nan 0.000 0.502 560 P HA -0.181 nan 4.420 nan 0.000 0.215 560 P C 1.126 178.425 177.300 -0.000 0.000 1.157 560 P CA 1.920 65.021 63.100 0.001 0.000 0.874 560 P CB 0.311 31.996 31.700 -0.026 0.000 0.790 561 R N -1.233 119.286 120.500 0.032 0.000 2.307 561 R HA 0.105 4.458 4.340 0.023 0.000 0.199 561 R C 0.433 176.715 176.300 -0.030 0.000 1.000 561 R CA 0.128 56.230 56.100 0.004 0.000 1.023 561 R CB -0.417 29.898 30.300 0.024 0.000 0.908 561 R HN 0.245 nan 8.270 nan 0.000 0.473 562 L N 1.995 123.216 121.223 -0.003 0.000 2.302 562 L HA 0.145 4.498 4.340 0.023 0.000 0.285 562 L C 0.399 177.114 176.870 -0.258 0.000 1.090 562 L CA 0.119 54.904 54.840 -0.091 0.000 0.866 562 L CB 1.117 43.199 42.059 0.038 0.000 1.244 562 L HN 0.067 nan 8.230 nan 0.000 0.435 563 Q N 2.868 122.448 119.800 -0.367 0.000 2.237 563 Q HA 0.305 4.659 4.340 0.023 0.000 0.252 563 Q C 0.880 176.454 176.000 -0.709 0.000 0.877 563 Q CA 0.093 55.638 55.803 -0.430 0.000 1.011 563 Q CB 0.916 29.497 28.738 -0.261 0.000 1.118 563 Q HN 0.949 nan 8.270 nan 0.000 0.458 564 G N -0.286 107.677 108.800 -1.395 0.000 2.466 564 G HA2 0.050 4.023 3.960 0.023 0.000 0.218 564 G HA3 0.050 4.023 3.960 0.023 0.000 0.218 564 G C -0.135 173.913 174.900 -1.421 0.000 1.237 564 G CA -0.708 43.247 45.100 -1.908 0.000 0.954 564 G HN 0.690 nan 8.290 nan 0.000 0.580 565 G N -2.384 105.887 108.800 -0.881 0.000 2.315 565 G HA2 0.612 4.585 3.960 0.023 0.000 0.294 565 G HA3 0.612 4.585 3.960 0.023 0.000 0.294 565 G C -1.771 173.016 174.900 -0.189 0.000 1.300 565 G CA -0.116 44.681 45.100 -0.504 0.000 0.843 565 G HN 1.235 nan 8.290 nan 0.000 0.527 566 F N 0.631 120.783 119.950 0.336 0.000 2.427 566 F HA 0.549 5.089 4.527 0.021 0.000 0.348 566 F C 0.796 176.892 175.800 0.494 0.000 1.125 566 F CA -0.787 57.464 58.000 0.418 0.000 0.989 566 F CB 1.991 41.136 39.000 0.242 0.000 1.165 566 F HN 0.267 nan 8.300 nan 0.000 0.442 567 V N 3.283 123.496 119.914 0.497 0.000 2.872 567 V HA -0.113 4.021 4.120 0.023 0.000 0.307 567 V C -0.333 175.895 176.094 0.223 0.000 1.072 567 V CA -0.231 62.149 62.300 0.133 0.000 1.148 567 V CB 0.803 32.718 31.823 0.154 0.000 0.954 567 V HN 0.769 nan 8.190 nan 0.000 0.490 568 W N 6.407 127.766 121.300 0.097 0.000 2.336 568 W HA 0.468 5.141 4.660 0.022 0.000 0.315 568 W C -0.915 175.571 176.519 -0.055 0.000 1.016 568 W CA -0.725 56.698 57.345 0.130 0.000 1.318 568 W CB 1.382 31.062 29.460 0.366 0.000 1.247 568 W HN 0.929 nan 8.180 nan 0.000 0.414 569 D N 2.507 122.592 120.400 -0.524 0.000 3.158 569 D HA 0.123 4.776 4.640 0.023 0.000 0.314 569 D C 0.693 176.775 176.300 -0.364 0.000 1.308 569 D CA -0.463 53.114 54.000 -0.704 0.000 1.001 569 D CB 0.213 40.027 40.800 -1.644 0.000 1.389 569 D HN 0.368 nan 8.370 nan 0.000 0.595 570 W N 0.284 121.268 121.300 -0.526 0.000 2.452 570 W HA 0.224 4.898 4.660 0.023 0.000 0.313 570 W C -0.120 176.176 176.519 -0.372 0.000 1.176 570 W CA 0.982 58.076 57.345 -0.418 0.000 1.350 570 W CB 0.415 29.653 29.460 -0.371 0.000 1.148 570 W HN 0.136 nan 8.180 nan 0.000 0.498 571 V N 2.709 122.376 119.914 -0.412 0.000 2.709 571 V HA 0.246 4.380 4.120 0.023 0.000 0.308 571 V C -0.839 175.064 176.094 -0.317 0.000 1.062 571 V CA -0.811 61.210 62.300 -0.466 0.000 0.901 571 V CB 1.525 33.181 31.823 -0.278 0.000 1.003 571 V HN -0.097 nan 8.190 nan 0.000 0.425 572 D N 4.137 124.351 120.400 -0.310 0.000 2.488 572 D HA 0.078 4.731 4.640 0.023 0.000 0.238 572 D C 0.277 176.438 176.300 -0.233 0.000 1.138 572 D CA 0.660 54.541 54.000 -0.198 0.000 0.873 572 D CB 0.874 41.648 40.800 -0.044 0.000 1.183 572 D HN 0.610 nan 8.370 nan 0.000 0.458 573 Q N 1.104 120.692 119.800 -0.354 0.000 3.122 573 Q HA 0.130 4.484 4.340 0.023 0.000 0.360 573 Q C -0.111 175.844 176.000 -0.074 0.000 1.300 573 Q CA -0.314 55.044 55.803 -0.741 0.000 0.982 573 Q CB 0.106 28.522 28.738 -0.537 0.000 1.534 573 Q HN 0.359 nan 8.270 nan 0.000 0.474 574 S N -0.243 115.542 115.700 0.141 0.000 2.617 574 S HA 0.677 5.161 4.470 0.023 0.000 0.283 574 S C -0.162 174.597 174.600 0.266 0.000 1.189 574 S CA -0.790 57.589 58.200 0.298 0.000 1.036 574 S CB 1.483 64.838 63.200 0.258 0.000 1.014 574 S HN 0.311 nan 8.310 nan 0.000 0.522 575 L N 1.571 122.864 121.223 0.117 0.000 2.333 575 L HA 0.546 4.900 4.340 0.023 0.000 0.269 575 L C -0.494 176.272 176.870 -0.172 0.000 1.010 575 L CA -1.222 53.569 54.840 -0.082 0.000 0.818 575 L CB 1.430 43.325 42.059 -0.273 0.000 1.306 575 L HN 0.546 nan 8.230 nan 0.000 0.430 576 I N 2.227 122.637 120.570 -0.267 0.000 2.371 576 I HA 0.297 4.480 4.170 0.023 0.000 0.290 576 I C 0.049 175.741 176.117 -0.709 0.000 1.028 576 I CA -0.090 60.916 61.300 -0.490 0.000 1.345 576 I CB 0.961 38.690 38.000 -0.451 0.000 1.407 576 I HN 0.575 nan 8.210 nan 0.000 0.501 577 K N 5.543 125.266 120.400 -1.129 0.000 2.395 577 K HA 0.586 4.920 4.320 0.023 0.000 0.247 577 K C -1.570 174.304 176.600 -1.210 0.000 0.973 577 K CA -0.716 54.857 56.287 -1.190 0.000 0.828 577 K CB 2.507 34.019 32.500 -1.646 0.000 1.272 577 K HN 0.245 nan 8.250 nan 0.000 0.439 578 Y N 0.759 120.866 120.300 -0.322 0.000 2.409 578 Y HA 0.148 4.712 4.550 0.023 0.000 0.343 578 Y C 0.161 176.152 175.900 0.152 0.000 0.973 578 Y CA -1.125 56.948 58.100 -0.044 0.000 1.064 578 Y CB 1.267 39.698 38.460 -0.048 0.000 1.207 578 Y HN 0.679 nan 8.280 nan 0.000 0.452 579 D N 0.010 120.651 120.400 0.402 0.000 2.447 579 D HA 0.030 4.684 4.640 0.023 0.000 0.265 579 D C 0.960 177.360 176.300 0.167 0.000 1.250 579 D CA -0.403 53.764 54.000 0.278 0.000 1.046 579 D CB 0.424 41.333 40.800 0.182 0.000 1.095 579 D HN 0.734 nan 8.370 nan 0.000 0.555 580 E N -0.340 119.919 120.200 0.099 0.000 2.171 580 E HA -0.291 4.072 4.350 0.023 0.000 0.197 580 E C 0.962 177.594 176.600 0.052 0.000 0.997 580 E CA 1.095 57.530 56.400 0.058 0.000 0.810 580 E CB -0.556 29.163 29.700 0.031 0.000 0.738 580 E HN 0.356 nan 8.360 nan 0.000 0.467 581 N N 0.574 119.313 118.700 0.065 0.000 2.494 581 N HA -0.012 4.742 4.740 0.023 0.000 0.182 581 N C 1.261 176.810 175.510 0.065 0.000 1.076 581 N CA 1.131 54.215 53.050 0.055 0.000 0.908 581 N CB 0.802 39.323 38.487 0.056 0.000 0.967 581 N HN 0.504 nan 8.380 nan 0.000 0.449 582 G N 0.752 109.614 108.800 0.103 0.000 2.157 582 G HA2 -0.233 3.741 3.960 0.023 0.000 0.239 582 G HA3 -0.233 3.741 3.960 0.023 0.000 0.239 582 G C -0.213 174.821 174.900 0.223 0.000 0.982 582 G CA -0.425 44.736 45.100 0.102 0.000 0.650 582 G HN 0.265 nan 8.290 nan 0.000 0.527 583 N N 2.316 121.152 118.700 0.226 0.000 2.470 583 N HA 0.369 5.122 4.740 0.023 0.000 0.268 583 N C -2.320 173.357 175.510 0.278 0.000 1.136 583 N CA -0.780 52.407 53.050 0.228 0.000 0.961 583 N CB 1.628 40.212 38.487 0.163 0.000 1.067 583 N HN 0.266 nan 8.380 nan 0.000 0.468 584 P HA 0.229 nan 4.420 nan 0.000 0.278 584 P C -0.516 176.777 177.300 -0.012 0.000 1.238 584 P CA -0.313 62.703 63.100 -0.139 0.000 0.794 584 P CB 0.731 32.325 31.700 -0.177 0.000 0.955 585 W N -0.116 120.985 121.300 -0.331 0.000 3.107 585 W HA 0.441 5.115 4.660 0.023 0.000 0.331 585 W C -1.459 174.897 176.519 -0.272 0.000 1.204 585 W CA -1.131 56.027 57.345 -0.311 0.000 1.184 585 W CB 0.442 29.537 29.460 -0.608 0.000 1.421 585 W HN 0.128 nan 8.180 nan 0.000 0.544 586 S N 1.593 117.358 115.700 0.108 0.000 2.474 586 S HA 0.595 5.079 4.470 0.023 0.000 0.276 586 S C 0.146 174.875 174.600 0.214 0.000 1.227 586 S CA -0.250 57.999 58.200 0.080 0.000 1.050 586 S CB 0.851 64.159 63.200 0.179 0.000 0.939 586 S HN 0.609 nan 8.310 nan 0.000 0.490 587 A N 2.972 125.786 122.820 -0.009 0.000 2.330 587 A HA 0.914 5.247 4.320 0.023 0.000 0.329 587 A C -0.759 177.059 177.584 0.391 0.000 1.135 587 A CA -0.760 51.332 52.037 0.092 0.000 0.817 587 A CB 0.752 19.529 19.000 -0.372 0.000 1.269 587 A HN 0.835 nan 8.150 nan 0.000 0.469 588 Y N -0.975 119.642 120.300 0.527 0.000 3.048 588 Y HA 0.767 5.331 4.550 0.023 0.000 0.305 588 Y C 0.721 177.007 175.900 0.643 0.000 1.538 588 Y CA -1.354 57.069 58.100 0.537 0.000 1.082 588 Y CB -0.138 38.474 38.460 0.253 0.000 1.388 588 Y HN 0.906 nan 8.280 nan 0.000 0.557 589 G N -0.184 109.032 108.800 0.693 0.000 2.265 589 G HA2 0.365 4.338 3.960 0.023 0.000 0.240 589 G HA3 0.365 4.338 3.960 0.023 0.000 0.240 589 G C 0.945 176.187 174.900 0.571 0.000 1.270 589 G CA 0.439 45.859 45.100 0.534 0.000 0.901 589 G HN 1.967 nan 8.290 nan 0.000 0.507 590 G N 2.112 111.211 108.800 0.498 0.000 2.195 590 G HA2 -0.253 3.721 3.960 0.023 0.000 0.246 590 G HA3 -0.253 3.721 3.960 0.023 0.000 0.246 590 G C 0.775 175.880 174.900 0.342 0.000 0.984 590 G CA 0.574 45.902 45.100 0.381 0.000 0.633 590 G HN 0.644 nan 8.290 nan 0.000 0.525 591 D N -0.373 120.260 120.400 0.389 0.000 2.349 591 D HA 0.226 4.879 4.640 0.023 0.000 0.224 591 D C 1.047 177.249 176.300 -0.162 0.000 1.029 591 D CA 0.307 54.373 54.000 0.111 0.000 0.879 591 D CB -0.110 40.697 40.800 0.010 0.000 0.906 591 D HN 0.441 nan 8.370 nan 0.000 0.528 592 F N -0.643 119.418 119.950 0.186 0.000 2.698 592 F HA 0.304 4.845 4.527 0.023 0.000 0.304 592 F C 1.770 177.646 175.800 0.127 0.000 1.108 592 F CA -0.289 57.783 58.000 0.119 0.000 1.263 592 F CB 0.801 39.864 39.000 0.106 0.000 1.013 592 F HN -0.044 nan 8.300 nan 0.000 0.532 593 G N 0.379 109.330 108.800 0.251 0.000 2.179 593 G HA2 -0.284 3.690 3.960 0.023 0.000 0.260 593 G HA3 -0.284 3.690 3.960 0.023 0.000 0.260 593 G C -0.091 174.939 174.900 0.218 0.000 0.977 593 G CA 0.179 45.395 45.100 0.192 0.000 0.641 593 G HN 0.422 nan 8.290 nan 0.000 0.533 594 D N 0.438 121.015 120.400 0.296 0.000 2.425 594 D HA 0.489 5.142 4.640 0.023 0.000 0.247 594 D C 0.083 176.503 176.300 0.201 0.000 1.147 594 D CA 1.037 55.200 54.000 0.272 0.000 0.879 594 D CB 1.555 42.574 40.800 0.365 0.000 1.179 594 D HN 0.402 nan 8.370 nan 0.000 0.456 595 T N 1.246 115.888 114.554 0.147 0.000 3.087 595 T HA 0.403 4.767 4.350 0.023 0.000 0.351 595 T C -2.782 171.956 174.700 0.063 0.000 1.520 595 T CA -1.094 61.063 62.100 0.095 0.000 1.111 595 T CB 0.975 69.899 68.868 0.093 0.000 1.353 595 T HN 0.235 nan 8.240 nan 0.000 0.481 596 P HA 0.491 nan 4.420 nan 0.000 0.271 596 P C -0.995 176.290 177.300 -0.026 0.000 1.233 596 P CA -0.256 62.840 63.100 -0.007 0.000 0.789 596 P CB 0.338 32.010 31.700 -0.046 0.000 0.951 597 N N -1.669 117.008 118.700 -0.039 0.000 2.610 597 N HA 0.283 5.036 4.740 0.023 0.000 0.264 597 N C -1.227 174.211 175.510 -0.120 0.000 1.348 597 N CA -0.762 52.238 53.050 -0.083 0.000 0.819 597 N CB 0.968 39.500 38.487 0.076 0.000 1.521 597 N HN 0.085 nan 8.380 nan 0.000 0.497 598 D N 0.133 120.388 120.400 -0.241 0.000 2.643 598 D HA 0.232 4.886 4.640 0.023 0.000 0.244 598 D C 0.281 176.700 176.300 0.198 0.000 1.257 598 D CA -0.166 53.757 54.000 -0.128 0.000 0.831 598 D CB 0.174 40.774 40.800 -0.333 0.000 1.043 598 D HN 0.534 nan 8.370 nan 0.000 0.488 599 R N 0.809 121.474 120.500 0.274 0.000 3.731 599 R HA -0.278 4.075 4.340 0.023 0.000 0.488 599 R C 1.559 177.941 176.300 0.136 0.000 0.241 599 R CA 2.053 58.362 56.100 0.347 0.000 1.531 599 R CB -1.341 29.077 30.300 0.197 0.000 0.923 599 R HN 0.231 nan 8.270 nan 0.000 0.596 600 Q N 1.857 121.407 119.800 -0.417 0.000 2.482 600 Q HA -0.049 4.305 4.340 0.023 0.000 0.209 600 Q C 1.497 177.370 176.000 -0.212 0.000 0.961 600 Q CA 1.253 56.644 55.803 -0.687 0.000 0.945 600 Q CB -0.077 28.078 28.738 -0.972 0.000 1.012 600 Q HN 0.643 nan 8.270 nan 0.000 0.515 601 F N 1.755 121.636 119.950 -0.116 0.000 2.722 601 F HA -0.087 4.454 4.527 0.022 0.000 0.298 601 F C 1.685 177.453 175.800 -0.055 0.000 1.175 601 F CA 0.622 58.628 58.000 0.011 0.000 1.462 601 F CB 0.288 39.360 39.000 0.120 0.000 1.111 601 F HN 0.377 nan 8.300 nan 0.000 0.592 602 C N -0.765 118.224 119.300 -0.519 0.000 2.626 602 C HA 0.313 4.786 4.460 0.023 0.000 0.266 602 C C 0.780 175.526 174.990 -0.407 0.000 1.317 602 C CA -0.580 57.952 59.018 -0.811 0.000 1.716 602 C CB -1.706 25.057 27.740 -1.629 0.000 1.819 602 C HN 0.212 nan 8.230 nan 0.000 0.578 603 M N 2.716 122.147 119.600 -0.281 0.000 2.036 603 M HA 0.300 4.794 4.480 0.023 0.000 0.337 603 M C -0.615 175.579 176.300 -0.178 0.000 1.012 603 M CA 0.331 55.528 55.300 -0.171 0.000 0.962 603 M CB 0.147 32.714 32.600 -0.056 0.000 1.423 603 M HN 0.351 nan 8.290 nan 0.000 0.405 604 N N 0.792 119.364 118.700 -0.214 0.000 2.307 604 N HA 0.205 4.958 4.740 0.023 0.000 0.248 604 N C 0.262 175.585 175.510 -0.311 0.000 1.322 604 N CA -0.533 52.352 53.050 -0.276 0.000 0.861 604 N CB 1.178 39.461 38.487 -0.340 0.000 1.303 604 N HN 0.658 nan 8.380 nan 0.000 0.498 605 G N -0.021 108.585 108.800 -0.324 0.000 2.537 605 G HA2 0.354 4.328 3.960 0.023 0.000 0.273 605 G HA3 0.354 4.328 3.960 0.023 0.000 0.273 605 G C 0.684 175.239 174.900 -0.574 0.000 1.189 605 G CA -0.545 44.268 45.100 -0.478 0.000 0.881 605 G HN 0.130 nan 8.290 nan 0.000 0.535 606 L N 0.013 120.854 121.223 -0.636 0.000 2.341 606 L HA 0.131 4.485 4.340 0.023 0.000 0.214 606 L C 0.935 177.256 176.870 -0.915 0.000 1.115 606 L CA 0.333 54.826 54.840 -0.579 0.000 0.820 606 L CB -0.243 41.563 42.059 -0.421 0.000 0.944 606 L HN 0.400 nan 8.230 nan 0.000 0.452 607 V N -4.823 114.370 119.914 -1.202 0.000 2.914 607 V HA 0.490 4.624 4.120 0.023 0.000 0.314 607 V C -0.164 175.294 176.094 -1.061 0.000 1.084 607 V CA -1.214 60.422 62.300 -1.107 0.000 0.963 607 V CB 1.666 32.913 31.823 -0.961 0.000 1.025 607 V HN -0.158 nan 8.190 nan 0.000 0.432 608 F N 1.885 121.497 119.950 -0.564 0.000 2.480 608 F HA 0.571 5.112 4.527 0.023 0.000 0.319 608 F C 1.934 177.603 175.800 -0.218 0.000 1.230 608 F CA 0.674 58.540 58.000 -0.223 0.000 1.285 608 F CB 0.646 39.626 39.000 -0.033 0.000 1.208 608 F HN 0.784 nan 8.300 nan 0.000 0.579 609 A N 0.576 123.470 122.820 0.122 0.000 1.978 609 A HA -0.207 4.126 4.320 0.023 0.000 0.220 609 A C 1.593 179.149 177.584 -0.046 0.000 1.170 609 A CA 1.876 53.939 52.037 0.043 0.000 0.636 609 A CB -1.006 18.058 19.000 0.107 0.000 0.810 609 A HN 0.770 nan 8.150 nan 0.000 0.448 610 D N -2.952 117.437 120.400 -0.018 0.000 2.328 610 D HA 0.136 4.790 4.640 0.023 0.000 0.226 610 D C 0.614 176.892 176.300 -0.037 0.000 1.066 610 D CA -0.028 53.936 54.000 -0.061 0.000 0.861 610 D CB -0.118 40.654 40.800 -0.047 0.000 0.912 610 D HN 0.183 nan 8.370 nan 0.000 0.521 611 R N -1.636 118.834 120.500 -0.049 0.000 3.919 611 R HA -0.119 4.235 4.340 0.023 0.000 0.412 611 R C -0.462 175.810 176.300 -0.045 0.000 1.102 611 R CA 1.004 57.055 56.100 -0.082 0.000 1.082 611 R CB -3.218 27.075 30.300 -0.012 0.000 1.671 611 R HN 0.234 nan 8.270 nan 0.000 0.540 612 T N 2.195 116.778 114.554 0.048 0.000 2.851 612 T HA 0.344 4.708 4.350 0.023 0.000 0.298 612 T C -2.275 172.497 174.700 0.120 0.000 0.977 612 T CA -0.920 61.249 62.100 0.114 0.000 1.126 612 T CB 1.098 70.062 68.868 0.161 0.000 0.916 612 T HN -0.093 nan 8.240 nan 0.000 0.529 613 P HA 0.109 nan 4.420 nan 0.000 0.269 613 P C -0.193 177.097 177.300 -0.017 0.000 1.215 613 P CA -0.036 63.016 63.100 -0.081 0.000 0.780 613 P CB 0.407 32.088 31.700 -0.032 0.000 0.898 614 H N 2.326 121.201 119.070 -0.324 0.000 2.496 614 H HA 0.158 4.727 4.556 0.023 0.000 0.342 614 H C -1.351 173.857 175.328 -0.201 0.000 1.170 614 H CA -2.105 53.709 56.048 -0.390 0.000 1.274 614 H CB 0.919 30.415 29.762 -0.443 0.000 1.538 614 H HN 0.339 nan 8.280 nan 0.000 0.542 615 P HA -0.197 nan 4.420 nan 0.000 0.217 615 P C 1.078 178.371 177.300 -0.011 0.000 1.148 615 P CA 1.553 64.633 63.100 -0.033 0.000 0.828 615 P CB 0.100 31.783 31.700 -0.028 0.000 0.783 616 A N -0.779 122.036 122.820 -0.008 0.000 2.024 616 A HA -0.188 4.146 4.320 0.023 0.000 0.220 616 A C 2.050 179.583 177.584 -0.084 0.000 1.164 616 A CA 1.211 53.212 52.037 -0.059 0.000 0.643 616 A CB -1.544 17.405 19.000 -0.085 0.000 0.806 616 A HN 0.161 nan 8.150 nan 0.000 0.451 617 L N -0.527 120.665 121.223 -0.052 0.000 2.042 617 L HA -0.138 4.216 4.340 0.023 0.000 0.210 617 L C 2.521 179.433 176.870 0.070 0.000 1.076 617 L CA 2.799 57.642 54.840 0.005 0.000 0.749 617 L CB -1.132 40.921 42.059 -0.010 0.000 0.893 617 L HN 0.376 nan 8.230 nan 0.000 0.432 618 T N -1.570 113.029 114.554 0.074 0.000 2.788 618 T HA -0.218 4.145 4.350 0.023 0.000 0.268 618 T C 1.818 176.622 174.700 0.174 0.000 1.044 618 T CA 1.519 63.715 62.100 0.160 0.000 1.139 618 T CB -0.149 68.790 68.868 0.118 0.000 0.867 618 T HN 0.498 nan 8.240 nan 0.000 0.454 619 E N 0.668 120.910 120.200 0.070 0.000 2.072 619 E HA 0.052 4.416 4.350 0.023 0.000 0.191 619 E C 2.156 178.752 176.600 -0.007 0.000 0.985 619 E CA 1.366 57.807 56.400 0.068 0.000 0.801 619 E CB -0.600 29.103 29.700 0.005 0.000 0.750 619 E HN 0.535 nan 8.360 nan 0.000 0.452 620 A N 1.001 123.701 122.820 -0.201 0.000 1.873 620 A HA -0.203 4.131 4.320 0.023 0.000 0.215 620 A C 2.167 179.638 177.584 -0.187 0.000 1.186 620 A CA 1.834 53.695 52.037 -0.293 0.000 0.616 620 A CB -0.628 18.210 19.000 -0.270 0.000 0.823 620 A HN 0.260 nan 8.150 nan 0.000 0.442 621 K N -1.171 119.200 120.400 -0.048 0.000 2.044 621 K HA -0.309 4.024 4.320 0.023 0.000 0.210 621 K C 2.080 178.583 176.600 -0.161 0.000 1.049 621 K CA 2.132 58.405 56.287 -0.024 0.000 0.927 621 K CB -0.378 32.258 32.500 0.227 0.000 0.713 621 K HN 0.636 nan 8.250 nan 0.000 0.443 622 H N 0.478 119.379 119.070 -0.283 0.000 2.293 622 H HA -0.064 4.506 4.556 0.023 0.000 0.300 622 H C 2.038 177.100 175.328 -0.444 0.000 1.082 622 H CA 1.959 57.660 56.048 -0.579 0.000 1.308 622 H CB -0.017 29.473 29.762 -0.453 0.000 1.375 622 H HN 0.249 nan 8.280 nan 0.000 0.495 623 Q N 0.266 119.825 119.800 -0.402 0.000 2.170 623 Q HA -0.104 4.250 4.340 0.023 0.000 0.203 623 Q C 1.590 177.041 176.000 -0.915 0.000 0.976 623 Q CA 1.302 56.774 55.803 -0.551 0.000 0.858 623 Q CB -0.042 28.526 28.738 -0.284 0.000 0.907 623 Q HN 0.723 nan 8.270 nan 0.000 0.433 624 Q N 0.291 119.506 119.800 -0.975 0.000 2.247 624 Q HA 0.083 4.437 4.340 0.023 0.000 0.205 624 Q C -0.161 175.274 176.000 -0.942 0.000 0.896 624 Q CA -0.210 54.868 55.803 -1.208 0.000 0.950 624 Q CB 0.254 28.311 28.738 -1.135 0.000 1.054 624 Q HN 0.370 nan 8.270 nan 0.000 0.482 625 Q N -0.264 119.135 119.800 -0.667 0.000 2.386 625 Q HA -0.029 4.324 4.340 0.023 0.000 0.282 625 Q C -0.131 175.516 176.000 -0.589 0.000 1.050 625 Q CA 0.311 55.855 55.803 -0.433 0.000 0.918 625 Q CB 0.449 29.028 28.738 -0.264 0.000 1.266 625 Q HN 0.315 nan 8.270 nan 0.000 0.423 626 F N 0.600 120.309 119.950 -0.400 0.000 2.765 626 F HA 0.183 4.723 4.527 0.022 0.000 0.302 626 F C -0.113 175.152 175.800 -0.891 0.000 1.111 626 F CA 0.048 57.576 58.000 -0.786 0.000 1.359 626 F CB 0.442 38.610 39.000 -1.387 0.000 1.097 626 F HN 0.315 nan 8.300 nan 0.000 0.577 627 F N 0.308 120.174 119.950 -0.140 0.000 2.507 627 F HA 0.499 5.040 4.527 0.024 0.000 0.325 627 F C -0.081 175.380 175.800 -0.566 0.000 1.116 627 F CA -1.162 56.662 58.000 -0.293 0.000 0.930 627 F CB 1.313 40.195 39.000 -0.196 0.000 1.146 627 F HN -0.312 nan 8.300 nan 0.000 0.447 628 Q N 2.960 122.490 119.800 -0.451 0.000 2.301 628 Q HA 0.621 4.975 4.340 0.023 0.000 0.267 628 Q C -1.372 174.287 176.000 -0.569 0.000 1.035 628 Q CA -0.662 54.897 55.803 -0.406 0.000 0.856 628 Q CB 2.949 31.595 28.738 -0.154 0.000 1.337 628 Q HN 0.552 nan 8.270 nan 0.000 0.450 629 F N -0.071 120.020 119.950 0.234 0.000 2.588 629 F HA 0.615 5.156 4.527 0.023 0.000 0.314 629 F C 0.202 176.248 175.800 0.410 0.000 1.069 629 F CA -0.903 57.309 58.000 0.354 0.000 0.931 629 F CB 2.049 41.408 39.000 0.599 0.000 1.260 629 F HN 0.121 nan 8.300 nan 0.000 0.465 630 R N 1.534 122.313 120.500 0.465 0.000 2.621 630 R HA 0.645 4.999 4.340 0.023 0.000 0.284 630 R C -2.014 174.267 176.300 -0.032 0.000 0.998 630 R CA -1.157 55.114 56.100 0.285 0.000 0.895 630 R CB 2.974 33.365 30.300 0.152 0.000 1.195 630 R HN 0.557 nan 8.270 nan 0.000 0.450 631 L N 1.175 122.236 121.223 -0.271 0.000 2.307 631 L HA 0.544 4.897 4.340 0.023 0.000 0.284 631 L C -0.849 175.849 176.870 -0.287 0.000 1.023 631 L CA 0.118 54.606 54.840 -0.586 0.000 0.810 631 L CB 1.959 43.261 42.059 -1.261 0.000 1.231 631 L HN 0.561 nan 8.230 nan 0.000 0.423 632 S N 3.873 119.432 115.700 -0.234 0.000 2.775 632 S HA 0.673 5.157 4.470 0.023 0.000 0.277 632 S C 0.299 174.809 174.600 -0.150 0.000 1.156 632 S CA 0.200 58.313 58.200 -0.146 0.000 1.081 632 S CB 0.245 63.390 63.200 -0.092 0.000 1.054 632 S HN 1.560 nan 8.310 nan 0.000 0.482 633 G N 4.625 113.342 108.800 -0.139 0.000 2.602 633 G HA2 -0.291 3.683 3.960 0.023 0.000 0.310 633 G HA3 -0.291 3.683 3.960 0.023 0.000 0.310 633 G C 0.426 175.227 174.900 -0.165 0.000 1.183 633 G CA 0.702 45.726 45.100 -0.127 0.000 0.979 633 G HN 0.673 nan 8.290 nan 0.000 0.545 634 Q N 1.099 120.804 119.800 -0.158 0.000 2.282 634 Q HA 0.192 4.545 4.340 0.023 0.000 0.206 634 Q C 0.322 176.194 176.000 -0.214 0.000 0.878 634 Q CA 0.692 56.378 55.803 -0.194 0.000 0.944 634 Q CB 0.823 29.463 28.738 -0.164 0.000 1.100 634 Q HN 0.536 nan 8.270 nan 0.000 0.509 635 T N 1.561 116.002 114.554 -0.188 0.000 2.744 635 T HA 0.476 4.840 4.350 0.023 0.000 0.291 635 T C 0.266 174.849 174.700 -0.196 0.000 0.957 635 T CA -0.234 61.767 62.100 -0.165 0.000 1.002 635 T CB 1.089 69.891 68.868 -0.110 0.000 0.919 635 T HN 0.029 nan 8.240 nan 0.000 0.468 636 I N 3.008 123.473 120.570 -0.175 0.000 2.321 636 I HA 0.272 4.456 4.170 0.023 0.000 0.291 636 I C 0.597 176.712 176.117 -0.003 0.000 0.998 636 I CA -0.537 60.675 61.300 -0.147 0.000 1.227 636 I CB 1.149 39.082 38.000 -0.112 0.000 1.368 636 I HN 0.590 nan 8.210 nan 0.000 0.466 637 E N 6.665 126.892 120.200 0.044 0.000 2.134 637 E HA 0.412 4.775 4.350 0.023 0.000 0.278 637 E C -1.458 175.239 176.600 0.161 0.000 0.959 637 E CA -0.591 55.858 56.400 0.081 0.000 0.783 637 E CB 1.518 31.248 29.700 0.050 0.000 1.095 637 E HN 0.340 nan 8.360 nan 0.000 0.399 638 V N 4.346 124.342 119.914 0.136 0.000 2.370 638 V HA 0.298 4.431 4.120 0.023 0.000 0.283 638 V C -0.066 176.058 176.094 0.051 0.000 1.023 638 V CA -0.617 61.739 62.300 0.092 0.000 0.857 638 V CB 1.667 33.582 31.823 0.154 0.000 0.985 638 V HN 0.699 nan 8.190 nan 0.000 0.443 639 T N 3.295 117.839 114.554 -0.016 0.000 2.797 639 T HA 0.349 4.713 4.350 0.023 0.000 0.279 639 T C 0.024 174.736 174.700 0.021 0.000 0.991 639 T CA -0.260 61.843 62.100 0.005 0.000 0.979 639 T CB 1.555 70.403 68.868 -0.033 0.000 0.943 639 T HN 0.666 nan 8.240 nan 0.000 0.444 640 S N 1.752 117.476 115.700 0.041 0.000 2.499 640 S HA 0.212 4.696 4.470 0.023 0.000 0.279 640 S C 0.768 175.259 174.600 -0.181 0.000 1.219 640 S CA -0.575 57.589 58.200 -0.061 0.000 1.062 640 S CB 0.543 63.785 63.200 0.071 0.000 0.978 640 S HN 0.715 nan 8.310 nan 0.000 0.489 641 E N 2.976 122.966 120.200 -0.350 0.000 2.476 641 E HA 0.083 4.447 4.350 0.023 0.000 0.196 641 E C -0.793 175.634 176.600 -0.289 0.000 1.029 641 E CA -0.085 56.137 56.400 -0.297 0.000 0.896 641 E CB 0.298 29.799 29.700 -0.331 0.000 1.012 641 E HN 0.658 nan 8.360 nan 0.000 0.475 642 Y N 0.434 120.614 120.300 -0.200 0.000 2.397 642 Y HA 0.021 4.585 4.550 0.022 0.000 0.335 642 Y C 1.395 177.124 175.900 -0.285 0.000 1.213 642 Y CA 0.338 58.317 58.100 -0.201 0.000 1.391 642 Y CB 0.670 38.993 38.460 -0.228 0.000 1.293 642 Y HN -0.056 nan 8.280 nan 0.000 0.557 643 L N 1.098 122.147 121.223 -0.290 0.000 2.515 643 L HA 0.062 4.415 4.340 0.023 0.000 0.223 643 L C 0.602 176.992 176.870 -0.800 0.000 1.079 643 L CA 0.489 54.910 54.840 -0.699 0.000 0.857 643 L CB 0.037 41.394 42.059 -1.172 0.000 1.050 643 L HN 0.553 nan 8.230 nan 0.000 0.476 644 F N -0.518 119.439 119.950 0.011 0.000 2.699 644 F HA 0.218 4.758 4.527 0.021 0.000 0.295 644 F C 1.233 177.025 175.800 -0.013 0.000 1.052 644 F CA -0.733 57.254 58.000 -0.023 0.000 1.239 644 F CB 0.087 39.057 39.000 -0.051 0.000 1.018 644 F HN -0.129 nan 8.300 nan 0.000 0.627 645 R N 0.455 121.006 120.500 0.084 0.000 2.540 645 R HA 0.413 4.767 4.340 0.023 0.000 0.287 645 R C -0.590 175.716 176.300 0.010 0.000 0.980 645 R CA -0.544 55.570 56.100 0.024 0.000 0.966 645 R CB 0.764 30.968 30.300 -0.160 0.000 1.106 645 R HN 0.134 nan 8.270 nan 0.000 0.480 646 H N 0.525 119.588 119.070 -0.011 0.000 2.508 646 H HA 0.077 4.646 4.556 0.023 0.000 0.358 646 H C 0.136 175.491 175.328 0.045 0.000 1.212 646 H CA -0.190 55.884 56.048 0.043 0.000 1.356 646 H CB 1.630 31.421 29.762 0.047 0.000 1.525 646 H HN 0.764 nan 8.280 nan 0.000 0.578 647 S N 1.068 116.918 115.700 0.250 0.000 4.120 647 S HA -0.053 4.430 4.470 0.023 0.000 0.215 647 S C 0.407 175.107 174.600 0.166 0.000 1.347 647 S CA -0.744 57.611 58.200 0.258 0.000 0.889 647 S CB -0.642 62.771 63.200 0.354 0.000 1.585 647 S HN 0.599 nan 8.310 nan 0.000 0.447 648 D N 0.941 121.411 120.400 0.117 0.000 2.336 648 D HA 0.044 4.698 4.640 0.023 0.000 0.228 648 D C 0.284 176.620 176.300 0.061 0.000 1.120 648 D CA -0.257 53.790 54.000 0.077 0.000 0.839 648 D CB -0.365 40.465 40.800 0.049 0.000 0.932 648 D HN 0.525 nan 8.370 nan 0.000 0.509 649 N N 0.089 118.837 118.700 0.081 0.000 2.605 649 N HA 0.120 4.873 4.740 0.023 0.000 0.265 649 N C -1.599 173.972 175.510 0.103 0.000 1.625 649 N CA -0.159 52.934 53.050 0.072 0.000 0.862 649 N CB 0.344 38.865 38.487 0.056 0.000 1.415 649 N HN -0.074 nan 8.380 nan 0.000 0.513 650 E N -0.083 120.172 120.200 0.092 0.000 2.321 650 E HA 0.552 4.915 4.350 0.023 0.000 0.278 650 E C -1.568 175.062 176.600 0.049 0.000 0.902 650 E CA -0.760 55.686 56.400 0.076 0.000 0.758 650 E CB 2.068 31.792 29.700 0.040 0.000 1.213 650 E HN 0.265 nan 8.360 nan 0.000 0.426 651 L N 0.220 121.477 121.223 0.056 0.000 2.422 651 L HA 0.714 5.068 4.340 0.023 0.000 0.264 651 L C -1.714 175.213 176.870 0.096 0.000 0.984 651 L CA -1.010 53.873 54.840 0.070 0.000 0.819 651 L CB 1.135 43.240 42.059 0.077 0.000 1.330 651 L HN 0.484 nan 8.230 nan 0.000 0.410 652 L N 3.411 124.704 121.223 0.118 0.000 2.289 652 L HA 0.533 4.887 4.340 0.023 0.000 0.285 652 L C -0.644 176.355 176.870 0.216 0.000 1.049 652 L CA 0.237 55.180 54.840 0.172 0.000 0.804 652 L CB 0.554 42.725 42.059 0.186 0.000 1.195 652 L HN 0.866 nan 8.230 nan 0.000 0.428 653 H N 6.092 125.238 119.070 0.125 0.000 2.466 653 H HA 0.354 4.924 4.556 0.023 0.000 0.338 653 H C -1.582 173.837 175.328 0.152 0.000 1.091 653 H CA -0.627 55.463 56.048 0.071 0.000 1.207 653 H CB 0.974 30.738 29.762 0.003 0.000 1.466 653 H HN 0.761 nan 8.280 nan 0.000 0.493 654 W N 5.129 126.232 121.300 -0.329 0.000 2.781 654 W HA 0.596 5.269 4.660 0.023 0.000 0.345 654 W C -1.810 174.600 176.519 -0.181 0.000 1.085 654 W CA -1.296 55.979 57.345 -0.117 0.000 1.198 654 W CB 1.396 30.819 29.460 -0.061 0.000 1.423 654 W HN 0.504 nan 8.180 nan 0.000 0.532 655 M N 3.016 122.778 119.600 0.270 0.000 2.365 655 M HA 0.519 5.013 4.480 0.023 0.000 0.287 655 M C -2.432 174.056 176.300 0.313 0.000 1.154 655 M CA -0.666 54.717 55.300 0.139 0.000 0.941 655 M CB 1.952 34.630 32.600 0.130 0.000 1.704 655 M HN 0.223 nan 8.290 nan 0.000 0.479 656 V N 3.996 124.081 119.914 0.286 0.000 2.448 656 V HA 1.006 5.140 4.120 0.023 0.000 0.295 656 V C -0.441 175.765 176.094 0.187 0.000 1.025 656 V CA -0.342 62.127 62.300 0.280 0.000 0.859 656 V CB 1.142 33.148 31.823 0.305 0.000 0.988 656 V HN 1.037 nan 8.190 nan 0.000 0.431 657 A N 4.498 127.440 122.820 0.203 0.000 2.435 657 A HA 0.891 5.225 4.320 0.023 0.000 0.304 657 A C -1.407 176.301 177.584 0.206 0.000 1.064 657 A CA -0.651 51.475 52.037 0.148 0.000 0.727 657 A CB 1.736 20.782 19.000 0.076 0.000 1.284 657 A HN 0.814 nan 8.150 nan 0.000 0.415 658 L N 1.757 123.069 121.223 0.148 0.000 2.264 658 L HA 0.466 4.820 4.340 0.023 0.000 0.287 658 L C -0.558 176.413 176.870 0.168 0.000 1.039 658 L CA 0.250 55.191 54.840 0.169 0.000 0.829 658 L CB 0.049 42.172 42.059 0.107 0.000 1.211 658 L HN 0.750 nan 8.230 nan 0.000 0.427 659 D N 4.876 125.446 120.400 0.283 0.000 2.704 659 D HA -0.213 4.441 4.640 0.023 0.000 0.232 659 D C 1.177 177.502 176.300 0.042 0.000 1.183 659 D CA 1.394 55.549 54.000 0.259 0.000 0.647 659 D CB -1.024 39.900 40.800 0.206 0.000 1.013 659 D HN 1.145 nan 8.370 nan 0.000 0.415 660 G N -0.596 108.181 108.800 -0.039 0.000 2.268 660 G HA2 -0.369 3.605 3.960 0.023 0.000 0.240 660 G HA3 -0.369 3.605 3.960 0.023 0.000 0.240 660 G C 0.318 175.132 174.900 -0.143 0.000 1.010 660 G CA 0.444 45.416 45.100 -0.212 0.000 0.618 660 G HN 0.484 nan 8.290 nan 0.000 0.516 661 K N 2.071 122.438 120.400 -0.055 0.000 2.285 661 K HA 0.460 4.794 4.320 0.023 0.000 0.286 661 K C -2.610 173.983 176.600 -0.012 0.000 1.072 661 K CA -1.755 54.508 56.287 -0.040 0.000 0.913 661 K CB 1.320 33.812 32.500 -0.013 0.000 1.067 661 K HN 0.100 nan 8.250 nan 0.000 0.479 662 P HA -0.042 nan 4.420 nan 0.000 0.267 662 P C -0.127 177.178 177.300 0.009 0.000 1.205 662 P CA -0.012 63.080 63.100 -0.013 0.000 0.765 662 P CB 0.595 32.269 31.700 -0.043 0.000 0.828 663 L N 2.054 123.300 121.223 0.038 0.000 2.600 663 L HA 0.493 4.847 4.340 0.023 0.000 0.213 663 L C 0.909 177.810 176.870 0.053 0.000 1.045 663 L CA 0.732 55.602 54.840 0.050 0.000 0.863 663 L CB -1.228 40.877 42.059 0.077 0.000 1.189 663 L HN 0.330 nan 8.230 nan 0.000 0.484 664 A N -0.532 122.329 122.820 0.070 0.000 2.606 664 A HA 0.758 5.092 4.320 0.023 0.000 0.293 664 A C -0.674 176.780 177.584 -0.217 0.000 1.082 664 A CA 0.224 52.288 52.037 0.046 0.000 0.685 664 A CB 1.815 20.988 19.000 0.289 0.000 1.284 664 A HN 0.164 nan 8.150 nan 0.000 0.408 665 S N -0.743 114.536 115.700 -0.702 0.000 2.611 665 S HA 0.950 5.433 4.470 0.023 0.000 0.268 665 S C -0.282 173.299 174.600 -1.697 0.000 1.156 665 S CA 0.001 57.354 58.200 -1.412 0.000 0.817 665 S CB 1.029 63.833 63.200 -0.661 0.000 1.122 665 S HN 2.660 nan 8.310 nan 0.000 0.466 666 G N -0.076 107.501 108.800 -2.039 0.000 2.430 666 G HA2 0.625 4.599 3.960 0.023 0.000 0.300 666 G HA3 0.625 4.599 3.960 0.023 0.000 0.300 666 G C -2.324 172.126 174.900 -0.750 0.000 1.330 666 G CA -0.366 44.119 45.100 -1.024 0.000 0.813 666 G HN 1.249 nan 8.290 nan 0.000 0.487 667 E N -1.485 118.638 120.200 -0.128 0.000 2.363 667 E HA 0.590 4.953 4.350 0.023 0.000 0.281 667 E C -1.819 174.860 176.600 0.132 0.000 0.953 667 E CA -0.962 55.458 56.400 0.033 0.000 0.778 667 E CB 2.358 32.074 29.700 0.026 0.000 1.220 667 E HN 0.537 nan 8.360 nan 0.000 0.431 668 V N 1.944 121.953 119.914 0.158 0.000 2.709 668 V HA 0.428 4.562 4.120 0.023 0.000 0.308 668 V C -2.439 173.715 176.094 0.100 0.000 1.062 668 V CA -2.110 60.264 62.300 0.125 0.000 0.901 668 V CB 1.878 33.778 31.823 0.128 0.000 1.003 668 V HN 0.658 nan 8.190 nan 0.000 0.425 669 P HA 0.238 nan 4.420 nan 0.000 0.268 669 P C -0.672 176.667 177.300 0.066 0.000 1.205 669 P CA -0.069 63.071 63.100 0.068 0.000 0.771 669 P CB 0.523 32.258 31.700 0.059 0.000 0.858 670 L N 3.087 124.343 121.223 0.055 0.000 2.312 670 L HA 0.334 4.688 4.340 0.023 0.000 0.281 670 L C 0.398 177.315 176.870 0.078 0.000 1.070 670 L CA 0.212 55.080 54.840 0.046 0.000 0.805 670 L CB 0.781 42.820 42.059 -0.034 0.000 1.174 670 L HN 0.358 nan 8.230 nan 0.000 0.434 671 D N 3.032 123.490 120.400 0.097 0.000 2.621 671 D HA 0.236 4.890 4.640 0.023 0.000 0.274 671 D C -1.412 174.974 176.300 0.143 0.000 1.215 671 D CA -0.063 54.011 54.000 0.123 0.000 0.810 671 D CB 1.195 42.055 40.800 0.100 0.000 1.248 671 D HN 0.097 nan 8.370 nan 0.000 0.517 672 V N 1.526 121.544 119.914 0.172 0.000 2.495 672 V HA 0.886 5.019 4.120 0.023 0.000 0.298 672 V C -0.128 176.013 176.094 0.078 0.000 1.031 672 V CA -0.449 61.940 62.300 0.149 0.000 0.871 672 V CB 1.388 33.331 31.823 0.201 0.000 0.988 672 V HN 0.492 nan 8.190 nan 0.000 0.432 673 A N 8.732 131.512 122.820 -0.067 0.000 2.332 673 A HA 0.746 5.080 4.320 0.023 0.000 0.258 673 A C -2.431 174.981 177.584 -0.286 0.000 1.087 673 A CA -1.544 50.192 52.037 -0.501 0.000 0.802 673 A CB 0.099 18.853 19.000 -0.410 0.000 1.042 673 A HN 0.770 nan 8.150 nan 0.000 0.489 674 P HA -0.021 nan 4.420 nan 0.000 0.262 674 P C -0.524 176.702 177.300 -0.124 0.000 1.182 674 P CA 0.728 63.736 63.100 -0.152 0.000 0.761 674 P CB 0.698 32.307 31.700 -0.152 0.000 0.795 675 Q N -1.062 118.680 119.800 -0.096 0.000 2.324 675 Q HA -0.158 4.195 4.340 0.023 0.000 0.200 675 Q C 0.826 176.795 176.000 -0.052 0.000 0.645 675 Q CA 1.900 57.653 55.803 -0.084 0.000 1.377 675 Q CB -2.567 26.117 28.738 -0.091 0.000 1.486 675 Q HN 0.779 nan 8.270 nan 0.000 0.796 676 G N 0.230 109.006 108.800 -0.039 0.000 2.543 676 G HA2 0.542 4.515 3.960 0.023 0.000 0.290 676 G HA3 0.542 4.515 3.960 0.023 0.000 0.290 676 G C -0.209 174.704 174.900 0.021 0.000 1.310 676 G CA -0.464 44.630 45.100 -0.010 0.000 1.025 676 G HN 0.005 nan 8.290 nan 0.000 0.502 677 K N -0.732 119.687 120.400 0.032 0.000 2.435 677 K HA 0.479 4.812 4.320 0.023 0.000 0.251 677 K C -0.984 175.649 176.600 0.056 0.000 0.954 677 K CA -0.654 55.659 56.287 0.045 0.000 0.820 677 K CB 2.661 35.178 32.500 0.029 0.000 1.292 677 K HN 0.519 nan 8.250 nan 0.000 0.436 678 Q N 2.220 122.060 119.800 0.066 0.000 2.331 678 Q HA 0.433 4.787 4.340 0.023 0.000 0.272 678 Q C -1.704 174.330 176.000 0.056 0.000 1.062 678 Q CA -0.713 55.129 55.803 0.065 0.000 0.806 678 Q CB 1.664 30.451 28.738 0.082 0.000 1.312 678 Q HN 0.525 nan 8.270 nan 0.000 0.431 679 L N 4.871 126.116 121.223 0.036 0.000 2.296 679 L HA 0.555 4.908 4.340 0.023 0.000 0.286 679 L C -0.631 176.243 176.870 0.007 0.000 1.023 679 L CA -0.586 54.264 54.840 0.016 0.000 0.812 679 L CB 1.394 43.453 42.059 0.000 0.000 1.223 679 L HN 0.571 nan 8.230 nan 0.000 0.421 680 I N 2.786 123.352 120.570 -0.007 0.000 2.382 680 I HA 0.228 4.411 4.170 0.023 0.000 0.285 680 I C -0.234 175.825 176.117 -0.097 0.000 1.007 680 I CA -0.588 60.694 61.300 -0.029 0.000 1.142 680 I CB 1.889 39.889 38.000 -0.000 0.000 1.289 680 I HN 0.505 nan 8.210 nan 0.000 0.453 681 E N 6.505 126.645 120.200 -0.100 0.000 2.223 681 E HA 0.362 4.726 4.350 0.023 0.000 0.282 681 E C -0.837 175.633 176.600 -0.216 0.000 1.046 681 E CA -0.179 56.136 56.400 -0.141 0.000 0.857 681 E CB 0.810 30.452 29.700 -0.096 0.000 1.055 681 E HN 0.433 nan 8.360 nan 0.000 0.409 682 L N 6.467 127.498 121.223 -0.320 0.000 2.371 682 L HA 0.354 4.708 4.340 0.023 0.000 0.272 682 L C -1.828 174.837 176.870 -0.341 0.000 1.124 682 L CA -1.985 52.548 54.840 -0.511 0.000 0.816 682 L CB 0.775 42.415 42.059 -0.699 0.000 1.129 682 L HN 0.483 nan 8.230 nan 0.000 0.448 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.525 176.703 177.300 -0.119 0.000 1.223 683 P CA -0.380 62.645 63.100 -0.125 0.000 0.785 683 P CB 0.407 32.106 31.700 -0.002 0.000 0.923 684 E N 2.076 122.240 120.200 -0.060 0.000 2.415 684 E HA 0.037 4.401 4.350 0.023 0.000 0.263 684 E C -0.995 175.596 176.600 -0.015 0.000 0.995 684 E CA 0.327 56.700 56.400 -0.046 0.000 0.915 684 E CB 0.068 29.752 29.700 -0.027 0.000 0.951 684 E HN 0.325 nan 8.360 nan 0.000 0.449 685 L N 7.256 128.470 121.223 -0.016 0.000 2.322 685 L HA 0.378 4.732 4.340 0.023 0.000 0.281 685 L C -1.952 174.932 176.870 0.024 0.000 1.014 685 L CA -2.243 52.612 54.840 0.026 0.000 0.815 685 L CB 1.861 43.942 42.059 0.036 0.000 1.247 685 L HN 0.383 nan 8.230 nan 0.000 0.421 686 P HA 0.035 nan 4.420 nan 0.000 0.266 686 P C -0.909 176.408 177.300 0.028 0.000 1.215 686 P CA -0.425 62.691 63.100 0.027 0.000 0.763 686 P CB 0.759 32.477 31.700 0.031 0.000 0.806 687 Q N 4.936 124.746 119.800 0.018 0.000 2.304 687 Q HA 0.106 4.460 4.340 0.023 0.000 0.301 687 Q C -1.546 174.468 176.000 0.023 0.000 1.063 687 Q CA -0.558 55.255 55.803 0.017 0.000 0.947 687 Q CB -0.900 27.843 28.738 0.009 0.000 1.201 687 Q HN 0.462 nan 8.270 nan 0.000 0.389 688 P HA -0.012 nan 4.420 nan 0.000 0.270 688 P C -0.314 177.002 177.300 0.027 0.000 1.223 688 P CA -0.158 62.962 63.100 0.033 0.000 0.785 688 P CB 1.030 32.755 31.700 0.042 0.000 0.923 689 E N 0.694 120.910 120.200 0.027 0.000 2.021 689 E HA -0.018 4.345 4.350 0.023 0.000 0.191 689 E C 1.072 177.687 176.600 0.026 0.000 0.971 689 E CA 0.809 57.223 56.400 0.023 0.000 0.825 689 E CB -1.202 28.511 29.700 0.021 0.000 0.788 689 E HN 0.647 nan 8.360 nan 0.000 0.460 690 S N 1.214 116.931 115.700 0.029 0.000 2.587 690 S HA 0.335 4.819 4.470 0.023 0.000 0.260 690 S C 0.486 175.109 174.600 0.038 0.000 1.353 690 S CA -0.257 57.963 58.200 0.033 0.000 0.995 690 S CB 0.738 63.959 63.200 0.036 0.000 0.912 690 S HN 0.336 nan 8.310 nan 0.000 0.568 691 A N 0.731 123.575 122.820 0.040 0.000 2.327 691 A HA 0.742 5.076 4.320 0.023 0.000 0.255 691 A C 0.944 178.562 177.584 0.056 0.000 1.099 691 A CA 0.133 52.196 52.037 0.043 0.000 0.801 691 A CB -0.639 18.387 19.000 0.043 0.000 1.062 691 A HN 2.323 nan 8.150 nan 0.000 0.496 692 G N -1.085 107.750 108.800 0.058 0.000 2.361 692 G HA2 0.443 4.417 3.960 0.023 0.000 0.331 692 G HA3 0.443 4.417 3.960 0.023 0.000 0.331 692 G C -1.166 173.777 174.900 0.071 0.000 1.324 692 G CA -0.140 45.009 45.100 0.083 0.000 0.984 692 G HN 1.164 nan 8.290 nan 0.000 0.586 693 Q N -0.243 119.623 119.800 0.110 0.000 2.307 693 Q HA 0.735 5.088 4.340 0.023 0.000 0.262 693 Q C -0.270 175.800 176.000 0.118 0.000 0.961 693 Q CA -0.585 55.245 55.803 0.046 0.000 0.882 693 Q CB 1.279 30.020 28.738 0.006 0.000 1.264 693 Q HN 0.594 nan 8.270 nan 0.000 0.446 694 L N 4.040 125.264 121.223 0.000 0.000 2.371 694 L HA 0.464 4.817 4.340 0.023 0.000 0.272 694 L C -0.784 176.082 176.870 -0.006 0.000 1.124 694 L CA -0.346 54.541 54.840 0.078 0.000 0.816 694 L CB 0.713 42.794 42.059 0.038 0.000 1.129 694 L HN 0.685 nan 8.230 nan 0.000 0.448 695 W N 4.049 125.410 121.300 0.102 0.000 2.839 695 W HA 0.483 5.157 4.660 0.022 0.000 0.334 695 W C -0.888 175.738 176.519 0.178 0.000 1.064 695 W CA -0.514 56.914 57.345 0.137 0.000 1.236 695 W CB 1.677 31.238 29.460 0.167 0.000 1.405 695 W HN 0.099 nan 8.180 nan 0.000 0.478 696 L N 3.496 124.986 121.223 0.445 0.000 2.282 696 L HA 0.786 5.140 4.340 0.023 0.000 0.288 696 L C -0.380 176.787 176.870 0.494 0.000 1.033 696 L CA 0.140 55.239 54.840 0.433 0.000 0.807 696 L CB 1.318 43.609 42.059 0.387 0.000 1.209 696 L HN 0.332 nan 8.230 nan 0.000 0.423 697 T N 5.383 120.182 114.554 0.408 0.000 2.890 697 T HA 0.600 4.964 4.350 0.023 0.000 0.295 697 T C -0.675 174.218 174.700 0.322 0.000 0.993 697 T CA -0.436 61.859 62.100 0.325 0.000 0.979 697 T CB 1.298 70.306 68.868 0.234 0.000 0.967 697 T HN 0.612 nan 8.240 nan 0.000 0.441 698 V N 1.870 121.947 119.914 0.271 0.000 2.815 698 V HA 0.964 5.097 4.120 0.023 0.000 0.314 698 V C -0.670 175.513 176.094 0.149 0.000 1.064 698 V CA -1.277 61.152 62.300 0.214 0.000 0.952 698 V CB 1.887 33.781 31.823 0.118 0.000 1.020 698 V HN 1.018 nan 8.190 nan 0.000 0.439 699 R N 1.686 122.306 120.500 0.200 0.000 2.643 699 R HA 0.780 5.133 4.340 0.023 0.000 0.269 699 R C -2.129 174.313 176.300 0.235 0.000 1.037 699 R CA -0.848 55.401 56.100 0.248 0.000 0.894 699 R CB 1.939 32.377 30.300 0.231 0.000 1.238 699 R HN 0.526 nan 8.270 nan 0.000 0.459 700 V N 2.578 122.657 119.914 0.275 0.000 2.407 700 V HA 0.361 4.494 4.120 0.023 0.000 0.278 700 V C -0.131 176.069 176.094 0.176 0.000 1.037 700 V CA -0.571 61.853 62.300 0.206 0.000 0.900 700 V CB 1.440 33.379 31.823 0.194 0.000 0.983 700 V HN 0.530 nan 8.190 nan 0.000 0.459 701 V N 5.170 125.162 119.914 0.129 0.000 2.555 701 V HA 0.415 4.549 4.120 0.023 0.000 0.302 701 V C -0.235 175.924 176.094 0.109 0.000 1.038 701 V CA -0.793 61.566 62.300 0.099 0.000 0.887 701 V CB 1.870 33.730 31.823 0.062 0.000 0.991 701 V HN 0.896 nan 8.190 nan 0.000 0.434 702 Q N 4.925 124.799 119.800 0.123 0.000 2.360 702 Q HA 0.279 4.632 4.340 0.023 0.000 0.254 702 Q C -1.943 174.092 176.000 0.058 0.000 0.975 702 Q CA -1.730 54.140 55.803 0.112 0.000 0.912 702 Q CB 1.884 30.706 28.738 0.141 0.000 1.212 702 Q HN 0.460 nan 8.270 nan 0.000 0.452 703 P HA -0.155 nan 4.420 nan 0.000 0.219 703 P C -0.575 176.726 177.300 0.001 0.000 1.150 703 P CA 1.118 64.232 63.100 0.023 0.000 0.814 703 P CB 0.406 32.122 31.700 0.026 0.000 0.787 704 N N -0.747 117.947 118.700 -0.010 0.000 2.456 704 N HA 0.476 5.229 4.740 0.023 0.000 0.296 704 N C -0.461 174.997 175.510 -0.085 0.000 1.102 704 N CA -0.804 52.224 53.050 -0.037 0.000 0.924 704 N CB 1.121 39.591 38.487 -0.029 0.000 1.186 704 N HN -0.096 nan 8.380 nan 0.000 0.492 705 A N 0.710 123.472 122.820 -0.096 0.000 2.366 705 A HA 0.508 4.841 4.320 0.023 0.000 0.249 705 A C 0.459 177.922 177.584 -0.202 0.000 1.084 705 A CA 0.006 51.951 52.037 -0.154 0.000 0.794 705 A CB 0.089 19.026 19.000 -0.105 0.000 1.034 705 A HN 0.707 nan 8.150 nan 0.000 0.491 706 T N -3.384 110.975 114.554 -0.324 0.000 2.804 706 T HA 0.619 4.982 4.350 0.023 0.000 0.290 706 T C 0.891 175.451 174.700 -0.234 0.000 1.099 706 T CA 0.032 61.934 62.100 -0.331 0.000 1.011 706 T CB 1.085 69.566 68.868 -0.646 0.000 1.291 706 T HN 1.429 nan 8.240 nan 0.000 0.523 707 A N 0.065 122.852 122.820 -0.056 0.000 2.070 707 A HA 0.064 4.397 4.320 0.023 0.000 0.220 707 A C 1.694 179.452 177.584 0.290 0.000 1.159 707 A CA 1.359 53.474 52.037 0.131 0.000 0.656 707 A CB -0.937 18.163 19.000 0.167 0.000 0.800 707 A HN 0.924 nan 8.150 nan 0.000 0.453 708 W N -0.797 120.569 121.300 0.109 0.000 2.998 708 W HA 0.398 5.073 4.660 0.024 0.000 0.336 708 W C -0.082 176.399 176.519 -0.064 0.000 1.112 708 W CA 0.568 57.930 57.345 0.029 0.000 1.682 708 W CB -1.000 28.460 29.460 0.001 0.000 1.065 708 W HN 0.440 nan 8.180 nan 0.000 0.570 709 S N 0.078 115.400 115.700 -0.630 0.000 2.570 709 S HA 0.455 4.939 4.470 0.023 0.000 0.270 709 S C -0.997 173.378 174.600 -0.376 0.000 1.149 709 S CA -0.779 57.068 58.200 -0.588 0.000 0.837 709 S CB 2.670 65.177 63.200 -1.154 0.000 1.124 709 S HN 0.106 nan 8.310 nan 0.000 0.465 710 E N 0.544 120.622 120.200 -0.203 0.000 2.314 710 E HA 0.602 4.966 4.350 0.023 0.000 0.262 710 E C 0.148 176.704 176.600 -0.074 0.000 1.093 710 E CA -0.900 55.438 56.400 -0.104 0.000 0.908 710 E CB 1.103 30.783 29.700 -0.034 0.000 1.091 710 E HN 0.868 nan 8.360 nan 0.000 0.425 711 A N 0.693 123.483 122.820 -0.051 0.000 2.511 711 A HA 0.404 4.737 4.320 0.023 0.000 0.242 711 A C 1.123 178.712 177.584 0.008 0.000 1.069 711 A CA 0.738 52.759 52.037 -0.026 0.000 0.763 711 A CB -0.474 18.512 19.000 -0.023 0.000 1.001 711 A HN 0.810 nan 8.150 nan 0.000 0.498 712 G N 0.601 109.417 108.800 0.026 0.000 2.175 712 G HA2 -0.234 3.740 3.960 0.023 0.000 0.244 712 G HA3 -0.234 3.740 3.960 0.023 0.000 0.244 712 G C 0.248 175.186 174.900 0.063 0.000 0.982 712 G CA 0.590 45.708 45.100 0.030 0.000 0.641 712 G HN 1.738 nan 8.290 nan 0.000 0.527 713 H N 0.867 119.937 119.070 -0.000 0.000 3.034 713 H HA 0.432 5.001 4.556 0.023 0.000 0.324 713 H C 0.703 176.101 175.328 0.116 0.000 1.015 713 H CA 0.354 56.429 56.048 0.044 0.000 1.429 713 H CB 0.144 29.906 29.762 0.001 0.000 1.429 713 H HN 0.304 nan 8.280 nan 0.000 0.585 714 I N 4.879 125.197 120.570 -0.421 0.000 2.304 714 I HA 0.033 4.217 4.170 0.023 0.000 0.291 714 I C 0.864 176.817 176.117 -0.274 0.000 1.018 714 I CA 0.023 61.203 61.300 -0.201 0.000 1.260 714 I CB 1.404 39.366 38.000 -0.062 0.000 1.390 714 I HN 0.780 nan 8.210 nan 0.000 0.475 715 S N 4.229 119.980 115.700 0.085 0.000 2.511 715 S HA 0.575 5.058 4.470 0.023 0.000 0.214 715 S C 0.438 175.296 174.600 0.429 0.000 0.997 715 S CA -0.046 58.355 58.200 0.335 0.000 0.908 715 S CB 0.571 64.095 63.200 0.540 0.000 0.803 715 S HN 0.714 nan 8.310 nan 0.000 0.504 716 A N 0.433 123.543 122.820 0.483 0.000 2.586 716 A HA 0.663 4.997 4.320 0.023 0.000 0.291 716 A C -1.902 176.033 177.584 0.585 0.000 1.062 716 A CA -0.787 51.496 52.037 0.411 0.000 0.666 716 A CB 0.242 19.539 19.000 0.495 0.000 1.281 716 A HN 1.000 nan 8.150 nan 0.000 0.421 717 W N -0.614 120.873 121.300 0.311 0.000 2.989 717 W HA 0.776 5.450 4.660 0.024 0.000 0.344 717 W C -1.318 175.253 176.519 0.086 0.000 1.233 717 W CA -0.471 56.940 57.345 0.109 0.000 1.187 717 W CB 0.995 30.483 29.460 0.046 0.000 1.443 717 W HN 1.136 nan 8.180 nan 0.000 0.573 718 Q N 1.042 120.876 119.800 0.057 0.000 2.545 718 Q HA 0.425 4.779 4.340 0.023 0.000 0.273 718 Q C -1.650 174.137 176.000 -0.354 0.000 0.975 718 Q CA -0.433 55.233 55.803 -0.229 0.000 0.876 718 Q CB 2.341 30.774 28.738 -0.508 0.000 1.472 718 Q HN 0.603 nan 8.270 nan 0.000 0.389 719 Q N 1.433 120.975 119.800 -0.430 0.000 2.433 719 Q HA 0.666 5.019 4.340 0.023 0.000 0.279 719 Q C -1.201 174.588 176.000 -0.351 0.000 1.105 719 Q CA -0.722 55.005 55.803 -0.126 0.000 0.815 719 Q CB 2.332 31.228 28.738 0.264 0.000 1.403 719 Q HN 0.595 nan 8.270 nan 0.000 0.435 720 W N 1.096 122.534 121.300 0.230 0.000 3.274 720 W HA 0.401 5.075 4.660 0.022 0.000 0.327 720 W C -0.510 175.910 176.519 -0.166 0.000 1.172 720 W CA -0.627 56.747 57.345 0.048 0.000 1.217 720 W CB 1.631 31.104 29.460 0.022 0.000 1.376 720 W HN 0.443 nan 8.180 nan 0.000 0.507 721 R N 2.139 122.500 120.500 -0.232 0.000 2.389 721 R HA 0.470 4.823 4.340 0.023 0.000 0.295 721 R C 0.462 176.597 176.300 -0.275 0.000 1.075 721 R CA -0.108 55.588 56.100 -0.673 0.000 1.005 721 R CB 1.211 31.072 30.300 -0.732 0.000 0.987 721 R HN 0.335 nan 8.270 nan 0.000 0.452 722 L N 1.279 122.345 121.223 -0.260 0.000 2.783 722 L HA 0.519 4.873 4.340 0.023 0.000 0.205 722 L C 0.561 177.347 176.870 -0.140 0.000 1.985 722 L CA -0.987 53.776 54.840 -0.129 0.000 2.546 722 L CB -0.028 41.996 42.059 -0.059 0.000 2.829 722 L HN 0.596 nan 8.230 nan 0.000 0.614 723 A N 0.404 123.171 122.820 -0.088 0.000 2.445 723 A HA 0.238 4.571 4.320 0.023 0.000 0.242 723 A C -0.329 177.209 177.584 -0.077 0.000 1.075 723 A CA 0.236 52.230 52.037 -0.071 0.000 0.777 723 A CB 0.179 19.154 19.000 -0.042 0.000 1.013 723 A HN 0.606 nan 8.150 nan 0.000 0.493 724 E N 1.191 121.353 120.200 -0.064 0.000 2.272 724 E HA 0.327 4.691 4.350 0.023 0.000 0.269 724 E C -1.524 175.064 176.600 -0.019 0.000 0.877 724 E CA -0.742 55.629 56.400 -0.048 0.000 0.755 724 E CB 1.046 30.705 29.700 -0.069 0.000 1.192 724 E HN 0.686 nan 8.360 nan 0.000 0.422 725 N N 4.900 123.600 118.700 0.001 0.000 2.518 725 N HA 0.273 5.026 4.740 0.023 0.000 0.254 725 N C -0.567 174.954 175.510 0.019 0.000 0.979 725 N CA -0.367 52.689 53.050 0.009 0.000 0.930 725 N CB 1.263 39.759 38.487 0.015 0.000 1.152 725 N HN 0.486 nan 8.380 nan 0.000 0.505 726 L N 0.936 122.169 121.223 0.016 0.000 2.490 726 L HA 0.062 4.416 4.340 0.023 0.000 0.274 726 L C 1.314 178.201 176.870 0.029 0.000 1.201 726 L CA 0.183 55.038 54.840 0.024 0.000 0.869 726 L CB 0.419 42.491 42.059 0.021 0.000 1.123 726 L HN 0.377 nan 8.230 nan 0.000 0.484 727 S N 2.096 117.818 115.700 0.037 0.000 2.481 727 S HA 0.226 4.709 4.470 0.023 0.000 0.276 727 S C 0.680 175.300 174.600 0.034 0.000 1.247 727 S CA -0.785 57.438 58.200 0.037 0.000 1.053 727 S CB 0.770 63.998 63.200 0.046 0.000 0.925 727 S HN 0.471 nan 8.310 nan 0.000 0.491 728 V N 2.394 122.325 119.914 0.028 0.000 3.605 728 V HA 0.300 4.433 4.120 0.023 0.000 0.284 728 V C 0.809 176.918 176.094 0.025 0.000 1.386 728 V CA 0.251 62.566 62.300 0.025 0.000 1.053 728 V CB -0.828 31.007 31.823 0.020 0.000 0.857 728 V HN 0.872 nan 8.190 nan 0.000 0.436 729 T N 1.421 115.991 114.554 0.027 0.000 2.817 729 T HA 0.515 4.878 4.350 0.023 0.000 0.295 729 T C -0.115 174.602 174.700 0.029 0.000 0.958 729 T CA -0.186 61.929 62.100 0.026 0.000 1.157 729 T CB 0.416 69.300 68.868 0.028 0.000 0.898 729 T HN 0.352 nan 8.240 nan 0.000 0.536 730 L N 5.944 127.182 121.223 0.025 0.000 2.367 730 L HA 0.339 4.693 4.340 0.023 0.000 0.275 730 L C -1.056 175.831 176.870 0.029 0.000 1.129 730 L CA -1.842 53.014 54.840 0.026 0.000 0.839 730 L CB 0.109 42.180 42.059 0.020 0.000 1.133 730 L HN 0.615 nan 8.230 nan 0.000 0.453 731 P HA 0.155 nan 4.420 nan 0.000 0.271 731 P C -0.630 176.691 177.300 0.034 0.000 1.218 731 P CA -0.533 62.590 63.100 0.039 0.000 0.780 731 P CB 0.954 32.683 31.700 0.047 0.000 0.901 732 A N 2.673 125.516 122.820 0.038 0.000 2.511 732 A HA 0.420 4.754 4.320 0.023 0.000 0.242 732 A C 0.875 178.474 177.584 0.024 0.000 1.069 732 A CA 0.020 52.073 52.037 0.026 0.000 0.763 732 A CB -0.517 18.503 19.000 0.033 0.000 1.001 732 A HN 0.778 nan 8.150 nan 0.000 0.498 733 A N 2.941 125.758 122.820 -0.005 0.000 2.587 733 A HA 0.431 4.765 4.320 0.023 0.000 0.233 733 A C 1.094 178.673 177.584 -0.009 0.000 1.049 733 A CA 0.480 52.510 52.037 -0.012 0.000 0.754 733 A CB -0.457 18.521 19.000 -0.036 0.000 0.977 733 A HN 1.987 nan 8.150 nan 0.000 0.509 734 S N 1.281 117.006 115.700 0.042 0.000 2.593 734 S HA 0.280 4.763 4.470 0.023 0.000 0.269 734 S C 0.596 175.256 174.600 0.100 0.000 1.334 734 S CA 0.190 58.470 58.200 0.134 0.000 1.015 734 S CB 0.321 63.590 63.200 0.116 0.000 0.912 734 S HN 0.709 nan 8.310 nan 0.000 0.541 735 H N 1.186 120.274 119.070 0.029 0.000 2.329 735 H HA 0.466 5.036 4.556 0.023 0.000 0.306 735 H C 1.079 176.425 175.328 0.031 0.000 1.062 735 H CA 1.216 57.280 56.048 0.027 0.000 1.364 735 H CB -0.559 29.219 29.762 0.027 0.000 1.409 735 H HN 0.856 nan 8.280 nan 0.000 0.519 736 A N 0.762 123.692 122.820 0.184 0.000 2.299 736 A HA 0.612 4.946 4.320 0.023 0.000 0.332 736 A C -0.578 177.063 177.584 0.094 0.000 1.131 736 A CA -0.591 51.516 52.037 0.117 0.000 0.844 736 A CB 0.739 19.802 19.000 0.105 0.000 1.251 736 A HN 0.216 nan 8.150 nan 0.000 0.486 737 I N 1.538 122.157 120.570 0.082 0.000 2.362 737 I HA 0.306 4.490 4.170 0.023 0.000 0.289 737 I C -2.311 173.857 176.117 0.085 0.000 0.994 737 I CA -2.007 59.332 61.300 0.066 0.000 1.158 737 I CB 1.942 39.972 38.000 0.050 0.000 1.315 737 I HN 0.408 nan 8.210 nan 0.000 0.451 738 P HA -0.008 nan 4.420 nan 0.000 0.267 738 P C -0.815 176.551 177.300 0.110 0.000 1.200 738 P CA 0.191 63.352 63.100 0.102 0.000 0.772 738 P CB 0.326 32.045 31.700 0.031 0.000 0.855 739 H N 2.968 122.082 119.070 0.074 0.000 2.459 739 H HA 0.378 4.948 4.556 0.023 0.000 0.332 739 H C -1.173 174.200 175.328 0.075 0.000 1.094 739 H CA -0.854 55.231 56.048 0.061 0.000 1.224 739 H CB 1.075 30.874 29.762 0.060 0.000 1.449 739 H HN 0.217 nan 8.280 nan 0.000 0.484 740 L N 4.884 125.840 121.223 -0.445 0.000 2.264 740 L HA 0.296 4.649 4.340 0.023 0.000 0.289 740 L C -0.601 176.211 176.870 -0.098 0.000 1.044 740 L CA -0.058 54.675 54.840 -0.177 0.000 0.807 740 L CB 1.318 43.270 42.059 -0.179 0.000 1.192 740 L HN 0.559 nan 8.230 nan 0.000 0.425 741 T N 3.660 118.317 114.554 0.173 0.000 2.821 741 T HA 0.360 4.724 4.350 0.023 0.000 0.307 741 T C -0.204 174.623 174.700 0.213 0.000 1.034 741 T CA -0.286 61.948 62.100 0.224 0.000 0.953 741 T CB 0.545 69.556 68.868 0.238 0.000 0.968 741 T HN 0.662 nan 8.240 nan 0.000 0.462 742 T N 3.728 118.395 114.554 0.188 0.000 2.744 742 T HA 0.548 4.911 4.350 0.023 0.000 0.291 742 T C 0.417 175.149 174.700 0.053 0.000 0.957 742 T CA -0.634 61.578 62.100 0.187 0.000 1.002 742 T CB 0.641 69.658 68.868 0.249 0.000 0.919 742 T HN 0.671 nan 8.240 nan 0.000 0.468 743 S N 2.419 118.092 115.700 -0.044 0.000 2.715 743 S HA 0.483 4.967 4.470 0.023 0.000 0.307 743 S C 0.937 175.458 174.600 -0.132 0.000 1.119 743 S CA -0.966 57.200 58.200 -0.056 0.000 0.937 743 S CB 1.459 64.641 63.200 -0.030 0.000 1.150 743 S HN 0.459 nan 8.310 nan 0.000 0.521 744 E N 0.411 120.558 120.200 -0.088 0.000 2.077 744 E HA -0.075 4.288 4.350 0.023 0.000 0.193 744 E C 1.365 177.884 176.600 -0.134 0.000 0.989 744 E CA 1.356 57.698 56.400 -0.097 0.000 0.800 744 E CB -0.257 29.412 29.700 -0.053 0.000 0.746 744 E HN 0.583 nan 8.360 nan 0.000 0.452 745 M N 0.163 119.697 119.600 -0.109 0.000 2.465 745 M HA 0.162 4.655 4.480 0.023 0.000 0.249 745 M C 0.003 176.228 176.300 -0.124 0.000 1.130 745 M CA 0.525 55.768 55.300 -0.096 0.000 1.067 745 M CB 0.227 32.806 32.600 -0.036 0.000 1.394 745 M HN -0.140 nan 8.290 nan 0.000 0.483 746 D N -1.068 119.224 120.400 -0.181 0.000 2.626 746 D HA 0.423 5.077 4.640 0.023 0.000 0.278 746 D C -1.483 174.674 176.300 -0.238 0.000 1.211 746 D CA -0.354 53.560 54.000 -0.143 0.000 0.903 746 D CB 2.310 43.133 40.800 0.039 0.000 1.408 746 D HN -0.161 nan 8.370 nan 0.000 0.454 747 F N 1.213 121.250 119.950 0.144 0.000 2.646 747 F HA 0.291 4.831 4.527 0.023 0.000 0.364 747 F C -0.273 175.660 175.800 0.222 0.000 1.137 747 F CA -0.904 57.170 58.000 0.123 0.000 1.085 747 F CB 0.949 39.979 39.000 0.050 0.000 1.331 747 F HN 0.158 nan 8.300 nan 0.000 0.472 748 C N 4.156 123.680 119.300 0.372 0.000 2.358 748 C HA 0.759 5.233 4.460 0.023 0.000 0.342 748 C C 0.046 175.238 174.990 0.337 0.000 1.234 748 C CA -0.759 58.475 59.018 0.360 0.000 1.969 748 C CB 0.637 28.536 27.740 0.265 0.000 2.346 748 C HN 0.483 nan 8.230 nan 0.000 0.525 749 I N 2.855 123.673 120.570 0.414 0.000 2.433 749 I HA 0.440 4.623 4.170 0.023 0.000 0.292 749 I C -0.316 176.085 176.117 0.474 0.000 1.001 749 I CA -0.095 61.435 61.300 0.384 0.000 1.119 749 I CB 1.428 39.622 38.000 0.324 0.000 1.289 749 I HN 0.591 nan 8.210 nan 0.000 0.438 750 E N 6.122 126.540 120.200 0.364 0.000 2.222 750 E HA 0.792 5.155 4.350 0.023 0.000 0.267 750 E C -1.321 175.455 176.600 0.293 0.000 0.884 750 E CA -0.641 55.937 56.400 0.296 0.000 0.764 750 E CB 2.373 32.181 29.700 0.179 0.000 1.169 750 E HN 0.366 nan 8.360 nan 0.000 0.413 751 L N 2.332 123.720 121.223 0.275 0.000 2.752 751 L HA 0.561 4.914 4.340 0.023 0.000 0.257 751 L C 0.160 177.117 176.870 0.145 0.000 0.968 751 L CA 0.745 55.726 54.840 0.235 0.000 0.953 751 L CB 0.944 43.210 42.059 0.345 0.000 1.286 751 L HN 0.662 nan 8.230 nan 0.000 0.443 752 G N 4.143 112.993 108.800 0.082 0.000 2.528 752 G HA2 -0.359 3.615 3.960 0.023 0.000 0.262 752 G HA3 -0.359 3.615 3.960 0.023 0.000 0.262 752 G C 0.321 175.225 174.900 0.006 0.000 1.200 752 G CA 0.374 45.495 45.100 0.035 0.000 0.951 752 G HN 1.338 nan 8.290 nan 0.000 0.566 753 N N 0.996 119.683 118.700 -0.021 0.000 2.346 753 N HA 0.144 4.898 4.740 0.023 0.000 0.225 753 N C -0.051 175.413 175.510 -0.076 0.000 1.144 753 N CA 0.380 53.403 53.050 -0.046 0.000 0.837 753 N CB 0.330 38.788 38.487 -0.047 0.000 1.069 753 N HN 0.487 nan 8.380 nan 0.000 0.487 754 K N 0.918 121.260 120.400 -0.096 0.000 2.182 754 K HA 0.381 4.715 4.320 0.023 0.000 0.262 754 K C -0.529 175.908 176.600 -0.272 0.000 0.957 754 K CA -0.449 55.677 56.287 -0.268 0.000 0.842 754 K CB 2.562 34.833 32.500 -0.382 0.000 1.099 754 K HN 0.210 nan 8.250 nan 0.000 0.438 755 R N 2.024 122.311 120.500 -0.355 0.000 2.673 755 R HA 0.414 4.767 4.340 0.023 0.000 0.281 755 R C -1.373 174.836 176.300 -0.151 0.000 0.991 755 R CA -0.581 55.483 56.100 -0.059 0.000 0.896 755 R CB 1.435 31.819 30.300 0.141 0.000 1.201 755 R HN 0.549 nan 8.270 nan 0.000 0.457 756 W N 3.716 125.142 121.300 0.210 0.000 2.619 756 W HA 0.284 4.957 4.660 0.023 0.000 0.327 756 W C -0.708 175.933 176.519 0.203 0.000 1.027 756 W CA -0.585 56.834 57.345 0.123 0.000 1.233 756 W CB 2.064 31.632 29.460 0.180 0.000 1.370 756 W HN 0.514 nan 8.180 nan 0.000 0.453 757 Q N 3.173 123.110 119.800 0.229 0.000 2.341 757 Q HA 0.434 4.787 4.340 0.023 0.000 0.268 757 Q C -1.822 174.180 176.000 0.004 0.000 1.013 757 Q CA -0.426 55.523 55.803 0.243 0.000 0.798 757 Q CB 1.108 30.037 28.738 0.319 0.000 1.253 757 Q HN 0.300 nan 8.270 nan 0.000 0.457 758 F N 2.919 122.961 119.950 0.154 0.000 2.402 758 F HA 0.306 4.846 4.527 0.023 0.000 0.355 758 F C 0.534 176.397 175.800 0.106 0.000 1.123 758 F CA -0.920 57.145 58.000 0.110 0.000 1.021 758 F CB 1.251 40.313 39.000 0.103 0.000 1.160 758 F HN 0.520 nan 8.300 nan 0.000 0.451 759 N N 3.775 122.595 118.700 0.200 0.000 2.431 759 N HA 0.044 4.797 4.740 0.023 0.000 0.265 759 N C 0.938 176.505 175.510 0.095 0.000 1.184 759 N CA 0.084 53.207 53.050 0.121 0.000 0.943 759 N CB 0.656 39.211 38.487 0.113 0.000 1.080 759 N HN 0.682 nan 8.380 nan 0.000 0.477 760 R N 2.351 122.843 120.500 -0.013 0.000 2.316 760 R HA -0.108 4.246 4.340 0.023 0.000 0.202 760 R C 1.514 177.796 176.300 -0.030 0.000 1.029 760 R CA 0.672 56.731 56.100 -0.069 0.000 1.018 760 R CB 0.218 30.346 30.300 -0.286 0.000 0.888 760 R HN 0.689 nan 8.270 nan 0.000 0.471 761 Q N 0.299 120.098 119.800 -0.001 0.000 2.200 761 Q HA -0.059 4.295 4.340 0.023 0.000 0.197 761 Q C 1.949 177.968 176.000 0.032 0.000 0.953 761 Q CA 1.360 57.169 55.803 0.010 0.000 0.851 761 Q CB 0.307 29.057 28.738 0.021 0.000 0.938 761 Q HN 0.264 nan 8.270 nan 0.000 0.488 762 S N -1.439 114.305 115.700 0.072 0.000 2.404 762 S HA 0.199 4.682 4.470 0.023 0.000 0.223 762 S C 1.475 176.047 174.600 -0.048 0.000 1.040 762 S CA 0.680 58.951 58.200 0.117 0.000 0.957 762 S CB 0.227 63.600 63.200 0.289 0.000 0.826 762 S HN 0.701 nan 8.310 nan 0.000 0.491 763 G N 0.483 109.267 108.800 -0.026 0.000 2.132 763 G HA2 -0.167 3.807 3.960 0.023 0.000 0.234 763 G HA3 -0.167 3.807 3.960 0.023 0.000 0.234 763 G C -0.228 174.610 174.900 -0.104 0.000 0.989 763 G CA 0.144 45.204 45.100 -0.067 0.000 0.676 763 G HN 0.467 nan 8.290 nan 0.000 0.522 764 F N -1.124 118.995 119.950 0.281 0.000 2.561 764 F HA 0.691 5.231 4.527 0.023 0.000 0.321 764 F C 0.373 176.168 175.800 -0.008 0.000 1.065 764 F CA -1.722 56.389 58.000 0.184 0.000 0.934 764 F CB 1.458 40.523 39.000 0.108 0.000 1.215 764 F HN -0.003 nan 8.300 nan 0.000 0.471 765 L N 2.295 123.509 121.223 -0.015 0.000 2.600 765 L HA 0.160 4.513 4.340 0.023 0.000 0.278 765 L C 1.175 177.901 176.870 -0.240 0.000 1.139 765 L CA 0.448 54.939 54.840 -0.581 0.000 0.933 765 L CB -0.216 41.438 42.059 -0.675 0.000 1.266 765 L HN 0.726 nan 8.230 nan 0.000 0.471 766 S N 2.665 118.250 115.700 -0.191 0.000 2.395 766 S HA 0.076 4.560 4.470 0.023 0.000 0.225 766 S C 0.738 175.196 174.600 -0.236 0.000 1.027 766 S CA 0.263 58.392 58.200 -0.118 0.000 0.965 766 S CB -0.029 63.152 63.200 -0.031 0.000 0.812 766 S HN 0.672 nan 8.310 nan 0.000 0.482 767 Q N -0.250 119.340 119.800 -0.350 0.000 2.435 767 Q HA 0.705 5.059 4.340 0.023 0.000 0.282 767 Q C -1.680 173.913 176.000 -0.679 0.000 1.020 767 Q CA -0.449 54.992 55.803 -0.604 0.000 0.820 767 Q CB 2.020 30.233 28.738 -0.876 0.000 1.436 767 Q HN 0.454 nan 8.270 nan 0.000 0.395 768 M N 2.334 121.437 119.600 -0.827 0.000 2.324 768 M HA 0.611 5.104 4.480 0.023 0.000 0.288 768 M C -1.981 173.915 176.300 -0.672 0.000 1.097 768 M CA -0.245 54.654 55.300 -0.667 0.000 0.928 768 M CB 1.369 33.594 32.600 -0.625 0.000 1.648 768 M HN 0.615 nan 8.290 nan 0.000 0.460 769 W N 5.621 126.703 121.300 -0.363 0.000 2.666 769 W HA 0.573 5.247 4.660 0.023 0.000 0.334 769 W C -1.091 175.240 176.519 -0.313 0.000 1.051 769 W CA -0.739 56.445 57.345 -0.268 0.000 1.224 769 W CB 1.644 30.987 29.460 -0.195 0.000 1.405 769 W HN 0.526 nan 8.180 nan 0.000 0.513 770 I N 3.385 123.957 120.570 0.002 0.000 2.537 770 I HA 0.334 4.518 4.170 0.023 0.000 0.276 770 I C 0.761 176.864 176.117 -0.023 0.000 1.063 770 I CA 0.165 61.419 61.300 -0.076 0.000 1.144 770 I CB 0.780 38.713 38.000 -0.112 0.000 1.252 770 I HN 0.750 nan 8.210 nan 0.000 0.480 771 G N 5.452 114.236 108.800 -0.026 0.000 2.972 771 G HA2 -0.273 3.701 3.960 0.023 0.000 0.265 771 G HA3 -0.273 3.701 3.960 0.023 0.000 0.265 771 G C 0.338 175.230 174.900 -0.015 0.000 1.506 771 G CA 0.410 45.493 45.100 -0.029 0.000 1.016 771 G HN 0.655 nan 8.290 nan 0.000 0.563 772 D N 0.247 120.658 120.400 0.019 0.000 2.520 772 D HA 0.184 4.837 4.640 0.023 0.000 0.223 772 D C 0.027 176.443 176.300 0.195 0.000 1.186 772 D CA -0.050 53.968 54.000 0.030 0.000 0.821 772 D CB 0.384 41.167 40.800 -0.029 0.000 1.072 772 D HN 0.338 nan 8.370 nan 0.000 0.518 773 K N 1.869 122.370 120.400 0.168 0.000 2.262 773 K HA 0.292 4.626 4.320 0.023 0.000 0.282 773 K C 0.349 177.005 176.600 0.093 0.000 1.066 773 K CA -0.335 56.027 56.287 0.124 0.000 0.901 773 K CB 1.941 34.456 32.500 0.026 0.000 1.089 773 K HN 0.088 nan 8.250 nan 0.000 0.476 774 K N 2.163 122.566 120.400 0.006 0.000 2.436 774 K HA 0.003 4.336 4.320 0.023 0.000 0.275 774 K C 1.049 177.501 176.600 -0.247 0.000 0.999 774 K CA -0.076 55.992 56.287 -0.364 0.000 0.980 774 K CB 0.597 32.905 32.500 -0.321 0.000 0.919 774 K HN 0.337 nan 8.250 nan 0.000 0.484 775 Q N 1.193 120.803 119.800 -0.316 0.000 2.378 775 Q HA 0.185 4.539 4.340 0.023 0.000 0.216 775 Q C 0.147 176.078 176.000 -0.115 0.000 0.892 775 Q CA 0.504 56.234 55.803 -0.122 0.000 0.931 775 Q CB 0.424 29.130 28.738 -0.053 0.000 1.086 775 Q HN 0.496 nan 8.270 nan 0.000 0.528 776 L N 0.176 121.261 121.223 -0.231 0.000 2.354 776 L HA 0.406 4.760 4.340 0.023 0.000 0.269 776 L C 0.871 177.614 176.870 -0.211 0.000 1.005 776 L CA -0.419 54.300 54.840 -0.201 0.000 0.819 776 L CB 1.805 43.735 42.059 -0.215 0.000 1.311 776 L HN -0.116 nan 8.230 nan 0.000 0.423 777 L N 0.204 121.296 121.223 -0.218 0.000 2.470 777 L HA 0.238 4.592 4.340 0.023 0.000 0.219 777 L C 0.071 176.835 176.870 -0.178 0.000 1.071 777 L CA 0.717 55.441 54.840 -0.194 0.000 0.850 777 L CB 0.693 42.618 42.059 -0.223 0.000 1.040 777 L HN 0.640 nan 8.230 nan 0.000 0.475 778 T N -0.101 114.318 114.554 -0.226 0.000 2.893 778 T HA 0.405 4.769 4.350 0.023 0.000 0.293 778 T C -2.537 172.089 174.700 -0.122 0.000 1.027 778 T CA -1.192 60.822 62.100 -0.144 0.000 0.988 778 T CB 2.419 71.204 68.868 -0.139 0.000 1.043 778 T HN -0.268 nan 8.240 nan 0.000 0.461 779 P HA 0.171 nan 4.420 nan 0.000 0.270 779 P C -0.733 176.535 177.300 -0.055 0.000 1.227 779 P CA -0.717 62.346 63.100 -0.063 0.000 0.788 779 P CB 0.433 32.123 31.700 -0.017 0.000 0.926 780 L N 2.821 124.041 121.223 -0.005 0.000 2.283 780 L HA 0.311 4.664 4.340 0.023 0.000 0.287 780 L C -0.033 176.822 176.870 -0.025 0.000 1.073 780 L CA 0.520 55.395 54.840 0.059 0.000 0.822 780 L CB -0.525 41.663 42.059 0.214 0.000 1.186 780 L HN 0.291 nan 8.230 nan 0.000 0.436 781 R N 2.544 122.951 120.500 -0.155 0.000 2.867 781 R HA 0.519 4.873 4.340 0.023 0.000 0.268 781 R C -0.996 175.194 176.300 -0.182 0.000 1.014 781 R CA -1.021 54.849 56.100 -0.382 0.000 0.946 781 R CB 1.094 30.992 30.300 -0.669 0.000 1.208 781 R HN 0.507 nan 8.270 nan 0.000 0.477 782 D N 0.951 121.283 120.400 -0.112 0.000 2.368 782 D HA 0.088 4.742 4.640 0.023 0.000 0.240 782 D C -0.523 175.412 176.300 -0.609 0.000 1.169 782 D CA 0.248 54.022 54.000 -0.376 0.000 0.906 782 D CB 0.612 41.097 40.800 -0.524 0.000 1.187 782 D HN 0.216 nan 8.370 nan 0.000 0.435 783 Q N 0.693 119.913 119.800 -0.967 0.000 2.263 783 Q HA 0.279 4.633 4.340 0.023 0.000 0.262 783 Q C -1.379 173.963 176.000 -1.097 0.000 0.984 783 Q CA -0.526 54.801 55.803 -0.793 0.000 0.813 783 Q CB 0.713 29.187 28.738 -0.440 0.000 1.299 783 Q HN 0.488 nan 8.270 nan 0.000 0.428 784 F N 0.901 120.476 119.950 -0.625 0.000 2.683 784 F HA 0.215 4.755 4.527 0.023 0.000 0.306 784 F C 0.590 175.959 175.800 -0.718 0.000 1.102 784 F CA -0.080 57.443 58.000 -0.795 0.000 1.244 784 F CB 1.363 39.569 39.000 -1.325 0.000 1.029 784 F HN 0.393 nan 8.300 nan 0.000 0.545 785 T N -1.016 113.247 114.554 -0.486 0.000 2.887 785 T HA 0.819 5.183 4.350 0.023 0.000 0.292 785 T C -0.630 173.831 174.700 -0.398 0.000 1.087 785 T CA -1.004 60.738 62.100 -0.597 0.000 1.009 785 T CB 2.967 71.437 68.868 -0.663 0.000 1.203 785 T HN 0.266 nan 8.240 nan 0.000 0.518 786 R N -0.128 120.179 120.500 -0.320 0.000 2.740 786 R HA 0.763 5.116 4.340 0.023 0.000 0.273 786 R C -0.899 175.449 176.300 0.081 0.000 0.998 786 R CA -1.221 54.815 56.100 -0.105 0.000 0.900 786 R CB 1.470 31.708 30.300 -0.104 0.000 1.223 786 R HN 0.862 nan 8.270 nan 0.000 0.466 787 A N 3.636 126.496 122.820 0.067 0.000 2.515 787 A HA 0.258 4.592 4.320 0.023 0.000 0.263 787 A C -1.877 175.789 177.584 0.136 0.000 1.096 787 A CA -1.220 50.864 52.037 0.078 0.000 0.769 787 A CB -0.476 18.523 19.000 -0.003 0.000 1.040 787 A HN 0.583 nan 8.150 nan 0.000 0.505 788 P HA 0.008 nan 4.420 nan 0.000 0.261 788 P C -0.275 177.159 177.300 0.224 0.000 1.173 788 P CA 0.636 63.915 63.100 0.298 0.000 0.760 788 P CB 0.348 32.248 31.700 0.332 0.000 0.783 789 L N 2.720 124.041 121.223 0.163 0.000 2.468 789 L HA 0.169 4.523 4.340 0.023 0.000 0.254 789 L C 1.738 178.644 176.870 0.061 0.000 1.171 789 L CA -0.585 54.287 54.840 0.053 0.000 0.809 789 L CB -0.113 41.907 42.059 -0.065 0.000 1.155 789 L HN 0.214 nan 8.230 nan 0.000 0.473 790 D N -0.087 120.303 120.400 -0.017 0.000 2.149 790 D HA -0.160 4.494 4.640 0.023 0.000 0.198 790 D C 1.660 177.958 176.300 -0.003 0.000 0.990 790 D CA 1.280 55.247 54.000 -0.055 0.000 0.839 790 D CB -0.134 40.622 40.800 -0.073 0.000 0.948 790 D HN 0.426 nan 8.370 nan 0.000 0.460 791 N N 0.713 119.410 118.700 -0.006 0.000 2.309 791 N HA -0.098 4.656 4.740 0.023 0.000 0.182 791 N C 0.998 176.539 175.510 0.053 0.000 1.018 791 N CA 0.739 53.795 53.050 0.010 0.000 0.876 791 N CB -0.050 38.426 38.487 -0.018 0.000 0.972 791 N HN 0.258 nan 8.380 nan 0.000 0.434 792 D N 0.767 121.216 120.400 0.082 0.000 2.162 792 D HA 0.032 4.685 4.640 0.023 0.000 0.203 792 D C 2.066 178.427 176.300 0.102 0.000 0.967 792 D CA 0.360 54.443 54.000 0.138 0.000 0.840 792 D CB 0.040 41.012 40.800 0.287 0.000 0.972 792 D HN 0.300 nan 8.370 nan 0.000 0.482 793 I N 0.652 121.269 120.570 0.078 0.000 2.353 793 I HA -0.069 4.115 4.170 0.023 0.000 0.248 793 I C 1.300 177.413 176.117 -0.007 0.000 1.119 793 I CA 0.740 62.059 61.300 0.033 0.000 1.417 793 I CB -0.473 37.522 38.000 -0.010 0.000 1.078 793 I HN 0.024 nan 8.210 nan 0.000 0.421 794 G N 2.440 111.240 108.800 0.001 0.000 2.350 794 G HA2 -0.171 3.802 3.960 0.023 0.000 0.298 794 G HA3 -0.171 3.802 3.960 0.023 0.000 0.298 794 G C -0.028 174.861 174.900 -0.019 0.000 1.037 794 G CA 0.459 45.557 45.100 -0.003 0.000 1.074 794 G HN 0.468 nan 8.290 nan 0.000 0.511 795 V N -2.719 117.162 119.914 -0.054 0.000 2.733 795 V HA 0.862 4.995 4.120 0.023 0.000 0.306 795 V C 0.641 176.482 176.094 -0.422 0.000 1.084 795 V CA 0.176 62.373 62.300 -0.171 0.000 0.905 795 V CB 1.470 33.190 31.823 -0.172 0.000 1.010 795 V HN 0.955 nan 8.190 nan 0.000 0.424 796 S N 1.710 116.986 115.700 -0.706 0.000 2.517 796 S HA 0.354 4.838 4.470 0.023 0.000 0.214 796 S C 0.278 174.208 174.600 -1.116 0.000 0.991 796 S CA -0.089 57.103 58.200 -1.680 0.000 0.906 796 S CB -0.178 62.161 63.200 -1.435 0.000 0.789 796 S HN 0.872 nan 8.310 nan 0.000 0.513 797 E N 0.363 120.193 120.200 -0.616 0.000 2.246 797 E HA 0.592 4.956 4.350 0.023 0.000 0.266 797 E C 0.030 176.466 176.600 -0.275 0.000 0.880 797 E CA -0.418 55.733 56.400 -0.415 0.000 0.762 797 E CB 1.892 31.375 29.700 -0.362 0.000 1.180 797 E HN 0.187 nan 8.360 nan 0.000 0.416 798 A N 1.982 124.679 122.820 -0.205 0.000 2.125 798 A HA -0.144 4.189 4.320 0.023 0.000 0.219 798 A C 1.924 179.446 177.584 -0.103 0.000 1.156 798 A CA 1.877 53.840 52.037 -0.122 0.000 0.671 798 A CB -0.615 18.346 19.000 -0.065 0.000 0.794 798 A HN 0.644 nan 8.150 nan 0.000 0.459 799 T N -3.059 111.420 114.554 -0.126 0.000 3.100 799 T HA 0.199 4.563 4.350 0.023 0.000 0.253 799 T C 0.772 175.410 174.700 -0.103 0.000 1.118 799 T CA -0.202 61.837 62.100 -0.101 0.000 1.058 799 T CB -0.120 68.685 68.868 -0.105 0.000 0.953 799 T HN 0.383 nan 8.240 nan 0.000 0.515 800 R N 1.146 121.570 120.500 -0.127 0.000 2.265 800 R HA 0.565 4.918 4.340 0.023 0.000 0.319 800 R C -0.625 175.618 176.300 -0.095 0.000 1.006 800 R CA -0.475 55.553 56.100 -0.119 0.000 0.880 800 R CB 1.082 31.292 30.300 -0.151 0.000 1.077 800 R HN 0.390 nan 8.270 nan 0.000 0.454 801 I N 2.309 122.833 120.570 -0.076 0.000 2.442 801 I HA 0.118 4.301 4.170 0.023 0.000 0.279 801 I C -0.362 175.716 176.117 -0.066 0.000 1.081 801 I CA -0.664 60.599 61.300 -0.061 0.000 1.197 801 I CB 0.927 38.900 38.000 -0.045 0.000 1.394 801 I HN 0.401 nan 8.210 nan 0.000 0.488 802 D N 8.010 128.366 120.400 -0.073 0.000 2.339 802 D HA 0.226 4.879 4.640 0.023 0.000 0.241 802 D C -1.601 174.644 176.300 -0.091 0.000 1.183 802 D CA -2.133 51.819 54.000 -0.080 0.000 0.859 802 D CB 1.598 42.349 40.800 -0.081 0.000 1.067 802 D HN 0.172 nan 8.370 nan 0.000 0.484 803 P HA -0.069 nan 4.420 nan 0.000 0.220 803 P C 0.826 178.031 177.300 -0.159 0.000 1.148 803 P CA 0.627 63.664 63.100 -0.105 0.000 0.803 803 P CB 0.234 31.882 31.700 -0.087 0.000 0.782 804 N N -0.288 118.309 118.700 -0.172 0.000 2.494 804 N HA 0.010 4.764 4.740 0.023 0.000 0.182 804 N C 0.372 175.678 175.510 -0.341 0.000 1.076 804 N CA 0.039 52.942 53.050 -0.245 0.000 0.908 804 N CB -0.488 37.884 38.487 -0.191 0.000 0.967 804 N HN -0.082 nan 8.380 nan 0.000 0.449 805 A N -0.517 122.149 122.820 -0.257 0.000 2.445 805 A HA 0.101 4.435 4.320 0.023 0.000 0.242 805 A C 0.668 178.022 177.584 -0.382 0.000 1.075 805 A CA -0.354 51.530 52.037 -0.255 0.000 0.777 805 A CB -0.152 18.774 19.000 -0.124 0.000 1.013 805 A HN 0.526 nan 8.150 nan 0.000 0.493 806 W N 1.560 122.605 121.300 -0.425 0.000 2.318 806 W HA -0.180 4.493 4.660 0.022 0.000 0.313 806 W C 2.248 178.202 176.519 -0.942 0.000 1.221 806 W CA 1.814 58.631 57.345 -0.880 0.000 1.266 806 W CB -0.520 28.266 29.460 -1.123 0.000 1.150 806 W HN 0.544 nan 8.180 nan 0.000 0.496 807 V N 0.808 120.620 119.914 -0.170 0.000 2.332 807 V HA -0.277 3.857 4.120 0.023 0.000 0.248 807 V C 2.233 178.431 176.094 0.174 0.000 1.055 807 V CA 2.176 64.622 62.300 0.243 0.000 1.038 807 V CB -0.389 31.596 31.823 0.269 0.000 0.651 807 V HN 0.071 nan 8.190 nan 0.000 0.450 808 E N 0.069 120.267 120.200 -0.002 0.000 2.072 808 E HA -0.184 4.180 4.350 0.023 0.000 0.191 808 E C 2.345 178.916 176.600 -0.048 0.000 0.985 808 E CA 1.279 57.670 56.400 -0.015 0.000 0.801 808 E CB -0.347 29.312 29.700 -0.068 0.000 0.750 808 E HN 0.633 nan 8.360 nan 0.000 0.452 809 R N -0.381 120.011 120.500 -0.181 0.000 2.092 809 R HA -0.098 4.256 4.340 0.023 0.000 0.231 809 R C 2.269 178.499 176.300 -0.116 0.000 1.119 809 R CA 1.033 56.998 56.100 -0.225 0.000 0.970 809 R CB -0.156 29.886 30.300 -0.430 0.000 0.864 809 R HN 0.242 nan 8.270 nan 0.000 0.440 810 W N 1.676 122.947 121.300 -0.048 0.000 2.381 810 W HA -0.041 4.633 4.660 0.023 0.000 0.301 810 W C 1.893 178.381 176.519 -0.052 0.000 1.205 810 W CA 0.689 57.938 57.345 -0.159 0.000 1.285 810 W CB -0.526 28.962 29.460 0.046 0.000 1.133 810 W HN 0.080 nan 8.180 nan 0.000 0.521 811 K N 0.238 120.867 120.400 0.382 0.000 2.002 811 K HA -0.082 4.252 4.320 0.023 0.000 0.209 811 K C 2.315 178.968 176.600 0.087 0.000 1.048 811 K CA 1.781 58.243 56.287 0.292 0.000 0.930 811 K CB -0.759 31.872 32.500 0.218 0.000 0.714 811 K HN -0.053 nan 8.250 nan 0.000 0.438 812 A N 1.476 124.322 122.820 0.045 0.000 1.948 812 A HA -0.190 4.143 4.320 0.023 0.000 0.220 812 A C 2.290 179.859 177.584 -0.024 0.000 1.177 812 A CA 2.088 54.132 52.037 0.012 0.000 0.636 812 A CB -0.770 18.223 19.000 -0.011 0.000 0.815 812 A HN 0.378 nan 8.150 nan 0.000 0.449 813 A N -2.096 120.673 122.820 -0.084 0.000 2.167 813 A HA 0.390 4.723 4.320 0.023 0.000 0.214 813 A C 1.864 179.332 177.584 -0.194 0.000 1.151 813 A CA 1.288 53.267 52.037 -0.095 0.000 0.735 813 A CB -0.894 17.989 19.000 -0.196 0.000 0.802 813 A HN 1.994 nan 8.150 nan 0.000 0.467 814 G N -1.570 107.008 108.800 -0.370 0.000 2.137 814 G HA2 -0.292 3.682 3.960 0.023 0.000 0.237 814 G HA3 -0.292 3.682 3.960 0.023 0.000 0.237 814 G C 0.514 175.380 174.900 -0.056 0.000 1.002 814 G CA 0.660 45.325 45.100 -0.725 0.000 0.702 814 G HN 0.752 nan 8.290 nan 0.000 0.515 815 H N -1.616 117.420 119.070 -0.057 0.000 2.353 815 H HA -0.060 4.510 4.556 0.023 0.000 0.300 815 H C 2.125 177.418 175.328 -0.058 0.000 1.090 815 H CA 1.523 57.557 56.048 -0.023 0.000 1.327 815 H CB 0.110 29.805 29.762 -0.113 0.000 1.383 815 H HN 0.562 nan 8.280 nan 0.000 0.508 816 Y N 0.411 120.828 120.300 0.194 0.000 2.561 816 Y HA -0.079 4.485 4.550 0.023 0.000 0.291 816 Y C 1.995 177.973 175.900 0.129 0.000 1.141 816 Y CA 0.447 58.623 58.100 0.127 0.000 1.303 816 Y CB 0.349 38.871 38.460 0.103 0.000 1.015 816 Y HN 0.198 nan 8.280 nan 0.000 0.547 817 Q N -0.440 119.514 119.800 0.256 0.000 2.350 817 Q HA 0.318 4.671 4.340 0.023 0.000 0.225 817 Q C 0.953 177.131 176.000 0.296 0.000 0.878 817 Q CA 0.290 56.244 55.803 0.251 0.000 0.935 817 Q CB 0.026 28.914 28.738 0.250 0.000 1.099 817 Q HN 0.276 nan 8.270 nan 0.000 0.527 818 A N 2.859 125.867 122.820 0.313 0.000 2.587 818 A HA 0.057 4.391 4.320 0.023 0.000 0.233 818 A C 0.204 178.068 177.584 0.467 0.000 1.049 818 A CA 0.500 52.787 52.037 0.418 0.000 0.754 818 A CB -0.049 19.249 19.000 0.497 0.000 0.977 818 A HN 0.260 nan 8.150 nan 0.000 0.509 819 E N 1.118 121.538 120.200 0.366 0.000 2.256 819 E HA 0.613 4.977 4.350 0.023 0.000 0.268 819 E C -0.520 176.005 176.600 -0.126 0.000 0.877 819 E CA -0.726 55.792 56.400 0.196 0.000 0.757 819 E CB 1.691 31.476 29.700 0.142 0.000 1.183 819 E HN 0.816 nan 8.360 nan 0.000 0.418 820 A N 2.559 125.159 122.820 -0.366 0.000 2.488 820 A HA 0.499 4.833 4.320 0.023 0.000 0.249 820 A C -0.015 177.415 177.584 -0.255 0.000 1.083 820 A CA 0.156 51.715 52.037 -0.797 0.000 0.768 820 A CB 0.219 18.873 19.000 -0.577 0.000 1.017 820 A HN 0.707 nan 8.150 nan 0.000 0.496 821 A N 3.045 125.728 122.820 -0.229 0.000 2.291 821 A HA 0.556 4.889 4.320 0.023 0.000 0.311 821 A C -0.360 177.190 177.584 -0.057 0.000 1.224 821 A CA -0.605 51.388 52.037 -0.073 0.000 0.821 821 A CB 0.405 19.372 19.000 -0.055 0.000 1.172 821 A HN 1.286 nan 8.150 nan 0.000 0.494 822 L N 3.230 124.421 121.223 -0.054 0.000 2.534 822 L HA 0.190 4.544 4.340 0.023 0.000 0.271 822 L C 0.441 177.199 176.870 -0.188 0.000 1.178 822 L CA 0.568 55.270 54.840 -0.229 0.000 0.907 822 L CB 0.032 41.981 42.059 -0.182 0.000 1.164 822 L HN 0.768 nan 8.230 nan 0.000 0.482 823 L N 3.570 124.651 121.223 -0.238 0.000 2.537 823 L HA 0.324 4.678 4.340 0.023 0.000 0.224 823 L C 0.466 177.270 176.870 -0.110 0.000 1.065 823 L CA 0.031 54.797 54.840 -0.123 0.000 0.860 823 L CB 0.090 42.105 42.059 -0.072 0.000 1.086 823 L HN 0.747 nan 8.230 nan 0.000 0.482 824 Q N -0.429 119.273 119.800 -0.164 0.000 2.479 824 Q HA 0.311 4.665 4.340 0.023 0.000 0.276 824 Q C -2.053 173.884 176.000 -0.106 0.000 0.989 824 Q CA -0.517 55.228 55.803 -0.097 0.000 0.864 824 Q CB 2.953 31.657 28.738 -0.057 0.000 1.444 824 Q HN 0.029 nan 8.270 nan 0.000 0.388 825 C N 3.224 122.511 119.300 -0.022 0.000 3.140 825 C HA 0.614 5.088 4.460 0.023 0.000 0.374 825 C C -0.774 174.303 174.990 0.144 0.000 1.055 825 C CA 0.456 59.504 59.018 0.051 0.000 1.315 825 C CB 0.166 27.955 27.740 0.082 0.000 1.732 825 C HN 0.828 nan 8.230 nan 0.000 0.532 826 T N 1.934 116.483 114.554 -0.007 0.000 2.926 826 T HA 0.936 5.299 4.350 0.023 0.000 0.289 826 T C -0.359 174.042 174.700 -0.498 0.000 1.054 826 T CA -0.238 61.788 62.100 -0.123 0.000 1.015 826 T CB 2.034 70.851 68.868 -0.084 0.000 1.167 826 T HN 1.748 nan 8.240 nan 0.000 0.526 827 A N 1.055 123.475 122.820 -0.667 0.000 2.422 827 A HA 0.729 5.063 4.320 0.023 0.000 0.302 827 A C -1.399 175.948 177.584 -0.395 0.000 1.041 827 A CA -0.762 50.813 52.037 -0.770 0.000 0.708 827 A CB 1.374 19.501 19.000 -1.455 0.000 1.257 827 A HN 0.844 nan 8.150 nan 0.000 0.414 828 D N 0.742 120.963 120.400 -0.297 0.000 2.601 828 D HA 0.573 5.226 4.640 0.023 0.000 0.230 828 D C -0.978 175.221 176.300 -0.169 0.000 1.106 828 D CA 0.011 53.899 54.000 -0.186 0.000 0.873 828 D CB 2.419 43.136 40.800 -0.138 0.000 1.515 828 D HN 0.388 nan 8.370 nan 0.000 0.468 829 T N 1.512 115.989 114.554 -0.127 0.000 2.770 829 T HA 0.479 4.843 4.350 0.023 0.000 0.283 829 T C 0.442 175.094 174.700 -0.081 0.000 0.988 829 T CA -0.486 61.547 62.100 -0.112 0.000 0.957 829 T CB 0.802 69.605 68.868 -0.109 0.000 0.930 829 T HN 0.081 nan 8.240 nan 0.000 0.443 830 L N 1.573 122.752 121.223 -0.072 0.000 2.416 830 L HA 0.566 4.919 4.340 0.023 0.000 0.263 830 L C 1.926 178.774 176.870 -0.037 0.000 1.065 830 L CA -1.116 53.693 54.840 -0.051 0.000 0.798 830 L CB 0.410 42.439 42.059 -0.049 0.000 1.267 830 L HN 0.713 nan 8.230 nan 0.000 0.467 831 A N 0.485 123.289 122.820 -0.026 0.000 2.139 831 A HA -0.166 4.168 4.320 0.023 0.000 0.221 831 A C 0.970 178.548 177.584 -0.010 0.000 1.159 831 A CA 2.054 54.081 52.037 -0.016 0.000 0.662 831 A CB -0.557 18.436 19.000 -0.011 0.000 0.796 831 A HN 0.913 nan 8.150 nan 0.000 0.463 832 D N -3.655 116.737 120.400 -0.013 0.000 2.704 832 D HA 0.494 5.148 4.640 0.023 0.000 0.291 832 D C -0.125 176.167 176.300 -0.013 0.000 1.610 832 D CA 0.690 54.688 54.000 -0.004 0.000 0.807 832 D CB -0.479 40.324 40.800 0.004 0.000 1.233 832 D HN 0.543 nan 8.370 nan 0.000 0.445 833 A N -0.532 122.268 122.820 -0.033 0.000 2.540 833 A HA 0.589 4.923 4.320 0.023 0.000 0.291 833 A C -1.900 175.633 177.584 -0.086 0.000 1.083 833 A CA -0.631 51.372 52.037 -0.057 0.000 0.650 833 A CB 1.423 20.388 19.000 -0.059 0.000 1.292 833 A HN 0.045 nan 8.150 nan 0.000 0.435 834 V N 0.571 120.412 119.914 -0.122 0.000 2.495 834 V HA 0.626 4.760 4.120 0.023 0.000 0.298 834 V C -0.965 175.019 176.094 -0.184 0.000 1.031 834 V CA -0.407 61.798 62.300 -0.158 0.000 0.871 834 V CB 1.372 33.095 31.823 -0.167 0.000 0.988 834 V HN 0.844 nan 8.190 nan 0.000 0.432 835 L N 6.575 127.681 121.223 -0.195 0.000 2.316 835 L HA 0.602 4.955 4.340 0.023 0.000 0.280 835 L C -0.746 175.966 176.870 -0.263 0.000 1.006 835 L CA 0.017 54.746 54.840 -0.184 0.000 0.836 835 L CB 1.085 43.067 42.059 -0.128 0.000 1.221 835 L HN 0.410 nan 8.230 nan 0.000 0.418 836 I N 4.429 124.825 120.570 -0.290 0.000 2.312 836 I HA 0.321 4.505 4.170 0.023 0.000 0.290 836 I C -0.002 176.054 176.117 -0.103 0.000 1.008 836 I CA -0.121 60.948 61.300 -0.384 0.000 1.226 836 I CB 1.193 38.696 38.000 -0.828 0.000 1.371 836 I HN 0.547 nan 8.210 nan 0.000 0.468 837 T N 5.384 119.873 114.554 -0.109 0.000 2.771 837 T HA 0.572 4.936 4.350 0.023 0.000 0.281 837 T C 0.411 175.124 174.700 0.021 0.000 0.982 837 T CA -0.508 61.585 62.100 -0.011 0.000 0.978 837 T CB 1.454 70.297 68.868 -0.042 0.000 0.930 837 T HN 0.748 nan 8.240 nan 0.000 0.447 838 T N -0.424 114.189 114.554 0.098 0.000 2.901 838 T HA 0.873 5.237 4.350 0.023 0.000 0.293 838 T C -1.127 173.597 174.700 0.040 0.000 1.084 838 T CA -1.131 61.005 62.100 0.059 0.000 1.008 838 T CB 2.052 71.017 68.868 0.162 0.000 1.170 838 T HN 0.750 nan 8.240 nan 0.000 0.509 839 A N 1.357 124.109 122.820 -0.113 0.000 2.465 839 A HA 0.709 5.043 4.320 0.023 0.000 0.292 839 A C -1.428 176.014 177.584 -0.238 0.000 1.041 839 A CA -0.766 51.245 52.037 -0.043 0.000 0.718 839 A CB 0.705 19.697 19.000 -0.013 0.000 1.266 839 A HN 0.997 nan 8.150 nan 0.000 0.403 840 H N 0.336 119.474 119.070 0.114 0.000 2.747 840 H HA 0.797 5.366 4.556 0.023 0.000 0.371 840 H C 0.040 175.420 175.328 0.086 0.000 1.161 840 H CA 0.229 56.269 56.048 -0.013 0.000 1.167 840 H CB 2.164 31.816 29.762 -0.183 0.000 1.732 840 H HN 0.985 nan 8.280 nan 0.000 0.544 841 A N 2.012 124.870 122.820 0.064 0.000 2.343 841 A HA 0.399 4.733 4.320 0.023 0.000 0.316 841 A C -1.394 176.208 177.584 0.031 0.000 1.104 841 A CA -0.690 51.435 52.037 0.147 0.000 0.768 841 A CB 1.074 20.122 19.000 0.080 0.000 1.213 841 A HN 0.589 nan 8.150 nan 0.000 0.456 842 W N 2.068 123.462 121.300 0.157 0.000 2.376 842 W HA 0.448 5.122 4.660 0.023 0.000 0.312 842 W C -0.404 176.128 176.519 0.023 0.000 1.060 842 W CA -0.096 57.334 57.345 0.141 0.000 1.221 842 W CB 1.736 31.321 29.460 0.209 0.000 1.281 842 W HN 0.768 nan 8.180 nan 0.000 0.456 843 Q N 1.426 121.344 119.800 0.196 0.000 2.451 843 Q HA 0.374 4.727 4.340 0.023 0.000 0.281 843 Q C -1.366 174.753 176.000 0.200 0.000 1.099 843 Q CA -1.011 54.873 55.803 0.136 0.000 0.806 843 Q CB 3.417 32.200 28.738 0.076 0.000 1.419 843 Q HN 0.396 nan 8.270 nan 0.000 0.427 844 H N 0.720 119.824 119.070 0.057 0.000 3.096 844 H HA 0.151 4.721 4.556 0.023 0.000 0.335 844 H C -1.259 174.098 175.328 0.048 0.000 0.990 844 H CA -0.099 55.991 56.048 0.070 0.000 1.393 844 H CB 0.715 30.530 29.762 0.088 0.000 1.742 844 H HN 0.688 nan 8.280 nan 0.000 0.501 845 Q N 3.790 123.378 119.800 -0.354 0.000 2.463 845 Q HA -0.207 4.147 4.340 0.023 0.000 0.299 845 Q C 0.856 176.806 176.000 -0.084 0.000 1.353 845 Q CA 1.030 56.687 55.803 -0.244 0.000 0.828 845 Q CB -1.538 27.023 28.738 -0.294 0.000 1.157 845 Q HN 1.300 nan 8.270 nan 0.000 0.436 846 G N -0.081 108.694 108.800 -0.043 0.000 2.153 846 G HA2 -0.353 3.621 3.960 0.023 0.000 0.252 846 G HA3 -0.353 3.621 3.960 0.023 0.000 0.252 846 G C -0.107 174.798 174.900 0.007 0.000 0.994 846 G CA 0.724 45.818 45.100 -0.011 0.000 0.698 846 G HN 0.299 nan 8.290 nan 0.000 0.521 847 K N 1.168 121.581 120.400 0.022 0.000 2.358 847 K HA 0.622 4.956 4.320 0.023 0.000 0.260 847 K C 0.185 176.800 176.600 0.025 0.000 0.956 847 K CA -0.417 55.887 56.287 0.029 0.000 0.834 847 K CB 0.868 33.396 32.500 0.046 0.000 1.102 847 K HN -0.012 nan 8.250 nan 0.000 0.431 848 T N 6.258 120.819 114.554 0.011 0.000 2.752 848 T HA 0.169 4.532 4.350 0.023 0.000 0.295 848 T C 1.170 175.821 174.700 -0.082 0.000 0.923 848 T CA -0.188 61.914 62.100 0.004 0.000 1.112 848 T CB 0.204 69.091 68.868 0.030 0.000 0.884 848 T HN 0.523 nan 8.240 nan 0.000 0.525 849 L N 2.289 123.381 121.223 -0.219 0.000 2.130 849 L HA 0.313 4.667 4.340 0.023 0.000 0.200 849 L C -0.113 176.259 176.870 -0.830 0.000 1.075 849 L CA 0.842 55.280 54.840 -0.671 0.000 0.768 849 L CB 0.049 41.421 42.059 -1.145 0.000 0.933 849 L HN 0.486 nan 8.230 nan 0.000 0.451 850 F N -0.861 119.046 119.950 -0.071 0.000 2.576 850 F HA 0.568 5.109 4.527 0.023 0.000 0.313 850 F C -0.382 175.522 175.800 0.172 0.000 1.078 850 F CA -1.006 56.889 58.000 -0.174 0.000 0.921 850 F CB 1.588 40.034 39.000 -0.923 0.000 1.232 850 F HN -0.284 nan 8.300 nan 0.000 0.459 851 I N 1.629 122.424 120.570 0.374 0.000 2.447 851 I HA 0.363 4.546 4.170 0.023 0.000 0.287 851 I C -0.799 175.585 176.117 0.444 0.000 1.023 851 I CA -0.495 61.048 61.300 0.406 0.000 1.083 851 I CB 2.103 40.250 38.000 0.245 0.000 1.245 851 I HN 0.573 nan 8.210 nan 0.000 0.434 852 S N 7.213 123.282 115.700 0.615 0.000 2.498 852 S HA 0.574 5.058 4.470 0.023 0.000 0.317 852 S C -0.674 174.182 174.600 0.426 0.000 1.090 852 S CA -0.676 57.858 58.200 0.557 0.000 1.089 852 S CB 0.765 64.435 63.200 0.784 0.000 0.997 852 S HN 0.563 nan 8.310 nan 0.000 0.470 853 R N 3.547 124.212 120.500 0.274 0.000 2.437 853 R HA 0.551 4.904 4.340 0.023 0.000 0.310 853 R C -0.647 175.730 176.300 0.129 0.000 0.955 853 R CA -0.756 55.457 56.100 0.189 0.000 0.851 853 R CB 1.817 32.197 30.300 0.132 0.000 1.161 853 R HN 0.572 nan 8.270 nan 0.000 0.446 854 K N 0.700 121.172 120.400 0.120 0.000 2.433 854 K HA 0.529 4.862 4.320 0.023 0.000 0.252 854 K C -0.721 175.864 176.600 -0.025 0.000 1.015 854 K CA -0.939 55.342 56.287 -0.009 0.000 0.860 854 K CB 2.469 34.941 32.500 -0.046 0.000 1.359 854 K HN 0.631 nan 8.250 nan 0.000 0.452 855 T N -1.419 113.032 114.554 -0.171 0.000 2.993 855 T HA 0.497 4.860 4.350 0.023 0.000 0.312 855 T C -1.483 173.090 174.700 -0.212 0.000 1.115 855 T CA -0.778 61.273 62.100 -0.083 0.000 1.027 855 T CB 0.399 69.238 68.868 -0.049 0.000 1.116 855 T HN 0.394 nan 8.240 nan 0.000 0.464 856 Y N 1.187 121.445 120.300 -0.070 0.000 2.328 856 Y HA 0.664 5.228 4.550 0.023 0.000 0.336 856 Y C 0.553 176.369 175.900 -0.140 0.000 0.960 856 Y CA -1.118 56.947 58.100 -0.059 0.000 1.134 856 Y CB 1.937 40.365 38.460 -0.052 0.000 1.166 856 Y HN 0.656 nan 8.280 nan 0.000 0.464 857 R N 4.528 125.039 120.500 0.018 0.000 2.371 857 R HA 0.606 4.959 4.340 0.023 0.000 0.312 857 R C -1.629 174.613 176.300 -0.097 0.000 0.980 857 R CA -0.356 55.712 56.100 -0.053 0.000 0.867 857 R CB 0.494 30.774 30.300 -0.033 0.000 1.163 857 R HN 0.761 nan 8.270 nan 0.000 0.492 858 I N 4.750 125.201 120.570 -0.198 0.000 2.339 858 I HA 0.231 4.414 4.170 0.023 0.000 0.290 858 I C -0.245 175.757 176.117 -0.191 0.000 0.994 858 I CA -0.781 60.330 61.300 -0.314 0.000 1.191 858 I CB 1.505 39.091 38.000 -0.689 0.000 1.343 858 I HN 0.649 nan 8.210 nan 0.000 0.458 859 D N 3.976 124.311 120.400 -0.108 0.000 2.569 859 D HA 0.296 4.949 4.640 0.023 0.000 0.266 859 D C 1.329 177.633 176.300 0.006 0.000 1.164 859 D CA -0.713 53.264 54.000 -0.038 0.000 1.071 859 D CB 0.628 41.425 40.800 -0.003 0.000 1.183 859 D HN 0.460 nan 8.370 nan 0.000 0.613 860 G N -1.374 107.450 108.800 0.040 0.000 2.586 860 G HA2 -0.161 3.812 3.960 0.023 0.000 0.215 860 G HA3 -0.161 3.812 3.960 0.023 0.000 0.215 860 G C 1.060 176.020 174.900 0.100 0.000 1.128 860 G CA 0.952 46.100 45.100 0.079 0.000 0.774 860 G HN 0.505 nan 8.290 nan 0.000 0.543 861 S N -1.200 114.553 115.700 0.089 0.000 2.575 861 S HA 0.386 4.870 4.470 0.023 0.000 0.215 861 S C 1.726 176.396 174.600 0.116 0.000 0.966 861 S CA 0.844 59.101 58.200 0.095 0.000 0.911 861 S CB 0.135 63.388 63.200 0.088 0.000 0.780 861 S HN 1.393 nan 8.310 nan 0.000 0.514 862 G N 0.689 109.576 108.800 0.146 0.000 2.136 862 G HA2 -0.234 3.740 3.960 0.023 0.000 0.242 862 G HA3 -0.234 3.740 3.960 0.023 0.000 0.242 862 G C -0.264 174.785 174.900 0.248 0.000 0.989 862 G CA 0.051 45.313 45.100 0.270 0.000 0.682 862 G HN 0.601 nan 8.290 nan 0.000 0.522 863 Q N -0.612 119.262 119.800 0.124 0.000 2.256 863 Q HA 0.654 5.008 4.340 0.023 0.000 0.257 863 Q C 0.126 176.149 176.000 0.038 0.000 0.936 863 Q CA -0.521 55.357 55.803 0.124 0.000 0.903 863 Q CB 1.645 30.450 28.738 0.111 0.000 1.263 863 Q HN 0.424 nan 8.270 nan 0.000 0.440 864 M N 2.220 121.880 119.600 0.099 0.000 2.072 864 M HA 0.497 4.990 4.480 0.023 0.000 0.331 864 M C -1.305 175.090 176.300 0.157 0.000 1.004 864 M CA -0.517 54.813 55.300 0.049 0.000 0.952 864 M CB 0.914 33.547 32.600 0.056 0.000 1.511 864 M HN 0.686 nan 8.290 nan 0.000 0.422 865 A N 7.200 130.075 122.820 0.092 0.000 2.310 865 A HA 0.560 4.893 4.320 0.023 0.000 0.300 865 A C -0.586 177.028 177.584 0.050 0.000 1.269 865 A CA -0.504 51.588 52.037 0.091 0.000 0.909 865 A CB -0.277 18.758 19.000 0.057 0.000 1.144 865 A HN 0.922 nan 8.150 nan 0.000 0.540 866 I N 2.938 123.538 120.570 0.050 0.000 2.312 866 I HA 0.253 4.437 4.170 0.023 0.000 0.290 866 I C -0.034 175.989 176.117 -0.158 0.000 1.008 866 I CA -0.096 61.135 61.300 -0.116 0.000 1.226 866 I CB 1.673 39.646 38.000 -0.044 0.000 1.371 866 I HN 0.463 nan 8.210 nan 0.000 0.468 867 T N 5.987 120.407 114.554 -0.224 0.000 2.794 867 T HA 0.519 4.882 4.350 0.023 0.000 0.280 867 T C -0.204 174.308 174.700 -0.312 0.000 0.987 867 T CA -0.470 61.504 62.100 -0.211 0.000 0.993 867 T CB 1.801 70.638 68.868 -0.051 0.000 0.939 867 T HN 0.218 nan 8.240 nan 0.000 0.449 868 V N 3.890 123.496 119.914 -0.514 0.000 2.443 868 V HA 0.402 4.536 4.120 0.023 0.000 0.293 868 V C -0.733 175.165 176.094 -0.327 0.000 1.021 868 V CA -0.921 61.080 62.300 -0.499 0.000 0.848 868 V CB 1.859 33.116 31.823 -0.943 0.000 0.998 868 V HN 0.859 nan 8.190 nan 0.000 0.424 869 D N 3.900 124.285 120.400 -0.024 0.000 2.440 869 D HA 0.479 5.133 4.640 0.023 0.000 0.239 869 D C -0.775 175.636 176.300 0.186 0.000 1.084 869 D CA -0.106 53.975 54.000 0.136 0.000 0.843 869 D CB 2.737 43.644 40.800 0.177 0.000 1.097 869 D HN 0.248 nan 8.370 nan 0.000 0.531 870 V N 2.410 122.473 119.914 0.249 0.000 2.547 870 V HA 0.271 4.405 4.120 0.023 0.000 0.299 870 V C 0.205 176.453 176.094 0.256 0.000 1.040 870 V CA -0.650 61.825 62.300 0.292 0.000 0.913 870 V CB 2.369 34.412 31.823 0.367 0.000 0.992 870 V HN 0.368 nan 8.190 nan 0.000 0.449 871 E N 2.441 122.782 120.200 0.234 0.000 2.171 871 E HA 0.592 4.956 4.350 0.023 0.000 0.271 871 E C -1.556 175.173 176.600 0.216 0.000 0.916 871 E CA -0.536 55.978 56.400 0.190 0.000 0.774 871 E CB 2.445 32.239 29.700 0.156 0.000 1.128 871 E HN 0.414 nan 8.360 nan 0.000 0.403 872 V N 2.462 122.506 119.914 0.216 0.000 2.376 872 V HA 0.332 4.466 4.120 0.023 0.000 0.287 872 V C 0.106 176.308 176.094 0.180 0.000 1.015 872 V CA -0.915 61.546 62.300 0.269 0.000 0.834 872 V CB 1.325 33.353 31.823 0.341 0.000 1.001 872 V HN 0.829 nan 8.190 nan 0.000 0.428 873 A N 3.724 126.606 122.820 0.103 0.000 2.567 873 A HA 0.248 4.582 4.320 0.023 0.000 0.240 873 A C 1.660 179.314 177.584 0.117 0.000 1.053 873 A CA 0.665 52.746 52.037 0.072 0.000 0.755 873 A CB 0.232 19.237 19.000 0.009 0.000 0.978 873 A HN 1.331 nan 8.150 nan 0.000 0.507 874 S N 1.450 117.216 115.700 0.109 0.000 2.419 874 S HA -0.165 4.319 4.470 0.023 0.000 0.233 874 S C 1.006 175.675 174.600 0.114 0.000 1.016 874 S CA 1.286 59.568 58.200 0.136 0.000 0.974 874 S CB -0.285 62.977 63.200 0.102 0.000 0.786 874 S HN 0.844 nan 8.310 nan 0.000 0.492 875 D N 0.618 121.060 120.400 0.070 0.000 2.319 875 D HA 0.085 4.738 4.640 0.023 0.000 0.230 875 D C 0.343 176.663 176.300 0.032 0.000 1.094 875 D CA 0.077 54.101 54.000 0.039 0.000 0.856 875 D CB -0.245 40.569 40.800 0.025 0.000 0.915 875 D HN 0.327 nan 8.370 nan 0.000 0.517 876 T N 1.696 116.294 114.554 0.073 0.000 2.859 876 T HA 0.372 4.735 4.350 0.023 0.000 0.281 876 T C -2.671 172.112 174.700 0.138 0.000 1.005 876 T CA -1.966 60.200 62.100 0.111 0.000 1.025 876 T CB 1.638 70.599 68.868 0.156 0.000 0.977 876 T HN -0.116 nan 8.240 nan 0.000 0.458 877 P HA 0.046 nan 4.420 nan 0.000 0.264 877 P C -0.468 177.118 177.300 0.477 0.000 1.183 877 P CA -0.155 63.009 63.100 0.107 0.000 0.763 877 P CB 0.215 31.929 31.700 0.025 0.000 0.807 878 H N 3.640 123.075 119.070 0.608 0.000 3.125 878 H HA 0.043 4.612 4.556 0.023 0.000 0.310 878 H C -1.618 174.101 175.328 0.651 0.000 0.980 878 H CA -1.381 54.992 56.048 0.542 0.000 1.422 878 H CB -0.824 29.196 29.762 0.430 0.000 1.432 878 H HN 0.394 nan 8.280 nan 0.000 0.577 879 P HA 0.024 nan 4.420 nan 0.000 0.272 879 P C 0.394 177.644 177.300 -0.082 0.000 1.223 879 P CA -0.181 63.013 63.100 0.156 0.000 0.784 879 P CB 0.825 32.424 31.700 -0.169 0.000 0.923 880 A N 3.719 126.237 122.820 -0.503 0.000 1.972 880 A HA -0.112 4.222 4.320 0.023 0.000 0.219 880 A C 1.082 178.297 177.584 -0.614 0.000 1.169 880 A CA 1.378 53.056 52.037 -0.598 0.000 0.635 880 A CB -0.529 17.859 19.000 -1.020 0.000 0.810 880 A HN 0.774 nan 8.150 nan 0.000 0.446 881 R N -2.891 117.277 120.500 -0.554 0.000 2.712 881 R HA 0.713 5.067 4.340 0.023 0.000 0.272 881 R C -1.637 174.414 176.300 -0.415 0.000 1.032 881 R CA -0.753 55.035 56.100 -0.520 0.000 0.874 881 R CB 0.731 30.674 30.300 -0.595 0.000 1.256 881 R HN -0.006 nan 8.270 nan 0.000 0.468 882 I N 1.318 121.678 120.570 -0.350 0.000 2.517 882 I HA 0.683 4.866 4.170 0.023 0.000 0.280 882 I C -0.374 175.506 176.117 -0.395 0.000 1.061 882 I CA -0.397 60.712 61.300 -0.319 0.000 1.091 882 I CB 1.753 39.654 38.000 -0.165 0.000 1.205 882 I HN 0.990 nan 8.210 nan 0.000 0.459 883 G N 5.940 114.435 108.800 -0.508 0.000 2.578 883 G HA2 0.714 4.688 3.960 0.023 0.000 0.302 883 G HA3 0.714 4.688 3.960 0.023 0.000 0.302 883 G C -1.706 172.998 174.900 -0.326 0.000 1.243 883 G CA -0.574 44.254 45.100 -0.453 0.000 0.843 883 G HN 0.276 nan 8.290 nan 0.000 0.486 884 L N 0.916 121.999 121.223 -0.233 0.000 2.333 884 L HA 0.661 5.015 4.340 0.023 0.000 0.263 884 L C -0.777 175.979 176.870 -0.190 0.000 1.014 884 L CA -1.149 53.596 54.840 -0.160 0.000 0.820 884 L CB 2.482 44.534 42.059 -0.011 0.000 1.352 884 L HN 0.815 nan 8.230 nan 0.000 0.421 885 N N 0.607 119.230 118.700 -0.129 0.000 2.494 885 N HA 0.689 5.442 4.740 0.023 0.000 0.270 885 N C -1.304 174.209 175.510 0.004 0.000 1.285 885 N CA -0.523 52.482 53.050 -0.074 0.000 0.812 885 N CB 2.469 40.935 38.487 -0.035 0.000 1.557 885 N HN 0.862 nan 8.380 nan 0.000 0.487 886 C N -1.010 118.306 119.300 0.026 0.000 3.312 886 C HA 0.561 5.034 4.460 0.023 0.000 0.332 886 C C -1.187 173.632 174.990 -0.285 0.000 1.340 886 C CA -0.824 58.163 59.018 -0.053 0.000 1.265 886 C CB 1.039 28.771 27.740 -0.013 0.000 1.563 886 C HN 0.873 nan 8.230 nan 0.000 0.471 887 Q N 1.660 121.076 119.800 -0.641 0.000 2.400 887 Q HA 0.616 4.969 4.340 0.023 0.000 0.255 887 Q C -1.023 174.680 176.000 -0.495 0.000 1.008 887 Q CA -0.443 54.723 55.803 -1.061 0.000 0.841 887 Q CB 0.745 28.436 28.738 -1.746 0.000 1.220 887 Q HN 0.787 nan 8.270 nan 0.000 0.474 888 L N 3.252 124.296 121.223 -0.297 0.000 2.410 888 L HA 0.158 4.512 4.340 0.023 0.000 0.273 888 L C 1.331 178.142 176.870 -0.098 0.000 1.152 888 L CA -0.164 54.631 54.840 -0.075 0.000 0.855 888 L CB 0.729 42.860 42.059 0.120 0.000 1.129 888 L HN 0.835 nan 8.230 nan 0.000 0.463 889 A N 2.979 125.759 122.820 -0.067 0.000 2.019 889 A HA -0.129 4.204 4.320 0.023 0.000 0.219 889 A C 1.145 178.712 177.584 -0.029 0.000 1.164 889 A CA 1.009 53.001 52.037 -0.075 0.000 0.644 889 A CB -0.213 18.739 19.000 -0.080 0.000 0.805 889 A HN 0.826 nan 8.150 nan 0.000 0.449 890 Q N -0.604 119.213 119.800 0.029 0.000 2.199 890 Q HA 0.545 4.898 4.340 0.023 0.000 0.232 890 Q C -1.630 174.399 176.000 0.049 0.000 0.969 890 Q CA -0.428 55.387 55.803 0.019 0.000 0.925 890 Q CB 1.378 30.118 28.738 0.003 0.000 1.198 890 Q HN 0.146 nan 8.270 nan 0.000 0.494 891 V N 1.565 121.474 119.914 -0.008 0.000 2.524 891 V HA 0.653 4.786 4.120 0.023 0.000 0.297 891 V C -0.811 175.239 176.094 -0.073 0.000 1.035 891 V CA -0.601 61.720 62.300 0.034 0.000 0.867 891 V CB 1.144 32.983 31.823 0.027 0.000 1.004 891 V HN 0.873 nan 8.190 nan 0.000 0.426 892 A N 3.081 125.812 122.820 -0.149 0.000 2.313 892 A HA 0.783 5.117 4.320 0.023 0.000 0.323 892 A C 0.591 178.190 177.584 0.025 0.000 1.133 892 A CA -0.436 51.480 52.037 -0.201 0.000 0.847 892 A CB 1.316 19.980 19.000 -0.560 0.000 1.308 892 A HN 0.801 nan 8.150 nan 0.000 0.475 893 E N -0.361 119.850 120.200 0.018 0.000 2.250 893 E HA 0.032 4.396 4.350 0.023 0.000 0.192 893 E C -0.019 176.650 176.600 0.116 0.000 0.986 893 E CA 0.441 56.881 56.400 0.065 0.000 0.849 893 E CB 0.251 29.971 29.700 0.033 0.000 0.797 893 E HN 0.400 nan 8.360 nan 0.000 0.482 894 R N 0.321 120.902 120.500 0.135 0.000 2.854 894 R HA 0.535 4.889 4.340 0.023 0.000 0.271 894 R C -0.740 175.740 176.300 0.300 0.000 0.996 894 R CA -0.886 55.324 56.100 0.183 0.000 0.961 894 R CB 1.858 32.234 30.300 0.127 0.000 1.182 894 R HN -0.196 nan 8.270 nan 0.000 0.479 895 V N 1.830 121.933 119.914 0.314 0.000 2.525 895 V HA 0.352 4.486 4.120 0.023 0.000 0.299 895 V C -0.321 176.041 176.094 0.446 0.000 1.034 895 V CA -0.949 61.577 62.300 0.378 0.000 0.863 895 V CB 1.846 33.839 31.823 0.283 0.000 0.999 895 V HN 0.643 nan 8.190 nan 0.000 0.423 896 N N 4.277 123.213 118.700 0.394 0.000 2.321 896 N HA 0.604 5.358 4.740 0.023 0.000 0.299 896 N C -1.420 174.353 175.510 0.439 0.000 1.048 896 N CA -0.383 52.873 53.050 0.343 0.000 0.836 896 N CB 2.832 41.417 38.487 0.163 0.000 1.269 896 N HN 0.824 nan 8.380 nan 0.000 0.486 897 W N 3.163 124.495 121.300 0.052 0.000 3.363 897 W HA 0.489 5.162 4.660 0.022 0.000 0.306 897 W C -2.233 174.244 176.519 -0.071 0.000 1.253 897 W CA -1.050 56.299 57.345 0.007 0.000 1.195 897 W CB 0.468 29.960 29.460 0.052 0.000 1.366 897 W HN 0.227 nan 8.180 nan 0.000 0.551 898 L N 4.819 126.012 121.223 -0.050 0.000 2.283 898 L HA 0.907 5.260 4.340 0.023 0.000 0.281 898 L C 0.050 176.726 176.870 -0.324 0.000 1.033 898 L CA 0.498 55.111 54.840 -0.377 0.000 0.848 898 L CB 0.414 42.331 42.059 -0.236 0.000 1.226 898 L HN 0.983 nan 8.230 nan 0.000 0.429 899 G N 3.702 112.199 108.800 -0.505 0.000 2.364 899 G HA2 0.229 4.202 3.960 0.023 0.000 0.286 899 G HA3 0.229 4.202 3.960 0.023 0.000 0.286 899 G C -1.549 173.384 174.900 0.055 0.000 1.241 899 G CA -1.036 43.988 45.100 -0.126 0.000 0.887 899 G HN 0.378 nan 8.290 nan 0.000 0.484 900 L N 1.158 122.553 121.223 0.286 0.000 2.367 900 L HA 0.593 4.946 4.340 0.023 0.000 0.275 900 L C 1.063 178.056 176.870 0.206 0.000 1.129 900 L CA 0.736 55.711 54.840 0.225 0.000 0.839 900 L CB 0.466 42.609 42.059 0.139 0.000 1.133 900 L HN 1.132 nan 8.230 nan 0.000 0.453 901 G N 2.988 111.697 108.800 -0.152 0.000 2.435 901 G HA2 0.221 4.195 3.960 0.023 0.000 0.296 901 G HA3 0.221 4.195 3.960 0.023 0.000 0.296 901 G C -2.693 171.397 174.900 -1.350 0.000 1.240 901 G CA -0.209 44.463 45.100 -0.714 0.000 0.872 901 G HN 0.330 nan 8.290 nan 0.000 0.480 902 P HA 0.047 nan 4.420 nan 0.000 0.227 902 P C 0.389 177.497 177.300 -0.320 0.000 1.161 902 P CA 0.669 63.100 63.100 -1.116 0.000 0.788 902 P CB 0.453 31.605 31.700 -0.913 0.000 0.822 903 Q N 0.677 120.277 119.800 -0.333 0.000 2.312 903 Q HA 0.137 4.491 4.340 0.023 0.000 0.236 903 Q C 0.435 176.331 176.000 -0.173 0.000 0.965 903 Q CA -0.541 55.147 55.803 -0.192 0.000 0.894 903 Q CB 0.722 29.363 28.738 -0.162 0.000 1.225 903 Q HN 0.160 nan 8.270 nan 0.000 0.478 904 E N 1.633 121.737 120.200 -0.160 0.000 2.568 904 E HA -0.134 4.230 4.350 0.023 0.000 0.262 904 E C -1.132 175.400 176.600 -0.113 0.000 0.961 904 E CA 0.314 56.612 56.400 -0.171 0.000 0.945 904 E CB 0.250 29.907 29.700 -0.073 0.000 0.924 904 E HN 0.618 nan 8.360 nan 0.000 0.467 905 N N 2.774 121.347 118.700 -0.212 0.000 2.371 905 N HA 0.268 5.021 4.740 0.023 0.000 0.280 905 N C -1.941 173.386 175.510 -0.305 0.000 1.084 905 N CA -0.666 52.311 53.050 -0.121 0.000 0.892 905 N CB 0.636 39.062 38.487 -0.103 0.000 1.653 905 N HN 0.235 nan 8.380 nan 0.000 0.480 906 Y N 0.766 120.982 120.300 -0.140 0.000 2.587 906 Y HA 0.502 5.066 4.550 0.023 0.000 0.337 906 Y C -1.523 174.306 175.900 -0.119 0.000 1.065 906 Y CA -2.052 55.953 58.100 -0.158 0.000 1.126 906 Y CB 1.614 39.977 38.460 -0.162 0.000 1.279 906 Y HN 0.449 nan 8.280 nan 0.000 0.489 907 P HA -0.227 nan 4.420 nan 0.000 0.217 907 P C 0.411 177.586 177.300 -0.208 0.000 1.158 907 P CA 2.352 65.480 63.100 0.047 0.000 0.887 907 P CB 0.180 31.999 31.700 0.198 0.000 0.792 908 D N -2.457 117.592 120.400 -0.586 0.000 2.342 908 D HA 0.008 4.661 4.640 0.023 0.000 0.221 908 D C 0.655 176.792 176.300 -0.273 0.000 1.101 908 D CA 0.100 53.537 54.000 -0.939 0.000 0.837 908 D CB -0.315 39.687 40.800 -1.330 0.000 0.938 908 D HN 0.134 nan 8.370 nan 0.000 0.508 909 R N 1.013 121.460 120.500 -0.089 0.000 2.734 909 R HA 0.175 4.528 4.340 0.023 0.000 0.242 909 R C -0.720 175.614 176.300 0.058 0.000 1.617 909 R CA -0.159 55.958 56.100 0.027 0.000 1.572 909 R CB 0.038 30.359 30.300 0.034 0.000 1.477 909 R HN 0.106 nan 8.270 nan 0.000 0.707 910 L N -1.688 119.578 121.223 0.072 0.000 3.410 910 L HA 0.340 4.694 4.340 0.023 0.000 0.309 910 L C 1.308 178.246 176.870 0.114 0.000 1.254 910 L CA 0.094 54.977 54.840 0.073 0.000 1.048 910 L CB 0.152 42.243 42.059 0.054 0.000 1.442 910 L HN 0.093 nan 8.230 nan 0.000 0.615 911 T N -2.642 112.009 114.554 0.161 0.000 2.867 911 T HA -0.001 4.363 4.350 0.023 0.000 0.268 911 T C 1.800 176.593 174.700 0.154 0.000 1.057 911 T CA 1.338 63.570 62.100 0.219 0.000 1.136 911 T CB -0.311 68.736 68.868 0.298 0.000 0.874 911 T HN 0.386 nan 8.240 nan 0.000 0.466 912 A N 1.780 124.682 122.820 0.136 0.000 2.014 912 A HA 0.624 4.958 4.320 0.023 0.000 0.218 912 A C 1.686 179.347 177.584 0.128 0.000 1.163 912 A CA 0.600 52.670 52.037 0.056 0.000 0.652 912 A CB -1.008 18.138 19.000 0.243 0.000 0.808 912 A HN 0.844 nan 8.150 nan 0.000 0.449 913 A N -1.173 121.677 122.820 0.050 0.000 2.386 913 A HA 0.438 4.772 4.320 0.023 0.000 0.248 913 A C -0.013 177.597 177.584 0.045 0.000 1.082 913 A CA 0.038 52.063 52.037 -0.020 0.000 0.789 913 A CB -0.128 18.852 19.000 -0.034 0.000 1.025 913 A HN 0.525 nan 8.150 nan 0.000 0.490 914 C N 0.534 119.859 119.300 0.041 0.000 2.507 914 C HA 0.522 4.996 4.460 0.023 0.000 0.319 914 C C -0.163 174.945 174.990 0.196 0.000 1.208 914 C CA -0.538 58.564 59.018 0.140 0.000 1.619 914 C CB 0.637 28.475 27.740 0.163 0.000 2.230 914 C HN 0.788 nan 8.230 nan 0.000 0.492 915 F N 4.013 123.823 119.950 -0.234 0.000 2.467 915 F HA 0.484 5.025 4.527 0.023 0.000 0.362 915 F C 0.413 175.876 175.800 -0.562 0.000 1.090 915 F CA 1.371 59.067 58.000 -0.507 0.000 1.202 915 F CB 0.054 38.229 39.000 -1.375 0.000 1.113 915 F HN 0.651 nan 8.300 nan 0.000 0.541 916 D N 3.158 122.896 120.400 -1.105 0.000 2.893 916 D HA 0.140 4.793 4.640 0.023 0.000 0.346 916 D C -1.740 173.642 176.300 -1.531 0.000 1.402 916 D CA -0.731 52.529 54.000 -1.233 0.000 0.815 916 D CB 1.250 41.276 40.800 -1.290 0.000 1.403 916 D HN 0.451 nan 8.370 nan 0.000 0.484 917 R N 0.732 120.439 120.500 -1.321 0.000 2.202 917 R HA 0.519 4.872 4.340 0.023 0.000 0.334 917 R C -1.381 174.170 176.300 -1.248 0.000 1.036 917 R CA -0.092 55.390 56.100 -1.029 0.000 0.878 917 R CB 0.126 30.067 30.300 -0.598 0.000 1.067 917 R HN 0.288 nan 8.270 nan 0.000 0.457 918 W N 2.787 123.567 121.300 -0.866 0.000 2.689 918 W HA 0.428 5.102 4.660 0.023 0.000 0.340 918 W C -0.471 175.685 176.519 -0.605 0.000 1.060 918 W CA -0.716 56.061 57.345 -0.945 0.000 1.218 918 W CB 1.812 30.214 29.460 -1.763 0.000 1.410 918 W HN 0.363 nan 8.180 nan 0.000 0.528 919 D N 2.938 123.311 120.400 -0.046 0.000 2.763 919 D HA 0.501 5.155 4.640 0.023 0.000 0.235 919 D C -1.446 174.954 176.300 0.168 0.000 1.334 919 D CA -0.159 53.901 54.000 0.100 0.000 0.950 919 D CB 1.210 42.029 40.800 0.031 0.000 1.433 919 D HN 0.385 nan 8.370 nan 0.000 0.580 920 L N 3.188 124.577 121.223 0.276 0.000 2.359 920 L HA 0.579 4.932 4.340 0.023 0.000 0.256 920 L C -2.323 174.662 176.870 0.192 0.000 1.026 920 L CA -1.989 52.982 54.840 0.219 0.000 0.828 920 L CB 2.953 45.170 42.059 0.263 0.000 1.406 920 L HN 0.177 nan 8.230 nan 0.000 0.413 921 P HA 0.044 nan 4.420 nan 0.000 0.274 921 P C 0.588 177.964 177.300 0.127 0.000 1.231 921 P CA -0.442 62.730 63.100 0.120 0.000 0.790 921 P CB 1.294 33.044 31.700 0.084 0.000 0.951 922 L N 3.386 124.689 121.223 0.133 0.000 2.051 922 L HA -0.284 4.070 4.340 0.023 0.000 0.214 922 L C 2.469 179.382 176.870 0.072 0.000 1.076 922 L CA 2.944 57.849 54.840 0.109 0.000 0.758 922 L CB -1.618 40.515 42.059 0.124 0.000 0.890 922 L HN 0.508 nan 8.230 nan 0.000 0.433 923 S N -1.570 114.177 115.700 0.078 0.000 2.383 923 S HA -0.225 4.259 4.470 0.023 0.000 0.229 923 S C 1.689 176.358 174.600 0.116 0.000 1.030 923 S CA 1.330 59.592 58.200 0.105 0.000 1.002 923 S CB -0.927 62.328 63.200 0.093 0.000 0.829 923 S HN 0.553 nan 8.310 nan 0.000 0.467 924 D N 1.116 121.561 120.400 0.075 0.000 2.350 924 D HA 0.065 4.718 4.640 0.023 0.000 0.216 924 D C 1.190 177.493 176.300 0.005 0.000 0.968 924 D CA 0.635 54.658 54.000 0.038 0.000 0.894 924 D CB -0.198 40.632 40.800 0.050 0.000 0.909 924 D HN 0.375 nan 8.370 nan 0.000 0.520 925 M N -0.348 119.262 119.600 0.017 0.000 2.568 925 M HA 0.052 4.546 4.480 0.023 0.000 0.226 925 M C -0.181 176.115 176.300 -0.007 0.000 1.148 925 M CA -0.006 55.255 55.300 -0.064 0.000 1.007 925 M CB -0.941 31.610 32.600 -0.082 0.000 1.651 925 M HN -0.040 nan 8.290 nan 0.000 0.488 926 Y N -0.388 119.868 120.300 -0.074 0.000 2.373 926 Y HA 0.477 5.040 4.550 0.023 0.000 0.336 926 Y C -0.865 175.002 175.900 -0.055 0.000 0.979 926 Y CA -1.099 56.982 58.100 -0.031 0.000 1.080 926 Y CB 1.270 39.763 38.460 0.056 0.000 1.190 926 Y HN -0.114 nan 8.280 nan 0.000 0.446 927 T N 9.063 123.176 114.554 -0.736 0.000 2.733 927 T HA 0.272 4.636 4.350 0.023 0.000 0.294 927 T C -2.572 171.401 174.700 -1.212 0.000 0.956 927 T CA -1.465 60.124 62.100 -0.851 0.000 0.987 927 T CB 1.056 69.481 68.868 -0.739 0.000 0.920 927 T HN 0.474 nan 8.240 nan 0.000 0.470 928 P HA 0.072 nan 4.420 nan 0.000 0.238 928 P C -0.697 176.522 177.300 -0.134 0.000 1.714 928 P CA -0.417 62.348 63.100 -0.558 0.000 0.908 928 P CB -0.602 30.866 31.700 -0.387 0.000 1.893 929 Y N -0.154 120.139 120.300 -0.012 0.000 2.620 929 Y HA -0.097 4.466 4.550 0.023 0.000 0.330 929 Y C 2.261 178.253 175.900 0.152 0.000 1.186 929 Y CA 0.068 58.214 58.100 0.077 0.000 1.467 929 Y CB 0.112 38.534 38.460 -0.062 0.000 1.262 929 Y HN -0.094 nan 8.280 nan 0.000 0.550 930 V N 3.556 123.724 119.914 0.424 0.000 2.282 930 V HA -0.317 3.817 4.120 0.023 0.000 0.249 930 V C 0.745 177.032 176.094 0.321 0.000 1.057 930 V CA 1.547 64.064 62.300 0.362 0.000 1.032 930 V CB -0.630 31.440 31.823 0.412 0.000 0.645 930 V HN 0.612 nan 8.190 nan 0.000 0.447 931 F N 2.720 122.758 119.950 0.146 0.000 2.350 931 F HA 0.470 5.011 4.527 0.023 0.000 0.365 931 F C -2.290 173.553 175.800 0.072 0.000 1.122 931 F CA -3.442 54.593 58.000 0.059 0.000 1.139 931 F CB 0.544 39.490 39.000 -0.089 0.000 1.220 931 F HN 0.013 nan 8.300 nan 0.000 0.499 932 P HA 0.152 nan 4.420 nan 0.000 0.265 932 P C -0.984 176.130 177.300 -0.311 0.000 1.187 932 P CA 0.381 63.316 63.100 -0.276 0.000 0.766 932 P CB 0.868 32.391 31.700 -0.296 0.000 0.820 933 S N 0.127 115.786 115.700 -0.067 0.000 2.656 933 S HA 0.389 4.873 4.470 0.023 0.000 0.265 933 S C -0.956 173.669 174.600 0.041 0.000 1.132 933 S CA -1.031 57.157 58.200 -0.018 0.000 0.819 933 S CB 0.387 63.599 63.200 0.020 0.000 1.119 933 S HN 0.329 nan 8.310 nan 0.000 0.476 934 E N 1.249 121.474 120.200 0.043 0.000 2.502 934 E HA 0.379 4.743 4.350 0.023 0.000 0.261 934 E C -0.123 176.546 176.600 0.115 0.000 0.974 934 E CA 0.971 57.418 56.400 0.078 0.000 0.936 934 E CB -0.200 29.565 29.700 0.108 0.000 0.926 934 E HN 0.829 nan 8.360 nan 0.000 0.459 935 N N 1.305 120.107 118.700 0.170 0.000 3.116 935 N HA 0.468 5.222 4.740 0.023 0.000 0.244 935 N C 0.255 175.828 175.510 0.105 0.000 1.485 935 N CA -0.511 52.675 53.050 0.226 0.000 0.884 935 N CB 0.690 39.322 38.487 0.241 0.000 1.415 935 N HN 0.711 nan 8.380 nan 0.000 0.524 936 G N -1.335 107.485 108.800 0.032 0.000 2.189 936 G HA2 -0.285 3.689 3.960 0.023 0.000 0.267 936 G HA3 -0.285 3.689 3.960 0.023 0.000 0.267 936 G C -0.094 174.546 174.900 -0.433 0.000 0.975 936 G CA 0.593 45.589 45.100 -0.173 0.000 0.644 936 G HN 0.750 nan 8.290 nan 0.000 0.537 937 L N -0.136 120.775 121.223 -0.520 0.000 2.492 937 L HA 0.655 5.009 4.340 0.023 0.000 0.280 937 L C 0.641 176.943 176.870 -0.946 0.000 1.240 937 L CA 0.493 54.785 54.840 -0.913 0.000 0.831 937 L CB 0.535 41.793 42.059 -1.335 0.000 1.100 937 L HN 0.269 nan 8.230 nan 0.000 0.505 938 R N 2.073 121.964 120.500 -1.015 0.000 2.564 938 R HA 0.497 4.851 4.340 0.023 0.000 0.284 938 R C -1.118 174.908 176.300 -0.458 0.000 1.031 938 R CA -0.299 55.362 56.100 -0.732 0.000 0.904 938 R CB 1.418 31.145 30.300 -0.954 0.000 1.199 938 R HN 0.741 nan 8.270 nan 0.000 0.443 939 C N 0.143 119.295 119.300 -0.247 0.000 2.380 939 C HA 0.732 5.206 4.460 0.023 0.000 0.393 939 C C 1.335 176.333 174.990 0.012 0.000 1.284 939 C CA -0.050 58.895 59.018 -0.122 0.000 2.033 939 C CB 1.292 28.970 27.740 -0.104 0.000 2.165 939 C HN 1.028 nan 8.230 nan 0.000 0.540 940 G N 1.522 110.337 108.800 0.024 0.000 2.379 940 G HA2 -0.197 3.777 3.960 0.023 0.000 0.297 940 G HA3 -0.197 3.777 3.960 0.023 0.000 0.297 940 G C -0.016 174.957 174.900 0.121 0.000 1.004 940 G CA 0.680 45.839 45.100 0.098 0.000 0.921 940 G HN 0.807 nan 8.290 nan 0.000 0.511 941 T N 0.134 114.643 114.554 -0.075 0.000 2.771 941 T HA 0.478 4.842 4.350 0.023 0.000 0.291 941 T C 1.365 175.739 174.700 -0.544 0.000 0.954 941 T CA -0.536 61.449 62.100 -0.193 0.000 1.045 941 T CB 1.266 70.020 68.868 -0.190 0.000 0.917 941 T HN 0.230 nan 8.240 nan 0.000 0.484 942 R N 1.681 122.073 120.500 -0.181 0.000 2.282 942 R HA 0.281 4.635 4.340 0.023 0.000 0.195 942 R C 0.535 176.819 176.300 -0.026 0.000 0.909 942 R CA 0.186 56.228 56.100 -0.097 0.000 1.039 942 R CB 0.401 30.789 30.300 0.146 0.000 1.015 942 R HN 0.690 nan 8.270 nan 0.000 0.513 943 E N 0.558 120.759 120.200 0.002 0.000 2.321 943 E HA 0.310 4.674 4.350 0.023 0.000 0.281 943 E C -1.841 174.877 176.600 0.198 0.000 0.910 943 E CA -0.663 55.827 56.400 0.150 0.000 0.770 943 E CB 1.511 31.278 29.700 0.111 0.000 1.225 943 E HN -0.096 nan 8.360 nan 0.000 0.417 944 L N 4.264 125.668 121.223 0.301 0.000 2.381 944 L HA 0.580 4.934 4.340 0.023 0.000 0.274 944 L C -1.786 175.270 176.870 0.310 0.000 0.988 944 L CA -0.427 54.543 54.840 0.216 0.000 0.824 944 L CB 1.657 43.725 42.059 0.015 0.000 1.263 944 L HN 0.467 nan 8.230 nan 0.000 0.410 945 N N 4.583 123.439 118.700 0.261 0.000 2.372 945 N HA 0.407 5.160 4.740 0.023 0.000 0.285 945 N C -1.939 173.789 175.510 0.363 0.000 1.008 945 N CA -0.267 52.926 53.050 0.239 0.000 0.880 945 N CB 2.175 40.750 38.487 0.147 0.000 1.239 945 N HN 0.578 nan 8.380 nan 0.000 0.484 946 Y N 1.109 121.530 120.300 0.201 0.000 2.298 946 Y HA 0.396 4.960 4.550 0.023 0.000 0.322 946 Y C 0.669 176.657 175.900 0.146 0.000 1.138 946 Y CA 0.099 58.329 58.100 0.216 0.000 1.127 946 Y CB 0.574 39.244 38.460 0.351 0.000 1.178 946 Y HN 0.848 nan 8.280 nan 0.000 0.428 947 G N 6.449 115.070 108.800 -0.299 0.000 2.596 947 G HA2 -0.298 3.676 3.960 0.023 0.000 0.304 947 G HA3 -0.298 3.676 3.960 0.023 0.000 0.304 947 G C -1.708 173.064 174.900 -0.214 0.000 1.189 947 G CA 0.256 45.167 45.100 -0.316 0.000 0.986 947 G HN 0.642 nan 8.290 nan 0.000 0.548 948 P HA 0.242 nan 4.420 nan 0.000 0.267 948 P C -0.097 176.992 177.300 -0.351 0.000 1.289 948 P CA 0.257 63.166 63.100 -0.319 0.000 0.866 948 P CB 0.219 31.701 31.700 -0.363 0.000 1.309 949 H N 0.586 119.577 119.070 -0.131 0.000 2.483 949 H HA 0.508 5.078 4.556 0.023 0.000 0.338 949 H C -0.196 174.824 175.328 -0.513 0.000 1.152 949 H CA 0.052 55.885 56.048 -0.358 0.000 1.264 949 H CB 1.791 31.173 29.762 -0.633 0.000 1.510 949 H HN 0.090 nan 8.280 nan 0.000 0.530 950 Q N 2.106 121.572 119.800 -0.557 0.000 2.284 950 Q HA 0.217 4.570 4.340 0.023 0.000 0.269 950 Q C -1.668 174.027 176.000 -0.508 0.000 1.026 950 Q CA -0.653 54.944 55.803 -0.344 0.000 0.831 950 Q CB 2.126 30.820 28.738 -0.074 0.000 1.322 950 Q HN 0.578 nan 8.270 nan 0.000 0.419 951 W N 3.882 125.140 121.300 -0.070 0.000 2.587 951 W HA 0.581 5.254 4.660 0.023 0.000 0.324 951 W C -0.159 176.459 176.519 0.165 0.000 1.040 951 W CA -0.676 56.605 57.345 -0.107 0.000 1.222 951 W CB 1.946 31.141 29.460 -0.442 0.000 1.381 951 W HN 0.502 nan 8.180 nan 0.000 0.483 952 R N 0.702 121.449 120.500 0.411 0.000 2.807 952 R HA 0.795 5.148 4.340 0.023 0.000 0.276 952 R C 0.194 176.766 176.300 0.453 0.000 0.979 952 R CA -0.494 55.849 56.100 0.406 0.000 0.928 952 R CB 2.406 32.849 30.300 0.238 0.000 1.191 952 R HN 0.751 nan 8.270 nan 0.000 0.471 953 G N 0.723 109.743 108.800 0.366 0.000 2.534 953 G HA2 -0.037 3.937 3.960 0.023 0.000 0.142 953 G HA3 -0.037 3.937 3.960 0.023 0.000 0.142 953 G C -1.788 173.191 174.900 0.132 0.000 1.178 953 G CA -0.412 44.873 45.100 0.308 0.000 1.037 953 G HN 0.495 nan 8.290 nan 0.000 0.474 954 D N 0.229 120.712 120.400 0.140 0.000 2.364 954 D HA 0.606 5.259 4.640 0.023 0.000 0.251 954 D C -0.643 175.646 176.300 -0.019 0.000 1.282 954 D CA -0.459 53.525 54.000 -0.027 0.000 0.927 954 D CB 0.240 41.065 40.800 0.041 0.000 1.267 954 D HN 0.560 nan 8.370 nan 0.000 0.531 955 F N -0.099 119.834 119.950 -0.028 0.000 2.790 955 F HA 0.731 5.272 4.527 0.023 0.000 0.337 955 F C -1.015 174.735 175.800 -0.082 0.000 1.163 955 F CA -0.992 56.931 58.000 -0.128 0.000 0.997 955 F CB 0.712 39.624 39.000 -0.148 0.000 1.437 955 F HN -0.142 nan 8.300 nan 0.000 0.512 956 Q N 1.331 121.247 119.800 0.193 0.000 2.399 956 Q HA 0.687 5.041 4.340 0.023 0.000 0.276 956 Q C -1.305 174.789 176.000 0.157 0.000 1.098 956 Q CA -0.539 55.287 55.803 0.038 0.000 0.827 956 Q CB 2.827 31.464 28.738 -0.169 0.000 1.386 956 Q HN 0.895 nan 8.270 nan 0.000 0.443 957 F N -1.344 118.480 119.950 -0.211 0.000 2.773 957 F HA 0.727 5.268 4.527 0.023 0.000 0.314 957 F C -1.971 173.603 175.800 -0.377 0.000 1.160 957 F CA -1.076 56.749 58.000 -0.291 0.000 0.920 957 F CB 1.350 40.192 39.000 -0.264 0.000 1.323 957 F HN 0.614 nan 8.300 nan 0.000 0.457 958 N N 1.387 119.850 118.700 -0.394 0.000 2.405 958 N HA 0.701 5.454 4.740 0.023 0.000 0.274 958 N C -2.231 173.189 175.510 -0.151 0.000 1.170 958 N CA -0.677 52.113 53.050 -0.433 0.000 0.848 958 N CB 2.499 40.787 38.487 -0.332 0.000 1.629 958 N HN 1.153 nan 8.380 nan 0.000 0.481 959 I N 0.516 120.997 120.570 -0.148 0.000 2.644 959 I HA 0.752 4.936 4.170 0.023 0.000 0.291 959 I C -1.389 174.635 176.117 -0.155 0.000 1.180 959 I CA -0.009 61.187 61.300 -0.174 0.000 1.040 959 I CB 1.469 39.297 38.000 -0.287 0.000 1.255 959 I HN 1.061 nan 8.210 nan 0.000 0.422 960 S N 6.068 121.689 115.700 -0.132 0.000 2.655 960 S HA 0.504 4.987 4.470 0.023 0.000 0.266 960 S C -0.235 174.243 174.600 -0.204 0.000 1.149 960 S CA -0.993 57.105 58.200 -0.170 0.000 0.818 960 S CB 1.558 64.689 63.200 -0.116 0.000 1.130 960 S HN 0.628 nan 8.310 nan 0.000 0.476 961 R N -0.230 119.973 120.500 -0.496 0.000 2.320 961 R HA 0.239 4.593 4.340 0.023 0.000 0.211 961 R C -0.942 175.081 176.300 -0.461 0.000 0.931 961 R CA 0.349 56.168 56.100 -0.469 0.000 1.071 961 R CB -0.974 28.962 30.300 -0.606 0.000 1.025 961 R HN 0.629 nan 8.270 nan 0.000 0.495 962 Y N 0.073 120.331 120.300 -0.071 0.000 2.331 962 Y HA 0.251 4.815 4.550 0.023 0.000 0.334 962 Y C 0.661 176.368 175.900 -0.322 0.000 0.960 962 Y CA -1.678 56.298 58.100 -0.207 0.000 1.130 962 Y CB 1.247 39.531 38.460 -0.294 0.000 1.164 962 Y HN -0.107 nan 8.280 nan 0.000 0.458 963 S N 1.958 117.334 115.700 -0.540 0.000 2.603 963 S HA 0.081 4.564 4.470 0.023 0.000 0.268 963 S C 0.926 175.208 174.600 -0.530 0.000 1.317 963 S CA -0.701 56.846 58.200 -1.088 0.000 1.012 963 S CB 1.128 63.282 63.200 -1.743 0.000 0.926 963 S HN 0.692 nan 8.310 nan 0.000 0.539 964 Q N 0.746 120.266 119.800 -0.468 0.000 2.234 964 Q HA -0.200 4.154 4.340 0.023 0.000 0.206 964 Q C 2.111 177.980 176.000 -0.218 0.000 0.980 964 Q CA 1.719 57.373 55.803 -0.249 0.000 0.869 964 Q CB -0.437 28.186 28.738 -0.191 0.000 0.912 964 Q HN 0.967 nan 8.270 nan 0.000 0.436 965 Q N 0.528 120.151 119.800 -0.295 0.000 2.079 965 Q HA -0.191 4.163 4.340 0.023 0.000 0.200 965 Q C 2.097 177.991 176.000 -0.175 0.000 0.974 965 Q CA 1.319 57.003 55.803 -0.199 0.000 0.840 965 Q CB 0.081 28.699 28.738 -0.201 0.000 0.898 965 Q HN 0.412 nan 8.270 nan 0.000 0.430 966 Q N 0.056 119.724 119.800 -0.220 0.000 2.079 966 Q HA -0.140 4.214 4.340 0.023 0.000 0.200 966 Q C 2.175 178.061 176.000 -0.190 0.000 0.974 966 Q CA 1.118 56.812 55.803 -0.182 0.000 0.840 966 Q CB -0.041 28.565 28.738 -0.219 0.000 0.898 966 Q HN 0.466 nan 8.270 nan 0.000 0.430 967 L N 0.312 121.415 121.223 -0.201 0.000 2.042 967 L HA -0.219 4.134 4.340 0.023 0.000 0.210 967 L C 2.749 179.501 176.870 -0.196 0.000 1.076 967 L CA 1.381 56.102 54.840 -0.199 0.000 0.749 967 L CB -0.464 41.514 42.059 -0.135 0.000 0.893 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.275 119.237 119.600 -0.147 0.000 2.279 968 M HA -0.199 4.295 4.480 0.023 0.000 0.264 968 M C 1.426 177.657 176.300 -0.114 0.000 1.062 968 M CA 1.756 56.986 55.300 -0.118 0.000 1.099 968 M CB 0.055 32.595 32.600 -0.100 0.000 1.394 968 M HN 0.246 nan 8.290 nan 0.000 0.426 969 E N -0.822 119.309 120.200 -0.114 0.000 2.481 969 E HA 0.089 4.453 4.350 0.023 0.000 0.198 969 E C -0.412 176.141 176.600 -0.078 0.000 1.027 969 E CA -0.005 56.348 56.400 -0.078 0.000 0.900 969 E CB 0.586 30.250 29.700 -0.060 0.000 0.993 969 E HN 0.298 nan 8.360 nan 0.000 0.482 970 T N 0.630 115.104 114.554 -0.134 0.000 2.770 970 T HA 0.095 4.458 4.350 0.023 0.000 0.283 970 T C 1.060 175.658 174.700 -0.171 0.000 0.988 970 T CA -0.495 61.528 62.100 -0.128 0.000 0.957 970 T CB 1.626 70.395 68.868 -0.167 0.000 0.930 970 T HN 0.037 nan 8.240 nan 0.000 0.443 971 S N 1.968 117.666 115.700 -0.002 0.000 2.461 971 S HA 0.013 4.496 4.470 0.023 0.000 0.228 971 S C 0.343 175.040 174.600 0.162 0.000 1.005 971 S CA 0.462 58.737 58.200 0.124 0.000 0.942 971 S CB -0.296 63.172 63.200 0.447 0.000 0.776 971 S HN 0.736 nan 8.310 nan 0.000 0.514 972 H N 0.608 119.701 119.070 0.038 0.000 2.600 972 H HA 0.527 5.097 4.556 0.023 0.000 0.357 972 H C 1.040 176.372 175.328 0.006 0.000 1.106 972 H CA -0.730 55.405 56.048 0.145 0.000 1.193 972 H CB 1.537 31.420 29.762 0.201 0.000 1.594 972 H HN 0.166 nan 8.280 nan 0.000 0.526 973 R N 1.919 122.543 120.500 0.207 0.000 2.105 973 R HA -0.176 4.177 4.340 0.023 0.000 0.239 973 R C 1.318 177.643 176.300 0.042 0.000 1.135 973 R CA 1.903 58.056 56.100 0.088 0.000 0.967 973 R CB -0.503 29.889 30.300 0.153 0.000 0.861 973 R HN 0.788 nan 8.270 nan 0.000 0.442 974 H N 1.075 120.162 119.070 0.029 0.000 2.545 974 H HA 0.011 4.580 4.556 0.023 0.000 0.282 974 H C 1.429 176.683 175.328 -0.124 0.000 1.020 974 H CA 0.881 56.906 56.048 -0.039 0.000 1.243 974 H CB -0.111 29.628 29.762 -0.039 0.000 1.377 974 H HN 0.335 nan 8.280 nan 0.000 0.581 975 L N 0.811 121.635 121.223 -0.665 0.000 2.592 975 L HA 0.220 4.574 4.340 0.023 0.000 0.227 975 L C 0.634 177.359 176.870 -0.242 0.000 1.127 975 L CA -0.153 54.362 54.840 -0.542 0.000 0.884 975 L CB 0.185 41.908 42.059 -0.560 0.000 1.065 975 L HN 0.062 nan 8.230 nan 0.000 0.457 976 L N 1.011 122.093 121.223 -0.235 0.000 2.397 976 L HA 0.145 4.499 4.340 0.023 0.000 0.271 976 L C 0.124 176.950 176.870 -0.073 0.000 1.148 976 L CA -0.134 54.545 54.840 -0.268 0.000 0.825 976 L CB 0.423 42.104 42.059 -0.630 0.000 1.117 976 L HN 0.186 nan 8.230 nan 0.000 0.456 977 H N 1.789 120.846 119.070 -0.021 0.000 2.600 977 H HA 0.575 5.145 4.556 0.023 0.000 0.357 977 H C -0.787 174.666 175.328 0.209 0.000 1.106 977 H CA -1.273 54.820 56.048 0.075 0.000 1.193 977 H CB 1.337 31.107 29.762 0.013 0.000 1.594 977 H HN 0.653 nan 8.280 nan 0.000 0.526 978 A N 3.616 126.539 122.820 0.172 0.000 2.524 978 A HA 0.102 4.435 4.320 0.023 0.000 0.250 978 A C 0.358 177.966 177.584 0.040 0.000 1.078 978 A CA -0.211 51.817 52.037 -0.014 0.000 0.761 978 A CB -0.190 18.772 19.000 -0.064 0.000 1.012 978 A HN 0.819 nan 8.150 nan 0.000 0.500 979 E N 1.244 121.445 120.200 0.002 0.000 2.318 979 E HA 0.178 4.541 4.350 0.023 0.000 0.265 979 E C 0.087 176.727 176.600 0.067 0.000 1.069 979 E CA -0.515 55.955 56.400 0.117 0.000 0.893 979 E CB 0.882 30.732 29.700 0.251 0.000 1.076 979 E HN 0.806 nan 8.360 nan 0.000 0.414 980 E N 1.052 121.293 120.200 0.068 0.000 2.452 980 E HA 0.134 4.498 4.350 0.023 0.000 0.261 980 E C 0.413 176.975 176.600 -0.063 0.000 0.987 980 E CA 0.651 57.054 56.400 0.006 0.000 0.926 980 E CB 0.219 29.923 29.700 0.006 0.000 0.934 980 E HN 0.676 nan 8.360 nan 0.000 0.452 981 G N 3.081 111.842 108.800 -0.066 0.000 2.593 981 G HA2 -0.220 3.754 3.960 0.023 0.000 0.237 981 G HA3 -0.220 3.754 3.960 0.023 0.000 0.237 981 G C -0.604 174.236 174.900 -0.100 0.000 1.312 981 G CA -0.164 44.877 45.100 -0.098 0.000 0.896 981 G HN 0.701 nan 8.290 nan 0.000 0.574 982 T N 0.131 114.602 114.554 -0.139 0.000 2.928 982 T HA 0.508 4.871 4.350 0.023 0.000 0.296 982 T C -0.898 173.657 174.700 -0.243 0.000 1.000 982 T CA -0.175 61.859 62.100 -0.109 0.000 0.989 982 T CB 1.427 70.330 68.868 0.059 0.000 1.005 982 T HN 0.574 nan 8.240 nan 0.000 0.442 983 W N 3.192 124.406 121.300 -0.145 0.000 2.322 983 W HA 0.609 5.283 4.660 0.023 0.000 0.307 983 W C -0.303 176.087 176.519 -0.215 0.000 1.220 983 W CA -0.643 56.610 57.345 -0.152 0.000 1.210 983 W CB 0.742 30.122 29.460 -0.134 0.000 1.223 983 W HN 0.358 nan 8.180 nan 0.000 0.511 984 L N 5.633 126.839 121.223 -0.028 0.000 2.333 984 L HA 0.518 4.872 4.340 0.023 0.000 0.280 984 L C -1.000 175.759 176.870 -0.186 0.000 1.004 984 L CA -0.486 54.220 54.840 -0.223 0.000 0.820 984 L CB 0.943 42.725 42.059 -0.462 0.000 1.247 984 L HN 0.315 nan 8.230 nan 0.000 0.416 985 N N 6.721 125.297 118.700 -0.208 0.000 2.483 985 N HA 0.480 5.234 4.740 0.023 0.000 0.267 985 N C -1.251 174.096 175.510 -0.271 0.000 0.998 985 N CA -0.178 52.749 53.050 -0.205 0.000 0.918 985 N CB 2.189 40.590 38.487 -0.144 0.000 1.215 985 N HN 0.555 nan 8.380 nan 0.000 0.500 986 I N 1.816 122.168 120.570 -0.363 0.000 2.382 986 I HA 0.243 4.427 4.170 0.023 0.000 0.286 986 I C -0.649 175.238 176.117 -0.384 0.000 1.002 986 I CA -0.657 60.379 61.300 -0.440 0.000 1.135 986 I CB 1.496 39.034 38.000 -0.769 0.000 1.288 986 I HN 0.162 nan 8.210 nan 0.000 0.448 987 D N 4.764 124.981 120.400 -0.305 0.000 2.256 987 D HA 0.259 4.913 4.640 0.023 0.000 0.246 987 D C 0.875 176.860 176.300 -0.526 0.000 1.042 987 D CA -0.323 53.443 54.000 -0.390 0.000 0.841 987 D CB 2.473 43.159 40.800 -0.191 0.000 1.223 987 D HN 0.686 nan 8.370 nan 0.000 0.470 988 G N 0.999 109.210 108.800 -0.981 0.000 2.408 988 G HA2 0.003 3.976 3.960 0.023 0.000 0.215 988 G HA3 0.003 3.976 3.960 0.023 0.000 0.215 988 G C 0.094 174.316 174.900 -1.130 0.000 1.156 988 G CA 0.560 44.990 45.100 -1.116 0.000 0.793 988 G HN 0.364 nan 8.290 nan 0.000 0.535 989 F N -2.153 117.601 119.950 -0.326 0.000 2.613 989 F HA 0.630 5.170 4.527 0.023 0.000 0.310 989 F C -0.561 175.139 175.800 -0.167 0.000 1.085 989 F CA -1.222 56.659 58.000 -0.198 0.000 0.945 989 F CB 2.121 40.938 39.000 -0.305 0.000 1.298 989 F HN 0.016 nan 8.300 nan 0.000 0.455 990 H N 1.522 120.597 119.070 0.008 0.000 2.856 990 H HA 0.502 5.071 4.556 0.023 0.000 0.355 990 H C -0.809 174.543 175.328 0.040 0.000 1.079 990 H CA -0.819 55.211 56.048 -0.031 0.000 1.240 990 H CB 1.817 31.542 29.762 -0.062 0.000 1.701 990 H HN 0.777 nan 8.280 nan 0.000 0.527 991 M N 3.270 122.827 119.600 -0.072 0.000 2.245 991 M HA 0.282 4.775 4.480 0.023 0.000 0.330 991 M C 0.497 176.892 176.300 0.159 0.000 1.098 991 M CA 0.359 55.675 55.300 0.027 0.000 1.172 991 M CB 0.360 32.893 32.600 -0.112 0.000 1.467 991 M HN 0.833 nan 8.290 nan 0.000 0.454 992 G N 2.553 111.424 108.800 0.119 0.000 2.636 992 G HA2 0.305 4.278 3.960 0.023 0.000 0.246 992 G HA3 0.305 4.278 3.960 0.023 0.000 0.246 992 G C 0.595 175.474 174.900 -0.036 0.000 1.216 992 G CA -0.448 44.663 45.100 0.019 0.000 0.854 992 G HN 0.970 nan 8.290 nan 0.000 0.572 993 I N -1.307 119.202 120.570 -0.102 0.000 3.427 993 I HA 0.389 4.573 4.170 0.023 0.000 0.288 993 I C 1.246 177.299 176.117 -0.107 0.000 1.249 993 I CA 0.408 61.614 61.300 -0.156 0.000 1.421 993 I CB -0.633 37.180 38.000 -0.312 0.000 1.086 993 I HN 0.907 nan 8.210 nan 0.000 0.448 994 G N 1.498 110.254 108.800 -0.072 0.000 2.645 994 G HA2 0.013 3.987 3.960 0.023 0.000 0.246 994 G HA3 0.013 3.987 3.960 0.023 0.000 0.246 994 G C 0.536 175.441 174.900 0.009 0.000 1.322 994 G CA 0.163 45.259 45.100 -0.007 0.000 0.898 994 G HN 1.293 nan 8.290 nan 0.000 0.573 995 G N -2.591 106.233 108.800 0.040 0.000 3.254 995 G HA2 0.024 3.997 3.960 0.023 0.000 0.219 995 G HA3 0.024 3.997 3.960 0.023 0.000 0.219 995 G C 0.699 175.673 174.900 0.122 0.000 0.964 995 G CA 0.958 46.097 45.100 0.066 0.000 0.823 995 G HN 0.936 nan 8.290 nan 0.000 0.579 996 D N 1.326 121.821 120.400 0.158 0.000 2.220 996 D HA 0.052 4.705 4.640 0.023 0.000 0.198 996 D C 0.899 177.277 176.300 0.131 0.000 1.001 996 D CA 2.202 56.359 54.000 0.261 0.000 0.875 996 D CB 0.095 41.042 40.800 0.246 0.000 0.921 996 D HN 0.819 nan 8.370 nan 0.000 0.454 997 D N -3.779 116.479 120.400 -0.237 0.000 2.694 997 D HA 0.237 4.891 4.640 0.023 0.000 0.260 997 D C -0.883 174.902 176.300 -0.858 0.000 1.250 997 D CA -0.707 52.696 54.000 -0.995 0.000 0.763 997 D CB 0.719 40.529 40.800 -1.650 0.000 1.311 997 D HN -0.294 nan 8.370 nan 0.000 0.420 998 S N -0.086 114.975 115.700 -1.066 0.000 2.588 998 S HA 0.243 4.727 4.470 0.023 0.000 0.245 998 S C -0.511 174.059 174.600 -0.049 0.000 1.021 998 S CA -0.648 57.387 58.200 -0.276 0.000 1.006 998 S CB -0.538 62.738 63.200 0.126 0.000 0.830 998 S HN 0.590 nan 8.310 nan 0.000 0.468 999 W N 1.302 122.514 121.300 -0.146 0.000 2.190 999 W HA 0.604 5.277 4.660 0.022 0.000 0.337 999 W C -0.072 176.378 176.519 -0.115 0.000 0.911 999 W CA -0.673 56.570 57.345 -0.171 0.000 1.925 999 W CB -0.573 28.730 29.460 -0.262 0.000 1.134 999 W HN 0.162 nan 8.180 nan 0.000 0.536 1000 S N -1.472 114.138 115.700 -0.150 0.000 2.565 1000 S HA 0.517 5.000 4.470 0.023 0.000 0.274 1000 S C -3.212 171.339 174.600 -0.081 0.000 1.144 1000 S CA -1.458 56.688 58.200 -0.091 0.000 0.849 1000 S CB 1.377 64.544 63.200 -0.056 0.000 1.103 1000 S HN -0.195 nan 8.310 nan 0.000 0.455 1001 P HA 0.187 nan 4.420 nan 0.000 0.260 1001 P C 0.438 177.805 177.300 0.112 0.000 1.185 1001 P CA 0.022 63.166 63.100 0.074 0.000 0.763 1001 P CB 0.539 32.180 31.700 -0.099 0.000 0.776 1002 S N 0.692 116.485 115.700 0.156 0.000 2.666 1002 S HA 0.133 4.616 4.470 0.023 0.000 0.239 1002 S C 0.300 174.985 174.600 0.141 0.000 1.031 1002 S CA -0.322 57.938 58.200 0.100 0.000 1.015 1002 S CB -0.238 62.972 63.200 0.017 0.000 0.981 1002 S HN 0.128 nan 8.310 nan 0.000 0.547 1003 V N 2.989 123.022 119.914 0.197 0.000 2.439 1003 V HA 0.322 4.456 4.120 0.023 0.000 0.271 1003 V C 0.821 177.056 176.094 0.234 0.000 1.040 1003 V CA -0.244 62.151 62.300 0.160 0.000 1.002 1003 V CB 0.800 32.639 31.823 0.028 0.000 1.000 1003 V HN 0.503 nan 8.190 nan 0.000 0.477 1004 S N 4.124 119.979 115.700 0.258 0.000 2.568 1004 S HA 0.274 4.757 4.470 0.023 0.000 0.282 1004 S C 1.572 176.305 174.600 0.222 0.000 1.338 1004 S CA 0.087 58.432 58.200 0.243 0.000 1.045 1004 S CB 1.067 64.439 63.200 0.286 0.000 0.873 1004 S HN 0.995 nan 8.310 nan 0.000 0.516 1005 A N 3.827 126.735 122.820 0.145 0.000 1.903 1005 A HA -0.186 4.147 4.320 0.023 0.000 0.219 1005 A C 2.041 179.642 177.584 0.030 0.000 1.191 1005 A CA 2.017 54.120 52.037 0.111 0.000 0.638 1005 A CB -0.820 18.225 19.000 0.075 0.000 0.823 1005 A HN 0.980 nan 8.150 nan 0.000 0.451 1006 E N -1.002 119.148 120.200 -0.084 0.000 2.331 1006 E HA -0.174 4.189 4.350 0.023 0.000 0.199 1006 E C 0.741 177.104 176.600 -0.394 0.000 1.008 1006 E CA 1.018 57.251 56.400 -0.278 0.000 0.843 1006 E CB -0.433 28.996 29.700 -0.451 0.000 0.761 1006 E HN 0.625 nan 8.360 nan 0.000 0.507 1007 F N 1.157 121.149 119.950 0.070 0.000 2.639 1007 F HA 0.306 4.847 4.527 0.022 0.000 0.302 1007 F C 0.713 176.539 175.800 0.043 0.000 1.097 1007 F CA -0.302 57.739 58.000 0.069 0.000 1.294 1007 F CB 0.395 39.437 39.000 0.069 0.000 1.027 1007 F HN -0.164 nan 8.300 nan 0.000 0.550 1008 Q N 0.896 120.786 119.800 0.151 0.000 2.241 1008 Q HA 0.409 4.763 4.340 0.023 0.000 0.254 1008 Q C -0.136 175.881 176.000 0.028 0.000 0.917 1008 Q CA -0.500 55.363 55.803 0.101 0.000 0.919 1008 Q CB 1.876 30.733 28.738 0.198 0.000 1.237 1008 Q HN 0.209 nan 8.270 nan 0.000 0.434 1009 L N 2.656 123.897 121.223 0.030 0.000 2.376 1009 L HA 0.053 4.407 4.340 0.023 0.000 0.250 1009 L C 0.785 177.661 176.870 0.009 0.000 1.335 1009 L CA 0.026 54.886 54.840 0.034 0.000 1.214 1009 L CB -0.569 41.413 42.059 -0.128 0.000 1.395 1009 L HN 0.683 nan 8.230 nan 0.000 0.424 1010 S N -1.186 114.401 115.700 -0.188 0.000 2.539 1010 S HA 0.132 4.615 4.470 0.023 0.000 0.221 1010 S C 1.797 176.324 174.600 -0.122 0.000 0.987 1010 S CA 0.176 58.095 58.200 -0.469 0.000 0.929 1010 S CB 0.662 63.427 63.200 -0.726 0.000 0.832 1010 S HN 0.519 nan 8.310 nan 0.000 0.492 1011 A N 1.776 124.542 122.820 -0.090 0.000 2.024 1011 A HA 0.359 4.692 4.320 0.023 0.000 0.220 1011 A C 2.186 179.585 177.584 -0.309 0.000 1.164 1011 A CA 1.656 53.491 52.037 -0.337 0.000 0.643 1011 A CB -1.374 17.147 19.000 -0.799 0.000 0.806 1011 A HN 1.516 nan 8.150 nan 0.000 0.451 1012 G N -1.660 107.040 108.800 -0.165 0.000 2.579 1012 G HA2 -0.283 3.691 3.960 0.023 0.000 0.222 1012 G HA3 -0.283 3.691 3.960 0.023 0.000 0.222 1012 G C 0.461 175.319 174.900 -0.071 0.000 1.201 1012 G CA 0.377 45.456 45.100 -0.036 0.000 0.710 1012 G HN 0.698 nan 8.290 nan 0.000 0.516 1013 R N -0.229 120.097 120.500 -0.289 0.000 2.476 1013 R HA 0.656 5.010 4.340 0.023 0.000 0.305 1013 R C -1.521 174.533 176.300 -0.410 0.000 0.965 1013 R CA -0.548 55.445 56.100 -0.178 0.000 0.867 1013 R CB 1.421 31.668 30.300 -0.089 0.000 1.176 1013 R HN 0.250 nan 8.270 nan 0.000 0.447 1014 Y N 0.386 120.688 120.300 0.003 0.000 2.499 1014 Y HA 0.375 4.939 4.550 0.023 0.000 0.347 1014 Y C -0.282 175.755 175.900 0.228 0.000 0.987 1014 Y CA -0.822 57.258 58.100 -0.033 0.000 1.044 1014 Y CB 2.119 40.435 38.460 -0.239 0.000 1.245 1014 Y HN 0.566 nan 8.280 nan 0.000 0.461 1015 H N 2.302 121.644 119.070 0.455 0.000 2.759 1015 H HA 0.586 5.155 4.556 0.023 0.000 0.354 1015 H C -1.877 173.796 175.328 0.575 0.000 1.074 1015 H CA -0.886 55.392 56.048 0.382 0.000 1.226 1015 H CB 1.158 31.051 29.762 0.218 0.000 1.648 1015 H HN 0.554 nan 8.280 nan 0.000 0.529 1016 Y N 1.941 122.043 120.300 -0.330 0.000 2.581 1016 Y HA 0.420 4.984 4.550 0.023 0.000 0.337 1016 Y C -1.984 173.725 175.900 -0.317 0.000 1.108 1016 Y CA -1.106 56.870 58.100 -0.207 0.000 1.033 1016 Y CB 1.356 39.788 38.460 -0.047 0.000 1.318 1016 Y HN 0.746 nan 8.280 nan 0.000 0.459 1017 Q N 3.508 123.313 119.800 0.009 0.000 2.347 1017 Q HA 0.797 5.151 4.340 0.023 0.000 0.271 1017 Q C -2.058 174.044 176.000 0.171 0.000 1.064 1017 Q CA -1.080 54.728 55.803 0.007 0.000 0.800 1017 Q CB 3.216 31.980 28.738 0.044 0.000 1.304 1017 Q HN 0.861 nan 8.270 nan 0.000 0.438 1018 L N 1.780 123.093 121.223 0.150 0.000 2.410 1018 L HA 0.623 4.976 4.340 0.023 0.000 0.270 1018 L C -0.825 176.178 176.870 0.221 0.000 0.983 1018 L CA -1.273 53.691 54.840 0.206 0.000 0.822 1018 L CB 2.376 44.524 42.059 0.148 0.000 1.285 1018 L HN 0.469 nan 8.230 nan 0.000 0.409 1019 V N 1.661 121.724 119.914 0.248 0.000 2.394 1019 V HA 0.357 4.491 4.120 0.023 0.000 0.282 1019 V C -0.846 175.429 176.094 0.303 0.000 1.031 1019 V CA -0.389 62.059 62.300 0.246 0.000 0.881 1019 V CB 1.740 33.680 31.823 0.194 0.000 0.982 1019 V HN 0.607 nan 8.190 nan 0.000 0.451 1020 W N 6.974 128.347 121.300 0.121 0.000 2.529 1020 W HA 0.713 5.387 4.660 0.023 0.000 0.321 1020 W C -0.271 176.267 176.519 0.031 0.000 1.047 1020 W CA -1.180 56.174 57.345 0.016 0.000 1.216 1020 W CB 1.465 30.997 29.460 0.120 0.000 1.357 1020 W HN 0.874 nan 8.180 nan 0.000 0.489 1021 C N 3.928 123.509 119.300 0.468 0.000 3.332 1021 C HA 0.677 5.151 4.460 0.023 0.000 0.329 1021 C C -0.491 174.625 174.990 0.209 0.000 1.434 1021 C CA -0.937 58.258 59.018 0.294 0.000 1.314 1021 C CB 1.286 29.135 27.740 0.182 0.000 1.664 1021 C HN 0.712 nan 8.230 nan 0.000 0.457 1022 Q N 1.835 121.712 119.800 0.128 0.000 2.293 1022 Q HA 0.591 4.945 4.340 0.023 0.000 0.251 1022 Q C -0.531 175.470 176.000 0.001 0.000 0.930 1022 Q CA -0.198 55.623 55.803 0.032 0.000 0.893 1022 Q CB 1.349 30.090 28.738 0.005 0.000 1.215 1022 Q HN 0.788 nan 8.270 nan 0.000 0.425 1023 K N 0.000 120.371 120.400 -0.048 0.000 2.780 1023 K HA 0.000 4.334 4.320 0.023 0.000 0.191 1023 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543