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 3czj_1_D 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 VIIWSLGTES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM 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 0.000 176.060 176.300 -0.401 0.000 0.893 13 R CA 0.000 55.948 56.100 -0.253 0.000 0.921 13 R CB 0.000 30.156 30.300 -0.240 0.000 0.687 14 R N 1.793 121.962 120.500 -0.553 0.000 3.785 14 R HA 0.173 4.521 4.340 0.013 0.000 0.255 14 R C 0.154 175.902 176.300 -0.920 0.000 1.485 14 R CA -0.491 54.914 56.100 -1.159 0.000 1.555 14 R CB 0.403 30.128 30.300 -0.957 0.000 1.362 14 R HN 0.422 nan 8.270 nan 0.000 0.702 15 D N 1.109 121.136 120.400 -0.623 0.000 2.228 15 D HA -0.210 4.438 4.640 0.013 0.000 0.203 15 D C 1.258 177.439 176.300 -0.199 0.000 0.988 15 D CA 1.275 55.014 54.000 -0.435 0.000 0.864 15 D CB 0.102 40.478 40.800 -0.705 0.000 0.928 15 D HN 0.644 nan 8.370 nan 0.000 0.469 16 W N 1.226 122.523 121.300 -0.006 0.000 3.204 16 W HA 0.216 4.883 4.660 0.013 0.000 0.249 16 W C 0.460 177.080 176.519 0.168 0.000 1.322 16 W CA -0.271 57.191 57.345 0.193 0.000 1.593 16 W CB -0.295 29.325 29.460 0.267 0.000 1.122 16 W HN -0.178 nan 8.180 nan 0.000 0.710 17 E N 0.939 121.072 120.200 -0.111 0.000 3.105 17 E HA 0.037 4.395 4.350 0.013 0.000 0.198 17 E C -0.778 175.707 176.600 -0.191 0.000 0.976 17 E CA -0.209 56.148 56.400 -0.071 0.000 1.219 17 E CB -0.144 29.521 29.700 -0.058 0.000 1.081 17 E HN 0.028 nan 8.360 nan 0.000 0.464 18 N N 1.228 119.833 118.700 -0.159 0.000 2.558 18 N HA 0.136 4.884 4.740 0.013 0.000 0.285 18 N C -2.253 173.114 175.510 -0.238 0.000 1.112 18 N CA -1.960 50.953 53.050 -0.228 0.000 0.857 18 N CB 1.583 39.947 38.487 -0.205 0.000 1.376 18 N HN -0.176 nan 8.380 nan 0.000 0.526 19 P HA 0.047 nan 4.420 nan 0.000 0.234 19 P C 0.985 178.041 177.300 -0.405 0.000 1.167 19 P CA 0.562 63.307 63.100 -0.591 0.000 0.763 19 P CB 0.198 31.014 31.700 -1.474 0.000 0.835 20 G N -0.164 108.447 108.800 -0.315 0.000 2.623 20 G HA2 0.045 4.013 3.960 0.013 0.000 0.214 20 G HA3 0.045 4.013 3.960 0.013 0.000 0.214 20 G C 0.423 175.248 174.900 -0.125 0.000 1.138 20 G CA 0.169 45.140 45.100 -0.214 0.000 0.794 20 G HN 0.210 nan 8.290 nan 0.000 0.535 21 V N 1.817 121.675 119.914 -0.093 0.000 2.304 21 V HA 0.282 4.410 4.120 0.013 0.000 0.278 21 V C 0.890 177.044 176.094 0.099 0.000 1.018 21 V CA 0.148 62.447 62.300 -0.003 0.000 0.814 21 V CB 1.078 32.885 31.823 -0.027 0.000 1.021 21 V HN 0.328 nan 8.190 nan 0.000 0.440 22 T N 0.551 115.154 114.554 0.081 0.000 3.054 22 T HA 0.365 4.723 4.350 0.013 0.000 0.255 22 T C 0.282 175.024 174.700 0.069 0.000 1.035 22 T CA 0.116 62.267 62.100 0.085 0.000 0.941 22 T CB 0.287 69.161 68.868 0.010 0.000 1.026 22 T HN 0.690 nan 8.240 nan 0.000 0.533 23 Q N 0.217 120.105 119.800 0.147 0.000 2.776 23 Q HA 0.645 4.993 4.340 0.013 0.000 0.289 23 Q C -2.335 173.797 176.000 0.221 0.000 0.912 23 Q CA -1.021 54.860 55.803 0.130 0.000 0.789 23 Q CB 0.663 29.398 28.738 -0.004 0.000 1.498 23 Q HN 0.221 nan 8.270 nan 0.000 0.408 24 L N 1.813 123.188 121.223 0.253 0.000 2.528 24 L HA 0.584 4.932 4.340 0.013 0.000 0.267 24 L C -0.670 176.316 176.870 0.195 0.000 0.961 24 L CA -0.787 54.213 54.840 0.266 0.000 0.866 24 L CB 1.833 44.178 42.059 0.477 0.000 1.248 24 L HN 0.846 nan 8.230 nan 0.000 0.404 25 N N 0.920 119.705 118.700 0.142 0.000 2.800 25 N HA -0.204 4.544 4.740 0.013 0.000 0.250 25 N C 0.227 175.803 175.510 0.109 0.000 1.078 25 N CA 0.823 53.943 53.050 0.118 0.000 0.804 25 N CB -0.739 37.782 38.487 0.056 0.000 1.135 25 N HN 0.669 nan 8.380 nan 0.000 0.565 26 R N 0.948 121.428 120.500 -0.034 0.000 2.490 26 R HA 0.393 4.741 4.340 0.013 0.000 0.280 26 R C 0.524 176.661 176.300 -0.271 0.000 1.077 26 R CA -0.327 55.507 56.100 -0.444 0.000 1.065 26 R CB 0.545 30.582 30.300 -0.439 0.000 1.003 26 R HN 0.127 nan 8.270 nan 0.000 0.470 27 L N 2.850 123.883 121.223 -0.317 0.000 2.466 27 L HA 0.331 4.679 4.340 0.013 0.000 0.257 27 L C 0.623 177.432 176.870 -0.102 0.000 1.189 27 L CA -0.657 54.102 54.840 -0.134 0.000 0.813 27 L CB 0.885 42.899 42.059 -0.075 0.000 1.118 27 L HN 0.773 nan 8.230 nan 0.000 0.471 28 A N 1.282 124.087 122.820 -0.024 0.000 2.483 28 A HA 0.497 4.825 4.320 0.013 0.000 0.238 28 A C 0.285 177.867 177.584 -0.002 0.000 1.070 28 A CA -0.040 51.991 52.037 -0.010 0.000 0.770 28 A CB 0.208 19.226 19.000 0.030 0.000 1.008 28 A HN 0.789 nan 8.150 nan 0.000 0.497 29 A N 1.458 124.225 122.820 -0.087 0.000 2.351 29 A HA 0.669 4.997 4.320 0.013 0.000 0.257 29 A C 0.114 177.583 177.584 -0.192 0.000 1.087 29 A CA 0.460 52.361 52.037 -0.226 0.000 0.798 29 A CB -0.084 18.792 19.000 -0.207 0.000 1.033 29 A HN 1.818 nan 8.150 nan 0.000 0.488 30 H N -2.039 116.873 119.070 -0.263 0.000 2.932 30 H HA 0.653 5.217 4.556 0.013 0.000 0.307 30 H C -3.415 171.595 175.328 -0.531 0.000 1.391 30 H CA -1.902 53.917 56.048 -0.381 0.000 1.130 30 H CB -0.003 29.452 29.762 -0.510 0.000 1.836 30 H HN 0.367 nan 8.280 nan 0.000 0.522 31 P HA 0.209 nan 4.420 nan 0.000 0.273 31 P C -2.585 174.462 177.300 -0.421 0.000 1.250 31 P CA -1.309 61.517 63.100 -0.456 0.000 0.793 31 P CB -0.134 31.194 31.700 -0.619 0.000 1.011 32 P HA 0.018 nan 4.420 nan 0.000 0.261 32 P C -0.904 176.540 177.300 0.239 0.000 1.183 32 P CA 1.058 64.159 63.100 0.000 0.000 0.761 32 P CB -0.101 31.659 31.700 0.100 0.000 0.785 33 F N 1.936 121.975 119.950 0.148 0.000 2.538 33 F HA 0.629 5.164 4.527 0.013 0.000 0.325 33 F C 0.980 176.719 175.800 -0.101 0.000 1.066 33 F CA -1.379 56.657 58.000 0.061 0.000 0.946 33 F CB 1.361 40.351 39.000 -0.017 0.000 1.199 33 F HN 0.300 nan 8.300 nan 0.000 0.473 34 A N 0.234 123.004 122.820 -0.083 0.000 2.530 34 A HA 0.320 4.648 4.320 0.013 0.000 0.214 34 A C 0.632 177.923 177.584 -0.487 0.000 1.352 34 A CA 0.619 52.359 52.037 -0.496 0.000 1.035 34 A CB -0.351 17.869 19.000 -1.300 0.000 1.296 34 A HN 0.915 nan 8.150 nan 0.000 0.563 35 S N 0.442 115.972 115.700 -0.283 0.000 3.484 35 S HA -0.147 4.331 4.470 0.013 0.000 0.384 35 S C -0.046 174.495 174.600 -0.098 0.000 0.932 35 S CA 0.434 58.525 58.200 -0.181 0.000 1.293 35 S CB -1.589 61.493 63.200 -0.196 0.000 0.919 35 S HN 0.449 nan 8.310 nan 0.000 0.540 36 W N 2.024 123.317 121.300 -0.013 0.000 2.150 36 W HA 0.346 5.014 4.660 0.013 0.000 0.341 36 W C 1.317 177.831 176.519 -0.008 0.000 1.276 36 W CA -0.656 56.690 57.345 0.002 0.000 1.238 36 W CB 0.357 29.815 29.460 -0.004 0.000 1.128 36 W HN 0.355 nan 8.180 nan 0.000 0.581 37 R N 1.804 122.459 120.500 0.258 0.000 2.629 37 R HA 0.112 4.460 4.340 0.013 0.000 0.386 37 R C -0.275 176.094 176.300 0.115 0.000 1.071 37 R CA -0.207 55.980 56.100 0.145 0.000 1.104 37 R CB -0.284 30.084 30.300 0.113 0.000 1.370 37 R HN 0.359 nan 8.270 nan 0.000 0.574 38 N N -0.074 118.700 118.700 0.124 0.000 2.542 38 N HA 0.095 4.843 4.740 0.013 0.000 0.288 38 N C -0.162 175.307 175.510 -0.068 0.000 1.115 38 N CA 0.029 53.096 53.050 0.029 0.000 0.924 38 N CB 1.709 40.216 38.487 0.033 0.000 1.526 38 N HN -0.238 nan 8.380 nan 0.000 0.515 39 S N 2.198 117.840 115.700 -0.095 0.000 2.419 39 S HA -0.156 4.322 4.470 0.013 0.000 0.233 39 S C 1.394 175.810 174.600 -0.307 0.000 1.016 39 S CA 1.107 59.202 58.200 -0.175 0.000 0.974 39 S CB 0.075 63.207 63.200 -0.113 0.000 0.786 39 S HN 0.724 nan 8.310 nan 0.000 0.492 40 E N 1.368 121.407 120.200 -0.267 0.000 2.152 40 E HA -0.090 4.268 4.350 0.013 0.000 0.192 40 E C 1.837 178.214 176.600 -0.373 0.000 0.983 40 E CA 0.890 57.097 56.400 -0.322 0.000 0.818 40 E CB -0.036 29.535 29.700 -0.214 0.000 0.758 40 E HN 0.266 nan 8.360 nan 0.000 0.467 41 E N 0.012 119.991 120.200 -0.368 0.000 2.152 41 E HA -0.065 4.293 4.350 0.013 0.000 0.192 41 E C 1.923 177.888 176.600 -1.058 0.000 0.983 41 E CA 0.978 57.112 56.400 -0.443 0.000 0.818 41 E CB -0.336 29.263 29.700 -0.168 0.000 0.758 41 E HN 0.361 nan 8.360 nan 0.000 0.467 42 A N 1.629 123.641 122.820 -1.347 0.000 1.873 42 A HA -0.171 4.156 4.320 0.013 0.000 0.215 42 A C 2.250 179.230 177.584 -1.006 0.000 1.186 42 A CA 1.572 52.514 52.037 -1.824 0.000 0.616 42 A CB -0.464 18.004 19.000 -0.887 0.000 0.823 42 A HN 0.131 nan 8.150 nan 0.000 0.442 43 R N -0.162 119.929 120.500 -0.682 0.000 2.083 43 R HA -0.146 4.202 4.340 0.013 0.000 0.237 43 R C 2.131 178.182 176.300 -0.416 0.000 1.137 43 R CA 2.230 57.995 56.100 -0.560 0.000 0.951 43 R CB -0.564 29.275 30.300 -0.768 0.000 0.851 43 R HN 0.622 nan 8.270 nan 0.000 0.434 44 T N -2.490 111.830 114.554 -0.389 0.000 3.148 44 T HA -0.018 4.340 4.350 0.013 0.000 0.253 44 T C 0.382 174.993 174.700 -0.148 0.000 1.134 44 T CA 0.732 62.694 62.100 -0.230 0.000 1.051 44 T CB -0.111 68.647 68.868 -0.183 0.000 0.959 44 T HN 0.445 nan 8.240 nan 0.000 0.525 45 D N 0.610 120.871 120.400 -0.230 0.000 2.800 45 D HA -0.162 4.486 4.640 0.013 0.000 0.232 45 D C 0.105 176.529 176.300 0.208 0.000 1.137 45 D CA 0.430 54.440 54.000 0.017 0.000 0.718 45 D CB -1.078 39.784 40.800 0.103 0.000 1.084 45 D HN 0.587 nan 8.370 nan 0.000 0.432 46 R N -0.162 120.431 120.500 0.156 0.000 2.580 46 R HA 0.516 4.864 4.340 0.013 0.000 0.267 46 R C -2.067 174.492 176.300 0.431 0.000 1.125 46 R CA -1.425 54.809 56.100 0.222 0.000 1.188 46 R CB 0.158 30.528 30.300 0.117 0.000 1.155 46 R HN 0.061 nan 8.270 nan 0.000 0.586 47 P HA -0.060 nan 4.420 nan 0.000 0.268 47 P C -0.905 176.561 177.300 0.277 0.000 1.208 47 P CA 0.350 63.590 63.100 0.233 0.000 0.777 47 P CB 0.644 32.432 31.700 0.146 0.000 0.875 48 S N 1.127 116.859 115.700 0.052 0.000 2.478 48 S HA 0.139 4.617 4.470 0.013 0.000 0.312 48 S C 0.855 175.466 174.600 0.019 0.000 1.094 48 S CA -0.560 57.591 58.200 -0.083 0.000 1.081 48 S CB 0.540 63.340 63.200 -0.666 0.000 1.007 48 S HN 0.213 nan 8.310 nan 0.000 0.475 49 Q N 2.806 122.666 119.800 0.100 0.000 2.291 49 Q HA -0.074 4.274 4.340 0.013 0.000 0.206 49 Q C 1.004 177.159 176.000 0.259 0.000 0.976 49 Q CA 1.351 57.248 55.803 0.157 0.000 0.875 49 Q CB -0.134 28.703 28.738 0.164 0.000 0.927 49 Q HN 0.712 nan 8.270 nan 0.000 0.450 50 Q N -0.390 119.503 119.800 0.156 0.000 2.403 50 Q HA 0.103 4.451 4.340 0.013 0.000 0.203 50 Q C -0.194 175.860 176.000 0.090 0.000 0.932 50 Q CA 0.153 56.036 55.803 0.134 0.000 0.945 50 Q CB 0.372 29.087 28.738 -0.038 0.000 1.045 50 Q HN 0.052 nan 8.270 nan 0.000 0.511 51 L N 0.823 122.096 121.223 0.084 0.000 2.353 51 L HA 0.418 4.766 4.340 0.013 0.000 0.270 51 L C -1.146 175.798 176.870 0.123 0.000 1.003 51 L CA -0.338 54.538 54.840 0.061 0.000 0.862 51 L CB 0.938 42.954 42.059 -0.072 0.000 1.221 51 L HN -0.124 nan 8.230 nan 0.000 0.430 52 R N 2.348 122.967 120.500 0.198 0.000 2.532 52 R HA 0.599 4.947 4.340 0.013 0.000 0.295 52 R C -0.509 175.837 176.300 0.076 0.000 0.968 52 R CA -0.656 55.527 56.100 0.138 0.000 0.916 52 R CB 1.951 32.341 30.300 0.150 0.000 1.124 52 R HN 0.639 nan 8.270 nan 0.000 0.463 53 S N 2.264 117.995 115.700 0.050 0.000 2.508 53 S HA 0.291 4.769 4.470 0.013 0.000 0.284 53 S C 0.498 175.119 174.600 0.035 0.000 1.192 53 S CA -0.681 57.540 58.200 0.035 0.000 1.070 53 S CB 0.580 63.806 63.200 0.044 0.000 1.004 53 S HN 0.563 nan 8.310 nan 0.000 0.493 54 L N 3.688 124.934 121.223 0.038 0.000 2.818 54 L HA 0.312 4.660 4.340 0.013 0.000 0.243 54 L C 0.032 177.071 176.870 0.282 0.000 1.185 54 L CA -0.371 54.515 54.840 0.077 0.000 0.988 54 L CB -0.298 41.758 42.059 -0.005 0.000 1.292 54 L HN 0.522 nan 8.230 nan 0.000 0.519 55 N N 1.303 120.114 118.700 0.184 0.000 2.518 55 N HA 0.494 5.242 4.740 0.013 0.000 0.266 55 N C 0.612 176.258 175.510 0.228 0.000 1.196 55 N CA 0.859 54.024 53.050 0.190 0.000 0.947 55 N CB 1.460 39.993 38.487 0.075 0.000 1.098 55 N HN 0.318 nan 8.380 nan 0.000 0.450 56 G N 0.849 109.812 108.800 0.272 0.000 2.366 56 G HA2 -0.053 3.915 3.960 0.013 0.000 0.190 56 G HA3 -0.053 3.915 3.960 0.013 0.000 0.190 56 G C -1.627 173.484 174.900 0.350 0.000 1.299 56 G CA -0.770 44.475 45.100 0.241 0.000 1.056 56 G HN 0.457 nan 8.290 nan 0.000 0.468 57 E N 0.136 120.511 120.200 0.290 0.000 2.194 57 E HA 0.467 4.825 4.350 0.013 0.000 0.284 57 E C -1.034 175.806 176.600 0.400 0.000 1.035 57 E CA -0.209 56.370 56.400 0.298 0.000 0.836 57 E CB 1.243 31.041 29.700 0.163 0.000 1.070 57 E HN 0.350 nan 8.360 nan 0.000 0.401 58 W N 1.525 122.909 121.300 0.139 0.000 2.804 58 W HA 0.402 5.070 4.660 0.013 0.000 0.352 58 W C 0.214 176.848 176.519 0.192 0.000 1.153 58 W CA -0.768 56.690 57.345 0.188 0.000 1.119 58 W CB 0.774 30.401 29.460 0.279 0.000 1.448 58 W HN 0.164 nan 8.180 nan 0.000 0.600 59 R N 1.481 122.261 120.500 0.466 0.000 2.346 59 R HA 0.535 4.883 4.340 0.013 0.000 0.311 59 R C -1.491 175.045 176.300 0.392 0.000 0.983 59 R CA -0.873 55.431 56.100 0.341 0.000 0.880 59 R CB 1.120 31.574 30.300 0.257 0.000 1.100 59 R HN 0.440 nan 8.270 nan 0.000 0.453 60 F N 0.739 120.721 119.950 0.053 0.000 2.578 60 F HA 0.679 5.214 4.527 0.013 0.000 0.311 60 F C -1.399 174.255 175.800 -0.244 0.000 1.094 60 F CA -0.687 57.200 58.000 -0.187 0.000 0.923 60 F CB 2.031 40.797 39.000 -0.390 0.000 1.230 60 F HN 0.605 nan 8.300 nan 0.000 0.450 61 A N 4.385 126.391 122.820 -1.358 0.000 2.455 61 A HA 0.576 4.904 4.320 0.013 0.000 0.300 61 A C -2.429 174.206 177.584 -1.580 0.000 1.040 61 A CA -0.524 50.839 52.037 -1.123 0.000 0.697 61 A CB 0.723 19.392 19.000 -0.552 0.000 1.265 61 A HN 0.941 nan 8.150 nan 0.000 0.407 62 W N 2.543 122.989 121.300 -1.424 0.000 2.520 62 W HA 0.763 5.431 4.660 0.013 0.000 0.323 62 W C -1.838 174.060 176.519 -1.035 0.000 1.062 62 W CA -0.394 56.280 57.345 -1.119 0.000 1.215 62 W CB 1.146 30.182 29.460 -0.707 0.000 1.340 62 W HN 0.503 nan 8.180 nan 0.000 0.516 63 F N 5.969 125.177 119.950 -1.236 0.000 2.588 63 F HA 0.386 4.921 4.527 0.013 0.000 0.314 63 F C -1.262 173.567 175.800 -1.619 0.000 1.069 63 F CA -2.170 55.223 58.000 -1.012 0.000 0.931 63 F CB 1.904 40.496 39.000 -0.681 0.000 1.260 63 F HN 0.209 nan 8.300 nan 0.000 0.465 64 P HA 0.122 nan 4.420 nan 0.000 0.229 64 P C -0.328 176.825 177.300 -0.245 0.000 1.160 64 P CA 0.874 63.702 63.100 -0.453 0.000 0.777 64 P CB 0.877 32.582 31.700 0.008 0.000 0.814 65 A N -0.266 122.419 122.820 -0.225 0.000 2.597 65 A HA 0.495 4.823 4.320 0.013 0.000 0.292 65 A C -2.444 175.020 177.584 -0.201 0.000 1.057 65 A CA -0.984 50.967 52.037 -0.144 0.000 0.674 65 A CB 0.453 19.439 19.000 -0.023 0.000 1.278 65 A HN -0.269 nan 8.150 nan 0.000 0.416 66 P HA -0.140 nan 4.420 nan 0.000 0.220 66 P C 0.611 177.809 177.300 -0.169 0.000 1.148 66 P CA 1.497 64.450 63.100 -0.245 0.000 0.803 66 P CB 0.271 31.792 31.700 -0.299 0.000 0.782 67 E N 0.248 120.408 120.200 -0.067 0.000 2.338 67 E HA -0.018 4.340 4.350 0.013 0.000 0.197 67 E C 2.060 178.598 176.600 -0.103 0.000 1.007 67 E CA 1.062 57.437 56.400 -0.041 0.000 0.849 67 E CB -0.729 28.983 29.700 0.020 0.000 0.774 67 E HN 0.268 nan 8.360 nan 0.000 0.506 68 A N 0.362 123.090 122.820 -0.153 0.000 2.218 68 A HA 0.098 4.426 4.320 0.013 0.000 0.209 68 A C 0.725 178.062 177.584 -0.411 0.000 1.168 68 A CA -0.140 51.813 52.037 -0.139 0.000 0.804 68 A CB 0.294 19.299 19.000 0.009 0.000 0.834 68 A HN 0.042 nan 8.150 nan 0.000 0.482 69 V N 3.480 122.987 119.914 -0.679 0.000 2.470 69 V HA 0.175 4.303 4.120 0.013 0.000 0.276 69 V C -1.982 173.783 176.094 -0.548 0.000 1.040 69 V CA -1.400 60.248 62.300 -1.088 0.000 1.008 69 V CB 0.628 31.873 31.823 -0.963 0.000 0.990 69 V HN 0.369 nan 8.190 nan 0.000 0.477 70 P HA 0.215 nan 4.420 nan 0.000 0.276 70 P C 0.102 177.347 177.300 -0.092 0.000 1.230 70 P CA -0.308 62.694 63.100 -0.163 0.000 0.776 70 P CB 1.412 33.079 31.700 -0.056 0.000 0.888 71 E N 1.268 121.424 120.200 -0.073 0.000 2.204 71 E HA -0.159 4.199 4.350 0.013 0.000 0.195 71 E C 1.985 178.555 176.600 -0.051 0.000 0.990 71 E CA 1.729 58.086 56.400 -0.072 0.000 0.821 71 E CB -0.590 29.072 29.700 -0.063 0.000 0.750 71 E HN 0.567 nan 8.360 nan 0.000 0.477 72 S N -0.343 115.351 115.700 -0.012 0.000 2.442 72 S HA -0.200 4.278 4.470 0.013 0.000 0.236 72 S C 1.775 176.386 174.600 0.018 0.000 1.007 72 S CA 0.686 58.885 58.200 -0.001 0.000 0.965 72 S CB -0.687 62.525 63.200 0.020 0.000 0.773 72 S HN 0.562 nan 8.310 nan 0.000 0.504 73 W N 2.454 123.664 121.300 -0.150 0.000 2.350 73 W HA 0.053 4.721 4.660 0.013 0.000 0.289 73 W C 1.570 177.983 176.519 -0.177 0.000 1.215 73 W CA 0.808 58.064 57.345 -0.148 0.000 1.236 73 W CB -0.376 28.966 29.460 -0.198 0.000 1.130 73 W HN 0.268 nan 8.180 nan 0.000 0.541 74 L N 0.123 121.110 121.223 -0.392 0.000 2.191 74 L HA -0.123 4.225 4.340 0.013 0.000 0.212 74 L C 1.303 177.938 176.870 -0.391 0.000 1.103 74 L CA 1.494 55.958 54.840 -0.625 0.000 0.769 74 L CB -0.534 41.187 42.059 -0.563 0.000 0.908 74 L HN 0.012 nan 8.230 nan 0.000 0.438 75 E N -1.874 118.183 120.200 -0.238 0.000 2.876 75 E HA 0.172 4.530 4.350 0.013 0.000 0.208 75 E C -0.735 175.803 176.600 -0.102 0.000 0.981 75 E CA -0.187 56.129 56.400 -0.141 0.000 1.174 75 E CB 1.090 30.742 29.700 -0.081 0.000 1.047 75 E HN 0.210 nan 8.360 nan 0.000 0.477 76 C N 1.123 120.353 119.300 -0.116 0.000 3.094 76 C HA 0.128 4.596 4.460 0.013 0.000 0.414 76 C C -1.196 173.787 174.990 -0.012 0.000 0.993 76 C CA -1.032 57.956 59.018 -0.049 0.000 1.217 76 C CB 0.567 28.297 27.740 -0.017 0.000 1.603 76 C HN 0.456 nan 8.230 nan 0.000 0.564 77 D N 3.556 123.963 120.400 0.012 0.000 2.533 77 D HA 0.203 4.851 4.640 0.013 0.000 0.236 77 D C -0.046 176.327 176.300 0.122 0.000 1.137 77 D CA 0.458 54.506 54.000 0.081 0.000 0.867 77 D CB 0.692 41.532 40.800 0.067 0.000 1.170 77 D HN 0.614 nan 8.370 nan 0.000 0.474 78 L N 5.999 127.343 121.223 0.202 0.000 2.369 78 L HA 0.179 4.527 4.340 0.013 0.000 0.279 78 L C -1.318 175.610 176.870 0.097 0.000 1.108 78 L CA -1.445 53.490 54.840 0.159 0.000 0.852 78 L CB 0.998 43.169 42.059 0.187 0.000 1.169 78 L HN 0.529 nan 8.230 nan 0.000 0.452 79 P HA -0.219 nan 4.420 nan 0.000 0.216 79 P C 1.045 178.367 177.300 0.038 0.000 1.150 79 P CA 1.069 64.198 63.100 0.048 0.000 0.843 79 P CB 0.137 31.859 31.700 0.037 0.000 0.787 80 E N -0.637 119.580 120.200 0.027 0.000 2.502 80 E HA 0.076 4.434 4.350 0.013 0.000 0.194 80 E C 0.685 177.283 176.600 -0.004 0.000 1.062 80 E CA 0.081 56.484 56.400 0.005 0.000 0.867 80 E CB -0.648 29.042 29.700 -0.016 0.000 0.888 80 E HN 0.051 nan 8.360 nan 0.000 0.510 81 A N 1.444 124.271 122.820 0.011 0.000 2.366 81 A HA 0.188 4.515 4.320 0.013 0.000 0.249 81 A C -0.123 177.498 177.584 0.062 0.000 1.084 81 A CA -0.267 51.772 52.037 0.003 0.000 0.794 81 A CB 0.339 19.363 19.000 0.040 0.000 1.034 81 A HN 0.071 nan 8.150 nan 0.000 0.491 82 D N 0.017 120.480 120.400 0.106 0.000 2.326 82 D HA 0.455 5.103 4.640 0.013 0.000 0.248 82 D C -0.618 175.787 176.300 0.174 0.000 1.001 82 D CA 0.043 54.134 54.000 0.151 0.000 0.961 82 D CB 1.355 42.292 40.800 0.229 0.000 1.183 82 D HN 0.388 nan 8.370 nan 0.000 0.502 83 T N 0.680 115.319 114.554 0.140 0.000 2.733 83 T HA 0.457 4.814 4.350 0.013 0.000 0.294 83 T C 0.227 175.003 174.700 0.125 0.000 0.956 83 T CA -0.562 61.627 62.100 0.148 0.000 0.987 83 T CB 0.552 69.485 68.868 0.108 0.000 0.920 83 T HN 0.263 nan 8.240 nan 0.000 0.470 84 V N 1.449 121.462 119.914 0.165 0.000 3.126 84 V HA 0.814 4.942 4.120 0.013 0.000 0.314 84 V C -0.273 175.910 176.094 0.148 0.000 1.138 84 V CA -1.046 61.300 62.300 0.075 0.000 1.034 84 V CB 1.695 33.544 31.823 0.042 0.000 1.075 84 V HN 0.484 nan 8.190 nan 0.000 0.442 85 V N 1.806 121.782 119.914 0.103 0.000 2.546 85 V HA 0.578 4.706 4.120 0.013 0.000 0.284 85 V C 0.003 176.166 176.094 0.116 0.000 1.050 85 V CA -0.152 62.226 62.300 0.130 0.000 0.981 85 V CB 1.340 33.209 31.823 0.076 0.000 0.990 85 V HN 0.760 nan 8.190 nan 0.000 0.474 86 V N 6.421 126.340 119.914 0.008 0.000 2.735 86 V HA 0.477 4.605 4.120 0.013 0.000 0.310 86 V C -2.245 173.759 176.094 -0.150 0.000 1.061 86 V CA -1.672 60.509 62.300 -0.199 0.000 0.913 86 V CB 2.509 33.872 31.823 -0.766 0.000 1.005 86 V HN 0.764 nan 8.190 nan 0.000 0.428 87 P HA 0.398 nan 4.420 nan 0.000 0.274 87 P C -0.698 176.534 177.300 -0.113 0.000 1.237 87 P CA 0.027 63.016 63.100 -0.185 0.000 0.793 87 P CB 1.457 33.050 31.700 -0.178 0.000 0.977 88 S N -0.271 115.375 115.700 -0.089 0.000 2.683 88 S HA 0.270 4.748 4.470 0.013 0.000 0.278 88 S C -1.482 173.042 174.600 -0.128 0.000 1.059 88 S CA -1.077 57.047 58.200 -0.127 0.000 0.847 88 S CB -0.221 62.878 63.200 -0.168 0.000 1.078 88 S HN 0.410 nan 8.310 nan 0.000 0.456 89 N N 1.283 119.840 118.700 -0.238 0.000 2.419 89 N HA 0.451 5.199 4.740 0.013 0.000 0.277 89 N C 0.579 175.911 175.510 -0.296 0.000 1.006 89 N CA -0.719 52.156 53.050 -0.292 0.000 0.923 89 N CB 0.567 38.847 38.487 -0.345 0.000 1.140 89 N HN 0.846 nan 8.380 nan 0.000 0.488 90 W N 2.192 123.374 121.300 -0.197 0.000 2.538 90 W HA -0.032 4.636 4.660 0.014 0.000 0.254 90 W C 0.846 177.378 176.519 0.022 0.000 1.249 90 W CA 0.454 57.719 57.345 -0.134 0.000 1.253 90 W CB -0.360 29.000 29.460 -0.166 0.000 1.130 90 W HN 0.499 nan 8.180 nan 0.000 0.618 91 Q N 0.492 120.283 119.800 -0.015 0.000 2.172 91 Q HA -0.077 4.271 4.340 0.013 0.000 0.200 91 Q C 2.171 178.120 176.000 -0.084 0.000 0.964 91 Q CA 1.621 57.412 55.803 -0.019 0.000 0.855 91 Q CB -0.530 28.073 28.738 -0.225 0.000 0.918 91 Q HN 0.256 nan 8.270 nan 0.000 0.444 92 M N -0.359 119.137 119.600 -0.174 0.000 2.557 92 M HA -0.044 4.444 4.480 0.013 0.000 0.259 92 M C 0.553 176.851 176.300 -0.004 0.000 1.086 92 M CA 1.152 56.358 55.300 -0.157 0.000 1.096 92 M CB -0.323 32.142 32.600 -0.226 0.000 1.424 92 M HN 0.204 nan 8.290 nan 0.000 0.488 93 H N -0.508 118.578 119.070 0.027 0.000 2.586 93 H HA 0.391 4.955 4.556 0.013 0.000 0.273 93 H C 1.549 176.741 175.328 -0.227 0.000 0.997 93 H CA 0.391 56.420 56.048 -0.031 0.000 1.177 93 H CB 0.050 29.886 29.762 0.123 0.000 1.471 93 H HN 0.491 nan 8.280 nan 0.000 0.538 94 G N 0.422 109.206 108.800 -0.028 0.000 2.159 94 G HA2 -0.380 3.588 3.960 0.013 0.000 0.256 94 G HA3 -0.380 3.588 3.960 0.013 0.000 0.256 94 G C 0.773 175.536 174.900 -0.228 0.000 0.977 94 G CA 0.489 45.513 45.100 -0.127 0.000 0.652 94 G HN 0.413 nan 8.290 nan 0.000 0.531 95 Y N 1.705 122.030 120.300 0.042 0.000 2.224 95 Y HA 0.221 4.779 4.550 0.013 0.000 0.289 95 Y C 1.736 177.417 175.900 -0.365 0.000 1.146 95 Y CA 1.825 59.832 58.100 -0.155 0.000 1.182 95 Y CB 0.100 38.544 38.460 -0.027 0.000 0.983 95 Y HN 0.687 nan 8.280 nan 0.000 0.524 96 D N -2.312 118.138 120.400 0.083 0.000 2.665 96 D HA 0.498 5.146 4.640 0.013 0.000 0.287 96 D C -1.185 175.187 176.300 0.120 0.000 1.266 96 D CA -0.808 53.222 54.000 0.050 0.000 0.830 96 D CB 0.755 41.675 40.800 0.200 0.000 1.356 96 D HN -0.019 nan 8.370 nan 0.000 0.437 97 A N 0.205 123.104 122.820 0.131 0.000 2.331 97 A HA 0.653 4.981 4.320 0.013 0.000 0.283 97 A C -2.246 175.372 177.584 0.057 0.000 1.142 97 A CA -1.114 50.990 52.037 0.113 0.000 0.812 97 A CB 0.016 19.142 19.000 0.211 0.000 1.074 97 A HN 0.541 nan 8.150 nan 0.000 0.497 98 P HA 0.345 nan 4.420 nan 0.000 0.278 98 P C -0.903 176.550 177.300 0.255 0.000 1.238 98 P CA -0.105 62.933 63.100 -0.104 0.000 0.794 98 P CB 1.049 32.406 31.700 -0.571 0.000 0.955 99 I N 3.435 124.241 120.570 0.394 0.000 2.378 99 I HA 0.204 4.382 4.170 0.013 0.000 0.291 99 I C -0.322 175.992 176.117 0.327 0.000 0.992 99 I CA -0.941 60.596 61.300 0.395 0.000 1.154 99 I CB 0.841 39.018 38.000 0.295 0.000 1.315 99 I HN 0.391 nan 8.210 nan 0.000 0.448 100 Y N 6.080 126.348 120.300 -0.054 0.000 2.491 100 Y HA 0.513 5.070 4.550 0.013 0.000 0.334 100 Y C -0.148 175.603 175.900 -0.248 0.000 0.969 100 Y CA -0.512 57.271 58.100 -0.529 0.000 1.241 100 Y CB 0.960 38.584 38.460 -1.393 0.000 1.105 100 Y HN 0.626 nan 8.280 nan 0.000 0.503 101 T N 5.088 119.137 114.554 -0.841 0.000 2.876 101 T HA 0.280 4.638 4.350 0.013 0.000 0.289 101 T C 0.258 174.541 174.700 -0.695 0.000 1.014 101 T CA -0.545 61.111 62.100 -0.741 0.000 0.986 101 T CB 1.210 69.876 68.868 -0.337 0.000 1.021 101 T HN 0.902 nan 8.240 nan 0.000 0.458 102 N N 2.342 120.695 118.700 -0.579 0.000 2.220 102 N HA 0.001 4.749 4.740 0.013 0.000 0.193 102 N C 1.468 176.783 175.510 -0.325 0.000 1.052 102 N CA 0.727 53.592 53.050 -0.308 0.000 0.898 102 N CB 0.130 38.500 38.487 -0.195 0.000 1.080 102 N HN 0.369 nan 8.380 nan 0.000 0.467 103 V N 0.590 120.238 119.914 -0.443 0.000 2.374 103 V HA 0.019 4.147 4.120 0.013 0.000 0.241 103 V C 0.594 176.389 176.094 -0.497 0.000 1.034 103 V CA 0.849 62.786 62.300 -0.604 0.000 1.037 103 V CB -0.460 30.890 31.823 -0.789 0.000 0.682 103 V HN 0.383 nan 8.190 nan 0.000 0.463 104 T N 1.284 115.613 114.554 -0.375 0.000 2.871 104 T HA 0.086 4.444 4.350 0.013 0.000 0.296 104 T C -0.345 174.219 174.700 -0.228 0.000 0.998 104 T CA 0.286 62.232 62.100 -0.257 0.000 1.162 104 T CB -0.369 68.387 68.868 -0.187 0.000 0.947 104 T HN 0.169 nan 8.240 nan 0.000 0.536 105 Y N 5.186 125.393 120.300 -0.155 0.000 2.702 105 Y HA 0.088 4.646 4.550 0.013 0.000 0.336 105 Y C -0.637 175.133 175.900 -0.215 0.000 1.235 105 Y CA -1.554 56.440 58.100 -0.177 0.000 1.492 105 Y CB 0.311 38.661 38.460 -0.182 0.000 1.308 105 Y HN 0.512 nan 8.280 nan 0.000 0.589 106 P HA -0.068 nan 4.420 nan 0.000 0.230 106 P C -0.110 176.974 177.300 -0.360 0.000 1.158 106 P CA 1.295 64.278 63.100 -0.195 0.000 0.769 106 P CB 0.298 31.908 31.700 -0.150 0.000 0.807 107 I N -3.761 116.551 120.570 -0.430 0.000 3.002 107 I HA 0.427 4.605 4.170 0.013 0.000 0.310 107 I C -0.531 175.457 176.117 -0.214 0.000 1.087 107 I CA -1.226 59.814 61.300 -0.435 0.000 1.017 107 I CB 0.740 38.313 38.000 -0.712 0.000 1.226 107 I HN -0.408 nan 8.210 nan 0.000 0.443 108 T N 3.115 117.593 114.554 -0.126 0.000 2.934 108 T HA 0.204 4.562 4.350 0.013 0.000 0.306 108 T C 0.499 175.193 174.700 -0.010 0.000 1.042 108 T CA -0.133 61.944 62.100 -0.039 0.000 1.145 108 T CB 0.257 69.125 68.868 -0.000 0.000 0.982 108 T HN 0.423 nan 8.240 nan 0.000 0.544 109 V N 4.706 124.633 119.914 0.020 0.000 2.364 109 V HA 0.210 4.338 4.120 0.013 0.000 0.252 109 V C 0.702 176.847 176.094 0.084 0.000 1.075 109 V CA -0.136 62.200 62.300 0.061 0.000 1.033 109 V CB -0.426 31.423 31.823 0.045 0.000 1.116 109 V HN 0.890 nan 8.190 nan 0.000 0.488 110 N N 5.836 124.636 118.700 0.166 0.000 2.700 110 N HA 0.235 4.983 4.740 0.013 0.000 0.242 110 N C -2.769 172.792 175.510 0.086 0.000 1.541 110 N CA -1.080 52.048 53.050 0.129 0.000 0.764 110 N CB 1.512 40.115 38.487 0.194 0.000 1.319 110 N HN 0.313 nan 8.380 nan 0.000 0.518 111 P HA 0.169 nan 4.420 nan 0.000 0.266 111 P C -2.146 174.934 177.300 -0.367 0.000 1.195 111 P CA -0.599 62.113 63.100 -0.646 0.000 0.768 111 P CB 0.842 31.989 31.700 -0.923 0.000 0.838 112 P HA 0.191 nan 4.420 nan 0.000 0.258 112 P C -0.375 176.836 177.300 -0.149 0.000 1.416 112 P CA -0.230 62.692 63.100 -0.297 0.000 0.927 112 P CB 0.014 31.507 31.700 -0.345 0.000 1.444 113 F N 1.435 121.493 119.950 0.181 0.000 2.389 113 F HA 0.264 4.799 4.527 0.014 0.000 0.337 113 F C 1.298 177.266 175.800 0.281 0.000 1.112 113 F CA -0.830 57.288 58.000 0.198 0.000 1.192 113 F CB 0.594 39.659 39.000 0.109 0.000 1.185 113 F HN -0.203 nan 8.300 nan 0.000 0.552 114 V N -0.400 119.790 119.914 0.459 0.000 3.046 114 V HA 0.718 4.846 4.120 0.013 0.000 0.316 114 V C -2.772 173.486 176.094 0.273 0.000 1.104 114 V CA -3.017 59.471 62.300 0.314 0.000 1.006 114 V CB 1.439 33.504 31.823 0.404 0.000 1.058 114 V HN 0.501 nan 8.190 nan 0.000 0.440 115 P HA 0.162 nan 4.420 nan 0.000 0.266 115 P C 1.143 178.583 177.300 0.233 0.000 1.195 115 P CA 0.632 63.830 63.100 0.164 0.000 0.768 115 P CB 0.580 32.349 31.700 0.115 0.000 0.838 116 T N -1.245 113.417 114.554 0.180 0.000 2.833 116 T HA -0.103 4.255 4.350 0.013 0.000 0.269 116 T C 0.678 175.483 174.700 0.175 0.000 1.054 116 T CA 0.930 63.137 62.100 0.179 0.000 1.135 116 T CB -0.418 68.521 68.868 0.120 0.000 0.869 116 T HN 0.281 nan 8.240 nan 0.000 0.466 117 E N 3.125 123.431 120.200 0.177 0.000 1.802 117 E HA 0.221 4.579 4.350 0.013 0.000 0.265 117 E C -0.642 176.108 176.600 0.249 0.000 1.168 117 E CA -0.113 56.396 56.400 0.182 0.000 1.033 117 E CB -0.206 29.610 29.700 0.193 0.000 1.095 117 E HN 0.366 nan 8.360 nan 0.000 0.436 118 N N 3.219 122.032 118.700 0.188 0.000 2.558 118 N HA 0.224 4.972 4.740 0.013 0.000 0.242 118 N C -2.776 172.738 175.510 0.007 0.000 0.979 118 N CA -2.421 50.754 53.050 0.207 0.000 0.931 118 N CB 1.046 39.637 38.487 0.174 0.000 1.122 118 N HN -0.087 nan 8.380 nan 0.000 0.508 119 P HA -0.024 nan 4.420 nan 0.000 0.256 119 P C -0.862 176.313 177.300 -0.209 0.000 1.173 119 P CA 0.629 63.663 63.100 -0.111 0.000 0.768 119 P CB 0.290 32.234 31.700 0.408 0.000 0.758 120 T N 3.241 117.435 114.554 -0.599 0.000 2.779 120 T HA 0.530 4.888 4.350 0.013 0.000 0.280 120 T C 0.482 174.757 174.700 -0.709 0.000 0.987 120 T CA -0.523 61.306 62.100 -0.451 0.000 0.966 120 T CB 1.367 69.991 68.868 -0.408 0.000 0.933 120 T HN 0.299 nan 8.240 nan 0.000 0.442 121 G N 1.242 109.753 108.800 -0.481 0.000 2.347 121 G HA2 0.456 4.424 3.960 0.013 0.000 0.314 121 G HA3 0.456 4.424 3.960 0.013 0.000 0.314 121 G C -0.207 174.630 174.900 -0.105 0.000 1.126 121 G CA -0.387 44.398 45.100 -0.525 0.000 0.929 121 G HN 0.863 nan 8.290 nan 0.000 0.441 122 C N 3.548 122.534 119.300 -0.523 0.000 2.200 122 C HA 0.429 4.897 4.460 0.013 0.000 0.328 122 C C -0.442 174.628 174.990 0.133 0.000 1.148 122 C CA -1.010 57.789 59.018 -0.364 0.000 1.624 122 C CB -1.806 25.209 27.740 -1.208 0.000 2.167 122 C HN 0.618 nan 8.230 nan 0.000 0.484 123 Y N 1.978 122.620 120.300 0.570 0.000 2.352 123 Y HA 0.609 5.168 4.550 0.014 0.000 0.326 123 Y C 0.859 177.241 175.900 0.803 0.000 1.166 123 Y CA -0.228 58.298 58.100 0.710 0.000 1.182 123 Y CB 1.300 40.139 38.460 0.631 0.000 1.216 123 Y HN 0.672 nan 8.280 nan 0.000 0.474 124 S N 2.266 118.461 115.700 0.826 0.000 2.556 124 S HA 0.824 5.302 4.470 0.013 0.000 0.271 124 S C -1.858 172.862 174.600 0.199 0.000 1.135 124 S CA -0.806 57.660 58.200 0.442 0.000 0.858 124 S CB 2.177 65.544 63.200 0.278 0.000 1.114 124 S HN 0.608 nan 8.310 nan 0.000 0.468 125 L N 0.827 121.998 121.223 -0.087 0.000 2.513 125 L HA 0.702 5.050 4.340 0.013 0.000 0.261 125 L C -1.203 175.628 176.870 -0.065 0.000 0.945 125 L CA 0.120 54.755 54.840 -0.342 0.000 0.848 125 L CB 2.302 43.669 42.059 -1.152 0.000 1.334 125 L HN 0.915 nan 8.230 nan 0.000 0.407 126 T N 5.334 119.880 114.554 -0.014 0.000 2.758 126 T HA 0.757 5.115 4.350 0.013 0.000 0.285 126 T C -0.876 173.913 174.700 0.148 0.000 0.981 126 T CA -0.033 62.112 62.100 0.074 0.000 0.965 126 T CB 0.376 69.244 68.868 0.000 0.000 0.927 126 T HN 0.435 nan 8.240 nan 0.000 0.448 127 F N 0.895 120.767 119.950 -0.128 0.000 2.664 127 F HA 0.818 5.353 4.527 0.013 0.000 0.317 127 F C -1.075 174.670 175.800 -0.092 0.000 1.108 127 F CA -1.773 56.154 58.000 -0.121 0.000 0.957 127 F CB 0.993 39.908 39.000 -0.142 0.000 1.365 127 F HN 0.241 nan 8.300 nan 0.000 0.475 128 N N -0.230 118.379 118.700 -0.152 0.000 2.292 128 N HA 0.750 5.498 4.740 0.013 0.000 0.303 128 N C -1.733 173.665 175.510 -0.186 0.000 1.140 128 N CA -0.764 52.138 53.050 -0.247 0.000 0.788 128 N CB 2.442 40.836 38.487 -0.155 0.000 1.361 128 N HN 0.567 nan 8.380 nan 0.000 0.489 129 V N 0.769 120.546 119.914 -0.228 0.000 2.588 129 V HA 0.263 4.391 4.120 0.013 0.000 0.304 129 V C -0.784 175.137 176.094 -0.289 0.000 1.042 129 V CA -1.057 61.092 62.300 -0.251 0.000 0.877 129 V CB 1.524 33.294 31.823 -0.089 0.000 0.996 129 V HN 0.875 nan 8.190 nan 0.000 0.425 130 D N 3.409 123.531 120.400 -0.463 0.000 2.472 130 D HA -0.003 4.645 4.640 0.013 0.000 0.237 130 D C 1.042 177.215 176.300 -0.211 0.000 1.141 130 D CA -0.204 53.590 54.000 -0.344 0.000 0.875 130 D CB 0.892 41.438 40.800 -0.424 0.000 1.192 130 D HN 0.454 nan 8.370 nan 0.000 0.450 131 E N 1.830 121.966 120.200 -0.107 0.000 2.086 131 E HA -0.317 4.041 4.350 0.013 0.000 0.205 131 E C 2.156 178.772 176.600 0.027 0.000 1.027 131 E CA 2.040 58.421 56.400 -0.032 0.000 0.830 131 E CB -0.818 28.868 29.700 -0.024 0.000 0.751 131 E HN 0.758 nan 8.360 nan 0.000 0.456 132 S N -0.077 115.646 115.700 0.038 0.000 2.423 132 S HA -0.193 4.285 4.470 0.013 0.000 0.238 132 S C 1.713 176.414 174.600 0.169 0.000 1.028 132 S CA 1.182 59.444 58.200 0.104 0.000 1.000 132 S CB -0.623 62.648 63.200 0.119 0.000 0.797 132 S HN 0.269 nan 8.310 nan 0.000 0.487 133 W N 1.488 122.660 121.300 -0.214 0.000 2.584 133 W HA 0.385 5.053 4.660 0.014 0.000 0.264 133 W C 1.867 178.371 176.519 -0.025 0.000 1.264 133 W CA -0.394 56.751 57.345 -0.335 0.000 1.306 133 W CB -0.646 28.631 29.460 -0.306 0.000 1.110 133 W HN 0.329 nan 8.180 nan 0.000 0.606 134 L N -0.550 120.797 121.223 0.208 0.000 2.446 134 L HA -0.008 4.340 4.340 0.013 0.000 0.219 134 L C 1.891 178.832 176.870 0.117 0.000 1.116 134 L CA 0.823 55.753 54.840 0.150 0.000 0.844 134 L CB -0.415 41.697 42.059 0.088 0.000 0.970 134 L HN -0.044 nan 8.230 nan 0.000 0.457 135 Q N -0.891 118.976 119.800 0.113 0.000 2.392 135 Q HA 0.161 4.509 4.340 0.013 0.000 0.219 135 Q C -0.061 175.996 176.000 0.095 0.000 0.895 135 Q CA 0.404 56.258 55.803 0.086 0.000 0.929 135 Q CB 0.937 29.715 28.738 0.066 0.000 1.077 135 Q HN 0.263 nan 8.270 nan 0.000 0.532 136 E N -0.787 119.496 120.200 0.137 0.000 2.449 136 E HA 0.488 4.846 4.350 0.013 0.000 0.278 136 E C -0.185 176.539 176.600 0.207 0.000 0.992 136 E CA -0.068 56.412 56.400 0.133 0.000 0.807 136 E CB 1.603 31.371 29.700 0.114 0.000 1.350 136 E HN 0.180 nan 8.360 nan 0.000 0.462 137 G N 1.107 109.949 108.800 0.070 0.000 2.804 137 G HA2 -0.267 3.701 3.960 0.013 0.000 0.230 137 G HA3 -0.267 3.701 3.960 0.013 0.000 0.230 137 G C -0.502 174.286 174.900 -0.187 0.000 1.386 137 G CA 0.102 45.118 45.100 -0.140 0.000 0.875 137 G HN 0.502 nan 8.290 nan 0.000 0.557 138 Q N -0.454 119.079 119.800 -0.446 0.000 2.316 138 Q HA 0.626 4.974 4.340 0.013 0.000 0.264 138 Q C -0.831 174.979 176.000 -0.317 0.000 0.987 138 Q CA -0.469 55.179 55.803 -0.257 0.000 0.852 138 Q CB 1.358 29.986 28.738 -0.183 0.000 1.287 138 Q HN 0.591 nan 8.270 nan 0.000 0.448 139 T N 5.148 119.686 114.554 -0.025 0.000 2.770 139 T HA 0.467 4.825 4.350 0.013 0.000 0.283 139 T C -0.642 174.121 174.700 0.105 0.000 0.988 139 T CA -0.647 61.498 62.100 0.075 0.000 0.957 139 T CB 0.558 69.617 68.868 0.317 0.000 0.930 139 T HN 0.642 nan 8.240 nan 0.000 0.443 140 R N 2.159 122.699 120.500 0.066 0.000 2.832 140 R HA 0.811 5.159 4.340 0.013 0.000 0.271 140 R C -1.185 175.182 176.300 0.112 0.000 0.996 140 R CA -1.002 55.158 56.100 0.101 0.000 0.977 140 R CB 1.189 31.528 30.300 0.064 0.000 1.168 140 R HN 0.454 nan 8.270 nan 0.000 0.482 141 I N 1.994 122.646 120.570 0.138 0.000 2.412 141 I HA 0.434 4.612 4.170 0.013 0.000 0.296 141 I C -1.093 175.060 176.117 0.061 0.000 0.987 141 I CA -1.353 59.986 61.300 0.066 0.000 1.180 141 I CB 1.515 39.582 38.000 0.111 0.000 1.340 141 I HN 0.651 nan 8.210 nan 0.000 0.455 142 I N 7.823 128.325 120.570 -0.113 0.000 2.418 142 I HA 0.310 4.488 4.170 0.013 0.000 0.287 142 I C -1.300 174.658 176.117 -0.265 0.000 1.008 142 I CA -0.427 60.825 61.300 -0.080 0.000 1.104 142 I CB 1.143 39.108 38.000 -0.059 0.000 1.264 142 I HN 0.371 nan 8.210 nan 0.000 0.438 143 F N 4.534 124.470 119.950 -0.023 0.000 2.308 143 F HA 0.277 4.812 4.527 0.013 0.000 0.370 143 F C 1.341 177.022 175.800 -0.199 0.000 1.100 143 F CA -0.538 57.375 58.000 -0.145 0.000 1.108 143 F CB 0.702 39.571 39.000 -0.219 0.000 1.293 143 F HN 0.453 nan 8.300 nan 0.000 0.478 144 D N 2.346 122.657 120.400 -0.149 0.000 2.263 144 D HA 0.006 4.654 4.640 0.013 0.000 0.208 144 D C 1.028 177.148 176.300 -0.300 0.000 0.971 144 D CA 0.991 54.855 54.000 -0.226 0.000 0.867 144 D CB 0.376 40.986 40.800 -0.317 0.000 0.929 144 D HN 0.631 nan 8.370 nan 0.000 0.492 145 G N -0.369 108.191 108.800 -0.400 0.000 2.635 145 G HA2 0.430 4.398 3.960 0.013 0.000 0.295 145 G HA3 0.430 4.398 3.960 0.013 0.000 0.295 145 G C -1.443 173.148 174.900 -0.514 0.000 1.359 145 G CA -0.439 44.299 45.100 -0.603 0.000 1.232 145 G HN -0.050 nan 8.290 nan 0.000 0.597 146 V N 2.557 122.365 119.914 -0.178 0.000 2.525 146 V HA 0.519 4.647 4.120 0.013 0.000 0.299 146 V C -0.801 175.354 176.094 0.101 0.000 1.034 146 V CA -1.220 60.991 62.300 -0.147 0.000 0.863 146 V CB 1.964 33.435 31.823 -0.587 0.000 0.999 146 V HN 0.679 nan 8.190 nan 0.000 0.423 147 N N 2.401 121.166 118.700 0.109 0.000 2.444 147 N HA 0.324 5.072 4.740 0.013 0.000 0.262 147 N C 0.597 176.043 175.510 -0.107 0.000 0.974 147 N CA 0.122 53.152 53.050 -0.034 0.000 0.933 147 N CB 2.093 40.406 38.487 -0.289 0.000 1.137 147 N HN 0.745 nan 8.380 nan 0.000 0.498 148 S N 1.660 117.338 115.700 -0.036 0.000 2.603 148 S HA 0.591 5.069 4.470 0.013 0.000 0.232 148 S C 0.181 174.843 174.600 0.103 0.000 1.016 148 S CA -0.149 58.078 58.200 0.043 0.000 0.976 148 S CB 0.368 63.610 63.200 0.070 0.000 0.921 148 S HN 0.630 nan 8.310 nan 0.000 0.516 149 A N 0.943 123.837 122.820 0.123 0.000 2.605 149 A HA 0.721 5.049 4.320 0.013 0.000 0.294 149 A C -1.336 176.363 177.584 0.191 0.000 1.062 149 A CA -0.879 51.213 52.037 0.092 0.000 0.682 149 A CB 0.780 19.854 19.000 0.124 0.000 1.278 149 A HN 1.091 nan 8.150 nan 0.000 0.410 150 F N -0.356 119.434 119.950 -0.267 0.000 2.713 150 F HA 0.793 5.328 4.527 0.013 0.000 0.311 150 F C -1.184 174.517 175.800 -0.166 0.000 1.141 150 F CA -0.840 57.082 58.000 -0.129 0.000 0.939 150 F CB 1.000 39.899 39.000 -0.169 0.000 1.325 150 F HN 0.631 nan 8.300 nan 0.000 0.453 151 H N 1.584 120.696 119.070 0.071 0.000 2.529 151 H HA 0.731 5.295 4.556 0.014 0.000 0.348 151 H C -1.489 173.638 175.328 -0.334 0.000 1.152 151 H CA -0.712 55.237 56.048 -0.164 0.000 1.202 151 H CB 2.515 32.228 29.762 -0.082 0.000 1.562 151 H HN 0.793 nan 8.280 nan 0.000 0.515 152 L N 2.783 123.626 121.223 -0.634 0.000 2.365 152 L HA 0.427 4.775 4.340 0.013 0.000 0.273 152 L C -1.597 174.888 176.870 -0.641 0.000 1.000 152 L CA -0.471 54.084 54.840 -0.475 0.000 0.819 152 L CB 1.451 43.128 42.059 -0.637 0.000 1.284 152 L HN 0.500 nan 8.230 nan 0.000 0.418 153 W N 4.267 125.515 121.300 -0.086 0.000 2.915 153 W HA 0.557 5.225 4.660 0.014 0.000 0.337 153 W C -1.279 175.186 176.519 -0.091 0.000 1.102 153 W CA -0.778 56.517 57.345 -0.083 0.000 1.224 153 W CB 2.012 31.457 29.460 -0.025 0.000 1.416 153 W HN 0.561 nan 8.180 nan 0.000 0.503 154 C N 5.091 124.475 119.300 0.141 0.000 2.381 154 C HA 0.298 4.766 4.460 0.013 0.000 0.328 154 C C 0.228 175.348 174.990 0.217 0.000 1.190 154 C CA -0.329 58.776 59.018 0.146 0.000 1.369 154 C CB -0.724 27.049 27.740 0.053 0.000 2.029 154 C HN 0.802 nan 8.230 nan 0.000 0.448 155 N N 3.657 122.447 118.700 0.149 0.000 2.735 155 N HA -0.185 4.563 4.740 0.013 0.000 0.248 155 N C 0.956 176.534 175.510 0.112 0.000 1.083 155 N CA 2.014 55.127 53.050 0.104 0.000 0.703 155 N CB -1.374 37.182 38.487 0.115 0.000 1.005 155 N HN 1.806 nan 8.380 nan 0.000 0.550 156 G N -1.218 107.643 108.800 0.102 0.000 2.253 156 G HA2 -0.372 3.596 3.960 0.013 0.000 0.251 156 G HA3 -0.372 3.596 3.960 0.013 0.000 0.251 156 G C 0.140 175.200 174.900 0.266 0.000 0.998 156 G CA 0.591 45.746 45.100 0.092 0.000 0.621 156 G HN 0.560 nan 8.290 nan 0.000 0.524 157 R N -0.781 119.939 120.500 0.367 0.000 2.368 157 R HA 0.455 4.803 4.340 0.013 0.000 0.302 157 R C -0.134 176.499 176.300 0.555 0.000 1.002 157 R CA -0.782 55.608 56.100 0.483 0.000 0.929 157 R CB 0.978 31.578 30.300 0.501 0.000 1.073 157 R HN 0.232 nan 8.270 nan 0.000 0.464 158 W N 3.456 124.953 121.300 0.329 0.000 2.253 158 W HA 0.099 4.767 4.660 0.013 0.000 0.322 158 W C 0.066 176.512 176.519 -0.121 0.000 1.342 158 W CA -0.029 57.241 57.345 -0.125 0.000 1.218 158 W CB 0.651 30.031 29.460 -0.133 0.000 1.205 158 W HN 0.332 nan 8.180 nan 0.000 0.551 159 V N 5.139 124.372 119.914 -1.135 0.000 2.602 159 V HA 0.545 4.673 4.120 0.013 0.000 0.235 159 V C 1.018 176.182 176.094 -1.551 0.000 1.087 159 V CA 1.057 62.637 62.300 -1.199 0.000 1.117 159 V CB -0.497 30.629 31.823 -1.162 0.000 0.820 159 V HN 0.757 nan 8.190 nan 0.000 0.490 160 G N -1.935 105.733 108.800 -1.887 0.000 2.619 160 G HA2 0.530 4.498 3.960 0.013 0.000 0.305 160 G HA3 0.530 4.498 3.960 0.013 0.000 0.305 160 G C -2.444 171.890 174.900 -0.942 0.000 1.330 160 G CA -0.339 43.892 45.100 -1.449 0.000 0.789 160 G HN 0.043 nan 8.290 nan 0.000 0.487 161 Y N -0.605 119.389 120.300 -0.510 0.000 2.534 161 Y HA 0.714 5.272 4.550 0.013 0.000 0.345 161 Y C -0.101 175.590 175.900 -0.349 0.000 1.031 161 Y CA -0.160 57.620 58.100 -0.533 0.000 1.022 161 Y CB 2.295 40.598 38.460 -0.262 0.000 1.292 161 Y HN 1.152 nan 8.280 nan 0.000 0.459 162 G N 3.865 111.861 108.800 -1.340 0.000 2.720 162 G HA2 0.555 4.523 3.960 0.013 0.000 0.295 162 G HA3 0.555 4.523 3.960 0.013 0.000 0.295 162 G C -2.117 172.387 174.900 -0.661 0.000 1.437 162 G CA -0.872 43.781 45.100 -0.744 0.000 0.886 162 G HN 0.647 nan 8.290 nan 0.000 0.509 163 Q N -0.402 119.225 119.800 -0.287 0.000 2.873 163 Q HA 0.605 4.953 4.340 0.013 0.000 0.297 163 Q C -1.276 174.731 176.000 0.011 0.000 1.064 163 Q CA -0.818 54.925 55.803 -0.101 0.000 0.816 163 Q CB 2.368 31.090 28.738 -0.026 0.000 1.481 163 Q HN 0.658 nan 8.270 nan 0.000 0.488 164 D N -0.341 120.098 120.400 0.065 0.000 4.531 164 D HA -0.099 4.548 4.640 0.013 0.000 0.229 164 D C -0.516 175.842 176.300 0.097 0.000 1.248 164 D CA 0.505 54.556 54.000 0.086 0.000 1.039 164 D CB -0.507 40.328 40.800 0.058 0.000 0.609 164 D HN 0.528 nan 8.370 nan 0.000 0.283 165 S N 3.524 119.295 115.700 0.119 0.000 2.507 165 S HA -0.056 4.422 4.470 0.013 0.000 0.235 165 S C 1.547 176.275 174.600 0.214 0.000 0.988 165 S CA 0.530 58.828 58.200 0.164 0.000 0.944 165 S CB 0.250 63.516 63.200 0.109 0.000 0.762 165 S HN 0.476 nan 8.310 nan 0.000 0.526 166 R N 0.192 120.775 120.500 0.139 0.000 2.472 166 R HA 0.425 4.773 4.340 0.013 0.000 0.279 166 R C -0.317 176.030 176.300 0.078 0.000 0.953 166 R CA 0.054 56.231 56.100 0.129 0.000 1.088 166 R CB 0.130 30.528 30.300 0.163 0.000 1.197 166 R HN 0.329 nan 8.270 nan 0.000 0.536 167 L N 2.204 123.447 121.223 0.034 0.000 2.370 167 L HA 0.490 4.838 4.340 0.013 0.000 0.266 167 L C -2.302 174.537 176.870 -0.051 0.000 1.002 167 L CA -2.267 52.565 54.840 -0.013 0.000 0.818 167 L CB 2.956 45.005 42.059 -0.016 0.000 1.325 167 L HN -0.210 nan 8.230 nan 0.000 0.418 168 P HA 0.065 nan 4.420 nan 0.000 0.268 168 P C -0.931 176.328 177.300 -0.068 0.000 1.205 168 P CA -0.172 62.875 63.100 -0.088 0.000 0.771 168 P CB 1.132 32.746 31.700 -0.143 0.000 0.858 169 S N 1.989 117.708 115.700 0.031 0.000 2.498 169 S HA 0.303 4.781 4.470 0.013 0.000 0.317 169 S C -0.375 174.198 174.600 -0.044 0.000 1.090 169 S CA -0.553 57.638 58.200 -0.016 0.000 1.089 169 S CB 0.888 64.237 63.200 0.248 0.000 0.997 169 S HN 0.386 nan 8.310 nan 0.000 0.470 170 E N 1.872 121.853 120.200 -0.364 0.000 2.195 170 E HA 0.609 4.967 4.350 0.013 0.000 0.271 170 E C -1.391 174.825 176.600 -0.640 0.000 0.923 170 E CA -0.554 55.691 56.400 -0.259 0.000 0.790 170 E CB 1.539 31.183 29.700 -0.093 0.000 1.155 170 E HN 0.423 nan 8.360 nan 0.000 0.402 171 F N 0.610 120.608 119.950 0.080 0.000 2.578 171 F HA 0.202 4.737 4.527 0.014 0.000 0.311 171 F C -0.063 175.755 175.800 0.030 0.000 1.094 171 F CA -1.100 56.910 58.000 0.017 0.000 0.923 171 F CB 1.570 40.542 39.000 -0.047 0.000 1.230 171 F HN 0.267 nan 8.300 nan 0.000 0.450 172 D N 3.003 123.524 120.400 0.202 0.000 2.343 172 D HA 0.234 4.882 4.640 0.013 0.000 0.255 172 D C 0.289 176.733 176.300 0.240 0.000 1.187 172 D CA 0.279 54.386 54.000 0.179 0.000 0.875 172 D CB 1.057 41.948 40.800 0.151 0.000 1.136 172 D HN 0.588 nan 8.370 nan 0.000 0.469 173 L N 2.766 124.136 121.223 0.245 0.000 2.728 173 L HA 0.045 4.393 4.340 0.013 0.000 0.238 173 L C 2.134 179.249 176.870 0.408 0.000 1.143 173 L CA -0.215 54.824 54.840 0.331 0.000 0.937 173 L CB 0.127 42.338 42.059 0.253 0.000 1.225 173 L HN 0.251 nan 8.230 nan 0.000 0.507 174 S N 1.474 117.351 115.700 0.295 0.000 2.372 174 S HA -0.263 4.215 4.470 0.013 0.000 0.227 174 S C 2.064 176.770 174.600 0.177 0.000 1.044 174 S CA 1.860 60.188 58.200 0.213 0.000 1.050 174 S CB -0.136 63.145 63.200 0.134 0.000 0.901 174 S HN 0.563 nan 8.310 nan 0.000 0.447 175 A N -0.468 122.435 122.820 0.138 0.000 2.238 175 A HA 0.298 4.626 4.320 0.013 0.000 0.208 175 A C 1.353 178.806 177.584 -0.219 0.000 1.177 175 A CA 0.428 52.409 52.037 -0.093 0.000 0.804 175 A CB -0.443 18.401 19.000 -0.260 0.000 0.823 175 A HN 0.482 nan 8.150 nan 0.000 0.482 176 F N -0.582 119.416 119.950 0.080 0.000 2.653 176 F HA 0.337 4.872 4.527 0.013 0.000 0.288 176 F C 0.783 176.627 175.800 0.074 0.000 1.121 176 F CA -0.338 57.710 58.000 0.080 0.000 1.384 176 F CB -0.176 38.880 39.000 0.093 0.000 1.115 176 F HN -0.065 nan 8.300 nan 0.000 0.599 177 L N 2.320 123.708 121.223 0.276 0.000 2.461 177 L HA 0.258 4.606 4.340 0.013 0.000 0.272 177 L C 0.416 177.333 176.870 0.078 0.000 1.197 177 L CA -0.029 54.908 54.840 0.163 0.000 0.836 177 L CB 0.532 42.706 42.059 0.192 0.000 1.105 177 L HN 0.186 nan 8.230 nan 0.000 0.477 178 R N 2.084 122.589 120.500 0.009 0.000 2.888 178 R HA 0.833 5.181 4.340 0.013 0.000 0.264 178 R C -1.046 175.223 176.300 -0.051 0.000 1.045 178 R CA -0.953 55.139 56.100 -0.014 0.000 0.962 178 R CB 1.417 31.703 30.300 -0.023 0.000 1.210 178 R HN 0.514 nan 8.270 nan 0.000 0.479 179 A N 0.707 123.502 122.820 -0.042 0.000 2.425 179 A HA 0.574 4.902 4.320 0.013 0.000 0.249 179 A C 0.963 178.497 177.584 -0.084 0.000 1.084 179 A CA 0.701 52.704 52.037 -0.057 0.000 0.781 179 A CB -0.397 18.581 19.000 -0.037 0.000 1.019 179 A HN 1.329 nan 8.150 nan 0.000 0.490 180 G N 1.335 110.072 108.800 -0.105 0.000 2.545 180 G HA2 -0.159 3.809 3.960 0.013 0.000 0.240 180 G HA3 -0.159 3.809 3.960 0.013 0.000 0.240 180 G C -0.191 174.608 174.900 -0.170 0.000 1.172 180 G CA 0.168 45.200 45.100 -0.114 0.000 0.949 180 G HN 0.956 nan 8.290 nan 0.000 0.574 181 E N 1.671 121.778 120.200 -0.156 0.000 2.259 181 E HA 0.430 4.788 4.350 0.013 0.000 0.281 181 E C -0.199 176.250 176.600 -0.251 0.000 1.027 181 E CA -0.414 55.865 56.400 -0.202 0.000 0.838 181 E CB 0.699 30.323 29.700 -0.127 0.000 1.066 181 E HN 0.400 nan 8.360 nan 0.000 0.401 182 N N 2.358 120.794 118.700 -0.441 0.000 2.328 182 N HA 0.422 5.170 4.740 0.013 0.000 0.299 182 N C -0.888 174.480 175.510 -0.236 0.000 1.179 182 N CA -0.659 52.126 53.050 -0.441 0.000 0.793 182 N CB 2.309 40.273 38.487 -0.871 0.000 1.366 182 N HN 0.311 nan 8.380 nan 0.000 0.493 183 R N 1.473 121.978 120.500 0.008 0.000 2.538 183 R HA 0.461 4.809 4.340 0.013 0.000 0.292 183 R C -1.335 175.073 176.300 0.181 0.000 1.008 183 R CA -0.506 55.662 56.100 0.115 0.000 0.896 183 R CB 1.033 31.333 30.300 0.000 0.000 1.187 183 R HN 0.467 nan 8.270 nan 0.000 0.440 184 L N 3.205 124.547 121.223 0.197 0.000 2.325 184 L HA 0.718 5.066 4.340 0.013 0.000 0.279 184 L C -0.213 176.724 176.870 0.112 0.000 1.054 184 L CA -0.874 54.066 54.840 0.167 0.000 0.804 184 L CB 1.913 44.040 42.059 0.113 0.000 1.200 184 L HN 0.753 nan 8.230 nan 0.000 0.436 185 A N 3.543 126.444 122.820 0.135 0.000 2.332 185 A HA 0.719 5.047 4.320 0.013 0.000 0.300 185 A C -0.916 176.957 177.584 0.481 0.000 1.153 185 A CA -0.446 51.570 52.037 -0.036 0.000 0.764 185 A CB 1.262 19.904 19.000 -0.597 0.000 1.174 185 A HN 0.388 nan 8.150 nan 0.000 0.467 186 V N 3.598 123.956 119.914 0.739 0.000 2.407 186 V HA 0.441 4.569 4.120 0.013 0.000 0.291 186 V C -0.038 176.625 176.094 0.948 0.000 1.018 186 V CA -0.289 62.470 62.300 0.764 0.000 0.842 186 V CB 1.419 33.528 31.823 0.476 0.000 0.996 186 V HN 0.960 nan 8.190 nan 0.000 0.426 187 M N 6.214 126.378 119.600 0.939 0.000 2.055 187 M HA 0.532 5.020 4.480 0.013 0.000 0.347 187 M C -1.342 175.225 176.300 0.445 0.000 1.123 187 M CA -0.331 55.336 55.300 0.611 0.000 1.035 187 M CB 0.996 33.989 32.600 0.655 0.000 1.484 187 M HN 0.469 nan 8.290 nan 0.000 0.428 188 V N 6.704 126.848 119.914 0.384 0.000 2.407 188 V HA 0.374 4.502 4.120 0.013 0.000 0.278 188 V C -0.071 176.186 176.094 0.272 0.000 1.037 188 V CA -0.602 61.912 62.300 0.356 0.000 0.900 188 V CB 1.379 33.478 31.823 0.459 0.000 0.983 188 V HN 0.792 nan 8.190 nan 0.000 0.459 189 L N 5.005 126.321 121.223 0.155 0.000 2.282 189 L HA 0.524 4.872 4.340 0.013 0.000 0.288 189 L C 1.489 178.370 176.870 0.019 0.000 1.033 189 L CA -0.398 54.455 54.840 0.022 0.000 0.807 189 L CB 1.361 43.335 42.059 -0.141 0.000 1.209 189 L HN 0.619 nan 8.230 nan 0.000 0.423 190 R N 2.789 123.246 120.500 -0.071 0.000 2.081 190 R HA -0.053 4.294 4.340 0.013 0.000 0.235 190 R C -0.368 175.613 176.300 -0.533 0.000 1.131 190 R CA 1.371 57.196 56.100 -0.459 0.000 0.960 190 R CB 0.219 30.077 30.300 -0.738 0.000 0.856 190 R HN 0.564 nan 8.270 nan 0.000 0.436 191 W N -0.053 121.308 121.300 0.103 0.000 2.627 191 W HA 0.430 5.098 4.660 0.013 0.000 0.339 191 W C -0.325 176.297 176.519 0.172 0.000 1.058 191 W CA -0.826 56.585 57.345 0.109 0.000 1.223 191 W CB 1.749 31.274 29.460 0.109 0.000 1.389 191 W HN 0.006 nan 8.180 nan 0.000 0.541 192 S N -1.214 114.771 115.700 0.474 0.000 2.636 192 S HA 0.170 4.648 4.470 0.013 0.000 0.268 192 S C -0.009 174.844 174.600 0.422 0.000 1.159 192 S CA -0.470 58.016 58.200 0.477 0.000 0.815 192 S CB 1.053 64.509 63.200 0.428 0.000 1.130 192 S HN 0.647 nan 8.310 nan 0.000 0.471 193 D N 0.429 121.088 120.400 0.431 0.000 2.309 193 D HA 0.066 4.714 4.640 0.013 0.000 0.212 193 D C 1.708 178.331 176.300 0.538 0.000 0.968 193 D CA 1.186 55.491 54.000 0.509 0.000 0.882 193 D CB -0.623 40.335 40.800 0.262 0.000 0.918 193 D HN 0.719 nan 8.370 nan 0.000 0.503 194 G N 0.013 109.043 108.800 0.382 0.000 2.471 194 G HA2 -0.214 3.754 3.960 0.013 0.000 0.219 194 G HA3 -0.214 3.754 3.960 0.013 0.000 0.219 194 G C 1.662 176.749 174.900 0.312 0.000 1.125 194 G CA 0.526 45.824 45.100 0.330 0.000 0.775 194 G HN 0.294 nan 8.290 nan 0.000 0.548 195 S N -0.008 115.859 115.700 0.278 0.000 2.423 195 S HA -0.078 4.400 4.470 0.013 0.000 0.231 195 S C 1.878 176.556 174.600 0.129 0.000 1.014 195 S CA 0.581 58.903 58.200 0.204 0.000 0.965 195 S CB -0.360 62.956 63.200 0.193 0.000 0.785 195 S HN 0.501 nan 8.310 nan 0.000 0.495 196 Y N 1.227 121.636 120.300 0.182 0.000 2.497 196 Y HA 0.099 4.657 4.550 0.013 0.000 0.292 196 Y C 1.565 177.550 175.900 0.143 0.000 1.137 196 Y CA 0.597 58.709 58.100 0.020 0.000 1.285 196 Y CB -0.262 38.079 38.460 -0.199 0.000 0.991 196 Y HN 0.208 nan 8.280 nan 0.000 0.556 197 L N -0.323 121.089 121.223 0.315 0.000 2.728 197 L HA 0.158 4.506 4.340 0.013 0.000 0.238 197 L C -0.064 176.952 176.870 0.244 0.000 1.143 197 L CA 0.333 55.323 54.840 0.251 0.000 0.937 197 L CB 0.109 42.323 42.059 0.258 0.000 1.225 197 L HN 0.118 nan 8.230 nan 0.000 0.507 198 E N -0.075 120.282 120.200 0.262 0.000 3.896 198 E HA 0.062 4.420 4.350 0.013 0.000 0.217 198 E C -0.623 176.104 176.600 0.212 0.000 1.150 198 E CA -0.067 56.474 56.400 0.236 0.000 1.338 198 E CB 0.548 30.376 29.700 0.214 0.000 1.242 198 E HN 0.009 nan 8.360 nan 0.000 0.435 199 D N 1.367 121.860 120.400 0.154 0.000 2.889 199 D HA 0.038 4.686 4.640 0.013 0.000 0.243 199 D C -0.247 176.066 176.300 0.021 0.000 1.270 199 D CA -0.184 53.806 54.000 -0.015 0.000 0.838 199 D CB 0.160 40.732 40.800 -0.380 0.000 1.040 199 D HN 0.048 nan 8.370 nan 0.000 0.480 200 Q N 0.432 120.327 119.800 0.159 0.000 2.392 200 Q HA 0.130 4.478 4.340 0.013 0.000 0.262 200 Q C -0.126 175.999 176.000 0.209 0.000 1.003 200 Q CA 0.077 56.036 55.803 0.261 0.000 0.888 200 Q CB 0.645 29.688 28.738 0.508 0.000 1.260 200 Q HN 0.092 nan 8.270 nan 0.000 0.435 201 D N 3.017 123.568 120.400 0.252 0.000 2.498 201 D HA 0.196 4.844 4.640 0.013 0.000 0.229 201 D C -0.827 175.623 176.300 0.251 0.000 1.188 201 D CA 0.061 54.188 54.000 0.211 0.000 1.028 201 D CB -0.436 40.486 40.800 0.205 0.000 1.087 201 D HN 0.497 nan 8.370 nan 0.000 0.510 202 M N 0.035 119.741 119.600 0.177 0.000 3.084 202 M HA 0.425 4.913 4.480 0.013 0.000 0.273 202 M C -1.267 175.113 176.300 0.133 0.000 1.242 202 M CA -1.187 54.140 55.300 0.045 0.000 0.819 202 M CB 1.088 33.611 32.600 -0.127 0.000 1.625 202 M HN -0.107 nan 8.290 nan 0.000 0.493 203 W N 1.938 123.306 121.300 0.112 0.000 2.223 203 W HA 0.320 4.988 4.660 0.013 0.000 0.334 203 W C 0.206 176.741 176.519 0.026 0.000 1.334 203 W CA -0.011 57.398 57.345 0.106 0.000 1.246 203 W CB 0.369 29.831 29.460 0.002 0.000 1.184 203 W HN 0.280 nan 8.180 nan 0.000 0.563 204 R N 4.823 125.500 120.500 0.295 0.000 2.204 204 R HA 0.425 4.773 4.340 0.013 0.000 0.341 204 R C -0.170 176.147 176.300 0.027 0.000 1.035 204 R CA -0.269 55.931 56.100 0.165 0.000 0.887 204 R CB 0.221 30.694 30.300 0.289 0.000 1.114 204 R HN 0.568 nan 8.270 nan 0.000 0.473 205 M N 0.213 119.716 119.600 -0.161 0.000 2.739 205 M HA 0.540 5.028 4.480 0.013 0.000 0.284 205 M C -0.041 175.920 176.300 -0.564 0.000 1.103 205 M CA -0.805 54.279 55.300 -0.362 0.000 0.809 205 M CB 2.100 34.477 32.600 -0.372 0.000 1.708 205 M HN 0.638 nan 8.290 nan 0.000 0.481 206 S N -1.352 113.877 115.700 -0.784 0.000 2.615 206 S HA 0.901 5.379 4.470 0.013 0.000 0.268 206 S C -0.627 173.436 174.600 -0.894 0.000 1.146 206 S CA -0.234 57.436 58.200 -0.883 0.000 0.818 206 S CB 1.480 64.036 63.200 -1.074 0.000 1.111 206 S HN 1.545 nan 8.310 nan 0.000 0.465 207 G N 0.024 108.536 108.800 -0.480 0.000 2.331 207 G HA2 0.155 4.123 3.960 0.013 0.000 0.479 207 G HA3 0.155 4.123 3.960 0.013 0.000 0.479 207 G C -1.309 173.559 174.900 -0.053 0.000 1.262 207 G CA -0.564 44.516 45.100 -0.034 0.000 1.029 207 G HN 1.255 nan 8.290 nan 0.000 0.487 208 I N 2.156 122.569 120.570 -0.261 0.000 2.224 208 I HA 0.246 4.424 4.170 0.013 0.000 0.293 208 I C 1.219 177.212 176.117 -0.206 0.000 1.155 208 I CA -0.256 60.805 61.300 -0.398 0.000 1.297 208 I CB -0.241 37.285 38.000 -0.791 0.000 1.487 208 I HN 0.481 nan 8.210 nan 0.000 0.564 209 F N 3.267 123.060 119.950 -0.262 0.000 2.765 209 F HA 0.420 4.954 4.527 0.013 0.000 0.302 209 F C 0.667 176.378 175.800 -0.149 0.000 1.111 209 F CA -0.528 57.350 58.000 -0.202 0.000 1.359 209 F CB -0.239 38.645 39.000 -0.193 0.000 1.097 209 F HN 0.121 nan 8.300 nan 0.000 0.577 210 R N 0.317 120.420 120.500 -0.662 0.000 2.888 210 R HA 0.231 4.579 4.340 0.013 0.000 0.264 210 R C -0.616 175.478 176.300 -0.344 0.000 1.045 210 R CA -1.128 54.666 56.100 -0.511 0.000 0.962 210 R CB 0.966 30.843 30.300 -0.706 0.000 1.210 210 R HN -0.020 nan 8.270 nan 0.000 0.479 211 D N 0.863 121.111 120.400 -0.254 0.000 2.443 211 D HA 0.057 4.705 4.640 0.013 0.000 0.234 211 D C -0.440 175.726 176.300 -0.224 0.000 1.172 211 D CA 0.608 54.498 54.000 -0.182 0.000 0.878 211 D CB 0.730 41.463 40.800 -0.112 0.000 1.204 211 D HN -0.018 nan 8.370 nan 0.000 0.453 212 V N 1.063 120.862 119.914 -0.192 0.000 2.588 212 V HA 0.553 4.681 4.120 0.013 0.000 0.304 212 V C 0.095 176.088 176.094 -0.169 0.000 1.042 212 V CA -0.520 61.611 62.300 -0.281 0.000 0.877 212 V CB 1.755 33.440 31.823 -0.231 0.000 0.996 212 V HN 0.795 nan 8.190 nan 0.000 0.425 213 S N 4.565 120.141 115.700 -0.206 0.000 2.625 213 S HA 0.819 5.296 4.470 0.013 0.000 0.271 213 S C -1.468 173.094 174.600 -0.063 0.000 1.161 213 S CA -0.932 57.213 58.200 -0.092 0.000 0.820 213 S CB 1.762 64.937 63.200 -0.041 0.000 1.137 213 S HN 0.463 nan 8.310 nan 0.000 0.470 214 L N 1.262 122.513 121.223 0.047 0.000 2.346 214 L HA 0.708 5.056 4.340 0.013 0.000 0.276 214 L C -1.444 175.519 176.870 0.155 0.000 1.006 214 L CA -0.905 54.024 54.840 0.149 0.000 0.817 214 L CB 1.742 44.005 42.059 0.340 0.000 1.272 214 L HN 0.700 nan 8.230 nan 0.000 0.421 215 L N 3.299 124.555 121.223 0.055 0.000 2.376 215 L HA 0.432 4.780 4.340 0.013 0.000 0.275 215 L C -0.763 175.977 176.870 -0.216 0.000 0.987 215 L CA -0.096 54.713 54.840 -0.051 0.000 0.828 215 L CB 1.315 43.366 42.059 -0.012 0.000 1.249 215 L HN 0.492 nan 8.230 nan 0.000 0.409 216 H N 5.646 124.370 119.070 -0.576 0.000 2.556 216 H HA 0.458 5.022 4.556 0.013 0.000 0.310 216 H C -1.172 173.883 175.328 -0.455 0.000 1.057 216 H CA -0.558 55.022 56.048 -0.779 0.000 1.264 216 H CB 0.983 29.694 29.762 -1.751 0.000 1.404 216 H HN 0.567 nan 8.280 nan 0.000 0.462 217 K N 5.332 125.309 120.400 -0.706 0.000 2.281 217 K HA 0.389 4.716 4.320 0.013 0.000 0.242 217 K C -2.740 173.560 176.600 -0.500 0.000 0.971 217 K CA -2.011 53.996 56.287 -0.467 0.000 0.834 217 K CB 1.979 34.286 32.500 -0.322 0.000 1.181 217 K HN 0.461 nan 8.250 nan 0.000 0.435 218 P HA 0.140 nan 4.420 nan 0.000 0.274 218 P C 0.458 177.656 177.300 -0.170 0.000 1.237 218 P CA -0.139 62.847 63.100 -0.190 0.000 0.793 218 P CB 0.516 32.158 31.700 -0.098 0.000 0.977 219 T N -0.955 113.530 114.554 -0.115 0.000 2.746 219 T HA -0.061 4.297 4.350 0.013 0.000 0.267 219 T C 0.654 175.302 174.700 -0.087 0.000 1.039 219 T CA 1.581 63.627 62.100 -0.091 0.000 1.142 219 T CB -0.584 68.252 68.868 -0.053 0.000 0.866 219 T HN 0.414 nan 8.240 nan 0.000 0.444 220 T N 3.743 118.253 114.554 -0.073 0.000 2.727 220 T HA 0.418 4.775 4.350 0.013 0.000 0.298 220 T C -0.148 174.501 174.700 -0.084 0.000 0.942 220 T CA -0.579 61.474 62.100 -0.079 0.000 0.997 220 T CB 0.519 69.360 68.868 -0.045 0.000 0.917 220 T HN 0.472 nan 8.240 nan 0.000 0.487 221 Q N 2.824 122.559 119.800 -0.108 0.000 2.615 221 Q HA 0.595 4.943 4.340 0.013 0.000 0.298 221 Q C -1.248 174.686 176.000 -0.110 0.000 1.023 221 Q CA -1.146 54.584 55.803 -0.123 0.000 0.768 221 Q CB 1.379 30.014 28.738 -0.172 0.000 1.500 221 Q HN 0.458 nan 8.270 nan 0.000 0.441 222 I N 2.684 123.162 120.570 -0.153 0.000 2.337 222 I HA 0.056 4.234 4.170 0.013 0.000 0.291 222 I C 0.652 176.656 176.117 -0.189 0.000 1.046 222 I CA -0.136 61.094 61.300 -0.117 0.000 1.324 222 I CB 1.203 39.104 38.000 -0.165 0.000 1.409 222 I HN 0.844 nan 8.210 nan 0.000 0.494 223 S N 2.638 118.334 115.700 -0.006 0.000 2.517 223 S HA 0.201 4.679 4.470 0.013 0.000 0.214 223 S C 0.104 174.894 174.600 0.317 0.000 0.991 223 S CA -0.268 57.990 58.200 0.096 0.000 0.906 223 S CB 0.187 63.413 63.200 0.044 0.000 0.789 223 S HN 0.724 nan 8.310 nan 0.000 0.513 224 D N -0.344 120.256 120.400 0.333 0.000 2.766 224 D HA 0.489 5.137 4.640 0.013 0.000 0.244 224 D C -1.954 174.524 176.300 0.297 0.000 1.198 224 D CA -0.690 53.505 54.000 0.324 0.000 0.739 224 D CB 1.228 42.112 40.800 0.141 0.000 1.379 224 D HN 0.181 nan 8.370 nan 0.000 0.437 225 F N -0.383 119.646 119.950 0.131 0.000 2.635 225 F HA 0.587 5.122 4.527 0.013 0.000 0.314 225 F C -1.633 174.273 175.800 0.176 0.000 1.119 225 F CA -0.738 57.279 58.000 0.027 0.000 1.000 225 F CB 1.080 40.132 39.000 0.087 0.000 1.278 225 F HN 0.280 nan 8.300 nan 0.000 0.446 226 H N 2.138 121.300 119.070 0.154 0.000 2.538 226 H HA 0.771 5.335 4.556 0.013 0.000 0.353 226 H C -1.255 174.131 175.328 0.096 0.000 1.109 226 H CA -1.556 54.518 56.048 0.043 0.000 1.192 226 H CB 2.656 32.413 29.762 -0.009 0.000 1.555 226 H HN 0.603 nan 8.280 nan 0.000 0.518 227 V N 2.271 122.292 119.914 0.179 0.000 2.448 227 V HA 0.655 4.783 4.120 0.013 0.000 0.295 227 V C -0.238 175.848 176.094 -0.014 0.000 1.025 227 V CA -0.562 61.785 62.300 0.078 0.000 0.859 227 V CB 1.251 33.115 31.823 0.069 0.000 0.988 227 V HN 0.934 nan 8.190 nan 0.000 0.431 228 A N 3.300 126.085 122.820 -0.058 0.000 2.454 228 A HA 0.967 5.295 4.320 0.013 0.000 0.302 228 A C -0.202 177.268 177.584 -0.190 0.000 1.079 228 A CA -0.524 51.457 52.037 -0.094 0.000 0.731 228 A CB 2.110 21.080 19.000 -0.049 0.000 1.299 228 A HN 0.934 nan 8.150 nan 0.000 0.413 229 T N -0.376 114.044 114.554 -0.224 0.000 2.890 229 T HA 0.685 5.043 4.350 0.013 0.000 0.295 229 T C -0.499 173.961 174.700 -0.400 0.000 0.993 229 T CA -0.816 61.043 62.100 -0.401 0.000 0.979 229 T CB 0.871 69.386 68.868 -0.588 0.000 0.967 229 T HN 0.969 nan 8.240 nan 0.000 0.441 230 R N 1.975 122.184 120.500 -0.484 0.000 2.778 230 R HA 0.854 5.202 4.340 0.013 0.000 0.277 230 R C -1.502 174.443 176.300 -0.591 0.000 0.977 230 R CA -0.919 54.988 56.100 -0.321 0.000 0.950 230 R CB 1.191 31.416 30.300 -0.126 0.000 1.165 230 R HN 0.453 nan 8.270 nan 0.000 0.474 231 F N 0.079 119.969 119.950 -0.099 0.000 2.654 231 F HA 0.388 4.922 4.527 0.012 0.000 0.334 231 F C 0.288 175.928 175.800 -0.268 0.000 1.078 231 F CA -1.219 56.662 58.000 -0.199 0.000 0.986 231 F CB 0.912 39.664 39.000 -0.413 0.000 1.362 231 F HN 0.655 nan 8.300 nan 0.000 0.498 232 N N -0.147 118.523 118.700 -0.050 0.000 2.447 232 N HA 0.099 4.847 4.740 0.013 0.000 0.271 232 N C 0.357 175.751 175.510 -0.194 0.000 1.226 232 N CA -0.188 52.809 53.050 -0.087 0.000 0.980 232 N CB 0.225 38.694 38.487 -0.029 0.000 1.206 232 N HN 0.661 nan 8.380 nan 0.000 0.558 233 D N -0.759 119.578 120.400 -0.106 0.000 2.170 233 D HA -0.287 4.361 4.640 0.013 0.000 0.193 233 D C 0.521 176.803 176.300 -0.030 0.000 1.004 233 D CA 1.927 55.881 54.000 -0.078 0.000 0.860 233 D CB -0.538 40.258 40.800 -0.007 0.000 0.931 233 D HN 0.768 nan 8.370 nan 0.000 0.448 234 D N -1.324 119.099 120.400 0.038 0.000 2.463 234 D HA -0.012 4.636 4.640 0.013 0.000 0.224 234 D C 0.057 176.568 176.300 0.352 0.000 1.174 234 D CA -0.890 53.235 54.000 0.208 0.000 0.829 234 D CB -0.902 39.985 40.800 0.145 0.000 0.993 234 D HN 0.217 nan 8.370 nan 0.000 0.497 235 F N 0.648 120.649 119.950 0.085 0.000 3.069 235 F HA -0.296 4.238 4.527 0.012 0.000 0.285 235 F C 1.750 177.633 175.800 0.138 0.000 0.827 235 F CA 0.893 58.967 58.000 0.123 0.000 1.108 235 F CB -2.601 36.367 39.000 -0.052 0.000 1.252 235 F HN 0.216 nan 8.300 nan 0.000 0.483 236 S N -1.176 114.648 115.700 0.206 0.000 2.562 236 S HA 0.218 4.696 4.470 0.013 0.000 0.221 236 S C 0.660 175.323 174.600 0.105 0.000 0.975 236 S CA 0.130 58.414 58.200 0.139 0.000 0.918 236 S CB 0.320 63.577 63.200 0.094 0.000 0.772 236 S HN 0.481 nan 8.310 nan 0.000 0.531 237 R N 0.066 120.636 120.500 0.116 0.000 2.604 237 R HA 0.771 5.119 4.340 0.013 0.000 0.281 237 R C -1.378 174.959 176.300 0.062 0.000 1.020 237 R CA -0.272 55.863 56.100 0.059 0.000 0.899 237 R CB 2.249 32.560 30.300 0.018 0.000 1.205 237 R HN 0.242 nan 8.270 nan 0.000 0.450 238 A N 1.746 124.553 122.820 -0.021 0.000 2.515 238 A HA 0.779 5.107 4.320 0.013 0.000 0.296 238 A C -1.324 176.181 177.584 -0.131 0.000 1.094 238 A CA -0.677 51.262 52.037 -0.164 0.000 0.718 238 A CB 2.095 20.981 19.000 -0.190 0.000 1.307 238 A HN 0.337 nan 8.150 nan 0.000 0.408 239 V N 1.658 121.456 119.914 -0.193 0.000 2.483 239 V HA 0.414 4.542 4.120 0.013 0.000 0.297 239 V C -0.566 175.444 176.094 -0.140 0.000 1.027 239 V CA -0.333 61.894 62.300 -0.121 0.000 0.855 239 V CB 1.434 33.191 31.823 -0.111 0.000 0.995 239 V HN 0.808 nan 8.190 nan 0.000 0.424 240 L N 4.547 125.724 121.223 -0.076 0.000 2.264 240 L HA 0.599 4.947 4.340 0.013 0.000 0.289 240 L C 0.021 176.837 176.870 -0.090 0.000 1.044 240 L CA -0.007 54.761 54.840 -0.120 0.000 0.807 240 L CB 1.032 43.047 42.059 -0.072 0.000 1.192 240 L HN 0.735 nan 8.230 nan 0.000 0.425 241 E N 4.203 124.346 120.200 -0.094 0.000 2.145 241 E HA 0.624 4.982 4.350 0.013 0.000 0.270 241 E C -1.285 175.299 176.600 -0.027 0.000 0.906 241 E CA -0.697 55.669 56.400 -0.055 0.000 0.761 241 E CB 1.701 31.370 29.700 -0.051 0.000 1.116 241 E HN 0.715 nan 8.360 nan 0.000 0.408 242 A N 4.573 127.385 122.820 -0.014 0.000 2.311 242 A HA 0.295 4.623 4.320 0.013 0.000 0.306 242 A C -0.683 176.905 177.584 0.007 0.000 1.189 242 A CA -0.652 51.399 52.037 0.023 0.000 0.791 242 A CB 1.077 20.089 19.000 0.019 0.000 1.172 242 A HN 0.705 nan 8.150 nan 0.000 0.481 243 E N 2.594 122.804 120.200 0.016 0.000 2.174 243 E HA 0.543 4.901 4.350 0.013 0.000 0.282 243 E C -1.323 175.246 176.600 -0.051 0.000 0.992 243 E CA -0.354 56.015 56.400 -0.052 0.000 0.803 243 E CB 1.167 30.799 29.700 -0.113 0.000 1.090 243 E HN 0.389 nan 8.360 nan 0.000 0.396 244 V N 4.530 124.425 119.914 -0.032 0.000 2.604 244 V HA 0.313 4.441 4.120 0.013 0.000 0.305 244 V C -0.439 175.706 176.094 0.086 0.000 1.043 244 V CA -0.791 61.534 62.300 0.041 0.000 0.888 244 V CB 1.740 33.569 31.823 0.009 0.000 0.995 244 V HN 0.750 nan 8.190 nan 0.000 0.429 245 Q N 3.696 123.558 119.800 0.104 0.000 2.342 245 Q HA 0.823 5.171 4.340 0.013 0.000 0.267 245 Q C -0.790 175.279 176.000 0.114 0.000 1.038 245 Q CA -0.826 55.035 55.803 0.097 0.000 0.832 245 Q CB 2.626 31.353 28.738 -0.018 0.000 1.323 245 Q HN 0.827 nan 8.270 nan 0.000 0.448 246 M N -0.774 118.836 119.600 0.017 0.000 2.690 246 M HA 0.786 5.274 4.480 0.013 0.000 0.302 246 M C -1.395 174.816 176.300 -0.149 0.000 1.234 246 M CA -0.553 54.680 55.300 -0.111 0.000 0.853 246 M CB 1.571 33.950 32.600 -0.369 0.000 1.748 246 M HN 0.513 nan 8.290 nan 0.000 0.469 247 C N 0.580 119.796 119.300 -0.140 0.000 2.802 247 C HA 1.035 5.503 4.460 0.013 0.000 0.307 247 C C 0.478 175.388 174.990 -0.133 0.000 1.222 247 C CA 0.530 59.480 59.018 -0.114 0.000 1.580 247 C CB 1.118 28.815 27.740 -0.071 0.000 2.119 247 C HN 1.448 nan 8.230 nan 0.000 0.479 248 G N 1.662 110.393 108.800 -0.116 0.000 2.373 248 G HA2 0.050 4.018 3.960 0.013 0.000 0.634 248 G HA3 0.050 4.018 3.960 0.013 0.000 0.634 248 G C -1.135 173.692 174.900 -0.123 0.000 1.267 248 G CA -0.554 44.482 45.100 -0.107 0.000 1.008 248 G HN 0.928 nan 8.290 nan 0.000 0.497 249 E N -0.265 119.872 120.200 -0.105 0.000 2.259 249 E HA 0.463 4.821 4.350 0.013 0.000 0.281 249 E C 0.325 176.826 176.600 -0.165 0.000 1.037 249 E CA -0.504 55.830 56.400 -0.111 0.000 0.854 249 E CB 0.412 30.068 29.700 -0.072 0.000 1.051 249 E HN 0.448 nan 8.360 nan 0.000 0.409 250 L N 4.934 126.047 121.223 -0.184 0.000 2.380 250 L HA 0.335 4.683 4.340 0.013 0.000 0.273 250 L C 0.346 177.075 176.870 -0.235 0.000 1.138 250 L CA -0.241 54.460 54.840 -0.231 0.000 0.832 250 L CB 0.536 42.476 42.059 -0.198 0.000 1.124 250 L HN 0.428 nan 8.230 nan 0.000 0.454 251 R N 1.641 121.944 120.500 -0.328 0.000 2.673 251 R HA 0.207 4.555 4.340 0.013 0.000 0.281 251 R C -0.062 175.976 176.300 -0.438 0.000 0.991 251 R CA -0.767 55.026 56.100 -0.512 0.000 0.896 251 R CB 1.611 31.244 30.300 -1.111 0.000 1.201 251 R HN 0.537 nan 8.270 nan 0.000 0.457 252 D N 1.207 121.419 120.400 -0.314 0.000 2.263 252 D HA -0.153 4.495 4.640 0.013 0.000 0.208 252 D C 1.386 177.641 176.300 -0.075 0.000 0.971 252 D CA 1.543 55.462 54.000 -0.135 0.000 0.867 252 D CB 0.201 40.970 40.800 -0.053 0.000 0.929 252 D HN 0.567 nan 8.370 nan 0.000 0.492 253 Y N 0.047 120.363 120.300 0.025 0.000 2.546 253 Y HA 0.271 4.829 4.550 0.013 0.000 0.287 253 Y C 0.898 176.809 175.900 0.019 0.000 1.158 253 Y CA -0.561 57.551 58.100 0.021 0.000 1.307 253 Y CB -0.861 37.611 38.460 0.021 0.000 1.036 253 Y HN -0.199 nan 8.280 nan 0.000 0.532 254 L N 2.902 124.144 121.223 0.030 0.000 2.456 254 L HA 0.274 4.622 4.340 0.013 0.000 0.272 254 L C 0.239 177.138 176.870 0.050 0.000 1.189 254 L CA 0.108 55.027 54.840 0.132 0.000 0.846 254 L CB 0.455 42.599 42.059 0.141 0.000 1.111 254 L HN 0.207 nan 8.230 nan 0.000 0.475 255 R N 2.042 122.461 120.500 -0.135 0.000 2.764 255 R HA 0.693 5.041 4.340 0.013 0.000 0.270 255 R C -1.585 174.363 176.300 -0.587 0.000 1.014 255 R CA -0.800 55.054 56.100 -0.411 0.000 0.904 255 R CB 2.216 32.202 30.300 -0.522 0.000 1.236 255 R HN 0.270 nan 8.270 nan 0.000 0.466 256 V N 0.819 120.418 119.914 -0.525 0.000 2.638 256 V HA 0.478 4.606 4.120 0.013 0.000 0.306 256 V C -0.550 175.474 176.094 -0.117 0.000 1.052 256 V CA -0.553 61.545 62.300 -0.338 0.000 0.885 256 V CB 2.348 33.910 31.823 -0.434 0.000 0.999 256 V HN 0.734 nan 8.190 nan 0.000 0.424 257 T N 4.052 118.661 114.554 0.093 0.000 2.812 257 T HA 0.576 4.934 4.350 0.013 0.000 0.282 257 T C -0.652 174.071 174.700 0.039 0.000 0.990 257 T CA -0.348 61.827 62.100 0.125 0.000 0.960 257 T CB 1.614 70.618 68.868 0.226 0.000 0.948 257 T HN 0.332 nan 8.240 nan 0.000 0.438 258 V N 4.154 124.067 119.914 -0.001 0.000 2.384 258 V HA 0.651 4.779 4.120 0.013 0.000 0.287 258 V C 0.055 176.155 176.094 0.010 0.000 1.020 258 V CA -0.731 61.562 62.300 -0.010 0.000 0.850 258 V CB 1.579 33.380 31.823 -0.036 0.000 0.987 258 V HN 1.036 nan 8.190 nan 0.000 0.436 259 S N 5.388 121.125 115.700 0.063 0.000 2.513 259 S HA 0.824 5.302 4.470 0.013 0.000 0.299 259 S C -1.055 173.600 174.600 0.093 0.000 1.087 259 S CA -0.762 57.461 58.200 0.038 0.000 1.012 259 S CB 2.070 65.350 63.200 0.133 0.000 1.044 259 S HN 0.517 nan 8.310 nan 0.000 0.485 260 L N 2.783 123.965 121.223 -0.067 0.000 2.296 260 L HA 0.765 5.113 4.340 0.013 0.000 0.286 260 L C -1.852 174.991 176.870 -0.045 0.000 1.023 260 L CA -0.353 54.534 54.840 0.078 0.000 0.812 260 L CB 0.551 42.658 42.059 0.081 0.000 1.223 260 L HN 0.869 nan 8.230 nan 0.000 0.421 261 W N 3.761 125.162 121.300 0.168 0.000 2.736 261 W HA 0.562 5.230 4.660 0.013 0.000 0.335 261 W C -0.421 176.179 176.519 0.135 0.000 1.059 261 W CA -0.495 56.924 57.345 0.124 0.000 1.226 261 W CB 1.308 30.794 29.460 0.043 0.000 1.416 261 W HN 0.417 nan 8.180 nan 0.000 0.505 262 Q N 2.715 122.666 119.800 0.252 0.000 2.571 262 Q HA 0.471 4.819 4.340 0.013 0.000 0.243 262 Q C 0.684 176.725 176.000 0.069 0.000 1.055 262 Q CA 0.541 56.343 55.803 -0.001 0.000 0.815 262 Q CB 0.367 29.036 28.738 -0.116 0.000 1.151 262 Q HN 0.805 nan 8.270 nan 0.000 0.519 263 G N 2.833 111.681 108.800 0.081 0.000 2.514 263 G HA2 -0.339 3.629 3.960 0.013 0.000 0.265 263 G HA3 -0.339 3.629 3.960 0.013 0.000 0.265 263 G C 0.201 175.189 174.900 0.146 0.000 1.150 263 G CA 0.243 45.383 45.100 0.067 0.000 0.959 263 G HN 0.660 nan 8.290 nan 0.000 0.556 264 E N 0.876 121.157 120.200 0.136 0.000 2.437 264 E HA 0.252 4.610 4.350 0.013 0.000 0.189 264 E C 0.059 176.890 176.600 0.385 0.000 1.054 264 E CA 0.444 56.962 56.400 0.196 0.000 0.874 264 E CB 0.330 30.081 29.700 0.085 0.000 1.011 264 E HN 0.310 nan 8.360 nan 0.000 0.474 265 T N 1.361 116.110 114.554 0.325 0.000 2.758 265 T HA 0.117 4.475 4.350 0.013 0.000 0.285 265 T C -0.333 174.357 174.700 -0.017 0.000 0.981 265 T CA -0.494 61.703 62.100 0.162 0.000 0.965 265 T CB 1.569 70.469 68.868 0.053 0.000 0.927 265 T HN 0.054 nan 8.240 nan 0.000 0.448 266 Q N 3.188 122.681 119.800 -0.511 0.000 2.296 266 Q HA 0.258 4.606 4.340 0.013 0.000 0.263 266 Q C 1.047 176.765 176.000 -0.470 0.000 1.026 266 Q CA -0.471 54.674 55.803 -1.097 0.000 0.912 266 Q CB 0.719 28.559 28.738 -1.497 0.000 1.198 266 Q HN 0.692 nan 8.270 nan 0.000 0.407 267 V N 1.281 121.010 119.914 -0.307 0.000 2.825 267 V HA 0.504 4.632 4.120 0.013 0.000 0.246 267 V C 0.427 176.431 176.094 -0.150 0.000 1.068 267 V CA 0.820 63.038 62.300 -0.137 0.000 1.088 267 V CB -0.132 31.700 31.823 0.016 0.000 0.733 267 V HN 0.663 nan 8.190 nan 0.000 0.468 268 A N -0.917 121.787 122.820 -0.192 0.000 2.610 268 A HA 0.838 5.166 4.320 0.013 0.000 0.291 268 A C -0.648 176.834 177.584 -0.170 0.000 1.086 268 A CA 0.184 52.133 52.037 -0.147 0.000 0.677 268 A CB 1.725 20.671 19.000 -0.090 0.000 1.278 268 A HN 0.622 nan 8.150 nan 0.000 0.414 269 S N -1.172 114.455 115.700 -0.121 0.000 2.547 269 S HA 0.778 5.256 4.470 0.013 0.000 0.270 269 S C -0.709 173.854 174.600 -0.061 0.000 1.150 269 S CA 0.190 58.331 58.200 -0.097 0.000 0.850 269 S CB 1.709 64.838 63.200 -0.117 0.000 1.118 269 S HN 2.306 nan 8.310 nan 0.000 0.461 270 G N 1.686 110.461 108.800 -0.042 0.000 2.731 270 G HA2 0.616 4.584 3.960 0.013 0.000 0.298 270 G HA3 0.616 4.584 3.960 0.013 0.000 0.298 270 G C -1.348 173.538 174.900 -0.023 0.000 1.424 270 G CA -0.361 44.717 45.100 -0.036 0.000 1.029 270 G HN 0.694 nan 8.290 nan 0.000 0.518 271 T N 0.005 114.548 114.554 -0.018 0.000 2.900 271 T HA 0.890 5.248 4.350 0.013 0.000 0.295 271 T C -0.275 174.395 174.700 -0.049 0.000 1.044 271 T CA -0.012 62.085 62.100 -0.006 0.000 0.995 271 T CB 1.886 70.788 68.868 0.056 0.000 1.072 271 T HN 1.659 nan 8.240 nan 0.000 0.473 272 A N 3.211 125.968 122.820 -0.104 0.000 2.597 272 A HA 0.862 5.190 4.320 0.013 0.000 0.292 272 A C -3.131 174.330 177.584 -0.205 0.000 1.057 272 A CA -1.400 50.562 52.037 -0.125 0.000 0.674 272 A CB 1.120 20.048 19.000 -0.119 0.000 1.278 272 A HN 0.539 nan 8.150 nan 0.000 0.416 273 P HA 0.553 nan 4.420 nan 0.000 0.278 273 P C -0.622 176.569 177.300 -0.181 0.000 1.266 273 P CA -0.284 62.731 63.100 -0.142 0.000 0.807 273 P CB 0.430 32.106 31.700 -0.040 0.000 1.094 274 F N -0.205 119.707 119.950 -0.063 0.000 2.459 274 F HA 0.452 4.987 4.527 0.013 0.000 0.346 274 F C 1.479 177.261 175.800 -0.030 0.000 1.128 274 F CA 1.614 59.586 58.000 -0.047 0.000 1.268 274 F CB 0.093 39.059 39.000 -0.057 0.000 1.161 274 F HN 0.601 nan 8.300 nan 0.000 0.583 275 G N 1.777 110.697 108.800 0.200 0.000 2.781 275 G HA2 0.342 4.310 3.960 0.013 0.000 0.468 275 G HA3 0.342 4.310 3.960 0.013 0.000 0.468 275 G C -0.332 174.616 174.900 0.080 0.000 1.186 275 G CA -0.744 44.427 45.100 0.120 0.000 1.220 275 G HN 1.050 nan 8.290 nan 0.000 0.564 276 G N 0.678 109.544 108.800 0.110 0.000 2.621 276 G HA2 0.657 4.625 3.960 0.013 0.000 0.271 276 G HA3 0.657 4.625 3.960 0.013 0.000 0.271 276 G C 0.420 175.357 174.900 0.061 0.000 1.236 276 G CA -0.017 45.135 45.100 0.086 0.000 0.958 276 G HN 0.978 nan 8.290 nan 0.000 0.512 277 E N -0.691 119.537 120.200 0.047 0.000 2.409 277 E HA 0.252 4.610 4.350 0.013 0.000 0.257 277 E C 0.271 176.887 176.600 0.028 0.000 1.150 277 E CA -0.571 55.846 56.400 0.029 0.000 0.942 277 E CB 0.545 30.257 29.700 0.020 0.000 0.979 277 E HN 0.357 nan 8.360 nan 0.000 0.447 278 I N 1.708 122.284 120.570 0.009 0.000 2.752 278 I HA -0.120 4.058 4.170 0.013 0.000 0.289 278 I C 0.608 176.725 176.117 -0.000 0.000 1.197 278 I CA 0.188 61.485 61.300 -0.005 0.000 1.432 278 I CB 0.162 38.156 38.000 -0.010 0.000 1.359 278 I HN 0.492 nan 8.210 nan 0.000 0.571 279 I N 3.947 124.508 120.570 -0.015 0.000 3.445 279 I HA 0.083 4.261 4.170 0.013 0.000 0.288 279 I C 0.525 176.632 176.117 -0.017 0.000 1.198 279 I CA 0.914 62.212 61.300 -0.004 0.000 1.417 279 I CB -0.710 37.291 38.000 0.000 0.000 1.205 279 I HN 0.691 nan 8.210 nan 0.000 0.448 280 D N -1.408 118.969 120.400 -0.039 0.000 2.921 280 D HA 0.163 4.811 4.640 0.013 0.000 0.329 280 D C 0.424 176.703 176.300 -0.036 0.000 1.293 280 D CA -0.453 53.528 54.000 -0.033 0.000 0.964 280 D CB 0.555 41.333 40.800 -0.037 0.000 1.435 280 D HN -0.292 nan 8.370 nan 0.000 0.548 281 E N -0.958 119.224 120.200 -0.030 0.000 2.209 281 E HA -0.068 4.290 4.350 0.013 0.000 0.196 281 E C 1.233 177.811 176.600 -0.037 0.000 0.993 281 E CA 0.968 57.351 56.400 -0.028 0.000 0.819 281 E CB -0.033 29.654 29.700 -0.022 0.000 0.745 281 E HN 0.200 nan 8.360 nan 0.000 0.477 282 R N 0.001 120.470 120.500 -0.050 0.000 2.335 282 R HA 0.252 4.600 4.340 0.013 0.000 0.223 282 R C 0.812 177.066 176.300 -0.077 0.000 0.940 282 R CA 0.674 56.737 56.100 -0.061 0.000 1.086 282 R CB 0.087 30.344 30.300 -0.071 0.000 1.073 282 R HN 0.229 nan 8.270 nan 0.000 0.504 283 G N -0.550 108.208 108.800 -0.070 0.000 2.513 283 G HA2 -0.184 3.784 3.960 0.013 0.000 0.227 283 G HA3 -0.184 3.784 3.960 0.013 0.000 0.227 283 G C -0.026 174.816 174.900 -0.097 0.000 1.176 283 G CA -0.558 44.500 45.100 -0.070 0.000 0.967 283 G HN 0.550 nan 8.290 nan 0.000 0.587 284 G N -2.266 106.469 108.800 -0.108 0.000 2.975 284 G HA2 0.637 4.605 3.960 0.013 0.000 0.291 284 G HA3 0.637 4.605 3.960 0.013 0.000 0.291 284 G C -1.638 173.148 174.900 -0.190 0.000 1.334 284 G CA -0.555 44.469 45.100 -0.128 0.000 0.843 284 G HN 0.831 nan 8.290 nan 0.000 0.548 285 Y N 1.152 121.459 120.300 0.012 0.000 2.504 285 Y HA 0.449 5.007 4.550 0.013 0.000 0.351 285 Y C 1.402 177.321 175.900 0.031 0.000 0.988 285 Y CA 0.228 58.338 58.100 0.017 0.000 1.239 285 Y CB 1.638 40.112 38.460 0.024 0.000 1.128 285 Y HN 0.543 nan 8.280 nan 0.000 0.525 286 A N 1.853 124.748 122.820 0.125 0.000 2.119 286 A HA -0.102 4.226 4.320 0.013 0.000 0.216 286 A C 1.380 179.023 177.584 0.098 0.000 1.152 286 A CA 1.182 53.273 52.037 0.090 0.000 0.708 286 A CB -0.223 18.789 19.000 0.020 0.000 0.805 286 A HN 0.767 nan 8.150 nan 0.000 0.460 287 D N -0.723 119.738 120.400 0.101 0.000 2.358 287 D HA 0.129 4.777 4.640 0.013 0.000 0.224 287 D C 0.449 176.828 176.300 0.133 0.000 1.123 287 D CA -0.047 53.936 54.000 -0.029 0.000 0.833 287 D CB -0.009 40.754 40.800 -0.062 0.000 0.946 287 D HN 0.381 nan 8.370 nan 0.000 0.505 288 R N -0.893 119.796 120.500 0.315 0.000 2.799 288 R HA 0.743 5.091 4.340 0.013 0.000 0.270 288 R C -1.638 174.802 176.300 0.234 0.000 1.010 288 R CA -1.139 55.126 56.100 0.275 0.000 0.916 288 R CB 2.980 33.312 30.300 0.055 0.000 1.228 288 R HN -0.024 nan 8.270 nan 0.000 0.469 289 V N 0.215 120.161 119.914 0.052 0.000 3.077 289 V HA 0.490 4.618 4.120 0.013 0.000 0.299 289 V C -1.613 174.433 176.094 -0.080 0.000 1.276 289 V CA -0.274 61.981 62.300 -0.075 0.000 0.993 289 V CB 2.752 34.388 31.823 -0.312 0.000 1.076 289 V HN 0.809 nan 8.190 nan 0.000 0.434 290 T N 7.408 121.923 114.554 -0.065 0.000 2.815 290 T HA 0.584 4.942 4.350 0.013 0.000 0.289 290 T C -0.896 173.768 174.700 -0.060 0.000 1.000 290 T CA -0.391 61.677 62.100 -0.053 0.000 0.958 290 T CB 0.920 69.770 68.868 -0.029 0.000 0.944 290 T HN 0.456 nan 8.240 nan 0.000 0.442 291 L N 3.517 124.703 121.223 -0.062 0.000 2.325 291 L HA 0.604 4.952 4.340 0.013 0.000 0.279 291 L C 0.547 177.388 176.870 -0.047 0.000 1.054 291 L CA -0.438 54.366 54.840 -0.060 0.000 0.804 291 L CB 1.069 43.089 42.059 -0.064 0.000 1.200 291 L HN 0.530 nan 8.230 nan 0.000 0.436 292 R N 3.615 124.087 120.500 -0.046 0.000 2.476 292 R HA 0.697 5.045 4.340 0.013 0.000 0.305 292 R C -1.193 175.081 176.300 -0.045 0.000 0.965 292 R CA -0.689 55.383 56.100 -0.045 0.000 0.867 292 R CB 2.207 32.480 30.300 -0.044 0.000 1.176 292 R HN 0.476 nan 8.270 nan 0.000 0.447 293 L N 2.451 123.648 121.223 -0.044 0.000 2.346 293 L HA 0.471 4.819 4.340 0.013 0.000 0.276 293 L C -0.227 176.618 176.870 -0.041 0.000 1.006 293 L CA -0.893 53.922 54.840 -0.041 0.000 0.817 293 L CB 1.996 44.035 42.059 -0.034 0.000 1.272 293 L HN 0.545 nan 8.230 nan 0.000 0.421 294 N N 1.454 120.126 118.700 -0.047 0.000 2.472 294 N HA 0.455 5.203 4.740 0.013 0.000 0.277 294 N C -1.109 174.364 175.510 -0.062 0.000 1.081 294 N CA -0.463 52.556 53.050 -0.051 0.000 0.973 294 N CB 2.104 40.563 38.487 -0.046 0.000 1.105 294 N HN 0.214 nan 8.380 nan 0.000 0.470 295 V N 1.810 121.678 119.914 -0.077 0.000 2.419 295 V HA 0.171 4.299 4.120 0.013 0.000 0.287 295 V C -0.135 175.893 176.094 -0.110 0.000 1.017 295 V CA -0.745 61.476 62.300 -0.133 0.000 0.844 295 V CB 1.296 32.950 31.823 -0.281 0.000 1.011 295 V HN 0.681 nan 8.190 nan 0.000 0.429 296 E N 4.780 124.936 120.200 -0.073 0.000 2.313 296 E HA 0.199 4.557 4.350 0.013 0.000 0.276 296 E C 0.127 176.710 176.600 -0.028 0.000 1.031 296 E CA -0.328 56.051 56.400 -0.035 0.000 0.857 296 E CB 0.401 30.088 29.700 -0.022 0.000 1.040 296 E HN 0.695 nan 8.360 nan 0.000 0.408 297 N N 3.442 122.148 118.700 0.011 0.000 2.686 297 N HA -0.123 4.625 4.740 0.013 0.000 0.261 297 N C -2.373 173.144 175.510 0.013 0.000 1.001 297 N CA 0.623 53.693 53.050 0.035 0.000 0.764 297 N CB -1.006 37.500 38.487 0.032 0.000 0.898 297 N HN 0.504 nan 8.380 nan 0.000 0.544 298 P HA 0.043 nan 4.420 nan 0.000 0.271 298 P C -0.151 177.178 177.300 0.048 0.000 1.218 298 P CA 0.208 63.216 63.100 -0.154 0.000 0.780 298 P CB 0.849 32.243 31.700 -0.509 0.000 0.901 299 K N 2.661 123.167 120.400 0.177 0.000 2.316 299 K HA 0.300 4.628 4.320 0.013 0.000 0.289 299 K C 0.179 176.934 176.600 0.257 0.000 1.070 299 K CA -0.420 55.971 56.287 0.174 0.000 0.928 299 K CB 0.204 32.776 32.500 0.120 0.000 1.039 299 K HN 0.415 nan 8.250 nan 0.000 0.480 300 L N 2.715 124.016 121.223 0.131 0.000 2.371 300 L HA 0.270 4.618 4.340 0.013 0.000 0.272 300 L C 0.034 176.974 176.870 0.116 0.000 1.124 300 L CA -0.751 54.162 54.840 0.122 0.000 0.816 300 L CB 0.302 42.263 42.059 -0.162 0.000 1.129 300 L HN 0.616 nan 8.230 nan 0.000 0.448 301 W N 3.833 125.165 121.300 0.054 0.000 2.316 301 W HA 0.477 5.144 4.660 0.012 0.000 0.321 301 W C 0.113 176.606 176.519 -0.042 0.000 1.203 301 W CA 0.233 57.603 57.345 0.042 0.000 1.214 301 W CB 1.240 30.777 29.460 0.129 0.000 1.169 301 W HN 0.673 nan 8.180 nan 0.000 0.561 302 S N 2.793 117.963 115.700 -0.884 0.000 2.636 302 S HA 0.591 5.069 4.470 0.013 0.000 0.266 302 S C -0.047 173.811 174.600 -1.238 0.000 1.147 302 S CA -0.360 57.387 58.200 -0.754 0.000 0.815 302 S CB 0.904 63.979 63.200 -0.208 0.000 1.119 302 S HN 1.054 nan 8.310 nan 0.000 0.470 303 A N 0.284 122.567 122.820 -0.894 0.000 2.066 303 A HA 0.146 4.474 4.320 0.013 0.000 0.218 303 A C 1.711 179.006 177.584 -0.482 0.000 1.157 303 A CA 1.264 52.779 52.037 -0.871 0.000 0.670 303 A CB -0.869 17.495 19.000 -1.059 0.000 0.804 303 A HN 0.840 nan 8.150 nan 0.000 0.453 304 E N -0.701 119.341 120.200 -0.264 0.000 2.051 304 E HA 0.083 4.441 4.350 0.013 0.000 0.189 304 E C -0.230 176.236 176.600 -0.224 0.000 0.979 304 E CA 0.703 56.990 56.400 -0.187 0.000 0.803 304 E CB 0.058 29.766 29.700 0.013 0.000 0.761 304 E HN 0.564 nan 8.360 nan 0.000 0.451 305 I N 1.981 122.407 120.570 -0.242 0.000 2.542 305 I HA 0.152 4.330 4.170 0.013 0.000 0.278 305 I C -2.452 173.454 176.117 -0.351 0.000 1.069 305 I CA -1.860 59.311 61.300 -0.215 0.000 1.100 305 I CB 2.223 40.149 38.000 -0.124 0.000 1.204 305 I HN -0.184 nan 8.210 nan 0.000 0.470 306 P HA 0.042 nan 4.420 nan 0.000 0.231 306 P C -0.588 176.677 177.300 -0.059 0.000 1.756 306 P CA -0.200 62.564 63.100 -0.560 0.000 0.990 306 P CB -0.247 31.264 31.700 -0.315 0.000 1.973 307 N N 1.908 120.615 118.700 0.012 0.000 2.447 307 N HA 0.111 4.859 4.740 0.013 0.000 0.263 307 N C 0.113 175.860 175.510 0.395 0.000 1.226 307 N CA 0.497 53.643 53.050 0.160 0.000 0.906 307 N CB 0.716 39.289 38.487 0.144 0.000 1.060 307 N HN 0.352 nan 8.380 nan 0.000 0.468 308 L N 2.526 123.909 121.223 0.267 0.000 2.370 308 L HA 0.475 4.823 4.340 0.013 0.000 0.266 308 L C -0.863 176.143 176.870 0.226 0.000 1.002 308 L CA -0.863 54.182 54.840 0.341 0.000 0.818 308 L CB 1.319 43.539 42.059 0.269 0.000 1.325 308 L HN 0.379 nan 8.230 nan 0.000 0.418 309 Y N 0.413 120.865 120.300 0.254 0.000 2.621 309 Y HA 0.652 5.210 4.550 0.014 0.000 0.334 309 Y C -0.165 175.857 175.900 0.204 0.000 1.074 309 Y CA -0.871 57.377 58.100 0.247 0.000 1.149 309 Y CB 1.695 40.366 38.460 0.351 0.000 1.302 309 Y HN 0.379 nan 8.280 nan 0.000 0.501 310 R N 1.121 121.852 120.500 0.385 0.000 2.445 310 R HA 0.814 5.162 4.340 0.013 0.000 0.308 310 R C -1.608 174.874 176.300 0.304 0.000 0.961 310 R CA -0.584 55.674 56.100 0.262 0.000 0.862 310 R CB 1.057 31.448 30.300 0.153 0.000 1.144 310 R HN 0.743 nan 8.270 nan 0.000 0.447 311 A N 3.846 126.786 122.820 0.200 0.000 2.303 311 A HA 0.625 4.953 4.320 0.013 0.000 0.320 311 A C -1.129 176.500 177.584 0.076 0.000 1.192 311 A CA -0.666 51.467 52.037 0.160 0.000 0.821 311 A CB 1.337 20.397 19.000 0.100 0.000 1.188 311 A HN 0.484 nan 8.150 nan 0.000 0.492 312 V N 3.504 123.473 119.914 0.091 0.000 2.409 312 V HA 0.351 4.479 4.120 0.013 0.000 0.291 312 V C -0.347 175.716 176.094 -0.051 0.000 1.020 312 V CA -0.499 61.795 62.300 -0.009 0.000 0.848 312 V CB 1.585 33.414 31.823 0.009 0.000 0.990 312 V HN 0.621 nan 8.190 nan 0.000 0.430 313 V N 5.099 124.913 119.914 -0.166 0.000 2.333 313 V HA 0.390 4.518 4.120 0.013 0.000 0.274 313 V C 0.035 176.074 176.094 -0.092 0.000 1.028 313 V CA -0.518 61.665 62.300 -0.194 0.000 0.851 313 V CB 1.167 32.716 31.823 -0.457 0.000 1.000 313 V HN 0.914 nan 8.190 nan 0.000 0.456 314 E N 4.105 124.304 120.200 -0.001 0.000 2.133 314 E HA 0.438 4.796 4.350 0.013 0.000 0.274 314 E C -0.922 175.766 176.600 0.147 0.000 0.930 314 E CA -0.862 55.588 56.400 0.083 0.000 0.770 314 E CB 2.332 32.103 29.700 0.119 0.000 1.104 314 E HN 0.473 nan 8.360 nan 0.000 0.403 315 L N 5.024 126.309 121.223 0.104 0.000 2.255 315 L HA 0.325 4.673 4.340 0.013 0.000 0.289 315 L C -0.801 176.161 176.870 0.153 0.000 1.046 315 L CA 0.239 55.133 54.840 0.091 0.000 0.816 315 L CB -0.400 41.713 42.059 0.089 0.000 1.197 315 L HN 0.652 nan 8.230 nan 0.000 0.427 316 H N 0.717 119.829 119.070 0.069 0.000 3.199 316 H HA 0.887 5.451 4.556 0.013 0.000 0.292 316 H C -0.558 174.841 175.328 0.119 0.000 1.600 316 H CA -0.398 55.694 56.048 0.074 0.000 1.235 316 H CB 0.813 30.599 29.762 0.039 0.000 1.839 316 H HN 0.456 nan 8.280 nan 0.000 0.623 317 T N -2.845 111.851 114.554 0.237 0.000 2.949 317 T HA 0.587 4.945 4.350 0.013 0.000 0.287 317 T C 1.330 176.162 174.700 0.220 0.000 1.034 317 T CA -0.456 61.762 62.100 0.197 0.000 1.018 317 T CB 1.578 70.508 68.868 0.104 0.000 1.135 317 T HN 0.918 nan 8.240 nan 0.000 0.532 318 A N 0.975 123.895 122.820 0.167 0.000 1.940 318 A HA -0.088 4.240 4.320 0.013 0.000 0.219 318 A C 1.613 179.267 177.584 0.116 0.000 1.176 318 A CA 2.062 54.179 52.037 0.134 0.000 0.631 318 A CB -1.267 17.803 19.000 0.118 0.000 0.814 318 A HN 0.987 nan 8.150 nan 0.000 0.446 319 D N -2.364 118.085 120.400 0.082 0.000 2.328 319 D HA 0.361 5.009 4.640 0.013 0.000 0.226 319 D C 0.976 177.304 176.300 0.047 0.000 1.066 319 D CA 0.701 54.729 54.000 0.046 0.000 0.861 319 D CB -0.415 40.390 40.800 0.008 0.000 0.912 319 D HN 0.752 nan 8.370 nan 0.000 0.521 320 G N -0.415 108.443 108.800 0.096 0.000 2.165 320 G HA2 -0.224 3.744 3.960 0.013 0.000 0.226 320 G HA3 -0.224 3.744 3.960 0.013 0.000 0.226 320 G C 0.007 174.922 174.900 0.026 0.000 1.035 320 G CA -0.027 45.094 45.100 0.035 0.000 0.744 320 G HN 0.336 nan 8.290 nan 0.000 0.501 321 T N 1.036 115.636 114.554 0.077 0.000 2.743 321 T HA 0.516 4.874 4.350 0.013 0.000 0.292 321 T C 0.344 175.105 174.700 0.102 0.000 0.972 321 T CA -0.393 61.738 62.100 0.051 0.000 0.967 321 T CB 1.656 70.534 68.868 0.016 0.000 0.926 321 T HN 0.551 nan 8.240 nan 0.000 0.459 322 L N 4.883 126.147 121.223 0.069 0.000 2.416 322 L HA 0.373 4.721 4.340 0.013 0.000 0.272 322 L C 0.665 177.587 176.870 0.087 0.000 1.161 322 L CA 0.495 55.390 54.840 0.092 0.000 0.845 322 L CB 0.148 42.234 42.059 0.044 0.000 1.119 322 L HN 0.708 nan 8.230 nan 0.000 0.464 323 I N 1.916 122.547 120.570 0.101 0.000 3.300 323 I HA 0.250 4.428 4.170 0.013 0.000 0.279 323 I C 0.284 176.430 176.117 0.048 0.000 1.172 323 I CA 0.142 61.485 61.300 0.072 0.000 1.431 323 I CB 0.360 38.408 38.000 0.079 0.000 1.240 323 I HN 0.728 nan 8.210 nan 0.000 0.453 324 E N 0.621 120.852 120.200 0.051 0.000 2.388 324 E HA 0.626 4.984 4.350 0.013 0.000 0.281 324 E C -1.956 174.671 176.600 0.045 0.000 1.046 324 E CA -0.723 55.696 56.400 0.032 0.000 0.825 324 E CB 2.173 31.855 29.700 -0.031 0.000 1.243 324 E HN 0.054 nan 8.360 nan 0.000 0.438 325 A N 2.960 125.830 122.820 0.083 0.000 2.422 325 A HA 0.716 5.044 4.320 0.013 0.000 0.302 325 A C -1.056 176.646 177.584 0.198 0.000 1.041 325 A CA -0.683 51.410 52.037 0.093 0.000 0.708 325 A CB 1.732 20.778 19.000 0.077 0.000 1.257 325 A HN 0.521 nan 8.150 nan 0.000 0.414 326 E N -0.183 120.072 120.200 0.092 0.000 2.378 326 E HA 0.864 5.222 4.350 0.013 0.000 0.265 326 E C -0.424 176.227 176.600 0.085 0.000 0.932 326 E CA -0.470 56.050 56.400 0.199 0.000 0.795 326 E CB 2.421 32.143 29.700 0.037 0.000 1.296 326 E HN 1.212 nan 8.360 nan 0.000 0.438 327 A N -0.220 122.752 122.820 0.254 0.000 2.540 327 A HA 0.749 5.077 4.320 0.013 0.000 0.291 327 A C -1.269 176.503 177.584 0.313 0.000 1.083 327 A CA -0.265 51.845 52.037 0.122 0.000 0.650 327 A CB 0.753 19.750 19.000 -0.004 0.000 1.292 327 A HN 0.924 nan 8.150 nan 0.000 0.435 328 C N -0.785 118.651 119.300 0.226 0.000 3.312 328 C HA 0.763 5.231 4.460 0.013 0.000 0.332 328 C C -1.615 173.475 174.990 0.166 0.000 1.340 328 C CA -0.947 58.216 59.018 0.241 0.000 1.265 328 C CB 0.956 28.875 27.740 0.299 0.000 1.563 328 C HN 0.828 nan 8.230 nan 0.000 0.471 329 D N 1.108 121.595 120.400 0.145 0.000 2.304 329 D HA 0.538 5.186 4.640 0.013 0.000 0.250 329 D C -0.390 175.973 176.300 0.105 0.000 1.107 329 D CA 0.136 54.221 54.000 0.142 0.000 0.885 329 D CB 1.913 42.800 40.800 0.145 0.000 1.192 329 D HN 0.553 nan 8.370 nan 0.000 0.436 330 V N 1.344 121.347 119.914 0.148 0.000 2.448 330 V HA 0.602 4.730 4.120 0.013 0.000 0.295 330 V C 0.605 176.785 176.094 0.144 0.000 1.025 330 V CA -0.819 61.520 62.300 0.064 0.000 0.859 330 V CB 1.897 33.732 31.823 0.020 0.000 0.988 330 V HN 0.607 nan 8.190 nan 0.000 0.431 331 G N 3.502 112.283 108.800 -0.031 0.000 2.437 331 G HA2 0.588 4.556 3.960 0.013 0.000 0.315 331 G HA3 0.588 4.556 3.960 0.013 0.000 0.315 331 G C -0.887 174.095 174.900 0.137 0.000 1.210 331 G CA -0.380 44.774 45.100 0.090 0.000 0.943 331 G HN 0.450 nan 8.290 nan 0.000 0.471 332 F N 4.192 124.321 119.950 0.299 0.000 2.468 332 F HA 0.392 4.926 4.527 0.012 0.000 0.356 332 F C 1.176 177.223 175.800 0.412 0.000 1.167 332 F CA -0.178 58.056 58.000 0.390 0.000 1.135 332 F CB 0.521 39.753 39.000 0.386 0.000 1.197 332 F HN 0.432 nan 8.300 nan 0.000 0.569 333 R N 2.815 123.608 120.500 0.489 0.000 2.643 333 R HA 0.441 4.789 4.340 0.013 0.000 0.269 333 R C -1.755 174.696 176.300 0.253 0.000 1.037 333 R CA -0.790 55.449 56.100 0.232 0.000 0.894 333 R CB 1.688 32.167 30.300 0.299 0.000 1.238 333 R HN 0.564 nan 8.270 nan 0.000 0.459 334 E N 2.298 122.563 120.200 0.108 0.000 2.176 334 E HA 0.445 4.803 4.350 0.013 0.000 0.267 334 E C -1.274 175.410 176.600 0.140 0.000 0.893 334 E CA -0.898 55.637 56.400 0.225 0.000 0.761 334 E CB 2.099 31.991 29.700 0.320 0.000 1.133 334 E HN 0.405 nan 8.360 nan 0.000 0.409 335 V N 5.707 125.693 119.914 0.120 0.000 2.409 335 V HA 0.559 4.687 4.120 0.013 0.000 0.291 335 V C -0.263 175.874 176.094 0.072 0.000 1.020 335 V CA -0.624 61.718 62.300 0.070 0.000 0.848 335 V CB 1.133 32.977 31.823 0.034 0.000 0.990 335 V HN 0.736 nan 8.190 nan 0.000 0.430 336 R N 4.236 124.775 120.500 0.065 0.000 2.680 336 R HA 0.720 5.068 4.340 0.013 0.000 0.269 336 R C -1.981 174.346 176.300 0.046 0.000 1.026 336 R CA -0.923 55.215 56.100 0.063 0.000 0.889 336 R CB 1.862 32.211 30.300 0.081 0.000 1.241 336 R HN 0.497 nan 8.270 nan 0.000 0.463 337 I N 1.491 122.087 120.570 0.043 0.000 2.321 337 I HA 0.332 4.510 4.170 0.013 0.000 0.291 337 I C -0.470 175.669 176.117 0.036 0.000 0.998 337 I CA -0.328 60.992 61.300 0.032 0.000 1.227 337 I CB 1.705 39.726 38.000 0.035 0.000 1.368 337 I HN 0.683 nan 8.210 nan 0.000 0.466 338 E N 5.757 125.975 120.200 0.029 0.000 2.278 338 E HA 0.237 4.595 4.350 0.013 0.000 0.272 338 E C -0.391 176.221 176.600 0.021 0.000 0.890 338 E CA -0.592 55.826 56.400 0.030 0.000 0.770 338 E CB 1.070 30.794 29.700 0.039 0.000 1.212 338 E HN 0.556 nan 8.360 nan 0.000 0.415 339 N N 3.124 121.836 118.700 0.020 0.000 2.735 339 N HA -0.239 4.509 4.740 0.013 0.000 0.248 339 N C 0.449 175.964 175.510 0.009 0.000 1.083 339 N CA 1.992 55.050 53.050 0.014 0.000 0.703 339 N CB -1.107 37.387 38.487 0.012 0.000 1.005 339 N HN 0.943 nan 8.380 nan 0.000 0.550 340 G N -2.311 106.495 108.800 0.010 0.000 2.176 340 G HA2 -0.287 3.681 3.960 0.013 0.000 0.253 340 G HA3 -0.287 3.681 3.960 0.013 0.000 0.253 340 G C -0.063 174.832 174.900 -0.009 0.000 0.979 340 G CA 0.487 45.588 45.100 0.003 0.000 0.641 340 G HN 0.453 nan 8.290 nan 0.000 0.530 341 L N 0.252 121.470 121.223 -0.008 0.000 2.346 341 L HA 0.691 5.039 4.340 0.013 0.000 0.276 341 L C 0.182 177.041 176.870 -0.019 0.000 1.006 341 L CA -1.306 53.521 54.840 -0.022 0.000 0.817 341 L CB 1.820 43.866 42.059 -0.022 0.000 1.272 341 L HN 0.101 nan 8.230 nan 0.000 0.421 342 L N 4.721 125.921 121.223 -0.039 0.000 2.315 342 L HA 0.396 4.744 4.340 0.013 0.000 0.283 342 L C -0.749 176.098 176.870 -0.039 0.000 1.089 342 L CA 0.445 55.263 54.840 -0.036 0.000 0.833 342 L CB 0.223 42.246 42.059 -0.060 0.000 1.170 342 L HN 0.390 nan 8.230 nan 0.000 0.442 343 L N 5.842 127.060 121.223 -0.008 0.000 2.334 343 L HA 0.529 4.877 4.340 0.013 0.000 0.276 343 L C -0.824 176.057 176.870 0.019 0.000 1.014 343 L CA -0.885 53.960 54.840 0.008 0.000 0.815 343 L CB 1.847 43.932 42.059 0.044 0.000 1.268 343 L HN 0.518 nan 8.230 nan 0.000 0.428 344 L N 3.935 125.178 121.223 0.034 0.000 2.343 344 L HA 0.480 4.828 4.340 0.013 0.000 0.278 344 L C -0.110 176.787 176.870 0.045 0.000 0.996 344 L CA 0.049 54.923 54.840 0.056 0.000 0.831 344 L CB 0.898 43.005 42.059 0.080 0.000 1.232 344 L HN 0.567 nan 8.230 nan 0.000 0.413 345 N N 4.276 122.891 118.700 -0.142 0.000 2.716 345 N HA -0.223 4.525 4.740 0.013 0.000 0.250 345 N C 0.982 176.161 175.510 -0.551 0.000 1.033 345 N CA 1.331 53.974 53.050 -0.678 0.000 0.727 345 N CB -1.241 36.712 38.487 -0.890 0.000 0.950 345 N HN 1.208 nan 8.380 nan 0.000 0.541 346 G N -2.042 106.737 108.800 -0.034 0.000 2.179 346 G HA2 -0.351 3.617 3.960 0.013 0.000 0.260 346 G HA3 -0.351 3.617 3.960 0.013 0.000 0.260 346 G C -0.042 174.893 174.900 0.058 0.000 0.977 346 G CA 0.882 46.043 45.100 0.102 0.000 0.641 346 G HN 0.405 nan 8.290 nan 0.000 0.533 347 K N 0.931 121.364 120.400 0.055 0.000 2.207 347 K HA 0.508 4.836 4.320 0.013 0.000 0.255 347 K C -2.698 173.881 176.600 -0.035 0.000 0.941 347 K CA -2.242 54.042 56.287 -0.005 0.000 0.825 347 K CB 2.509 34.955 32.500 -0.091 0.000 1.119 347 K HN 0.101 nan 8.250 nan 0.000 0.430 348 P HA 0.171 nan 4.420 nan 0.000 0.276 348 P C -0.163 177.066 177.300 -0.119 0.000 1.264 348 P CA -0.196 62.856 63.100 -0.080 0.000 0.769 348 P CB 0.504 32.160 31.700 -0.073 0.000 0.840 349 L N 3.787 124.933 121.223 -0.127 0.000 2.464 349 L HA 0.245 4.593 4.340 0.013 0.000 0.264 349 L C 0.758 177.527 176.870 -0.168 0.000 1.199 349 L CA -0.527 54.220 54.840 -0.156 0.000 0.818 349 L CB 0.304 42.232 42.059 -0.220 0.000 1.102 349 L HN 0.292 nan 8.230 nan 0.000 0.473 350 L N 3.851 124.985 121.223 -0.149 0.000 2.442 350 L HA 0.440 4.788 4.340 0.013 0.000 0.261 350 L C -0.417 176.369 176.870 -0.140 0.000 1.000 350 L CA -0.060 54.671 54.840 -0.181 0.000 0.882 350 L CB 0.878 42.859 42.059 -0.129 0.000 1.207 350 L HN 0.310 nan 8.230 nan 0.000 0.443 351 I N 4.967 125.387 120.570 -0.251 0.000 2.494 351 I HA 0.157 4.335 4.170 0.013 0.000 0.289 351 I C 0.417 176.450 176.117 -0.140 0.000 1.106 351 I CA 0.234 61.395 61.300 -0.233 0.000 1.369 351 I CB 0.177 37.919 38.000 -0.430 0.000 1.410 351 I HN 0.507 nan 8.210 nan 0.000 0.523 352 R N 5.462 125.984 120.500 0.036 0.000 2.937 352 R HA 0.375 4.723 4.340 0.013 0.000 0.264 352 R C 0.308 176.685 176.300 0.129 0.000 1.334 352 R CA -0.341 55.834 56.100 0.125 0.000 1.516 352 R CB 0.913 31.125 30.300 -0.147 0.000 1.187 352 R HN 0.752 nan 8.270 nan 0.000 0.609 353 G N 0.049 108.888 108.800 0.066 0.000 2.597 353 G HA2 0.619 4.587 3.960 0.013 0.000 0.317 353 G HA3 0.619 4.587 3.960 0.013 0.000 0.317 353 G C -1.308 173.923 174.900 0.552 0.000 1.230 353 G CA -0.477 44.728 45.100 0.174 0.000 0.996 353 G HN 0.203 nan 8.290 nan 0.000 0.490 354 V N -0.272 119.970 119.914 0.545 0.000 3.048 354 V HA 0.471 4.599 4.120 0.013 0.000 0.303 354 V C -1.266 174.955 176.094 0.212 0.000 1.214 354 V CA -1.210 61.291 62.300 0.334 0.000 0.984 354 V CB 2.278 34.057 31.823 -0.073 0.000 1.054 354 V HN 0.750 nan 8.190 nan 0.000 0.430 355 N N 4.039 122.768 118.700 0.048 0.000 2.499 355 N HA 0.431 5.179 4.740 0.013 0.000 0.281 355 N C -0.731 174.552 175.510 -0.378 0.000 1.098 355 N CA -0.265 52.664 53.050 -0.203 0.000 0.979 355 N CB 1.461 39.775 38.487 -0.288 0.000 1.121 355 N HN 0.622 nan 8.380 nan 0.000 0.466 356 R N 2.330 122.583 120.500 -0.413 0.000 2.473 356 R HA 0.205 4.553 4.340 0.013 0.000 0.303 356 R C -0.898 175.143 176.300 -0.432 0.000 1.002 356 R CA -0.562 55.312 56.100 -0.378 0.000 0.884 356 R CB 0.635 30.698 30.300 -0.396 0.000 1.173 356 R HN 0.571 nan 8.270 nan 0.000 0.464 357 H N 2.149 121.037 119.070 -0.302 0.000 2.547 357 H HA 0.131 4.695 4.556 0.014 0.000 0.362 357 H C -0.461 174.837 175.328 -0.049 0.000 1.181 357 H CA 0.148 56.107 56.048 -0.147 0.000 1.376 357 H CB 1.366 31.100 29.762 -0.047 0.000 1.488 357 H HN 0.576 nan 8.280 nan 0.000 0.583 358 E N 1.948 122.322 120.200 0.290 0.000 2.001 358 E HA 0.116 4.474 4.350 0.013 0.000 0.279 358 E C -0.698 176.046 176.600 0.241 0.000 1.045 358 E CA -0.063 56.440 56.400 0.173 0.000 0.833 358 E CB 0.399 30.225 29.700 0.209 0.000 1.077 358 E HN 0.381 nan 8.360 nan 0.000 0.397 359 H N 1.693 120.812 119.070 0.081 0.000 2.865 359 H HA 0.273 4.837 4.556 0.013 0.000 0.362 359 H C -1.662 173.711 175.328 0.074 0.000 1.114 359 H CA -0.656 55.434 56.048 0.071 0.000 1.208 359 H CB 1.127 30.916 29.762 0.044 0.000 1.727 359 H HN 0.405 nan 8.280 nan 0.000 0.534 360 H N 6.226 124.897 119.070 -0.666 0.000 2.782 360 H HA 0.208 4.772 4.556 0.013 0.000 0.347 360 H C -2.283 172.651 175.328 -0.657 0.000 1.038 360 H CA -2.350 53.419 56.048 -0.465 0.000 1.255 360 H CB 2.770 32.403 29.762 -0.215 0.000 1.623 360 H HN 0.539 nan 8.280 nan 0.000 0.525 361 P HA -0.108 nan 4.420 nan 0.000 0.218 361 P C 1.143 178.360 177.300 -0.139 0.000 1.148 361 P CA 0.937 63.882 63.100 -0.259 0.000 0.822 361 P CB 0.903 32.475 31.700 -0.212 0.000 0.784 362 L N -1.855 119.398 121.223 0.049 0.000 2.362 362 L HA 0.115 4.463 4.340 0.013 0.000 0.204 362 L C 2.318 179.145 176.870 -0.073 0.000 1.060 362 L CA 0.631 55.439 54.840 -0.053 0.000 0.827 362 L CB -0.742 41.228 42.059 -0.147 0.000 1.027 362 L HN 0.000 nan 8.230 nan 0.000 0.474 363 H N -0.373 118.651 119.070 -0.078 0.000 2.539 363 H HA 0.228 4.792 4.556 0.013 0.000 0.269 363 H C 1.508 176.719 175.328 -0.195 0.000 0.980 363 H CA 0.078 55.987 56.048 -0.232 0.000 1.152 363 H CB 0.436 29.935 29.762 -0.438 0.000 1.407 363 H HN 0.414 nan 8.280 nan 0.000 0.564 364 G N 1.700 110.427 108.800 -0.121 0.000 2.601 364 G HA2 -0.396 3.572 3.960 0.013 0.000 0.306 364 G HA3 -0.396 3.572 3.960 0.013 0.000 0.306 364 G C 0.694 175.513 174.900 -0.136 0.000 1.172 364 G CA 0.460 45.433 45.100 -0.212 0.000 0.966 364 G HN 0.486 nan 8.290 nan 0.000 0.542 365 Q N 0.072 119.817 119.800 -0.091 0.000 2.188 365 Q HA 0.475 4.823 4.340 0.013 0.000 0.212 365 Q C 0.092 176.177 176.000 0.143 0.000 0.846 365 Q CA -0.133 55.663 55.803 -0.011 0.000 0.989 365 Q CB 1.493 30.125 28.738 -0.177 0.000 1.114 365 Q HN 0.350 nan 8.270 nan 0.000 0.488 366 V N 2.063 122.039 119.914 0.102 0.000 2.461 366 V HA 0.223 4.351 4.120 0.013 0.000 0.275 366 V C 0.166 176.319 176.094 0.098 0.000 1.047 366 V CA 0.011 62.382 62.300 0.119 0.000 0.955 366 V CB 1.087 32.911 31.823 0.003 0.000 0.988 366 V HN 0.332 nan 8.190 nan 0.000 0.471 367 M N 5.227 124.897 119.600 0.118 0.000 2.472 367 M HA 0.522 5.010 4.480 0.013 0.000 0.331 367 M C -0.464 175.833 176.300 -0.005 0.000 1.170 367 M CA -0.454 54.887 55.300 0.068 0.000 1.009 367 M CB 1.888 34.517 32.600 0.050 0.000 1.672 367 M HN 0.843 nan 8.290 nan 0.000 0.453 368 D N 0.133 120.533 120.400 0.001 0.000 2.547 368 D HA 0.223 4.871 4.640 0.013 0.000 0.231 368 D C 0.095 176.392 176.300 -0.006 0.000 1.099 368 D CA -0.460 53.532 54.000 -0.013 0.000 0.901 368 D CB 1.872 42.696 40.800 0.040 0.000 1.478 368 D HN 0.706 nan 8.370 nan 0.000 0.471 369 E N 0.273 120.473 120.200 -0.001 0.000 2.058 369 E HA -0.292 4.066 4.350 0.013 0.000 0.194 369 E C 1.829 178.476 176.600 0.077 0.000 0.997 369 E CA 1.424 57.847 56.400 0.039 0.000 0.801 369 E CB 0.144 29.878 29.700 0.056 0.000 0.746 369 E HN 0.566 nan 8.360 nan 0.000 0.450 370 Q N -0.341 119.508 119.800 0.081 0.000 2.077 370 Q HA -0.184 4.164 4.340 0.013 0.000 0.206 370 Q C 2.019 178.081 176.000 0.103 0.000 0.989 370 Q CA 2.458 58.317 55.803 0.093 0.000 0.853 370 Q CB -0.075 28.721 28.738 0.096 0.000 0.907 370 Q HN 0.266 nan 8.270 nan 0.000 0.418 371 T N 0.674 115.300 114.554 0.121 0.000 2.777 371 T HA -0.124 4.234 4.350 0.013 0.000 0.266 371 T C 1.803 176.584 174.700 0.134 0.000 1.040 371 T CA 1.477 63.659 62.100 0.136 0.000 1.141 371 T CB -0.152 68.826 68.868 0.183 0.000 0.868 371 T HN 0.304 nan 8.240 nan 0.000 0.444 372 M N 0.558 120.245 119.600 0.144 0.000 2.080 372 M HA -0.107 4.381 4.480 0.013 0.000 0.260 372 M C 2.466 178.878 176.300 0.186 0.000 1.068 372 M CA 1.386 56.839 55.300 0.255 0.000 1.109 372 M CB -0.588 32.192 32.600 0.300 0.000 1.342 372 M HN 0.098 nan 8.290 nan 0.000 0.405 373 V N 0.278 120.245 119.914 0.088 0.000 2.343 373 V HA -0.308 3.820 4.120 0.013 0.000 0.247 373 V C 2.320 178.387 176.094 -0.046 0.000 1.051 373 V CA 2.190 64.475 62.300 -0.024 0.000 1.036 373 V CB -0.905 30.945 31.823 0.045 0.000 0.654 373 V HN 0.579 nan 8.190 nan 0.000 0.451 374 Q N -0.261 119.565 119.800 0.043 0.000 2.084 374 Q HA -0.261 4.087 4.340 0.013 0.000 0.202 374 Q C 1.954 178.010 176.000 0.093 0.000 0.978 374 Q CA 2.133 57.977 55.803 0.067 0.000 0.844 374 Q CB -0.167 28.628 28.738 0.096 0.000 0.898 374 Q HN 0.615 nan 8.270 nan 0.000 0.426 375 D N 0.543 121.016 120.400 0.123 0.000 2.097 375 D HA -0.152 4.496 4.640 0.013 0.000 0.195 375 D C 1.988 178.217 176.300 -0.118 0.000 0.989 375 D CA 1.305 55.374 54.000 0.116 0.000 0.827 375 D CB -0.223 40.626 40.800 0.082 0.000 0.966 375 D HN 0.378 nan 8.370 nan 0.000 0.456 376 I N 0.749 121.239 120.570 -0.132 0.000 2.208 376 I HA -0.247 3.931 4.170 0.013 0.000 0.245 376 I C 2.452 178.412 176.117 -0.262 0.000 1.097 376 I CA 0.678 61.801 61.300 -0.294 0.000 1.363 376 I CB -0.180 37.532 38.000 -0.480 0.000 1.051 376 I HN -0.002 nan 8.210 nan 0.000 0.413 377 L N 0.061 121.170 121.223 -0.190 0.000 2.017 377 L HA -0.220 4.128 4.340 0.013 0.000 0.208 377 L C 2.565 179.487 176.870 0.086 0.000 1.073 377 L CA 1.364 56.182 54.840 -0.035 0.000 0.745 377 L CB -0.557 41.502 42.059 0.000 0.000 0.894 377 L HN 0.270 nan 8.230 nan 0.000 0.432 378 L N -0.942 120.351 121.223 0.117 0.000 2.046 378 L HA -0.239 4.109 4.340 0.013 0.000 0.208 378 L C 2.682 179.698 176.870 0.244 0.000 1.077 378 L CA 1.349 56.344 54.840 0.257 0.000 0.747 378 L CB -0.278 42.044 42.059 0.437 0.000 0.896 378 L HN 0.300 nan 8.230 nan 0.000 0.432 379 M N -0.685 118.872 119.600 -0.072 0.000 2.067 379 M HA -0.230 4.258 4.480 0.013 0.000 0.260 379 M C 2.265 178.625 176.300 0.100 0.000 1.069 379 M CA 1.846 57.015 55.300 -0.218 0.000 1.117 379 M CB -0.325 31.905 32.600 -0.618 0.000 1.334 379 M HN 0.057 nan 8.290 nan 0.000 0.407 380 K N -0.031 120.337 120.400 -0.054 0.000 2.148 380 K HA -0.162 4.166 4.320 0.013 0.000 0.204 380 K C 1.967 178.540 176.600 -0.046 0.000 1.050 380 K CA 1.181 57.338 56.287 -0.216 0.000 0.942 380 K CB -0.176 31.982 32.500 -0.570 0.000 0.724 380 K HN 0.433 nan 8.250 nan 0.000 0.446 381 Q N 0.344 120.290 119.800 0.242 0.000 2.291 381 Q HA -0.033 4.315 4.340 0.013 0.000 0.205 381 Q C 0.676 176.984 176.000 0.513 0.000 0.970 381 Q CA 0.749 56.830 55.803 0.463 0.000 0.876 381 Q CB 0.199 29.176 28.738 0.398 0.000 0.935 381 Q HN 0.256 nan 8.270 nan 0.000 0.455 382 N N 0.729 119.681 118.700 0.420 0.000 2.321 382 N HA 0.061 4.809 4.740 0.013 0.000 0.242 382 N C -0.759 174.903 175.510 0.253 0.000 1.141 382 N CA 0.011 53.310 53.050 0.416 0.000 0.864 382 N CB 0.710 39.516 38.487 0.533 0.000 1.100 382 N HN 0.141 nan 8.380 nan 0.000 0.510 383 N N 0.364 119.201 118.700 0.229 0.000 2.725 383 N HA -0.198 4.550 4.740 0.013 0.000 0.249 383 N C -0.970 174.510 175.510 -0.049 0.000 1.103 383 N CA 0.895 54.034 53.050 0.148 0.000 0.707 383 N CB -1.707 36.800 38.487 0.033 0.000 1.043 383 N HN 0.272 nan 8.380 nan 0.000 0.553 384 F N 0.842 120.810 119.950 0.031 0.000 2.399 384 F HA 0.333 4.868 4.527 0.013 0.000 0.334 384 F C 1.705 177.497 175.800 -0.013 0.000 1.097 384 F CA -0.729 57.273 58.000 0.004 0.000 1.076 384 F CB 1.001 39.976 39.000 -0.041 0.000 1.162 384 F HN 0.044 nan 8.300 nan 0.000 0.495 385 N N 0.694 119.510 118.700 0.194 0.000 2.143 385 N HA 0.420 5.168 4.740 0.013 0.000 0.222 385 N C -0.847 174.723 175.510 0.100 0.000 1.264 385 N CA -0.013 53.088 53.050 0.085 0.000 0.897 385 N CB 0.742 39.339 38.487 0.183 0.000 1.092 385 N HN 0.453 nan 8.380 nan 0.000 0.516 386 A N -0.395 122.555 122.820 0.216 0.000 2.572 386 A HA 0.771 5.098 4.320 0.013 0.000 0.295 386 A C -1.700 176.126 177.584 0.402 0.000 1.072 386 A CA -0.726 51.510 52.037 0.331 0.000 0.691 386 A CB 1.959 21.185 19.000 0.376 0.000 1.291 386 A HN 0.244 nan 8.150 nan 0.000 0.404 387 V N 1.375 121.559 119.914 0.450 0.000 2.888 387 V HA 0.774 4.902 4.120 0.013 0.000 0.309 387 V C -0.732 175.457 176.094 0.159 0.000 1.114 387 V CA -0.707 61.791 62.300 0.330 0.000 0.940 387 V CB 1.889 33.841 31.823 0.216 0.000 1.021 387 V HN 1.086 nan 8.190 nan 0.000 0.426 388 R N 5.027 125.463 120.500 -0.107 0.000 2.338 388 R HA 0.476 4.824 4.340 0.013 0.000 0.317 388 R C -0.722 175.407 176.300 -0.285 0.000 0.968 388 R CA -0.497 55.374 56.100 -0.382 0.000 0.849 388 R CB 1.093 30.943 30.300 -0.750 0.000 1.128 388 R HN 0.827 nan 8.270 nan 0.000 0.448 389 C N 4.340 123.505 119.300 -0.225 0.000 3.183 389 C HA 0.104 4.572 4.460 0.013 0.000 0.545 389 C C 0.635 175.332 174.990 -0.488 0.000 1.044 389 C CA -0.456 58.378 59.018 -0.307 0.000 1.117 389 C CB -2.120 25.550 27.740 -0.117 0.000 1.393 389 C HN 0.695 nan 8.230 nan 0.000 0.611 390 S N 1.328 116.617 115.700 -0.684 0.000 2.455 390 S HA 0.205 4.683 4.470 0.013 0.000 0.278 390 S C -0.164 173.562 174.600 -1.456 0.000 1.216 390 S CA 0.083 57.642 58.200 -1.069 0.000 1.055 390 S CB 0.157 62.648 63.200 -1.181 0.000 0.939 390 S HN 0.726 nan 8.310 nan 0.000 0.494 391 H N 3.822 122.294 119.070 -0.997 0.000 2.439 391 H HA 0.320 4.884 4.556 0.013 0.000 0.228 391 H C -1.185 174.044 175.328 -0.166 0.000 1.423 391 H CA -0.332 55.515 56.048 -0.335 0.000 1.386 391 H CB -0.060 29.705 29.762 0.005 0.000 1.641 391 H HN 0.896 nan 8.280 nan 0.000 0.508 392 Y N -2.866 117.534 120.300 0.167 0.000 2.765 392 Y HA 0.362 4.921 4.550 0.014 0.000 0.350 392 Y C -3.400 172.604 175.900 0.173 0.000 1.196 392 Y CA -2.986 55.222 58.100 0.181 0.000 1.119 392 Y CB -0.029 38.547 38.460 0.192 0.000 1.368 392 Y HN -0.068 nan 8.280 nan 0.000 0.463 393 P HA 0.143 nan 4.420 nan 0.000 0.268 393 P C -0.531 177.058 177.300 0.483 0.000 1.205 393 P CA 0.257 63.612 63.100 0.425 0.000 0.771 393 P CB 0.546 32.429 31.700 0.305 0.000 0.858 394 N N 0.632 119.621 118.700 0.481 0.000 2.413 394 N HA 0.076 4.824 4.740 0.013 0.000 0.266 394 N C 0.130 175.893 175.510 0.421 0.000 1.238 394 N CA -0.591 52.661 53.050 0.338 0.000 0.972 394 N CB 0.298 38.776 38.487 -0.016 0.000 1.210 394 N HN 0.597 nan 8.380 nan 0.000 0.547 395 H N 2.431 121.624 119.070 0.206 0.000 3.034 395 H HA -0.003 4.561 4.556 0.013 0.000 0.324 395 H C -1.578 173.937 175.328 0.312 0.000 1.015 395 H CA -0.882 55.273 56.048 0.178 0.000 1.429 395 H CB 0.947 30.782 29.762 0.120 0.000 1.429 395 H HN 0.443 nan 8.280 nan 0.000 0.585 396 P HA -0.225 nan 4.420 nan 0.000 0.217 396 P C 1.781 179.401 177.300 0.532 0.000 1.148 396 P CA 0.784 64.143 63.100 0.431 0.000 0.834 396 P CB 0.283 32.078 31.700 0.159 0.000 0.783 397 L N -0.933 120.684 121.223 0.656 0.000 2.131 397 L HA -0.050 4.298 4.340 0.013 0.000 0.210 397 L C 2.489 179.518 176.870 0.266 0.000 1.092 397 L CA 1.445 56.507 54.840 0.370 0.000 0.759 397 L CB -1.426 40.749 42.059 0.194 0.000 0.903 397 L HN 0.015 nan 8.230 nan 0.000 0.435 398 W N -0.483 120.858 121.300 0.067 0.000 2.321 398 W HA -0.333 4.334 4.660 0.013 0.000 0.306 398 W C 2.023 178.411 176.519 -0.218 0.000 1.217 398 W CA 1.926 59.188 57.345 -0.139 0.000 1.257 398 W CB -0.336 28.952 29.460 -0.286 0.000 1.145 398 W HN 0.280 nan 8.180 nan 0.000 0.509 399 Y N 0.636 120.860 120.300 -0.127 0.000 2.314 399 Y HA -0.170 4.387 4.550 0.013 0.000 0.293 399 Y C 2.826 178.525 175.900 -0.335 0.000 1.129 399 Y CA 2.017 59.855 58.100 -0.437 0.000 1.201 399 Y CB -1.220 36.664 38.460 -0.959 0.000 0.999 399 Y HN -0.228 nan 8.280 nan 0.000 0.541 400 T N 0.665 115.236 114.554 0.029 0.000 2.708 400 T HA -0.148 4.210 4.350 0.013 0.000 0.266 400 T C 2.001 176.732 174.700 0.053 0.000 1.037 400 T CA 1.385 63.562 62.100 0.128 0.000 1.146 400 T CB -0.543 68.439 68.868 0.190 0.000 0.865 400 T HN 0.239 nan 8.240 nan 0.000 0.435 401 L N 0.344 121.557 121.223 -0.017 0.000 2.093 401 L HA -0.082 4.266 4.340 0.013 0.000 0.208 401 L C 2.839 179.675 176.870 -0.056 0.000 1.085 401 L CA 0.818 55.665 54.840 0.012 0.000 0.755 401 L CB -0.708 41.333 42.059 -0.029 0.000 0.904 401 L HN 0.376 nan 8.230 nan 0.000 0.435 402 C N -0.226 118.889 119.300 -0.307 0.000 2.435 402 C HA -0.124 4.344 4.460 0.013 0.000 0.279 402 C C 2.418 177.447 174.990 0.065 0.000 1.321 402 C CA 0.347 59.210 59.018 -0.257 0.000 1.752 402 C CB -0.728 26.740 27.740 -0.454 0.000 1.959 402 C HN 0.539 nan 8.230 nan 0.000 0.500 403 D N 0.584 121.038 120.400 0.090 0.000 2.097 403 D HA -0.099 4.549 4.640 0.013 0.000 0.195 403 D C 2.379 178.893 176.300 0.355 0.000 0.989 403 D CA 1.226 55.367 54.000 0.235 0.000 0.827 403 D CB -0.353 40.533 40.800 0.142 0.000 0.966 403 D HN 0.525 nan 8.370 nan 0.000 0.456 404 R N -0.841 119.754 120.500 0.158 0.000 2.075 404 R HA -0.029 4.319 4.340 0.013 0.000 0.226 404 R C 2.255 178.517 176.300 -0.063 0.000 1.114 404 R CA 0.654 56.777 56.100 0.040 0.000 0.972 404 R CB -0.210 30.041 30.300 -0.082 0.000 0.869 404 R HN 0.248 nan 8.270 nan 0.000 0.437 405 Y N -0.105 120.197 120.300 0.004 0.000 2.365 405 Y HA 0.151 4.708 4.550 0.013 0.000 0.293 405 Y C 1.068 176.888 175.900 -0.133 0.000 1.119 405 Y CA 1.100 59.173 58.100 -0.045 0.000 1.203 405 Y CB 0.410 38.817 38.460 -0.089 0.000 1.026 405 Y HN 0.260 nan 8.280 nan 0.000 0.549 406 G N 0.859 109.671 108.800 0.020 0.000 2.780 406 G HA2 -0.101 3.867 3.960 0.013 0.000 0.364 406 G HA3 -0.101 3.867 3.960 0.013 0.000 0.364 406 G C -1.194 173.526 174.900 -0.299 0.000 1.045 406 G CA -0.531 44.444 45.100 -0.209 0.000 1.202 406 G HN 0.155 nan 8.290 nan 0.000 0.534 407 L N 1.210 122.328 121.223 -0.176 0.000 2.482 407 L HA 0.483 4.831 4.340 0.013 0.000 0.263 407 L C -0.441 176.407 176.870 -0.037 0.000 0.957 407 L CA -1.357 53.348 54.840 -0.225 0.000 0.836 407 L CB 1.885 43.841 42.059 -0.172 0.000 1.324 407 L HN 0.356 nan 8.230 nan 0.000 0.406 408 Y N 1.897 122.326 120.300 0.214 0.000 2.359 408 Y HA 0.406 4.966 4.550 0.016 0.000 0.330 408 Y C 0.288 176.312 175.900 0.207 0.000 1.143 408 Y CA -0.538 57.721 58.100 0.265 0.000 1.318 408 Y CB 1.019 39.618 38.460 0.232 0.000 1.234 408 Y HN 0.110 nan 8.280 nan 0.000 0.522 409 V N 3.876 123.967 119.914 0.296 0.000 2.604 409 V HA 0.419 4.547 4.120 0.013 0.000 0.305 409 V C -0.644 175.516 176.094 0.108 0.000 1.043 409 V CA -1.085 61.324 62.300 0.181 0.000 0.888 409 V CB 2.081 33.969 31.823 0.109 0.000 0.995 409 V HN 0.455 nan 8.190 nan 0.000 0.429 410 V N 3.107 123.048 119.914 0.045 0.000 2.311 410 V HA 0.316 4.444 4.120 0.013 0.000 0.275 410 V C -0.296 175.818 176.094 0.034 0.000 1.022 410 V CA -0.387 61.898 62.300 -0.026 0.000 0.830 410 V CB 1.343 33.044 31.823 -0.204 0.000 1.012 410 V HN 0.872 nan 8.190 nan 0.000 0.452 411 D N 4.204 124.668 120.400 0.107 0.000 2.312 411 D HA 0.261 4.909 4.640 0.013 0.000 0.252 411 D C -0.144 176.344 176.300 0.312 0.000 1.150 411 D CA 0.097 54.264 54.000 0.278 0.000 0.870 411 D CB 1.170 42.202 40.800 0.386 0.000 1.153 411 D HN 0.665 nan 8.370 nan 0.000 0.457 412 E N 1.675 122.022 120.200 0.246 0.000 2.187 412 E HA 0.605 4.963 4.350 0.013 0.000 0.268 412 E C -1.003 175.740 176.600 0.238 0.000 0.896 412 E CA -1.075 55.459 56.400 0.224 0.000 0.766 412 E CB 1.376 31.158 29.700 0.137 0.000 1.142 412 E HN 0.471 nan 8.360 nan 0.000 0.408 413 A N 3.741 126.697 122.820 0.225 0.000 2.498 413 A HA 0.038 4.366 4.320 0.013 0.000 0.239 413 A C 0.345 178.061 177.584 0.221 0.000 1.068 413 A CA -0.200 51.950 52.037 0.189 0.000 0.766 413 A CB 0.113 19.192 19.000 0.131 0.000 1.003 413 A HN 0.686 nan 8.150 nan 0.000 0.497 414 N N 1.548 120.387 118.700 0.231 0.000 3.103 414 N HA 0.205 4.953 4.740 0.013 0.000 0.305 414 N C -0.959 174.688 175.510 0.228 0.000 1.232 414 N CA 0.275 53.495 53.050 0.283 0.000 1.190 414 N CB -0.862 37.788 38.487 0.272 0.000 1.461 414 N HN 0.482 nan 8.380 nan 0.000 0.538 415 I N 0.979 121.680 120.570 0.218 0.000 2.503 415 I HA 0.255 4.433 4.170 0.013 0.000 0.282 415 I C -0.604 175.623 176.117 0.183 0.000 1.059 415 I CA -0.640 60.772 61.300 0.187 0.000 1.081 415 I CB 1.672 39.761 38.000 0.149 0.000 1.210 415 I HN 0.242 nan 8.210 nan 0.000 0.450 416 E N 4.368 124.669 120.200 0.169 0.000 2.294 416 E HA 0.343 4.701 4.350 0.013 0.000 0.272 416 E C -0.516 176.157 176.600 0.122 0.000 0.896 416 E CA -0.506 55.964 56.400 0.116 0.000 0.802 416 E CB 1.587 31.326 29.700 0.066 0.000 1.267 416 E HN 0.585 nan 8.360 nan 0.000 0.406 417 T N 0.757 115.377 114.554 0.111 0.000 3.355 417 T HA 0.156 4.514 4.350 0.013 0.000 0.276 417 T C 0.925 175.683 174.700 0.098 0.000 1.003 417 T CA -0.286 61.904 62.100 0.150 0.000 0.943 417 T CB -0.297 68.638 68.868 0.112 0.000 1.158 417 T HN 0.679 nan 8.240 nan 0.000 0.513 418 H N 1.187 120.187 119.070 -0.117 0.000 2.357 418 H HA -0.100 4.464 4.556 0.014 0.000 0.296 418 H C 2.334 177.541 175.328 -0.202 0.000 1.108 418 H CA 1.367 57.313 56.048 -0.171 0.000 1.273 418 H CB -0.245 29.382 29.762 -0.226 0.000 1.367 418 H HN 0.587 nan 8.280 nan 0.000 0.498 419 G N 0.350 108.985 108.800 -0.276 0.000 2.559 419 G HA2 -0.091 3.877 3.960 0.013 0.000 0.216 419 G HA3 -0.091 3.877 3.960 0.013 0.000 0.216 419 G C 0.556 175.540 174.900 0.141 0.000 1.126 419 G CA -0.041 44.905 45.100 -0.257 0.000 0.778 419 G HN 0.159 nan 8.290 nan 0.000 0.543 420 M N 0.306 120.044 119.600 0.230 0.000 2.226 420 M HA 0.315 4.803 4.480 0.013 0.000 0.324 420 M C -0.400 175.938 176.300 0.063 0.000 1.112 420 M CA -0.216 55.182 55.300 0.163 0.000 1.176 420 M CB 1.361 34.016 32.600 0.091 0.000 1.430 420 M HN -0.198 nan 8.290 nan 0.000 0.462 421 V N 4.081 124.012 119.914 0.029 0.000 2.462 421 V HA 0.338 4.466 4.120 0.013 0.000 0.288 421 V C -1.917 174.173 176.094 -0.007 0.000 1.020 421 V CA -1.258 61.045 62.300 0.005 0.000 0.857 421 V CB 1.713 33.534 31.823 -0.003 0.000 1.013 421 V HN 0.743 nan 8.190 nan 0.000 0.431 422 P HA 0.225 nan 4.420 nan 0.000 0.275 422 P C 1.021 178.329 177.300 0.014 0.000 1.266 422 P CA -0.514 62.587 63.100 0.002 0.000 0.793 422 P CB 1.138 32.840 31.700 0.003 0.000 1.074 423 M N 0.594 120.210 119.600 0.026 0.000 2.267 423 M HA -0.174 4.314 4.480 0.013 0.000 0.263 423 M C 1.214 177.547 176.300 0.054 0.000 1.063 423 M CA 1.798 57.125 55.300 0.046 0.000 1.090 423 M CB -0.444 32.178 32.600 0.037 0.000 1.392 423 M HN 0.370 nan 8.290 nan 0.000 0.422 424 N N -0.264 118.466 118.700 0.049 0.000 2.251 424 N HA -0.049 4.699 4.740 0.013 0.000 0.217 424 N C 1.108 176.608 175.510 -0.017 0.000 1.124 424 N CA 0.058 53.139 53.050 0.051 0.000 0.843 424 N CB -0.637 37.902 38.487 0.087 0.000 1.024 424 N HN 0.358 nan 8.380 nan 0.000 0.501 425 R N 0.301 120.775 120.500 -0.043 0.000 2.127 425 R HA 0.037 4.385 4.340 0.013 0.000 0.238 425 R C 1.352 177.560 176.300 -0.154 0.000 1.134 425 R CA 1.185 57.235 56.100 -0.082 0.000 0.975 425 R CB 0.043 30.291 30.300 -0.087 0.000 0.865 425 R HN 0.276 nan 8.270 nan 0.000 0.447 426 L N -0.823 120.255 121.223 -0.243 0.000 2.221 426 L HA 0.009 4.357 4.340 0.013 0.000 0.202 426 L C 2.407 179.145 176.870 -0.220 0.000 1.074 426 L CA 1.213 55.791 54.840 -0.437 0.000 0.795 426 L CB -0.410 41.159 42.059 -0.816 0.000 0.960 426 L HN 0.327 nan 8.230 nan 0.000 0.458 427 T N -4.242 110.216 114.554 -0.159 0.000 3.051 427 T HA -0.169 4.189 4.350 0.013 0.000 0.269 427 T C 1.166 175.785 174.700 -0.135 0.000 1.127 427 T CA 1.314 63.306 62.100 -0.179 0.000 1.107 427 T CB -0.198 68.525 68.868 -0.240 0.000 0.898 427 T HN 0.157 nan 8.240 nan 0.000 0.517 428 D N 0.662 121.018 120.400 -0.073 0.000 2.398 428 D HA 0.100 4.748 4.640 0.013 0.000 0.210 428 D C -0.254 176.030 176.300 -0.026 0.000 1.094 428 D CA -0.280 53.688 54.000 -0.053 0.000 0.839 428 D CB 0.056 40.831 40.800 -0.043 0.000 0.963 428 D HN 0.257 nan 8.370 nan 0.000 0.506 429 D N 0.214 120.613 120.400 -0.002 0.000 2.317 429 D HA 0.105 4.753 4.640 0.013 0.000 0.234 429 D C -1.495 174.855 176.300 0.083 0.000 1.112 429 D CA -2.243 51.790 54.000 0.055 0.000 0.840 429 D CB 1.904 42.773 40.800 0.115 0.000 1.078 429 D HN 0.009 nan 8.370 nan 0.000 0.486 430 P HA -0.173 nan 4.420 nan 0.000 0.218 430 P C 1.185 178.493 177.300 0.014 0.000 1.146 430 P CA 0.619 63.730 63.100 0.019 0.000 0.813 430 P CB 0.564 32.265 31.700 0.000 0.000 0.778 431 R N -1.179 119.340 120.500 0.031 0.000 2.152 431 R HA -0.102 4.246 4.340 0.013 0.000 0.232 431 R C 1.679 177.875 176.300 -0.173 0.000 1.117 431 R CA 1.407 57.466 56.100 -0.068 0.000 0.981 431 R CB -1.077 29.189 30.300 -0.057 0.000 0.870 431 R HN 0.312 nan 8.270 nan 0.000 0.451 432 W N -1.133 120.117 121.300 -0.084 0.000 3.278 432 W HA 0.211 4.879 4.660 0.013 0.000 0.308 432 W C 1.206 177.672 176.519 -0.088 0.000 1.253 432 W CA -0.512 56.784 57.345 -0.082 0.000 1.759 432 W CB -0.093 29.318 29.460 -0.082 0.000 1.093 432 W HN 0.043 nan 8.180 nan 0.000 0.648 433 L N 2.157 123.416 121.223 0.060 0.000 2.042 433 L HA -0.053 4.295 4.340 0.013 0.000 0.210 433 L C -0.685 176.156 176.870 -0.048 0.000 1.076 433 L CA 2.266 57.101 54.840 -0.008 0.000 0.749 433 L CB -1.657 40.385 42.059 -0.029 0.000 0.893 433 L HN -0.222 nan 8.230 nan 0.000 0.432 434 P HA -0.171 nan 4.420 nan 0.000 0.214 434 P C 1.640 178.890 177.300 -0.083 0.000 1.163 434 P CA 2.235 65.277 63.100 -0.096 0.000 0.883 434 P CB -0.224 31.407 31.700 -0.115 0.000 0.788 435 A N -1.110 121.673 122.820 -0.062 0.000 1.908 435 A HA -0.224 4.104 4.320 0.013 0.000 0.218 435 A C 2.236 179.838 177.584 0.030 0.000 1.181 435 A CA 2.095 54.131 52.037 -0.003 0.000 0.627 435 A CB -1.521 17.509 19.000 0.049 0.000 0.818 435 A HN 0.110 nan 8.150 nan 0.000 0.445 436 M N 0.273 119.899 119.600 0.045 0.000 2.132 436 M HA -0.150 4.338 4.480 0.013 0.000 0.263 436 M C 2.542 178.793 176.300 -0.083 0.000 1.065 436 M CA 1.792 57.095 55.300 0.005 0.000 1.122 436 M CB -0.396 32.191 32.600 -0.021 0.000 1.365 436 M HN 0.666 nan 8.290 nan 0.000 0.411 437 S N 0.243 115.862 115.700 -0.134 0.000 2.382 437 S HA -0.164 4.314 4.470 0.013 0.000 0.228 437 S C 1.595 176.018 174.600 -0.293 0.000 1.027 437 S CA 1.332 59.379 58.200 -0.255 0.000 0.991 437 S CB -0.629 62.402 63.200 -0.282 0.000 0.823 437 S HN 0.521 nan 8.310 nan 0.000 0.469 438 E N 1.133 121.216 120.200 -0.194 0.000 2.150 438 E HA -0.049 4.309 4.350 0.013 0.000 0.193 438 E C 2.375 178.890 176.600 -0.143 0.000 0.985 438 E CA 0.741 57.035 56.400 -0.178 0.000 0.814 438 E CB -0.145 29.487 29.700 -0.114 0.000 0.752 438 E HN 0.548 nan 8.360 nan 0.000 0.466 439 R N 0.233 120.682 120.500 -0.086 0.000 2.148 439 R HA -0.068 4.280 4.340 0.013 0.000 0.227 439 R C 2.239 178.501 176.300 -0.063 0.000 1.103 439 R CA 0.624 56.705 56.100 -0.032 0.000 0.983 439 R CB 0.059 30.381 30.300 0.036 0.000 0.874 439 R HN 0.009 nan 8.270 nan 0.000 0.451 440 V N -0.087 119.742 119.914 -0.142 0.000 2.374 440 V HA -0.172 3.956 4.120 0.013 0.000 0.241 440 V C 2.442 178.352 176.094 -0.308 0.000 1.034 440 V CA 2.088 64.280 62.300 -0.181 0.000 1.037 440 V CB -0.275 31.433 31.823 -0.191 0.000 0.682 440 V HN 0.512 nan 8.190 nan 0.000 0.463 441 T N -0.668 113.566 114.554 -0.534 0.000 2.746 441 T HA -0.238 4.120 4.350 0.013 0.000 0.267 441 T C 1.909 176.439 174.700 -0.283 0.000 1.039 441 T CA 1.399 63.084 62.100 -0.692 0.000 1.142 441 T CB -0.416 67.838 68.868 -1.023 0.000 0.866 441 T HN 0.400 nan 8.240 nan 0.000 0.444 442 R N 0.129 120.491 120.500 -0.232 0.000 2.189 442 R HA 0.244 4.592 4.340 0.013 0.000 0.218 442 R C 2.571 178.787 176.300 -0.141 0.000 1.074 442 R CA 1.118 57.120 56.100 -0.163 0.000 0.991 442 R CB -0.400 29.813 30.300 -0.145 0.000 0.883 442 R HN 0.499 nan 8.270 nan 0.000 0.457 443 M N 0.462 119.984 119.600 -0.130 0.000 2.098 443 M HA -0.112 4.376 4.480 0.013 0.000 0.262 443 M C 1.871 178.087 176.300 -0.140 0.000 1.072 443 M CA 1.567 56.823 55.300 -0.075 0.000 1.133 443 M CB 0.118 32.715 32.600 -0.005 0.000 1.344 443 M HN -0.045 nan 8.290 nan 0.000 0.414 444 V N 1.244 120.960 119.914 -0.330 0.000 2.332 444 V HA -0.302 3.826 4.120 0.013 0.000 0.248 444 V C 2.287 178.256 176.094 -0.208 0.000 1.055 444 V CA 2.043 64.017 62.300 -0.544 0.000 1.038 444 V CB -0.952 30.539 31.823 -0.553 0.000 0.651 444 V HN 0.598 nan 8.190 nan 0.000 0.450 445 Q N -0.729 118.988 119.800 -0.139 0.000 2.170 445 Q HA -0.218 4.130 4.340 0.013 0.000 0.203 445 Q C 2.466 178.363 176.000 -0.171 0.000 0.976 445 Q CA 1.494 57.221 55.803 -0.128 0.000 0.858 445 Q CB -0.173 28.512 28.738 -0.088 0.000 0.907 445 Q HN 0.543 nan 8.270 nan 0.000 0.433 446 R N 0.398 120.796 120.500 -0.170 0.000 2.080 446 R HA -0.084 4.264 4.340 0.013 0.000 0.222 446 R C 0.522 176.735 176.300 -0.145 0.000 1.107 446 R CA 1.295 57.272 56.100 -0.206 0.000 0.980 446 R CB 0.418 30.599 30.300 -0.199 0.000 0.879 446 R HN 0.168 nan 8.270 nan 0.000 0.439 447 D N 0.001 120.385 120.400 -0.027 0.000 2.369 447 D HA -0.008 4.639 4.640 0.013 0.000 0.211 447 D C 1.290 177.707 176.300 0.195 0.000 1.077 447 D CA 0.083 54.132 54.000 0.083 0.000 0.842 447 D CB 0.219 41.005 40.800 -0.023 0.000 0.947 447 D HN 0.377 nan 8.370 nan 0.000 0.509 448 R N 0.737 121.353 120.500 0.195 0.000 2.249 448 R HA -0.015 4.333 4.340 0.013 0.000 0.230 448 R C 0.815 177.120 176.300 0.009 0.000 1.121 448 R CA 0.897 57.127 56.100 0.217 0.000 0.997 448 R CB -0.307 30.036 30.300 0.072 0.000 0.867 448 R HN -0.065 nan 8.270 nan 0.000 0.465 449 N N 0.213 118.838 118.700 -0.125 0.000 2.336 449 N HA -0.003 4.745 4.740 0.013 0.000 0.189 449 N C -0.456 174.927 175.510 -0.211 0.000 1.113 449 N CA 0.232 53.184 53.050 -0.164 0.000 0.858 449 N CB 0.109 38.489 38.487 -0.178 0.000 0.970 449 N HN 0.288 nan 8.380 nan 0.000 0.471 450 H N 1.673 120.692 119.070 -0.084 0.000 2.878 450 H HA 0.084 4.647 4.556 0.013 0.000 0.290 450 H C -1.163 174.027 175.328 -0.231 0.000 1.065 450 H CA -1.123 54.858 56.048 -0.112 0.000 1.477 450 H CB 1.354 31.089 29.762 -0.046 0.000 1.484 450 H HN 0.098 nan 8.280 nan 0.000 0.504 451 P HA -0.147 nan 4.420 nan 0.000 0.221 451 P C 1.436 178.253 177.300 -0.804 0.000 1.150 451 P CA 1.029 63.770 63.100 -0.598 0.000 0.800 451 P CB 0.329 31.483 31.700 -0.910 0.000 0.787 452 S N -0.365 114.986 115.700 -0.582 0.000 2.382 452 S HA -0.062 4.416 4.470 0.013 0.000 0.228 452 S C 1.178 175.756 174.600 -0.038 0.000 1.027 452 S CA 0.529 58.581 58.200 -0.247 0.000 0.991 452 S CB -1.652 61.546 63.200 -0.004 0.000 0.823 452 S HN -0.046 nan 8.310 nan 0.000 0.469 453 V N 3.815 123.683 119.914 -0.076 0.000 2.446 453 V HA 0.203 4.331 4.120 0.013 0.000 0.276 453 V C 1.067 177.027 176.094 -0.224 0.000 1.030 453 V CA 0.203 62.422 62.300 -0.136 0.000 1.033 453 V CB 0.201 31.866 31.823 -0.263 0.000 0.993 453 V HN 0.651 nan 8.190 nan 0.000 0.477 454 I N 2.560 123.051 120.570 -0.132 0.000 4.227 454 I HA 0.529 4.707 4.170 0.013 0.000 0.334 454 I C 0.282 176.296 176.117 -0.171 0.000 1.341 454 I CA 0.394 61.627 61.300 -0.111 0.000 1.123 454 I CB 0.469 38.494 38.000 0.041 0.000 1.097 454 I HN 0.327 nan 8.210 nan 0.000 0.399 455 I N 0.199 120.630 120.570 -0.232 0.000 2.692 455 I HA 0.352 4.530 4.170 0.013 0.000 0.293 455 I C -1.625 174.384 176.117 -0.181 0.000 1.200 455 I CA -0.378 60.828 61.300 -0.157 0.000 1.036 455 I CB 2.057 40.059 38.000 0.004 0.000 1.258 455 I HN 0.020 nan 8.210 nan 0.000 0.421 456 W N 3.795 125.146 121.300 0.086 0.000 2.496 456 W HA 0.644 5.311 4.660 0.011 0.000 0.327 456 W C 0.365 176.950 176.519 0.111 0.000 1.086 456 W CA -0.672 56.731 57.345 0.095 0.000 1.222 456 W CB 1.762 31.274 29.460 0.087 0.000 1.304 456 W HN 0.302 nan 8.180 nan 0.000 0.547 457 S N 2.652 118.586 115.700 0.390 0.000 2.500 457 S HA 0.422 4.900 4.470 0.013 0.000 0.301 457 S C 0.134 174.907 174.600 0.288 0.000 1.092 457 S CA -0.694 57.682 58.200 0.293 0.000 1.030 457 S CB 0.783 64.108 63.200 0.208 0.000 1.031 457 S HN 0.575 nan 8.310 nan 0.000 0.483 458 L N 4.251 125.644 121.223 0.284 0.000 2.627 458 L HA 0.359 4.707 4.340 0.013 0.000 0.233 458 L C 1.357 178.333 176.870 0.176 0.000 1.144 458 L CA 0.430 55.370 54.840 0.166 0.000 0.892 458 L CB -1.118 40.940 42.059 -0.001 0.000 1.039 458 L HN 1.009 nan 8.230 nan 0.000 0.442 459 G N -0.669 108.307 108.800 0.294 0.000 2.337 459 G HA2 -0.095 3.873 3.960 0.013 0.000 0.197 459 G HA3 -0.095 3.873 3.960 0.013 0.000 0.197 459 G C -0.623 174.483 174.900 0.344 0.000 1.238 459 G CA -0.237 45.036 45.100 0.289 0.000 1.119 459 G HN 0.021 nan 8.290 nan 0.000 0.514 460 T N -0.167 114.526 114.554 0.231 0.000 2.853 460 T HA 0.537 4.895 4.350 0.013 0.000 0.311 460 T C -0.576 174.089 174.700 -0.058 0.000 1.307 460 T CA 0.667 62.768 62.100 0.001 0.000 1.019 460 T CB 1.139 69.806 68.868 -0.335 0.000 1.264 460 T HN 1.437 nan 8.240 nan 0.000 0.497 461 E N 1.334 121.400 120.200 -0.222 0.000 2.106 461 E HA -0.146 4.212 4.350 0.013 0.000 0.175 461 E C -0.398 176.149 176.600 -0.089 0.000 1.448 461 E CA 0.616 56.832 56.400 -0.306 0.000 0.672 461 E CB -1.369 27.919 29.700 -0.687 0.000 1.057 461 E HN 0.376 nan 8.360 nan 0.000 0.321 462 S N -0.060 115.718 115.700 0.131 0.000 2.941 462 S HA 0.393 4.871 4.470 0.013 0.000 0.251 462 S C 0.690 175.470 174.600 0.300 0.000 1.029 462 S CA -0.134 58.205 58.200 0.231 0.000 1.062 462 S CB 1.376 64.784 63.200 0.347 0.000 0.977 462 S HN 0.853 nan 8.310 nan 0.000 0.552 463 G N 1.996 110.905 108.800 0.182 0.000 2.598 463 G HA2 -0.274 3.694 3.960 0.013 0.000 0.269 463 G HA3 -0.274 3.694 3.960 0.013 0.000 0.269 463 G C -0.481 174.635 174.900 0.359 0.000 1.289 463 G CA -0.069 45.143 45.100 0.186 0.000 0.926 463 G HN 0.647 nan 8.290 nan 0.000 0.567 464 H N 0.413 119.610 119.070 0.211 0.000 2.860 464 H HA 0.561 5.125 4.556 0.013 0.000 0.312 464 H C 0.403 175.891 175.328 0.268 0.000 0.995 464 H CA -0.192 56.017 56.048 0.268 0.000 1.311 464 H CB 0.460 30.319 29.762 0.160 0.000 1.478 464 H HN 0.964 nan 8.280 nan 0.000 0.508 465 G N 1.563 110.555 108.800 0.319 0.000 2.511 465 G HA2 0.437 4.405 3.960 0.013 0.000 0.318 465 G HA3 0.437 4.405 3.960 0.013 0.000 0.318 465 G C 0.655 175.493 174.900 -0.103 0.000 1.210 465 G CA -0.155 44.933 45.100 -0.020 0.000 0.969 465 G HN 0.688 nan 8.290 nan 0.000 0.484 466 A N 0.520 123.269 122.820 -0.118 0.000 2.076 466 A HA -0.106 4.222 4.320 0.013 0.000 0.220 466 A C 2.102 179.669 177.584 -0.029 0.000 1.160 466 A CA 1.797 53.793 52.037 -0.068 0.000 0.653 466 A CB -0.367 18.606 19.000 -0.046 0.000 0.801 466 A HN 0.531 nan 8.150 nan 0.000 0.455 467 N N -0.412 118.236 118.700 -0.086 0.000 2.244 467 N HA -0.112 4.636 4.740 0.013 0.000 0.183 467 N C 1.356 176.804 175.510 -0.103 0.000 1.016 467 N CA 1.542 54.525 53.050 -0.113 0.000 0.866 467 N CB -0.603 37.776 38.487 -0.181 0.000 0.980 467 N HN 0.784 nan 8.380 nan 0.000 0.430 468 H N 0.244 119.310 119.070 -0.006 0.000 2.357 468 H HA 0.001 4.565 4.556 0.013 0.000 0.301 468 H C 1.207 176.603 175.328 0.113 0.000 1.082 468 H CA 1.153 57.195 56.048 -0.009 0.000 1.342 468 H CB 0.220 29.968 29.762 -0.024 0.000 1.389 468 H HN 0.181 nan 8.280 nan 0.000 0.511 469 D N 0.405 120.963 120.400 0.262 0.000 2.117 469 D HA -0.118 4.530 4.640 0.013 0.000 0.197 469 D C 2.309 178.761 176.300 0.253 0.000 0.987 469 D CA 1.147 55.298 54.000 0.252 0.000 0.829 469 D CB -0.345 40.565 40.800 0.182 0.000 0.961 469 D HN 0.416 nan 8.370 nan 0.000 0.460 470 A N 1.008 123.926 122.820 0.164 0.000 1.877 470 A HA -0.123 4.205 4.320 0.013 0.000 0.216 470 A C 2.423 180.116 177.584 0.183 0.000 1.186 470 A CA 0.964 53.088 52.037 0.144 0.000 0.620 470 A CB -0.814 18.230 19.000 0.074 0.000 0.822 470 A HN 0.190 nan 8.150 nan 0.000 0.443 471 L N -2.012 119.300 121.223 0.148 0.000 2.141 471 L HA -0.151 4.197 4.340 0.013 0.000 0.209 471 L C 2.575 179.587 176.870 0.236 0.000 1.094 471 L CA 1.511 56.440 54.840 0.149 0.000 0.763 471 L CB -0.642 41.438 42.059 0.035 0.000 0.908 471 L HN 0.638 nan 8.230 nan 0.000 0.437 472 Y N 1.196 121.581 120.300 0.141 0.000 2.145 472 Y HA -0.308 4.248 4.550 0.010 0.000 0.286 472 Y C 2.795 178.777 175.900 0.137 0.000 1.145 472 Y CA 1.693 59.878 58.100 0.141 0.000 1.148 472 Y CB -0.130 38.412 38.460 0.137 0.000 0.981 472 Y HN -0.040 nan 8.280 nan 0.000 0.507 473 R N -0.084 120.514 120.500 0.164 0.000 2.092 473 R HA -0.179 4.169 4.340 0.013 0.000 0.231 473 R C 1.995 178.293 176.300 -0.003 0.000 1.119 473 R CA 1.793 57.917 56.100 0.042 0.000 0.970 473 R CB -1.498 28.907 30.300 0.175 0.000 0.864 473 R HN 0.646 nan 8.270 nan 0.000 0.440 474 W N 0.532 121.790 121.300 -0.071 0.000 2.335 474 W HA -0.151 4.517 4.660 0.014 0.000 0.311 474 W C 1.630 178.060 176.519 -0.148 0.000 1.213 474 W CA 2.048 59.339 57.345 -0.090 0.000 1.274 474 W CB -0.275 29.136 29.460 -0.082 0.000 1.148 474 W HN 0.076 nan 8.180 nan 0.000 0.498 475 I N 0.794 121.356 120.570 -0.012 0.000 2.179 475 I HA -0.339 3.839 4.170 0.013 0.000 0.242 475 I C 2.417 178.339 176.117 -0.326 0.000 1.088 475 I CA 1.342 62.494 61.300 -0.247 0.000 1.357 475 I CB -0.737 37.186 38.000 -0.127 0.000 1.051 475 I HN -0.124 nan 8.210 nan 0.000 0.409 476 K N 0.309 120.523 120.400 -0.309 0.000 2.152 476 K HA -0.162 4.166 4.320 0.013 0.000 0.206 476 K C 2.251 178.718 176.600 -0.222 0.000 1.048 476 K CA 1.418 57.546 56.287 -0.265 0.000 0.933 476 K CB -0.499 31.798 32.500 -0.338 0.000 0.721 476 K HN 0.265 nan 8.250 nan 0.000 0.447 477 S N 0.312 115.842 115.700 -0.284 0.000 2.388 477 S HA -0.038 4.440 4.470 0.013 0.000 0.223 477 S C 2.012 176.399 174.600 -0.355 0.000 1.034 477 S CA 0.603 58.638 58.200 -0.275 0.000 0.963 477 S CB 0.058 63.094 63.200 -0.273 0.000 0.827 477 S HN 0.022 nan 8.310 nan 0.000 0.481 478 V N 1.108 120.669 119.914 -0.589 0.000 2.488 478 V HA 0.087 4.215 4.120 0.013 0.000 0.246 478 V C 0.503 176.367 176.094 -0.384 0.000 1.046 478 V CA 1.523 63.447 62.300 -0.626 0.000 1.053 478 V CB -0.290 30.806 31.823 -1.212 0.000 0.679 478 V HN 0.553 nan 8.190 nan 0.000 0.458 479 D N -1.270 118.954 120.400 -0.294 0.000 2.330 479 D HA 0.278 4.926 4.640 0.013 0.000 0.249 479 D C -2.376 173.912 176.300 -0.019 0.000 1.306 479 D CA -1.611 52.328 54.000 -0.102 0.000 0.956 479 D CB 1.748 42.563 40.800 0.025 0.000 1.261 479 D HN 0.074 nan 8.370 nan 0.000 0.544 480 P HA 0.005 nan 4.420 nan 0.000 0.245 480 P C 1.082 178.401 177.300 0.032 0.000 1.212 480 P CA 0.400 63.494 63.100 -0.009 0.000 0.774 480 P CB 0.269 31.955 31.700 -0.024 0.000 0.999 481 S N -1.328 114.401 115.700 0.048 0.000 2.522 481 S HA 0.073 4.551 4.470 0.013 0.000 0.227 481 S C 0.852 175.483 174.600 0.051 0.000 0.986 481 S CA 0.004 58.237 58.200 0.055 0.000 0.929 481 S CB -0.339 62.888 63.200 0.045 0.000 0.769 481 S HN 0.054 nan 8.310 nan 0.000 0.529 482 R N 1.208 121.754 120.500 0.077 0.000 2.628 482 R HA 0.551 4.899 4.340 0.013 0.000 0.288 482 R C -3.229 173.129 176.300 0.097 0.000 0.980 482 R CA -2.258 53.857 56.100 0.025 0.000 0.891 482 R CB 1.483 31.680 30.300 -0.172 0.000 1.188 482 R HN 0.152 nan 8.270 nan 0.000 0.450 483 P HA 0.112 nan 4.420 nan 0.000 0.272 483 P C -0.842 176.562 177.300 0.173 0.000 1.230 483 P CA -0.430 62.734 63.100 0.107 0.000 0.788 483 P CB 0.711 32.458 31.700 0.078 0.000 0.949 484 V N 2.061 122.106 119.914 0.218 0.000 2.495 484 V HA 0.441 4.569 4.120 0.013 0.000 0.298 484 V C 0.082 176.360 176.094 0.306 0.000 1.031 484 V CA -0.357 62.119 62.300 0.294 0.000 0.871 484 V CB 1.220 33.194 31.823 0.251 0.000 0.988 484 V HN 0.616 nan 8.190 nan 0.000 0.432 485 Q N 3.684 123.644 119.800 0.267 0.000 2.451 485 Q HA 0.824 5.172 4.340 0.013 0.000 0.281 485 Q C -1.849 174.307 176.000 0.260 0.000 1.099 485 Q CA -0.958 54.968 55.803 0.204 0.000 0.806 485 Q CB 3.030 31.835 28.738 0.113 0.000 1.419 485 Q HN 0.648 nan 8.270 nan 0.000 0.427 486 Y N 0.123 120.431 120.300 0.013 0.000 2.357 486 Y HA 0.148 4.705 4.550 0.012 0.000 0.319 486 Y C -0.600 175.238 175.900 -0.103 0.000 1.225 486 Y CA -0.713 57.361 58.100 -0.043 0.000 1.095 486 Y CB 2.026 40.444 38.460 -0.069 0.000 1.302 486 Y HN 0.948 nan 8.280 nan 0.000 0.429 487 E N 3.382 123.109 120.200 -0.787 0.000 2.318 487 E HA 0.138 4.496 4.350 0.013 0.000 0.193 487 E C 0.664 176.832 176.600 -0.720 0.000 0.998 487 E CA 0.709 56.749 56.400 -0.599 0.000 0.859 487 E CB 0.263 29.743 29.700 -0.367 0.000 0.812 487 E HN 0.890 nan 8.360 nan 0.000 0.492 488 G N -0.096 107.875 108.800 -1.382 0.000 2.474 488 G HA2 0.224 4.192 3.960 0.013 0.000 0.233 488 G HA3 0.224 4.192 3.960 0.013 0.000 0.233 488 G C 0.808 175.566 174.900 -0.238 0.000 1.278 488 G CA 0.304 45.001 45.100 -0.672 0.000 0.861 488 G HN 0.333 nan 8.290 nan 0.000 0.567 489 G N -0.322 108.446 108.800 -0.053 0.000 2.147 489 G HA2 0.235 4.202 3.960 0.013 0.000 0.244 489 G HA3 0.235 4.202 3.960 0.013 0.000 0.244 489 G C 1.239 176.157 174.900 0.030 0.000 1.005 489 G CA 0.964 46.095 45.100 0.051 0.000 0.713 489 G HN 2.626 nan 8.290 nan 0.000 0.515 490 G N -1.540 107.270 108.800 0.017 0.000 2.205 490 G HA2 0.438 4.406 3.960 0.013 0.000 0.180 490 G HA3 0.438 4.406 3.960 0.013 0.000 0.180 490 G C 1.094 176.118 174.900 0.207 0.000 1.004 490 G CA 1.270 46.444 45.100 0.123 0.000 0.670 490 G HN 2.325 nan 8.290 nan 0.000 0.496 491 A N -0.163 122.660 122.820 0.004 0.000 3.413 491 A HA -0.158 4.170 4.320 0.013 0.000 0.268 491 A C 1.173 178.686 177.584 -0.118 0.000 1.128 491 A CA 2.720 54.695 52.037 -0.104 0.000 1.062 491 A CB -1.731 17.183 19.000 -0.144 0.000 1.121 491 A HN 2.100 nan 8.150 nan 0.000 0.895 492 D N -1.003 119.412 120.400 0.025 0.000 2.692 492 D HA 0.294 4.942 4.640 0.013 0.000 0.290 492 D C 0.463 176.765 176.300 0.003 0.000 1.455 492 D CA 0.855 54.872 54.000 0.029 0.000 0.796 492 D CB -1.206 39.732 40.800 0.231 0.000 1.131 492 D HN 0.810 nan 8.370 nan 0.000 0.467 493 T N -2.113 112.380 114.554 -0.103 0.000 2.652 493 T HA 0.144 4.502 4.350 0.013 0.000 0.319 493 T C 1.543 176.133 174.700 -0.184 0.000 1.029 493 T CA 0.608 62.590 62.100 -0.197 0.000 0.990 493 T CB 0.480 68.972 68.868 -0.626 0.000 1.098 493 T HN 0.097 nan 8.240 nan 0.000 0.520 494 T N -2.805 111.647 114.554 -0.169 0.000 3.148 494 T HA 0.343 4.701 4.350 0.013 0.000 0.253 494 T C 1.329 175.790 174.700 -0.398 0.000 1.134 494 T CA 0.087 62.090 62.100 -0.163 0.000 1.051 494 T CB -0.405 68.450 68.868 -0.022 0.000 0.959 494 T HN 0.831 nan 8.240 nan 0.000 0.525 495 A N 0.471 123.054 122.820 -0.394 0.000 2.500 495 A HA 0.551 4.879 4.320 0.013 0.000 0.267 495 A C 0.696 178.107 177.584 -0.288 0.000 1.290 495 A CA -0.394 51.360 52.037 -0.473 0.000 0.928 495 A CB 0.196 19.166 19.000 -0.050 0.000 1.066 495 A HN 0.413 nan 8.150 nan 0.000 0.516 496 T N -1.270 113.130 114.554 -0.256 0.000 2.952 496 T HA 0.355 4.713 4.350 0.013 0.000 0.305 496 T C -0.719 174.001 174.700 0.034 0.000 1.064 496 T CA -0.436 61.667 62.100 0.004 0.000 1.008 496 T CB 1.214 70.074 68.868 -0.013 0.000 1.078 496 T HN 0.100 nan 8.240 nan 0.000 0.459 497 D N 3.010 123.509 120.400 0.164 0.000 2.349 497 D HA 0.258 4.906 4.640 0.013 0.000 0.215 497 D C 0.366 176.697 176.300 0.053 0.000 1.016 497 D CA 0.629 54.711 54.000 0.136 0.000 0.870 497 D CB 0.556 41.468 40.800 0.187 0.000 0.917 497 D HN 0.529 nan 8.370 nan 0.000 0.524 498 I N 0.980 121.563 120.570 0.021 0.000 2.582 498 I HA 0.250 4.428 4.170 0.013 0.000 0.292 498 I C -0.179 175.873 176.117 -0.108 0.000 1.066 498 I CA -0.880 60.398 61.300 -0.037 0.000 1.053 498 I CB 2.902 40.891 38.000 -0.019 0.000 1.241 498 I HN -0.359 nan 8.210 nan 0.000 0.421 499 I N 5.728 126.187 120.570 -0.185 0.000 2.494 499 I HA 0.036 4.214 4.170 0.013 0.000 0.289 499 I C 0.210 176.120 176.117 -0.346 0.000 1.106 499 I CA 0.017 61.108 61.300 -0.349 0.000 1.369 499 I CB 0.082 37.770 38.000 -0.519 0.000 1.410 499 I HN 0.673 nan 8.210 nan 0.000 0.523 500 C N 6.000 125.117 119.300 -0.306 0.000 3.094 500 C HA 0.462 4.930 4.460 0.013 0.000 0.262 500 C C -1.954 172.900 174.990 -0.225 0.000 1.459 500 C CA -2.368 56.520 59.018 -0.218 0.000 1.570 500 C CB -1.017 26.653 27.740 -0.117 0.000 2.056 500 C HN 0.433 nan 8.230 nan 0.000 0.499 501 P HA 0.195 nan 4.420 nan 0.000 0.271 501 P C -0.568 176.694 177.300 -0.064 0.000 1.233 501 P CA 0.525 63.529 63.100 -0.159 0.000 0.789 501 P CB 0.830 32.429 31.700 -0.167 0.000 0.951 502 M N 1.608 121.212 119.600 0.007 0.000 2.114 502 M HA 0.242 4.730 4.480 0.013 0.000 0.332 502 M C -0.328 176.027 176.300 0.091 0.000 1.014 502 M CA -0.429 54.810 55.300 -0.103 0.000 0.956 502 M CB 0.792 33.394 32.600 0.003 0.000 1.551 502 M HN 0.380 nan 8.290 nan 0.000 0.427 503 Y N -0.380 120.092 120.300 0.288 0.000 4.409 503 Y HA -0.252 4.307 4.550 0.014 0.000 0.228 503 Y C 0.700 176.783 175.900 0.304 0.000 1.108 503 Y CA 0.344 58.622 58.100 0.297 0.000 1.955 503 Y CB -2.253 36.359 38.460 0.254 0.000 1.615 503 Y HN 0.810 nan 8.280 nan 0.000 0.665 504 A N 1.093 124.133 122.820 0.367 0.000 2.462 504 A HA 0.521 4.849 4.320 0.013 0.000 0.243 504 A C 0.753 178.560 177.584 0.372 0.000 1.076 504 A CA -0.340 51.921 52.037 0.373 0.000 0.773 504 A CB 0.362 19.628 19.000 0.444 0.000 1.010 504 A HN 0.427 nan 8.150 nan 0.000 0.493 505 R N 1.471 122.121 120.500 0.249 0.000 2.546 505 R HA 0.352 4.700 4.340 0.013 0.000 0.266 505 R C 1.066 177.340 176.300 -0.043 0.000 1.086 505 R CA -0.762 55.413 56.100 0.125 0.000 1.160 505 R CB 0.669 31.009 30.300 0.066 0.000 1.138 505 R HN 0.483 nan 8.270 nan 0.000 0.567 506 V N 0.772 120.492 119.914 -0.325 0.000 2.237 506 V HA -0.234 3.894 4.120 0.013 0.000 0.245 506 V C 0.996 176.972 176.094 -0.197 0.000 1.046 506 V CA 1.937 64.013 62.300 -0.374 0.000 1.007 506 V CB -0.272 31.213 31.823 -0.564 0.000 0.638 506 V HN 0.768 nan 8.190 nan 0.000 0.445 507 D N -1.465 118.851 120.400 -0.141 0.000 2.454 507 D HA 0.092 4.740 4.640 0.013 0.000 0.219 507 D C 0.945 177.226 176.300 -0.033 0.000 1.081 507 D CA 0.028 53.981 54.000 -0.079 0.000 0.867 507 D CB 0.599 41.356 40.800 -0.072 0.000 1.054 507 D HN 0.529 nan 8.370 nan 0.000 0.500 508 E N 2.017 122.201 120.200 -0.027 0.000 2.229 508 E HA 0.099 4.457 4.350 0.013 0.000 0.283 508 E C -0.758 175.839 176.600 -0.005 0.000 1.030 508 E CA -0.558 55.835 56.400 -0.011 0.000 0.836 508 E CB 0.880 30.574 29.700 -0.009 0.000 1.068 508 E HN -0.199 nan 8.360 nan 0.000 0.401 509 D N 3.762 124.159 120.400 -0.004 0.000 2.313 509 D HA 0.125 4.773 4.640 0.013 0.000 0.247 509 D C -0.532 175.660 176.300 -0.181 0.000 1.094 509 D CA 0.159 54.148 54.000 -0.019 0.000 0.925 509 D CB 1.220 42.083 40.800 0.105 0.000 1.188 509 D HN 0.453 nan 8.370 nan 0.000 0.430 510 Q N 1.229 120.799 119.800 -0.383 0.000 3.244 510 Q HA 0.214 4.562 4.340 0.013 0.000 0.249 510 Q C -2.198 173.181 176.000 -1.034 0.000 0.951 510 Q CA -1.418 53.952 55.803 -0.723 0.000 0.740 510 Q CB 2.199 30.500 28.738 -0.728 0.000 1.334 510 Q HN 0.198 nan 8.270 nan 0.000 0.448 511 P HA -0.068 nan 4.420 nan 0.000 0.246 511 P C -0.647 176.348 177.300 -0.507 0.000 1.675 511 P CA 0.037 62.715 63.100 -0.703 0.000 0.908 511 P CB -0.550 30.946 31.700 -0.340 0.000 1.890 512 F N 2.818 122.594 119.950 -0.291 0.000 2.602 512 F HA 0.115 4.650 4.527 0.013 0.000 0.367 512 F C -0.957 174.735 175.800 -0.179 0.000 1.126 512 F CA -2.297 55.593 58.000 -0.183 0.000 1.321 512 F CB -1.013 37.901 39.000 -0.143 0.000 1.094 512 F HN 0.131 nan 8.300 nan 0.000 0.594 513 P HA 0.145 nan 4.420 nan 0.000 0.269 513 P C 0.303 177.617 177.300 0.024 0.000 1.209 513 P CA 0.992 64.106 63.100 0.023 0.000 0.776 513 P CB 1.282 32.998 31.700 0.027 0.000 0.876 514 A N 2.648 125.476 122.820 0.014 0.000 1.691 514 A HA -0.268 4.060 4.320 0.013 0.000 0.227 514 A C 0.860 178.456 177.584 0.021 0.000 0.423 514 A CA 2.183 54.236 52.037 0.026 0.000 1.102 514 A CB -2.831 16.186 19.000 0.029 0.000 1.455 514 A HN 0.708 nan 8.150 nan 0.000 0.714 515 V N -2.512 117.410 119.914 0.013 0.000 2.446 515 V HA 0.573 4.701 4.120 0.013 0.000 0.257 515 V C -2.108 173.973 176.094 -0.021 0.000 1.036 515 V CA -1.250 61.059 62.300 0.014 0.000 1.196 515 V CB 0.483 32.325 31.823 0.033 0.000 1.446 515 V HN 0.596 nan 8.190 nan 0.000 0.558 516 P HA 0.259 nan 4.420 nan 0.000 0.272 516 P C -0.661 176.194 177.300 -0.741 0.000 1.223 516 P CA 0.014 62.724 63.100 -0.650 0.000 0.784 516 P CB 1.114 32.013 31.700 -1.335 0.000 0.923 517 K N 2.529 122.568 120.400 -0.601 0.000 2.419 517 K HA 0.207 4.535 4.320 0.013 0.000 0.244 517 K C -0.350 175.981 176.600 -0.449 0.000 1.045 517 K CA -0.280 55.841 56.287 -0.277 0.000 1.004 517 K CB 0.382 32.969 32.500 0.144 0.000 1.376 517 K HN 0.475 nan 8.250 nan 0.000 0.460 518 W N 1.282 122.235 121.300 -0.579 0.000 2.126 518 W HA 0.048 4.717 4.660 0.016 0.000 0.346 518 W C 1.334 177.841 176.519 -0.020 0.000 1.279 518 W CA -0.484 56.621 57.345 -0.400 0.000 1.259 518 W CB 0.462 29.495 29.460 -0.712 0.000 1.133 518 W HN 0.361 nan 8.180 nan 0.000 0.592 519 S N 1.930 117.781 115.700 0.251 0.000 2.552 519 S HA -0.071 4.407 4.470 0.013 0.000 0.289 519 S C 1.016 175.760 174.600 0.239 0.000 1.304 519 S CA -0.341 57.954 58.200 0.157 0.000 1.063 519 S CB 0.270 63.509 63.200 0.064 0.000 0.848 519 S HN 0.419 nan 8.310 nan 0.000 0.499 520 I N 3.838 124.518 120.570 0.183 0.000 2.361 520 I HA -0.037 4.141 4.170 0.013 0.000 0.251 520 I C 1.985 178.135 176.117 0.055 0.000 1.133 520 I CA 1.244 62.656 61.300 0.187 0.000 1.413 520 I CB -0.836 37.215 38.000 0.085 0.000 1.073 520 I HN 0.654 nan 8.210 nan 0.000 0.424 521 K N 1.189 121.518 120.400 -0.118 0.000 2.097 521 K HA -0.174 4.154 4.320 0.013 0.000 0.206 521 K C 2.219 178.831 176.600 0.021 0.000 1.049 521 K CA 1.669 57.810 56.287 -0.243 0.000 0.933 521 K CB -0.276 31.997 32.500 -0.379 0.000 0.717 521 K HN 0.468 nan 8.250 nan 0.000 0.442 522 K N 0.201 120.630 120.400 0.047 0.000 2.062 522 K HA -0.161 4.167 4.320 0.013 0.000 0.205 522 K C 1.923 178.561 176.600 0.062 0.000 1.051 522 K CA 0.795 57.097 56.287 0.025 0.000 0.941 522 K CB -0.072 32.408 32.500 -0.032 0.000 0.719 522 K HN 0.196 nan 8.250 nan 0.000 0.440 523 W N 2.148 123.446 121.300 -0.003 0.000 2.318 523 W HA -0.216 4.449 4.660 0.009 0.000 0.313 523 W C 1.674 178.188 176.519 -0.008 0.000 1.221 523 W CA 1.264 58.623 57.345 0.024 0.000 1.266 523 W CB -0.728 28.810 29.460 0.131 0.000 1.150 523 W HN 0.107 nan 8.180 nan 0.000 0.496 524 L N 0.737 122.128 121.223 0.280 0.000 2.081 524 L HA -0.273 4.075 4.340 0.013 0.000 0.212 524 L C 2.213 179.155 176.870 0.120 0.000 1.080 524 L CA 2.112 57.047 54.840 0.158 0.000 0.754 524 L CB -1.034 41.107 42.059 0.137 0.000 0.893 524 L HN -0.013 nan 8.230 nan 0.000 0.433 525 S N -1.413 114.343 115.700 0.094 0.000 2.572 525 S HA 0.262 4.740 4.470 0.013 0.000 0.228 525 S C 0.546 175.141 174.600 -0.009 0.000 0.963 525 S CA -0.522 57.702 58.200 0.040 0.000 0.939 525 S CB -0.452 62.768 63.200 0.033 0.000 0.804 525 S HN 0.153 nan 8.310 nan 0.000 0.480 526 L N 3.083 124.295 121.223 -0.018 0.000 2.514 526 L HA 0.191 4.539 4.340 0.013 0.000 0.280 526 L C -1.871 174.973 176.870 -0.044 0.000 1.223 526 L CA -1.540 53.241 54.840 -0.098 0.000 0.864 526 L CB -0.169 41.812 42.059 -0.131 0.000 1.118 526 L HN 0.098 nan 8.230 nan 0.000 0.494 527 P HA -0.079 nan 4.420 nan 0.000 0.260 527 P C 0.777 178.073 177.300 -0.006 0.000 1.172 527 P CA 1.057 64.137 63.100 -0.033 0.000 0.760 527 P CB 0.623 32.297 31.700 -0.044 0.000 0.773 528 G N 2.041 110.844 108.800 0.005 0.000 2.253 528 G HA2 -0.268 3.700 3.960 0.013 0.000 0.251 528 G HA3 -0.268 3.700 3.960 0.013 0.000 0.251 528 G C 0.207 175.126 174.900 0.031 0.000 0.998 528 G CA 0.318 45.428 45.100 0.018 0.000 0.621 528 G HN 0.677 nan 8.290 nan 0.000 0.524 529 E N 1.189 121.414 120.200 0.041 0.000 2.316 529 E HA 0.585 4.943 4.350 0.013 0.000 0.275 529 E C 1.344 177.970 176.600 0.044 0.000 1.029 529 E CA 0.768 57.204 56.400 0.060 0.000 0.871 529 E CB 0.804 30.568 29.700 0.105 0.000 1.022 529 E HN 0.567 nan 8.360 nan 0.000 0.418 530 T N 0.585 115.161 114.554 0.037 0.000 3.080 530 T HA 0.311 4.669 4.350 0.013 0.000 0.280 530 T C 0.518 175.228 174.700 0.016 0.000 0.926 530 T CA -0.472 61.643 62.100 0.026 0.000 0.883 530 T CB 0.073 68.955 68.868 0.023 0.000 1.194 530 T HN 0.258 nan 8.240 nan 0.000 0.541 531 R N 2.697 123.203 120.500 0.011 0.000 2.679 531 R HA 0.409 4.757 4.340 0.013 0.000 0.269 531 R C -2.440 173.841 176.300 -0.032 0.000 1.076 531 R CA -1.709 54.386 56.100 -0.008 0.000 1.160 531 R CB 0.101 30.390 30.300 -0.018 0.000 1.054 531 R HN 0.274 nan 8.270 nan 0.000 0.507 532 P HA 0.059 nan 4.420 nan 0.000 0.274 532 P C -1.024 176.208 177.300 -0.113 0.000 1.237 532 P CA -0.086 62.973 63.100 -0.067 0.000 0.793 532 P CB 0.816 32.478 31.700 -0.063 0.000 0.977 533 L N 3.009 124.147 121.223 -0.142 0.000 2.349 533 L HA 0.564 4.912 4.340 0.013 0.000 0.278 533 L C -0.929 175.800 176.870 -0.235 0.000 0.996 533 L CA -0.741 53.976 54.840 -0.204 0.000 0.825 533 L CB 0.601 42.535 42.059 -0.208 0.000 1.243 533 L HN 0.251 nan 8.230 nan 0.000 0.412 534 I N 5.804 126.239 120.570 -0.226 0.000 2.500 534 I HA 0.253 4.431 4.170 0.013 0.000 0.286 534 I C -0.731 175.286 176.117 -0.166 0.000 1.063 534 I CA -0.591 60.560 61.300 -0.248 0.000 1.062 534 I CB 1.965 39.872 38.000 -0.154 0.000 1.223 534 I HN 0.477 nan 8.210 nan 0.000 0.435 535 L N 5.486 126.579 121.223 -0.215 0.000 2.462 535 L HA 0.027 4.375 4.340 0.013 0.000 0.272 535 L C 1.459 178.395 176.870 0.110 0.000 1.166 535 L CA -0.139 54.640 54.840 -0.102 0.000 0.880 535 L CB 0.571 42.535 42.059 -0.158 0.000 1.142 535 L HN 0.855 nan 8.230 nan 0.000 0.473 536 C N 0.065 119.424 119.300 0.100 0.000 2.514 536 C HA 0.209 4.677 4.460 0.013 0.000 0.271 536 C C 0.593 175.728 174.990 0.242 0.000 1.399 536 C CA -0.330 58.800 59.018 0.187 0.000 1.765 536 C CB -1.141 26.615 27.740 0.026 0.000 1.893 536 C HN 0.828 nan 8.230 nan 0.000 0.531 537 E N -0.726 119.552 120.200 0.130 0.000 2.343 537 E HA 0.566 4.924 4.350 0.013 0.000 0.286 537 E C -1.417 175.072 176.600 -0.184 0.000 0.915 537 E CA -0.358 56.077 56.400 0.059 0.000 0.784 537 E CB 1.962 31.589 29.700 -0.122 0.000 1.251 537 E HN 0.650 nan 8.360 nan 0.000 0.407 538 Y N -0.742 119.465 120.300 -0.156 0.000 2.713 538 Y HA 0.611 5.170 4.550 0.015 0.000 0.335 538 Y C -0.742 175.282 175.900 0.207 0.000 1.222 538 Y CA -0.687 57.340 58.100 -0.122 0.000 1.061 538 Y CB 0.812 39.089 38.460 -0.305 0.000 1.314 538 Y HN 0.639 nan 8.280 nan 0.000 0.453 539 A N 1.972 124.825 122.820 0.056 0.000 2.416 539 A HA -0.267 4.061 4.320 0.013 0.000 0.293 539 A C -0.318 177.395 177.584 0.214 0.000 1.452 539 A CA 1.073 53.162 52.037 0.087 0.000 0.738 539 A CB -2.510 16.433 19.000 -0.095 0.000 1.123 539 A HN 1.112 nan 8.150 nan 0.000 0.389 540 H N 0.642 119.890 119.070 0.297 0.000 3.226 540 H HA 0.230 4.794 4.556 0.013 0.000 0.260 540 H C 1.161 176.564 175.328 0.125 0.000 0.967 540 H CA 0.875 57.100 56.048 0.296 0.000 1.435 540 H CB 0.334 30.166 29.762 0.117 0.000 1.533 540 H HN 0.800 nan 8.280 nan 0.000 0.525 541 A N 6.628 129.383 122.820 -0.109 0.000 2.728 541 A HA 0.049 4.377 4.320 0.013 0.000 0.258 541 A C 0.932 178.405 177.584 -0.185 0.000 1.454 541 A CA -0.359 51.588 52.037 -0.150 0.000 1.146 541 A CB -0.646 18.237 19.000 -0.196 0.000 0.985 541 A HN 0.794 nan 8.150 nan 0.000 0.603 542 M N 1.372 120.876 119.600 -0.159 0.000 2.143 542 M HA 0.435 4.923 4.480 0.013 0.000 0.348 542 M C 1.059 177.289 176.300 -0.117 0.000 1.375 542 M CA 1.230 56.467 55.300 -0.106 0.000 1.124 542 M CB -0.128 32.517 32.600 0.074 0.000 1.669 542 M HN 0.807 nan 8.290 nan 0.000 0.469 543 G N 4.356 113.063 108.800 -0.154 0.000 2.574 543 G HA2 -0.349 3.619 3.960 0.013 0.000 0.286 543 G HA3 -0.349 3.619 3.960 0.013 0.000 0.286 543 G C -0.103 174.368 174.900 -0.715 0.000 1.212 543 G CA 0.096 44.938 45.100 -0.431 0.000 0.979 543 G HN 0.839 nan 8.290 nan 0.000 0.557 544 N N 1.415 119.509 118.700 -1.010 0.000 2.434 544 N HA 0.457 5.205 4.740 0.013 0.000 0.273 544 N C 0.035 175.319 175.510 -0.376 0.000 1.210 544 N CA 1.132 53.738 53.050 -0.740 0.000 0.992 544 N CB 0.392 38.470 38.487 -0.682 0.000 1.355 544 N HN 0.765 nan 8.380 nan 0.000 0.495 545 S N 1.987 117.550 115.700 -0.228 0.000 2.998 545 S HA 0.602 5.080 4.470 0.013 0.000 0.321 545 S C -0.109 174.439 174.600 -0.087 0.000 1.171 545 S CA -0.379 57.739 58.200 -0.137 0.000 0.882 545 S CB 0.201 63.352 63.200 -0.082 0.000 1.301 545 S HN 0.376 nan 8.310 nan 0.000 0.629 546 L N 0.189 121.395 121.223 -0.029 0.000 4.406 546 L HA -0.051 4.297 4.340 0.013 0.000 0.406 546 L C 0.435 177.357 176.870 0.087 0.000 1.133 546 L CA 0.875 55.726 54.840 0.018 0.000 0.974 546 L CB -1.731 40.247 42.059 -0.135 0.000 2.152 546 L HN 0.713 nan 8.230 nan 0.000 0.736 547 G N -0.813 108.006 108.800 0.032 0.000 2.398 547 G HA2 0.490 4.458 3.960 0.013 0.000 0.246 547 G HA3 0.490 4.458 3.960 0.013 0.000 0.246 547 G C 1.202 176.152 174.900 0.084 0.000 1.289 547 G CA 0.136 45.228 45.100 -0.013 0.000 0.869 547 G HN 1.430 nan 8.290 nan 0.000 0.543 548 G N 1.383 110.224 108.800 0.068 0.000 2.143 548 G HA2 -0.315 3.652 3.960 0.013 0.000 0.249 548 G HA3 -0.315 3.652 3.960 0.013 0.000 0.249 548 G C 0.933 176.019 174.900 0.311 0.000 0.981 548 G CA 0.747 45.947 45.100 0.167 0.000 0.665 548 G HN 0.784 nan 8.290 nan 0.000 0.528 549 F N 1.611 121.684 119.950 0.206 0.000 2.171 549 F HA 0.192 4.728 4.527 0.014 0.000 0.300 549 F C 2.618 178.630 175.800 0.353 0.000 1.090 549 F CA 2.317 60.512 58.000 0.324 0.000 1.293 549 F CB -0.374 38.756 39.000 0.217 0.000 1.013 549 F HN 0.327 nan 8.300 nan 0.000 0.486 550 A N -0.244 122.751 122.820 0.292 0.000 2.019 550 A HA -0.232 4.096 4.320 0.013 0.000 0.219 550 A C 2.279 179.892 177.584 0.048 0.000 1.164 550 A CA 1.711 53.850 52.037 0.170 0.000 0.644 550 A CB -0.799 18.306 19.000 0.175 0.000 0.805 550 A HN 0.449 nan 8.150 nan 0.000 0.449 551 K N -1.748 118.661 120.400 0.016 0.000 2.148 551 K HA -0.167 4.161 4.320 0.013 0.000 0.204 551 K C 1.648 178.025 176.600 -0.372 0.000 1.050 551 K CA 1.465 57.672 56.287 -0.133 0.000 0.942 551 K CB -0.288 32.135 32.500 -0.127 0.000 0.724 551 K HN 0.536 nan 8.250 nan 0.000 0.446 552 Y N -0.806 119.223 120.300 -0.452 0.000 2.163 552 Y HA -0.193 4.364 4.550 0.012 0.000 0.288 552 Y C 1.842 176.753 175.900 -1.647 0.000 1.136 552 Y CA 1.540 59.008 58.100 -1.054 0.000 1.147 552 Y CB -0.369 37.472 38.460 -1.031 0.000 0.987 552 Y HN 0.153 nan 8.280 nan 0.000 0.509 553 W N -0.064 120.787 121.300 -0.749 0.000 2.425 553 W HA -0.152 4.517 4.660 0.015 0.000 0.277 553 W C 2.541 178.891 176.519 -0.283 0.000 1.231 553 W CA 1.248 58.302 57.345 -0.485 0.000 1.248 553 W CB -0.377 28.898 29.460 -0.308 0.000 1.117 553 W HN 0.050 nan 8.180 nan 0.000 0.568 554 Q N 0.706 120.420 119.800 -0.143 0.000 2.119 554 Q HA -0.122 4.226 4.340 0.013 0.000 0.201 554 Q C 2.179 178.120 176.000 -0.100 0.000 0.972 554 Q CA 1.894 57.656 55.803 -0.069 0.000 0.847 554 Q CB -0.472 28.236 28.738 -0.050 0.000 0.903 554 Q HN 0.266 nan 8.270 nan 0.000 0.433 555 A N 0.059 122.725 122.820 -0.256 0.000 1.897 555 A HA -0.102 4.226 4.320 0.013 0.000 0.215 555 A C 1.801 179.338 177.584 -0.079 0.000 1.181 555 A CA 0.944 52.848 52.037 -0.222 0.000 0.620 555 A CB -0.727 18.013 19.000 -0.432 0.000 0.821 555 A HN 0.343 nan 8.150 nan 0.000 0.443 556 F N 0.352 120.125 119.950 -0.295 0.000 2.126 556 F HA -0.129 4.405 4.527 0.013 0.000 0.299 556 F C 2.509 178.205 175.800 -0.173 0.000 1.096 556 F CA 1.279 59.069 58.000 -0.351 0.000 1.255 556 F CB -0.806 37.766 39.000 -0.713 0.000 0.997 556 F HN 0.185 nan 8.300 nan 0.000 0.479 557 R N -0.340 120.213 120.500 0.087 0.000 2.115 557 R HA -0.128 4.220 4.340 0.013 0.000 0.226 557 R C 2.147 178.483 176.300 0.059 0.000 1.100 557 R CA 1.075 57.210 56.100 0.059 0.000 0.980 557 R CB -0.434 29.897 30.300 0.052 0.000 0.875 557 R HN 0.376 nan 8.270 nan 0.000 0.445 558 Q N -0.191 119.675 119.800 0.109 0.000 2.187 558 Q HA -0.058 4.290 4.340 0.013 0.000 0.199 558 Q C -0.442 175.614 176.000 0.093 0.000 0.957 558 Q CA 0.893 56.762 55.803 0.109 0.000 0.857 558 Q CB 0.372 29.209 28.738 0.165 0.000 0.929 558 Q HN 0.183 nan 8.270 nan 0.000 0.453 559 Y N 0.394 120.674 120.300 -0.033 0.000 2.385 559 Y HA 0.262 4.819 4.550 0.012 0.000 0.341 559 Y C -1.785 174.087 175.900 -0.046 0.000 0.965 559 Y CA -2.867 55.213 58.100 -0.033 0.000 1.180 559 Y CB 1.273 39.719 38.460 -0.024 0.000 1.139 559 Y HN 0.139 nan 8.280 nan 0.000 0.502 560 P HA -0.198 nan 4.420 nan 0.000 0.216 560 P C 1.162 178.459 177.300 -0.005 0.000 1.157 560 P CA 1.949 65.045 63.100 -0.006 0.000 0.880 560 P CB 0.299 31.981 31.700 -0.031 0.000 0.791 561 R N -1.210 119.305 120.500 0.026 0.000 2.307 561 R HA 0.087 4.435 4.340 0.013 0.000 0.199 561 R C 0.423 176.705 176.300 -0.030 0.000 1.000 561 R CA 0.157 56.257 56.100 -0.000 0.000 1.023 561 R CB -0.485 29.827 30.300 0.020 0.000 0.908 561 R HN 0.250 nan 8.270 nan 0.000 0.473 562 L N 1.974 123.195 121.223 -0.002 0.000 2.302 562 L HA 0.146 4.494 4.340 0.013 0.000 0.285 562 L C 0.386 177.118 176.870 -0.230 0.000 1.090 562 L CA 0.087 54.880 54.840 -0.079 0.000 0.866 562 L CB 1.165 43.242 42.059 0.030 0.000 1.244 562 L HN 0.064 nan 8.230 nan 0.000 0.435 563 Q N 2.927 122.518 119.800 -0.349 0.000 2.237 563 Q HA 0.325 4.673 4.340 0.013 0.000 0.252 563 Q C 0.837 176.397 176.000 -0.733 0.000 0.877 563 Q CA 0.046 55.588 55.803 -0.435 0.000 1.011 563 Q CB 0.955 29.529 28.738 -0.273 0.000 1.118 563 Q HN 0.926 nan 8.270 nan 0.000 0.458 564 G N -0.302 107.656 108.800 -1.402 0.000 2.451 564 G HA2 0.075 4.043 3.960 0.013 0.000 0.208 564 G HA3 0.075 4.043 3.960 0.013 0.000 0.208 564 G C -0.219 173.838 174.900 -1.406 0.000 1.248 564 G CA -0.738 43.174 45.100 -1.979 0.000 0.989 564 G HN 0.650 nan 8.290 nan 0.000 0.559 565 G N -2.396 105.837 108.800 -0.945 0.000 2.320 565 G HA2 0.638 4.606 3.960 0.013 0.000 0.296 565 G HA3 0.638 4.606 3.960 0.013 0.000 0.296 565 G C -1.780 172.992 174.900 -0.214 0.000 1.306 565 G CA -0.197 44.586 45.100 -0.530 0.000 0.836 565 G HN 1.205 nan 8.290 nan 0.000 0.517 566 F N 0.684 120.837 119.950 0.339 0.000 2.427 566 F HA 0.530 5.064 4.527 0.012 0.000 0.348 566 F C 0.772 176.829 175.800 0.430 0.000 1.125 566 F CA -0.805 57.430 58.000 0.392 0.000 0.989 566 F CB 1.985 41.117 39.000 0.219 0.000 1.165 566 F HN 0.251 nan 8.300 nan 0.000 0.442 567 V N 3.297 123.484 119.914 0.454 0.000 2.763 567 V HA -0.149 3.979 4.120 0.013 0.000 0.306 567 V C -0.268 175.946 176.094 0.199 0.000 1.059 567 V CA -0.175 62.188 62.300 0.105 0.000 1.138 567 V CB 0.664 32.582 31.823 0.159 0.000 0.940 567 V HN 0.777 nan 8.190 nan 0.000 0.489 568 W N 6.658 127.999 121.300 0.067 0.000 2.296 568 W HA 0.472 5.139 4.660 0.013 0.000 0.316 568 W C -0.870 175.607 176.519 -0.070 0.000 1.022 568 W CA -0.680 56.724 57.345 0.098 0.000 1.324 568 W CB 1.302 30.956 29.460 0.322 0.000 1.227 568 W HN 0.931 nan 8.180 nan 0.000 0.409 569 D N 2.480 122.563 120.400 -0.528 0.000 3.057 569 D HA 0.091 4.739 4.640 0.013 0.000 0.328 569 D C 0.710 176.779 176.300 -0.385 0.000 1.317 569 D CA -0.513 53.082 54.000 -0.675 0.000 0.973 569 D CB 0.228 40.084 40.800 -1.574 0.000 1.424 569 D HN 0.370 nan 8.370 nan 0.000 0.569 570 W N 0.355 121.329 121.300 -0.543 0.000 2.381 570 W HA 0.120 4.788 4.660 0.013 0.000 0.323 570 W C 0.095 176.371 176.519 -0.405 0.000 1.194 570 W CA 1.309 58.385 57.345 -0.447 0.000 1.296 570 W CB 0.206 29.427 29.460 -0.397 0.000 1.175 570 W HN 0.148 nan 8.180 nan 0.000 0.465 571 V N 2.594 122.248 119.914 -0.433 0.000 2.604 571 V HA 0.240 4.368 4.120 0.013 0.000 0.305 571 V C -0.766 175.125 176.094 -0.340 0.000 1.043 571 V CA -0.820 61.187 62.300 -0.489 0.000 0.888 571 V CB 1.444 33.092 31.823 -0.292 0.000 0.995 571 V HN -0.053 nan 8.190 nan 0.000 0.429 572 D N 4.101 124.309 120.400 -0.321 0.000 2.488 572 D HA 0.098 4.746 4.640 0.013 0.000 0.238 572 D C 0.241 176.396 176.300 -0.242 0.000 1.138 572 D CA 0.621 54.492 54.000 -0.214 0.000 0.873 572 D CB 0.850 41.621 40.800 -0.049 0.000 1.183 572 D HN 0.626 nan 8.370 nan 0.000 0.458 573 Q N 0.918 120.498 119.800 -0.366 0.000 3.122 573 Q HA 0.138 4.486 4.340 0.013 0.000 0.360 573 Q C -0.127 175.834 176.000 -0.064 0.000 1.300 573 Q CA -0.338 55.015 55.803 -0.751 0.000 0.982 573 Q CB 0.102 28.490 28.738 -0.585 0.000 1.534 573 Q HN 0.347 nan 8.270 nan 0.000 0.474 574 S N -0.157 115.631 115.700 0.146 0.000 2.578 574 S HA 0.651 5.129 4.470 0.013 0.000 0.283 574 S C -0.161 174.619 174.600 0.300 0.000 1.195 574 S CA -0.757 57.631 58.200 0.315 0.000 1.050 574 S CB 1.399 64.757 63.200 0.264 0.000 1.012 574 S HN 0.315 nan 8.310 nan 0.000 0.511 575 L N 1.921 123.242 121.223 0.164 0.000 2.333 575 L HA 0.536 4.884 4.340 0.013 0.000 0.269 575 L C -0.397 176.381 176.870 -0.153 0.000 1.010 575 L CA -1.249 53.566 54.840 -0.043 0.000 0.818 575 L CB 1.407 43.322 42.059 -0.242 0.000 1.306 575 L HN 0.549 nan 8.230 nan 0.000 0.430 576 I N 2.293 122.722 120.570 -0.236 0.000 2.441 576 I HA 0.268 4.446 4.170 0.013 0.000 0.287 576 I C 0.096 175.844 176.117 -0.615 0.000 1.049 576 I CA 0.049 61.077 61.300 -0.452 0.000 1.381 576 I CB 0.832 38.591 38.000 -0.403 0.000 1.409 576 I HN 0.587 nan 8.210 nan 0.000 0.523 577 K N 5.417 125.160 120.400 -1.096 0.000 2.444 577 K HA 0.594 4.922 4.320 0.013 0.000 0.252 577 K C -1.614 174.265 176.600 -1.201 0.000 0.993 577 K CA -0.732 54.890 56.287 -1.109 0.000 0.847 577 K CB 2.575 34.103 32.500 -1.620 0.000 1.340 577 K HN 0.213 nan 8.250 nan 0.000 0.446 578 Y N 0.468 120.565 120.300 -0.340 0.000 2.446 578 Y HA 0.176 4.734 4.550 0.013 0.000 0.345 578 Y C 0.125 176.149 175.900 0.207 0.000 0.984 578 Y CA -1.132 56.946 58.100 -0.036 0.000 1.058 578 Y CB 1.288 39.727 38.460 -0.036 0.000 1.220 578 Y HN 0.694 nan 8.280 nan 0.000 0.455 579 D N -0.552 120.102 120.400 0.424 0.000 2.507 579 D HA 0.095 4.743 4.640 0.013 0.000 0.280 579 D C 1.018 177.421 176.300 0.172 0.000 1.219 579 D CA -0.299 53.873 54.000 0.287 0.000 1.085 579 D CB 0.266 41.174 40.800 0.180 0.000 1.134 579 D HN 0.704 nan 8.370 nan 0.000 0.583 580 E N -0.409 119.852 120.200 0.101 0.000 2.070 580 E HA -0.285 4.073 4.350 0.013 0.000 0.197 580 E C 0.857 177.494 176.600 0.062 0.000 1.004 580 E CA 1.130 57.568 56.400 0.063 0.000 0.805 580 E CB -0.616 29.104 29.700 0.033 0.000 0.744 580 E HN 0.336 nan 8.360 nan 0.000 0.451 581 N N 0.856 119.598 118.700 0.070 0.000 2.501 581 N HA 0.027 4.774 4.740 0.013 0.000 0.195 581 N C 0.730 176.292 175.510 0.086 0.000 1.213 581 N CA 0.909 53.998 53.050 0.064 0.000 0.864 581 N CB 0.784 39.305 38.487 0.058 0.000 0.999 581 N HN 0.499 nan 8.380 nan 0.000 0.454 582 G N 1.185 110.055 108.800 0.117 0.000 2.179 582 G HA2 -0.266 3.702 3.960 0.013 0.000 0.257 582 G HA3 -0.266 3.702 3.960 0.013 0.000 0.257 582 G C -0.204 174.848 174.900 0.255 0.000 1.010 582 G CA -0.191 44.997 45.100 0.147 0.000 0.736 582 G HN 0.316 nan 8.290 nan 0.000 0.513 583 N N 1.565 120.407 118.700 0.236 0.000 2.434 583 N HA 0.406 5.154 4.740 0.013 0.000 0.272 583 N C -2.307 173.327 175.510 0.206 0.000 1.040 583 N CA -1.196 51.981 53.050 0.211 0.000 0.956 583 N CB 1.922 40.499 38.487 0.150 0.000 1.108 583 N HN 0.213 nan 8.380 nan 0.000 0.481 584 P HA 0.226 nan 4.420 nan 0.000 0.275 584 P C -0.548 176.684 177.300 -0.115 0.000 1.228 584 P CA -0.261 62.636 63.100 -0.339 0.000 0.786 584 P CB 0.719 32.165 31.700 -0.423 0.000 0.927 585 W N -0.315 120.739 121.300 -0.410 0.000 3.167 585 W HA 0.383 5.051 4.660 0.013 0.000 0.324 585 W C -1.428 174.904 176.519 -0.310 0.000 1.230 585 W CA -1.059 56.057 57.345 -0.382 0.000 1.184 585 W CB 0.324 29.330 29.460 -0.756 0.000 1.414 585 W HN 0.129 nan 8.180 nan 0.000 0.551 586 S N 1.718 117.453 115.700 0.057 0.000 2.481 586 S HA 0.544 5.022 4.470 0.013 0.000 0.276 586 S C 0.239 174.970 174.600 0.219 0.000 1.247 586 S CA -0.137 58.101 58.200 0.064 0.000 1.053 586 S CB 0.790 64.095 63.200 0.174 0.000 0.925 586 S HN 0.607 nan 8.310 nan 0.000 0.491 587 A N 3.099 125.919 122.820 -0.001 0.000 2.330 587 A HA 0.903 5.231 4.320 0.013 0.000 0.329 587 A C -0.626 177.200 177.584 0.405 0.000 1.135 587 A CA -0.830 51.267 52.037 0.100 0.000 0.817 587 A CB 0.752 19.518 19.000 -0.389 0.000 1.269 587 A HN 0.885 nan 8.150 nan 0.000 0.469 588 Y N -1.143 119.485 120.300 0.546 0.000 3.068 588 Y HA 0.761 5.319 4.550 0.014 0.000 0.302 588 Y C 0.721 177.016 175.900 0.658 0.000 1.610 588 Y CA -1.139 57.296 58.100 0.559 0.000 1.078 588 Y CB 0.054 38.661 38.460 0.245 0.000 1.418 588 Y HN 0.928 nan 8.280 nan 0.000 0.525 589 G N -0.031 109.187 108.800 0.696 0.000 2.187 589 G HA2 0.329 4.297 3.960 0.013 0.000 0.239 589 G HA3 0.329 4.297 3.960 0.013 0.000 0.239 589 G C 0.982 176.227 174.900 0.575 0.000 1.200 589 G CA 0.533 45.979 45.100 0.577 0.000 0.888 589 G HN 1.965 nan 8.290 nan 0.000 0.482 590 G N 2.134 111.239 108.800 0.509 0.000 2.253 590 G HA2 -0.283 3.685 3.960 0.013 0.000 0.251 590 G HA3 -0.283 3.685 3.960 0.013 0.000 0.251 590 G C 0.880 175.984 174.900 0.340 0.000 0.998 590 G CA 0.640 45.968 45.100 0.381 0.000 0.621 590 G HN 0.661 nan 8.290 nan 0.000 0.524 591 D N -0.186 120.431 120.400 0.362 0.000 2.378 591 D HA 0.156 4.804 4.640 0.013 0.000 0.227 591 D C 1.075 177.265 176.300 -0.182 0.000 1.012 591 D CA 0.507 54.562 54.000 0.092 0.000 0.905 591 D CB -0.177 40.627 40.800 0.008 0.000 0.895 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -0.893 119.178 119.950 0.201 0.000 2.724 592 F HA 0.296 4.831 4.527 0.013 0.000 0.310 592 F C 1.785 177.668 175.800 0.139 0.000 1.107 592 F CA -0.241 57.839 58.000 0.134 0.000 1.218 592 F CB 0.886 39.954 39.000 0.114 0.000 1.042 592 F HN -0.037 nan 8.300 nan 0.000 0.540 593 G N 0.353 109.314 108.800 0.268 0.000 2.176 593 G HA2 -0.281 3.687 3.960 0.013 0.000 0.253 593 G HA3 -0.281 3.687 3.960 0.013 0.000 0.253 593 G C -0.112 174.925 174.900 0.228 0.000 0.979 593 G CA 0.132 45.355 45.100 0.204 0.000 0.641 593 G HN 0.411 nan 8.290 nan 0.000 0.530 594 D N 0.611 121.196 120.400 0.309 0.000 2.450 594 D HA 0.459 5.107 4.640 0.013 0.000 0.247 594 D C 0.045 176.472 176.300 0.211 0.000 1.162 594 D CA 1.128 55.298 54.000 0.283 0.000 0.879 594 D CB 1.442 42.470 40.800 0.379 0.000 1.163 594 D HN 0.314 nan 8.370 nan 0.000 0.472 595 T N 1.534 116.180 114.554 0.154 0.000 3.097 595 T HA 0.421 4.779 4.350 0.013 0.000 0.332 595 T C -2.750 171.991 174.700 0.069 0.000 1.269 595 T CA -1.155 61.005 62.100 0.102 0.000 1.076 595 T CB 1.113 70.040 68.868 0.097 0.000 1.209 595 T HN 0.208 nan 8.240 nan 0.000 0.474 596 P HA 0.483 nan 4.420 nan 0.000 0.272 596 P C -0.966 176.324 177.300 -0.016 0.000 1.230 596 P CA -0.317 62.783 63.100 0.001 0.000 0.788 596 P CB 0.408 32.085 31.700 -0.038 0.000 0.949 597 N N -1.429 117.256 118.700 -0.025 0.000 2.732 597 N HA 0.313 5.061 4.740 0.013 0.000 0.259 597 N C -1.159 174.288 175.510 -0.105 0.000 1.402 597 N CA -0.765 52.246 53.050 -0.066 0.000 0.829 597 N CB 0.985 39.530 38.487 0.097 0.000 1.495 597 N HN 0.075 nan 8.380 nan 0.000 0.511 598 D N -0.277 120.001 120.400 -0.203 0.000 2.643 598 D HA 0.169 4.817 4.640 0.013 0.000 0.244 598 D C 0.278 176.720 176.300 0.237 0.000 1.257 598 D CA -0.113 53.834 54.000 -0.087 0.000 0.831 598 D CB 0.233 40.866 40.800 -0.278 0.000 1.043 598 D HN 0.705 nan 8.370 nan 0.000 0.488 599 R N 0.783 121.461 120.500 0.296 0.000 3.707 599 R HA -0.330 4.018 4.340 0.013 0.000 0.504 599 R C 1.301 177.676 176.300 0.125 0.000 0.241 599 R CA 1.639 57.949 56.100 0.348 0.000 1.576 599 R CB -1.592 28.802 30.300 0.158 0.000 0.924 599 R HN 0.158 nan 8.270 nan 0.000 0.597 600 Q N 1.648 121.184 119.800 -0.441 0.000 2.482 600 Q HA -0.037 4.311 4.340 0.013 0.000 0.209 600 Q C 1.489 177.365 176.000 -0.207 0.000 0.961 600 Q CA 1.379 56.788 55.803 -0.656 0.000 0.945 600 Q CB -0.014 28.174 28.738 -0.917 0.000 1.012 600 Q HN 0.643 nan 8.270 nan 0.000 0.515 601 F N 1.780 121.653 119.950 -0.129 0.000 2.722 601 F HA -0.097 4.437 4.527 0.013 0.000 0.298 601 F C 1.652 177.422 175.800 -0.049 0.000 1.175 601 F CA 0.601 58.602 58.000 0.003 0.000 1.462 601 F CB 0.280 39.340 39.000 0.101 0.000 1.111 601 F HN 0.392 nan 8.300 nan 0.000 0.592 602 C N -0.758 118.245 119.300 -0.496 0.000 2.697 602 C HA 0.341 4.809 4.460 0.013 0.000 0.267 602 C C 0.704 175.444 174.990 -0.417 0.000 1.278 602 C CA -0.594 57.946 59.018 -0.798 0.000 1.708 602 C CB -1.644 25.083 27.740 -1.690 0.000 1.860 602 C HN 0.227 nan 8.230 nan 0.000 0.589 603 M N 2.604 122.033 119.600 -0.286 0.000 2.027 603 M HA 0.301 4.789 4.480 0.013 0.000 0.329 603 M C -0.609 175.578 176.300 -0.188 0.000 0.971 603 M CA 0.306 55.497 55.300 -0.181 0.000 0.933 603 M CB 0.177 32.737 32.600 -0.065 0.000 1.392 603 M HN 0.340 nan 8.290 nan 0.000 0.394 604 N N 0.650 119.205 118.700 -0.242 0.000 2.305 604 N HA 0.208 4.956 4.740 0.013 0.000 0.248 604 N C 0.362 175.648 175.510 -0.373 0.000 1.290 604 N CA -0.528 52.335 53.050 -0.312 0.000 0.873 604 N CB 1.203 39.491 38.487 -0.332 0.000 1.261 604 N HN 0.643 nan 8.380 nan 0.000 0.504 605 G N -0.042 108.514 108.800 -0.407 0.000 2.504 605 G HA2 0.356 4.324 3.960 0.013 0.000 0.288 605 G HA3 0.356 4.324 3.960 0.013 0.000 0.288 605 G C 0.637 175.090 174.900 -0.744 0.000 1.182 605 G CA -0.542 44.217 45.100 -0.568 0.000 0.894 605 G HN 0.120 nan 8.290 nan 0.000 0.521 606 L N -0.190 120.577 121.223 -0.760 0.000 2.418 606 L HA 0.145 4.493 4.340 0.013 0.000 0.218 606 L C 0.837 177.084 176.870 -1.040 0.000 1.125 606 L CA 0.285 54.696 54.840 -0.715 0.000 0.835 606 L CB -0.153 41.624 42.059 -0.471 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.114 114.048 119.914 -1.254 0.000 2.914 607 V HA 0.494 4.622 4.120 0.013 0.000 0.314 607 V C -0.240 175.315 176.094 -0.899 0.000 1.084 607 V CA -1.222 60.454 62.300 -1.040 0.000 0.963 607 V CB 1.642 32.907 31.823 -0.930 0.000 1.025 607 V HN -0.170 nan 8.190 nan 0.000 0.432 608 F N 1.610 121.381 119.950 -0.300 0.000 2.440 608 F HA 0.584 5.119 4.527 0.014 0.000 0.323 608 F C 1.890 177.598 175.800 -0.153 0.000 1.192 608 F CA 0.590 58.556 58.000 -0.057 0.000 1.252 608 F CB 0.844 39.866 39.000 0.036 0.000 1.214 608 F HN 0.790 nan 8.300 nan 0.000 0.578 609 A N 0.827 123.730 122.820 0.138 0.000 2.032 609 A HA -0.212 4.116 4.320 0.013 0.000 0.221 609 A C 1.715 179.267 177.584 -0.052 0.000 1.165 609 A CA 1.905 53.969 52.037 0.045 0.000 0.645 609 A CB -0.967 18.099 19.000 0.109 0.000 0.807 609 A HN 0.787 nan 8.150 nan 0.000 0.453 610 D N -2.701 117.688 120.400 -0.018 0.000 2.328 610 D HA 0.069 4.717 4.640 0.013 0.000 0.226 610 D C 0.543 176.820 176.300 -0.039 0.000 1.066 610 D CA 0.077 54.035 54.000 -0.071 0.000 0.861 610 D CB -0.134 40.629 40.800 -0.061 0.000 0.912 610 D HN 0.164 nan 8.370 nan 0.000 0.521 611 R N -1.323 119.154 120.500 -0.039 0.000 3.919 611 R HA -0.115 4.233 4.340 0.013 0.000 0.412 611 R C -0.439 175.849 176.300 -0.021 0.000 1.102 611 R CA 0.986 57.049 56.100 -0.063 0.000 1.082 611 R CB -3.212 27.089 30.300 0.002 0.000 1.671 611 R HN 0.229 nan 8.270 nan 0.000 0.540 612 T N 2.193 116.793 114.554 0.077 0.000 2.851 612 T HA 0.359 4.717 4.350 0.013 0.000 0.298 612 T C -2.296 172.507 174.700 0.172 0.000 0.977 612 T CA -0.933 61.257 62.100 0.149 0.000 1.126 612 T CB 1.161 70.150 68.868 0.202 0.000 0.916 612 T HN -0.093 nan 8.240 nan 0.000 0.529 613 P HA 0.135 nan 4.420 nan 0.000 0.269 613 P C -0.071 177.250 177.300 0.034 0.000 1.209 613 P CA -0.123 62.956 63.100 -0.035 0.000 0.776 613 P CB 0.413 32.107 31.700 -0.009 0.000 0.876 614 H N 2.836 121.712 119.070 -0.323 0.000 2.495 614 H HA 0.141 4.705 4.556 0.013 0.000 0.350 614 H C -1.363 173.851 175.328 -0.189 0.000 1.202 614 H CA -2.034 53.792 56.048 -0.369 0.000 1.322 614 H CB 0.647 30.151 29.762 -0.430 0.000 1.544 614 H HN 0.331 nan 8.280 nan 0.000 0.565 615 P HA -0.155 nan 4.420 nan 0.000 0.218 615 P C 1.128 178.424 177.300 -0.007 0.000 1.148 615 P CA 1.479 64.564 63.100 -0.026 0.000 0.822 615 P CB 0.090 31.775 31.700 -0.025 0.000 0.784 616 A N -0.485 122.333 122.820 -0.003 0.000 1.978 616 A HA -0.202 4.126 4.320 0.013 0.000 0.220 616 A C 2.076 179.600 177.584 -0.100 0.000 1.170 616 A CA 1.340 53.339 52.037 -0.065 0.000 0.636 616 A CB -1.643 17.300 19.000 -0.095 0.000 0.810 616 A HN 0.155 nan 8.150 nan 0.000 0.448 617 L N -0.423 120.758 121.223 -0.070 0.000 2.043 617 L HA -0.162 4.186 4.340 0.013 0.000 0.212 617 L C 2.545 179.449 176.870 0.056 0.000 1.075 617 L CA 2.800 57.631 54.840 -0.014 0.000 0.752 617 L CB -1.056 40.989 42.059 -0.024 0.000 0.891 617 L HN 0.402 nan 8.230 nan 0.000 0.432 618 T N -1.802 112.792 114.554 0.068 0.000 2.867 618 T HA -0.188 4.170 4.350 0.013 0.000 0.268 618 T C 1.800 176.602 174.700 0.169 0.000 1.057 618 T CA 1.364 63.561 62.100 0.161 0.000 1.136 618 T CB -0.126 68.821 68.868 0.132 0.000 0.874 618 T HN 0.490 nan 8.240 nan 0.000 0.466 619 E N 0.833 121.070 120.200 0.062 0.000 2.072 619 E HA 0.060 4.418 4.350 0.013 0.000 0.191 619 E C 2.166 178.764 176.600 -0.003 0.000 0.985 619 E CA 1.392 57.830 56.400 0.062 0.000 0.801 619 E CB -0.623 29.077 29.700 -0.000 0.000 0.750 619 E HN 0.532 nan 8.360 nan 0.000 0.452 620 A N 0.992 123.688 122.820 -0.206 0.000 1.877 620 A HA -0.208 4.120 4.320 0.013 0.000 0.216 620 A C 2.171 179.641 177.584 -0.191 0.000 1.186 620 A CA 1.865 53.729 52.037 -0.288 0.000 0.620 620 A CB -0.630 18.170 19.000 -0.333 0.000 0.822 620 A HN 0.267 nan 8.150 nan 0.000 0.443 621 K N -1.162 119.205 120.400 -0.055 0.000 2.044 621 K HA -0.302 4.026 4.320 0.013 0.000 0.210 621 K C 2.069 178.575 176.600 -0.157 0.000 1.049 621 K CA 2.105 58.380 56.287 -0.019 0.000 0.927 621 K CB -0.367 32.270 32.500 0.229 0.000 0.713 621 K HN 0.645 nan 8.250 nan 0.000 0.443 622 H N 0.258 119.153 119.070 -0.291 0.000 2.353 622 H HA -0.033 4.531 4.556 0.014 0.000 0.300 622 H C 1.941 177.001 175.328 -0.447 0.000 1.090 622 H CA 1.798 57.478 56.048 -0.613 0.000 1.327 622 H CB 0.108 29.537 29.762 -0.555 0.000 1.383 622 H HN 0.243 nan 8.280 nan 0.000 0.508 623 Q N 0.151 119.707 119.800 -0.408 0.000 2.297 623 Q HA -0.057 4.291 4.340 0.013 0.000 0.204 623 Q C 1.445 176.904 176.000 -0.902 0.000 0.962 623 Q CA 1.056 56.543 55.803 -0.527 0.000 0.879 623 Q CB 0.141 28.733 28.738 -0.243 0.000 0.947 623 Q HN 0.704 nan 8.270 nan 0.000 0.462 624 Q N 0.128 119.353 119.800 -0.959 0.000 2.280 624 Q HA 0.089 4.437 4.340 0.013 0.000 0.202 624 Q C -0.176 175.287 176.000 -0.894 0.000 0.903 624 Q CA -0.214 54.867 55.803 -1.203 0.000 0.948 624 Q CB 0.415 28.484 28.738 -1.115 0.000 1.058 624 Q HN 0.380 nan 8.270 nan 0.000 0.493 625 Q N -0.381 119.043 119.800 -0.627 0.000 2.369 625 Q HA -0.049 4.299 4.340 0.013 0.000 0.295 625 Q C -0.135 175.538 176.000 -0.545 0.000 1.075 625 Q CA 0.429 56.001 55.803 -0.386 0.000 0.941 625 Q CB 0.426 29.015 28.738 -0.248 0.000 1.260 625 Q HN 0.293 nan 8.270 nan 0.000 0.417 626 F N 0.261 119.966 119.950 -0.409 0.000 2.727 626 F HA 0.221 4.756 4.527 0.013 0.000 0.302 626 F C -0.218 175.040 175.800 -0.903 0.000 1.097 626 F CA -0.016 57.510 58.000 -0.791 0.000 1.330 626 F CB 0.532 38.709 39.000 -1.372 0.000 1.084 626 F HN 0.303 nan 8.300 nan 0.000 0.578 627 F N 0.433 120.307 119.950 -0.127 0.000 2.518 627 F HA 0.481 5.017 4.527 0.014 0.000 0.323 627 F C -0.036 175.438 175.800 -0.543 0.000 1.129 627 F CA -1.199 56.624 58.000 -0.295 0.000 0.920 627 F CB 1.239 40.098 39.000 -0.235 0.000 1.160 627 F HN -0.305 nan 8.300 nan 0.000 0.440 628 Q N 2.808 122.369 119.800 -0.398 0.000 2.248 628 Q HA 0.627 4.974 4.340 0.013 0.000 0.263 628 Q C -1.273 174.414 176.000 -0.522 0.000 1.007 628 Q CA -0.615 54.994 55.803 -0.323 0.000 0.877 628 Q CB 2.588 31.257 28.738 -0.114 0.000 1.315 628 Q HN 0.521 nan 8.270 nan 0.000 0.454 629 F N -0.138 119.950 119.950 0.230 0.000 2.588 629 F HA 0.598 5.133 4.527 0.014 0.000 0.310 629 F C 0.234 176.290 175.800 0.427 0.000 1.082 629 F CA -0.878 57.339 58.000 0.361 0.000 0.929 629 F CB 1.874 41.236 39.000 0.603 0.000 1.254 629 F HN 0.099 nan 8.300 nan 0.000 0.455 630 R N 1.668 122.458 120.500 0.484 0.000 2.651 630 R HA 0.666 5.014 4.340 0.013 0.000 0.278 630 R C -2.065 174.210 176.300 -0.043 0.000 1.010 630 R CA -1.147 55.124 56.100 0.285 0.000 0.896 630 R CB 3.114 33.506 30.300 0.153 0.000 1.211 630 R HN 0.614 nan 8.270 nan 0.000 0.456 631 L N 0.894 121.953 121.223 -0.273 0.000 2.333 631 L HA 0.542 4.890 4.340 0.013 0.000 0.280 631 L C -0.940 175.757 176.870 -0.288 0.000 1.004 631 L CA 0.032 54.531 54.840 -0.567 0.000 0.820 631 L CB 2.047 43.324 42.059 -1.304 0.000 1.247 631 L HN 0.574 nan 8.230 nan 0.000 0.416 632 S N 3.872 119.437 115.700 -0.226 0.000 2.775 632 S HA 0.705 5.183 4.470 0.013 0.000 0.277 632 S C 0.167 174.684 174.600 -0.139 0.000 1.156 632 S CA 0.259 58.375 58.200 -0.140 0.000 1.081 632 S CB 0.207 63.355 63.200 -0.086 0.000 1.054 632 S HN 1.613 nan 8.310 nan 0.000 0.482 633 G N 4.396 113.118 108.800 -0.131 0.000 2.561 633 G HA2 -0.268 3.700 3.960 0.013 0.000 0.289 633 G HA3 -0.268 3.700 3.960 0.013 0.000 0.289 633 G C 0.164 174.973 174.900 -0.153 0.000 1.169 633 G CA 0.483 45.513 45.100 -0.118 0.000 0.980 633 G HN 0.702 nan 8.290 nan 0.000 0.550 634 Q N 0.980 120.692 119.800 -0.146 0.000 2.201 634 Q HA 0.307 4.655 4.340 0.013 0.000 0.217 634 Q C -0.206 175.676 176.000 -0.198 0.000 0.860 634 Q CA 0.351 56.045 55.803 -0.182 0.000 0.984 634 Q CB 0.642 29.285 28.738 -0.159 0.000 1.095 634 Q HN 0.431 nan 8.270 nan 0.000 0.477 635 T N 0.784 115.229 114.554 -0.181 0.000 2.779 635 T HA 0.459 4.817 4.350 0.013 0.000 0.280 635 T C -0.524 174.066 174.700 -0.184 0.000 0.987 635 T CA -0.456 61.550 62.100 -0.157 0.000 0.966 635 T CB 1.102 69.907 68.868 -0.105 0.000 0.933 635 T HN -0.046 nan 8.240 nan 0.000 0.442 636 I N 2.750 123.227 120.570 -0.157 0.000 2.354 636 I HA 0.304 4.481 4.170 0.013 0.000 0.292 636 I C 0.417 176.535 176.117 0.002 0.000 0.989 636 I CA -0.644 60.581 61.300 -0.126 0.000 1.188 636 I CB 1.449 39.398 38.000 -0.084 0.000 1.342 636 I HN 0.599 nan 8.210 nan 0.000 0.457 637 E N 6.016 126.241 120.200 0.042 0.000 2.134 637 E HA 0.498 4.856 4.350 0.013 0.000 0.278 637 E C -1.496 175.182 176.600 0.130 0.000 0.959 637 E CA -0.522 55.921 56.400 0.071 0.000 0.783 637 E CB 1.209 30.937 29.700 0.047 0.000 1.095 637 E HN 0.386 nan 8.360 nan 0.000 0.399 638 V N 4.382 124.356 119.914 0.100 0.000 2.370 638 V HA 0.298 4.426 4.120 0.013 0.000 0.283 638 V C -0.022 176.085 176.094 0.020 0.000 1.023 638 V CA -0.537 61.783 62.300 0.033 0.000 0.857 638 V CB 1.649 33.516 31.823 0.072 0.000 0.985 638 V HN 0.703 nan 8.190 nan 0.000 0.443 639 T N 3.387 117.918 114.554 -0.037 0.000 2.807 639 T HA 0.366 4.723 4.350 0.013 0.000 0.279 639 T C -0.061 174.653 174.700 0.024 0.000 0.993 639 T CA -0.270 61.831 62.100 0.002 0.000 0.970 639 T CB 1.593 70.444 68.868 -0.029 0.000 0.950 639 T HN 0.681 nan 8.240 nan 0.000 0.441 640 S N 1.763 117.492 115.700 0.049 0.000 2.499 640 S HA 0.239 4.717 4.470 0.013 0.000 0.279 640 S C 0.736 175.236 174.600 -0.167 0.000 1.219 640 S CA -0.588 57.586 58.200 -0.043 0.000 1.062 640 S CB 0.618 63.876 63.200 0.097 0.000 0.978 640 S HN 0.715 nan 8.310 nan 0.000 0.489 641 E N 2.891 122.892 120.200 -0.333 0.000 2.476 641 E HA 0.082 4.440 4.350 0.013 0.000 0.196 641 E C -0.775 175.658 176.600 -0.279 0.000 1.029 641 E CA -0.085 56.141 56.400 -0.290 0.000 0.896 641 E CB 0.253 29.749 29.700 -0.340 0.000 1.012 641 E HN 0.655 nan 8.360 nan 0.000 0.475 642 Y N 0.534 120.729 120.300 -0.175 0.000 2.397 642 Y HA 0.002 4.560 4.550 0.013 0.000 0.335 642 Y C 1.397 177.117 175.900 -0.300 0.000 1.213 642 Y CA 0.335 58.314 58.100 -0.200 0.000 1.391 642 Y CB 0.619 38.935 38.460 -0.241 0.000 1.293 642 Y HN -0.049 nan 8.280 nan 0.000 0.557 643 L N 1.196 122.226 121.223 -0.320 0.000 2.463 643 L HA 0.061 4.409 4.340 0.013 0.000 0.219 643 L C 0.568 176.953 176.870 -0.809 0.000 1.088 643 L CA 0.485 54.893 54.840 -0.719 0.000 0.849 643 L CB -0.005 41.334 42.059 -1.202 0.000 1.012 643 L HN 0.538 nan 8.230 nan 0.000 0.468 644 F N -0.510 119.424 119.950 -0.027 0.000 2.581 644 F HA 0.217 4.751 4.527 0.012 0.000 0.278 644 F C 1.353 177.086 175.800 -0.111 0.000 1.000 644 F CA -0.833 57.121 58.000 -0.078 0.000 1.230 644 F CB -0.153 38.799 39.000 -0.081 0.000 1.008 644 F HN -0.153 nan 8.300 nan 0.000 0.695 645 R N 0.959 121.465 120.500 0.010 0.000 2.528 645 R HA 0.321 4.669 4.340 0.013 0.000 0.271 645 R C -0.550 175.654 176.300 -0.159 0.000 1.056 645 R CA -0.426 55.620 56.100 -0.090 0.000 1.117 645 R CB 0.413 30.573 30.300 -0.233 0.000 1.085 645 R HN 0.127 nan 8.270 nan 0.000 0.530 646 H N 0.359 119.408 119.070 -0.036 0.000 2.496 646 H HA 0.083 4.648 4.556 0.014 0.000 0.342 646 H C 0.082 175.422 175.328 0.020 0.000 1.170 646 H CA -0.199 55.862 56.048 0.022 0.000 1.274 646 H CB 1.871 31.652 29.762 0.032 0.000 1.538 646 H HN 0.784 nan 8.280 nan 0.000 0.542 647 S N 0.987 116.828 115.700 0.236 0.000 4.175 647 S HA -0.069 4.409 4.470 0.013 0.000 0.193 647 S C 0.669 175.360 174.600 0.152 0.000 1.373 647 S CA -0.619 57.726 58.200 0.242 0.000 0.908 647 S CB -0.658 62.744 63.200 0.336 0.000 1.547 647 S HN 0.625 nan 8.310 nan 0.000 0.440 648 D N 1.202 121.666 120.400 0.107 0.000 2.349 648 D HA -0.075 4.573 4.640 0.013 0.000 0.224 648 D C 0.354 176.684 176.300 0.049 0.000 1.029 648 D CA 0.023 54.063 54.000 0.067 0.000 0.879 648 D CB -0.465 40.362 40.800 0.046 0.000 0.906 648 D HN 0.700 nan 8.370 nan 0.000 0.528 649 N N -0.271 118.468 118.700 0.065 0.000 2.646 649 N HA 0.114 4.862 4.740 0.013 0.000 0.296 649 N C -1.273 174.284 175.510 0.077 0.000 1.886 649 N CA -0.231 52.852 53.050 0.053 0.000 0.855 649 N CB 0.491 39.002 38.487 0.040 0.000 1.336 649 N HN -0.110 nan 8.380 nan 0.000 0.496 650 E N 0.567 120.804 120.200 0.062 0.000 2.352 650 E HA 0.417 4.775 4.350 0.013 0.000 0.280 650 E C -1.628 174.967 176.600 -0.008 0.000 0.930 650 E CA -0.673 55.746 56.400 0.032 0.000 0.765 650 E CB 2.027 31.740 29.700 0.022 0.000 1.219 650 E HN 0.253 nan 8.360 nan 0.000 0.434 651 L N -0.217 120.981 121.223 -0.042 0.000 2.409 651 L HA 0.724 5.072 4.340 0.013 0.000 0.262 651 L C -1.474 175.364 176.870 -0.053 0.000 0.992 651 L CA -1.090 53.733 54.840 -0.028 0.000 0.817 651 L CB 0.884 42.934 42.059 -0.015 0.000 1.350 651 L HN 0.470 nan 8.230 nan 0.000 0.411 652 L N 2.107 123.364 121.223 0.057 0.000 2.272 652 L HA 0.524 4.871 4.340 0.013 0.000 0.289 652 L C -0.640 176.395 176.870 0.274 0.000 1.032 652 L CA 0.328 55.250 54.840 0.137 0.000 0.810 652 L CB 0.392 42.571 42.059 0.201 0.000 1.205 652 L HN 0.670 nan 8.230 nan 0.000 0.422 653 H N 5.645 124.801 119.070 0.143 0.000 2.467 653 H HA 0.432 4.996 4.556 0.014 0.000 0.326 653 H C -1.111 174.314 175.328 0.162 0.000 1.094 653 H CA -0.719 55.374 56.048 0.075 0.000 1.253 653 H CB 0.968 30.737 29.762 0.012 0.000 1.439 653 H HN 0.694 nan 8.280 nan 0.000 0.479 654 W N 3.782 125.179 121.300 0.160 0.000 2.844 654 W HA 0.549 5.217 4.660 0.013 0.000 0.340 654 W C -1.870 174.696 176.519 0.078 0.000 1.093 654 W CA -1.306 56.111 57.345 0.119 0.000 1.212 654 W CB 1.309 30.830 29.460 0.102 0.000 1.422 654 W HN 0.414 nan 8.180 nan 0.000 0.515 655 M N 3.533 123.288 119.600 0.258 0.000 2.378 655 M HA 0.583 5.071 4.480 0.013 0.000 0.289 655 M C -2.426 174.033 176.300 0.265 0.000 1.136 655 M CA -0.733 54.618 55.300 0.085 0.000 0.917 655 M CB 2.001 34.589 32.600 -0.021 0.000 1.669 655 M HN 0.209 nan 8.290 nan 0.000 0.461 656 V N 4.035 124.097 119.914 0.247 0.000 2.448 656 V HA 1.010 5.138 4.120 0.013 0.000 0.295 656 V C -0.411 175.781 176.094 0.164 0.000 1.025 656 V CA -0.318 62.137 62.300 0.259 0.000 0.859 656 V CB 1.095 33.098 31.823 0.300 0.000 0.988 656 V HN 1.058 nan 8.190 nan 0.000 0.431 657 A N 4.430 127.359 122.820 0.183 0.000 2.475 657 A HA 0.895 5.223 4.320 0.013 0.000 0.301 657 A C -1.459 176.241 177.584 0.194 0.000 1.059 657 A CA -0.638 51.476 52.037 0.129 0.000 0.710 657 A CB 1.766 20.796 19.000 0.050 0.000 1.288 657 A HN 0.843 nan 8.150 nan 0.000 0.408 658 L N 1.634 122.940 121.223 0.139 0.000 2.262 658 L HA 0.488 4.836 4.340 0.013 0.000 0.288 658 L C -0.482 176.481 176.870 0.156 0.000 1.035 658 L CA 0.271 55.211 54.840 0.166 0.000 0.820 658 L CB 0.233 42.355 42.059 0.106 0.000 1.204 658 L HN 0.759 nan 8.230 nan 0.000 0.424 659 D N 4.788 125.348 120.400 0.267 0.000 2.686 659 D HA -0.222 4.426 4.640 0.013 0.000 0.235 659 D C 1.149 177.450 176.300 0.002 0.000 1.160 659 D CA 1.363 55.494 54.000 0.220 0.000 0.645 659 D CB -1.002 39.897 40.800 0.164 0.000 1.039 659 D HN 1.187 nan 8.370 nan 0.000 0.423 660 G N -0.555 108.204 108.800 -0.069 0.000 2.234 660 G HA2 -0.377 3.591 3.960 0.013 0.000 0.260 660 G HA3 -0.377 3.591 3.960 0.013 0.000 0.260 660 G C 0.307 175.106 174.900 -0.169 0.000 0.987 660 G CA 0.628 45.582 45.100 -0.243 0.000 0.625 660 G HN 0.481 nan 8.290 nan 0.000 0.532 661 K N 1.750 122.106 120.400 -0.073 0.000 2.285 661 K HA 0.438 4.766 4.320 0.013 0.000 0.286 661 K C -2.537 174.042 176.600 -0.035 0.000 1.072 661 K CA -1.836 54.416 56.287 -0.058 0.000 0.913 661 K CB 1.240 33.725 32.500 -0.025 0.000 1.067 661 K HN 0.054 nan 8.250 nan 0.000 0.479 662 P HA -0.115 nan 4.420 nan 0.000 0.261 662 P C -0.276 177.015 177.300 -0.016 0.000 1.183 662 P CA 0.130 63.202 63.100 -0.047 0.000 0.761 662 P CB 0.552 32.204 31.700 -0.079 0.000 0.785 663 L N 3.768 124.999 121.223 0.013 0.000 2.600 663 L HA 0.630 4.978 4.340 0.013 0.000 0.213 663 L C 0.138 177.032 176.870 0.041 0.000 1.045 663 L CA 0.831 55.693 54.840 0.037 0.000 0.863 663 L CB 0.068 42.171 42.059 0.073 0.000 1.189 663 L HN 0.405 nan 8.230 nan 0.000 0.484 664 A N -1.284 121.562 122.820 0.043 0.000 2.599 664 A HA 0.736 5.064 4.320 0.013 0.000 0.294 664 A C -1.044 176.424 177.584 -0.195 0.000 1.055 664 A CA 0.145 52.193 52.037 0.017 0.000 0.683 664 A CB 0.754 19.883 19.000 0.216 0.000 1.278 664 A HN 0.322 nan 8.150 nan 0.000 0.412 665 S N -0.369 114.986 115.700 -0.576 0.000 2.588 665 S HA 0.975 5.453 4.470 0.013 0.000 0.269 665 S C -0.225 173.535 174.600 -1.400 0.000 1.157 665 S CA -0.092 57.412 58.200 -1.161 0.000 0.824 665 S CB 1.205 64.043 63.200 -0.603 0.000 1.126 665 S HN 2.611 nan 8.310 nan 0.000 0.464 666 G N -0.097 107.656 108.800 -1.745 0.000 2.548 666 G HA2 0.623 4.591 3.960 0.013 0.000 0.301 666 G HA3 0.623 4.591 3.960 0.013 0.000 0.301 666 G C -2.289 172.318 174.900 -0.489 0.000 1.349 666 G CA -0.808 43.781 45.100 -0.851 0.000 0.792 666 G HN 0.770 nan 8.290 nan 0.000 0.481 667 E N -1.237 118.956 120.200 -0.012 0.000 2.317 667 E HA 0.634 4.992 4.350 0.013 0.000 0.270 667 E C -1.454 175.302 176.600 0.261 0.000 0.885 667 E CA -0.904 55.604 56.400 0.181 0.000 0.760 667 E CB 3.230 33.020 29.700 0.149 0.000 1.227 667 E HN 0.284 nan 8.360 nan 0.000 0.434 668 V N 2.710 122.784 119.914 0.266 0.000 2.655 668 V HA 0.270 4.397 4.120 0.013 0.000 0.301 668 V C -2.539 173.640 176.094 0.141 0.000 1.082 668 V CA -1.872 60.548 62.300 0.201 0.000 0.899 668 V CB 1.873 33.825 31.823 0.215 0.000 1.014 668 V HN 0.561 nan 8.190 nan 0.000 0.429 669 P HA 0.214 nan 4.420 nan 0.000 0.268 669 P C -0.669 176.669 177.300 0.063 0.000 1.205 669 P CA 0.037 63.181 63.100 0.073 0.000 0.771 669 P CB 0.594 32.332 31.700 0.063 0.000 0.858 670 L N 3.250 124.497 121.223 0.040 0.000 2.282 670 L HA 0.334 4.682 4.340 0.013 0.000 0.288 670 L C 0.180 177.087 176.870 0.062 0.000 1.033 670 L CA 0.020 54.877 54.840 0.028 0.000 0.807 670 L CB 1.078 43.099 42.059 -0.064 0.000 1.209 670 L HN 0.351 nan 8.230 nan 0.000 0.423 671 D N 3.259 123.709 120.400 0.084 0.000 2.443 671 D HA 0.319 4.967 4.640 0.013 0.000 0.281 671 D C -1.236 175.155 176.300 0.151 0.000 1.210 671 D CA -0.179 53.889 54.000 0.112 0.000 0.875 671 D CB 0.946 41.794 40.800 0.080 0.000 1.125 671 D HN 0.032 nan 8.370 nan 0.000 0.503 672 V N 1.650 121.684 119.914 0.199 0.000 2.417 672 V HA 0.806 4.934 4.120 0.013 0.000 0.291 672 V C 0.835 177.056 176.094 0.212 0.000 1.024 672 V CA -1.136 61.288 62.300 0.208 0.000 0.861 672 V CB 1.278 33.249 31.823 0.247 0.000 0.985 672 V HN 0.554 nan 8.190 nan 0.000 0.436 673 A N 7.202 130.112 122.820 0.150 0.000 2.366 673 A HA 0.635 4.963 4.320 0.013 0.000 0.249 673 A C -2.157 175.321 177.584 -0.178 0.000 1.084 673 A CA -1.410 50.560 52.037 -0.112 0.000 0.794 673 A CB -0.140 18.892 19.000 0.053 0.000 1.034 673 A HN 0.691 nan 8.150 nan 0.000 0.491 674 P HA -0.018 nan 4.420 nan 0.000 0.262 674 P C -0.447 176.787 177.300 -0.109 0.000 1.182 674 P CA 0.692 63.691 63.100 -0.169 0.000 0.761 674 P CB 0.447 32.024 31.700 -0.204 0.000 0.795 675 Q N -0.643 119.110 119.800 -0.079 0.000 2.406 675 Q HA -0.188 4.160 4.340 0.013 0.000 0.236 675 Q C 0.827 176.807 176.000 -0.034 0.000 0.799 675 Q CA 1.206 56.966 55.803 -0.071 0.000 1.286 675 Q CB -1.982 26.702 28.738 -0.089 0.000 1.615 675 Q HN 0.795 nan 8.270 nan 0.000 0.621 676 G N 0.200 108.995 108.800 -0.009 0.000 2.537 676 G HA2 0.588 4.556 3.960 0.013 0.000 0.297 676 G HA3 0.588 4.556 3.960 0.013 0.000 0.297 676 G C -0.388 174.537 174.900 0.041 0.000 1.310 676 G CA -0.538 44.575 45.100 0.021 0.000 1.027 676 G HN -0.011 nan 8.290 nan 0.000 0.505 677 K N -0.808 119.621 120.400 0.048 0.000 2.395 677 K HA 0.520 4.848 4.320 0.013 0.000 0.247 677 K C -1.046 175.590 176.600 0.061 0.000 0.973 677 K CA -0.653 55.664 56.287 0.051 0.000 0.828 677 K CB 2.555 35.075 32.500 0.033 0.000 1.272 677 K HN 0.490 nan 8.250 nan 0.000 0.439 678 Q N 2.142 121.979 119.800 0.062 0.000 2.284 678 Q HA 0.357 4.705 4.340 0.013 0.000 0.269 678 Q C -1.751 174.280 176.000 0.051 0.000 1.026 678 Q CA -0.591 55.248 55.803 0.061 0.000 0.831 678 Q CB 1.578 30.361 28.738 0.075 0.000 1.322 678 Q HN 0.526 nan 8.270 nan 0.000 0.419 679 L N 4.609 125.853 121.223 0.035 0.000 2.272 679 L HA 0.476 4.824 4.340 0.013 0.000 0.289 679 L C -0.747 176.130 176.870 0.011 0.000 1.032 679 L CA -0.784 54.066 54.840 0.017 0.000 0.810 679 L CB 1.023 43.084 42.059 0.003 0.000 1.205 679 L HN 0.551 nan 8.230 nan 0.000 0.422 680 I N 2.919 123.490 120.570 0.002 0.000 2.354 680 I HA 0.180 4.358 4.170 0.013 0.000 0.286 680 I C 0.135 176.204 176.117 -0.079 0.000 1.007 680 I CA -0.362 60.929 61.300 -0.015 0.000 1.167 680 I CB 1.537 39.546 38.000 0.014 0.000 1.320 680 I HN 0.444 nan 8.210 nan 0.000 0.458 681 E N 6.677 126.828 120.200 -0.081 0.000 2.152 681 E HA 0.380 4.738 4.350 0.013 0.000 0.285 681 E C -0.953 175.535 176.600 -0.187 0.000 1.043 681 E CA -0.207 56.123 56.400 -0.118 0.000 0.839 681 E CB 0.512 30.166 29.700 -0.076 0.000 1.069 681 E HN 0.457 nan 8.360 nan 0.000 0.399 682 L N 7.154 128.205 121.223 -0.286 0.000 2.397 682 L HA 0.348 4.696 4.340 0.013 0.000 0.271 682 L C -1.590 175.101 176.870 -0.299 0.000 1.148 682 L CA -1.846 52.716 54.840 -0.463 0.000 0.825 682 L CB 0.486 42.183 42.059 -0.604 0.000 1.117 682 L HN 0.563 nan 8.230 nan 0.000 0.456 683 P HA -0.017 nan 4.420 nan 0.000 0.273 683 P C -0.709 176.537 177.300 -0.089 0.000 1.250 683 P CA -0.543 62.498 63.100 -0.099 0.000 0.793 683 P CB 0.501 32.210 31.700 0.015 0.000 1.011 684 E N 0.779 120.958 120.200 -0.035 0.000 2.406 684 E HA 0.060 4.418 4.350 0.013 0.000 0.258 684 E C -0.548 176.054 176.600 0.003 0.000 1.043 684 E CA -0.136 56.250 56.400 -0.024 0.000 0.929 684 E CB -0.274 29.422 29.700 -0.008 0.000 0.969 684 E HN 0.293 nan 8.360 nan 0.000 0.462 685 L N 7.700 128.919 121.223 -0.007 0.000 2.290 685 L HA 0.322 4.670 4.340 0.013 0.000 0.284 685 L C -1.611 175.280 176.870 0.035 0.000 1.078 685 L CA -1.990 52.871 54.840 0.034 0.000 0.815 685 L CB 0.688 42.761 42.059 0.024 0.000 1.162 685 L HN 0.542 nan 8.230 nan 0.000 0.435 686 P HA 0.089 nan 4.420 nan 0.000 0.276 686 P C -0.901 176.420 177.300 0.035 0.000 1.243 686 P CA -0.440 62.682 63.100 0.038 0.000 0.768 686 P CB 0.727 32.453 31.700 0.043 0.000 0.856 687 Q N 3.834 123.648 119.800 0.024 0.000 2.386 687 Q HA 0.091 4.439 4.340 0.013 0.000 0.282 687 Q C -1.561 174.456 176.000 0.028 0.000 1.050 687 Q CA -0.997 54.819 55.803 0.022 0.000 0.918 687 Q CB -0.314 28.433 28.738 0.015 0.000 1.266 687 Q HN 0.455 nan 8.270 nan 0.000 0.423 688 P HA -0.079 nan 4.420 nan 0.000 0.271 688 P C -0.220 177.097 177.300 0.029 0.000 1.218 688 P CA 0.088 63.210 63.100 0.036 0.000 0.780 688 P CB 0.739 32.465 31.700 0.043 0.000 0.901 689 E N 1.513 121.730 120.200 0.028 0.000 2.028 689 E HA -0.066 4.292 4.350 0.013 0.000 0.191 689 E C 0.696 177.310 176.600 0.024 0.000 0.988 689 E CA 0.596 57.010 56.400 0.023 0.000 0.799 689 E CB -0.395 29.317 29.700 0.020 0.000 0.755 689 E HN 0.528 nan 8.360 nan 0.000 0.447 690 S N 0.471 116.189 115.700 0.029 0.000 2.768 690 S HA 0.703 5.180 4.470 0.013 0.000 0.300 690 S C 0.152 174.774 174.600 0.037 0.000 1.122 690 S CA -0.655 57.563 58.200 0.032 0.000 0.995 690 S CB 1.357 64.576 63.200 0.033 0.000 1.195 690 S HN 0.435 nan 8.310 nan 0.000 0.547 691 A N -0.411 122.432 122.820 0.040 0.000 2.366 691 A HA 0.750 5.078 4.320 0.013 0.000 0.249 691 A C 0.861 178.480 177.584 0.058 0.000 1.084 691 A CA 0.228 52.291 52.037 0.044 0.000 0.794 691 A CB -0.727 18.299 19.000 0.043 0.000 1.034 691 A HN 2.265 nan 8.150 nan 0.000 0.491 692 G N -0.797 108.040 108.800 0.062 0.000 2.361 692 G HA2 0.434 4.402 3.960 0.013 0.000 0.331 692 G HA3 0.434 4.402 3.960 0.013 0.000 0.331 692 G C -1.150 173.798 174.900 0.079 0.000 1.324 692 G CA -0.208 44.944 45.100 0.088 0.000 0.984 692 G HN 1.118 nan 8.290 nan 0.000 0.586 693 Q N -0.343 119.529 119.800 0.119 0.000 2.290 693 Q HA 0.731 5.079 4.340 0.013 0.000 0.259 693 Q C -0.348 175.731 176.000 0.132 0.000 0.941 693 Q CA -0.541 55.297 55.803 0.058 0.000 0.912 693 Q CB 1.286 30.036 28.738 0.019 0.000 1.244 693 Q HN 0.566 nan 8.270 nan 0.000 0.441 694 L N 4.408 125.640 121.223 0.016 0.000 2.305 694 L HA 0.450 4.798 4.340 0.013 0.000 0.281 694 L C -0.866 176.018 176.870 0.023 0.000 1.085 694 L CA -0.421 54.475 54.840 0.093 0.000 0.813 694 L CB 0.679 42.770 42.059 0.053 0.000 1.157 694 L HN 0.672 nan 8.230 nan 0.000 0.436 695 W N 4.632 126.001 121.300 0.115 0.000 2.587 695 W HA 0.489 5.157 4.660 0.013 0.000 0.324 695 W C -0.658 175.969 176.519 0.180 0.000 1.040 695 W CA -0.538 56.897 57.345 0.150 0.000 1.222 695 W CB 1.628 31.204 29.460 0.192 0.000 1.381 695 W HN 0.138 nan 8.180 nan 0.000 0.483 696 L N 3.784 125.268 121.223 0.435 0.000 2.282 696 L HA 0.732 5.080 4.340 0.013 0.000 0.288 696 L C -0.304 176.851 176.870 0.475 0.000 1.033 696 L CA 0.230 55.319 54.840 0.417 0.000 0.807 696 L CB 1.156 43.433 42.059 0.363 0.000 1.209 696 L HN 0.300 nan 8.230 nan 0.000 0.423 697 T N 5.275 120.062 114.554 0.389 0.000 2.824 697 T HA 0.676 5.034 4.350 0.013 0.000 0.282 697 T C -0.825 174.057 174.700 0.304 0.000 0.993 697 T CA -0.395 61.892 62.100 0.312 0.000 0.967 697 T CB 1.504 70.499 68.868 0.213 0.000 0.960 697 T HN 0.628 nan 8.240 nan 0.000 0.441 698 V N 1.796 121.862 119.914 0.253 0.000 2.823 698 V HA 0.954 5.081 4.120 0.013 0.000 0.312 698 V C -1.002 175.166 176.094 0.123 0.000 1.072 698 V CA -1.317 61.107 62.300 0.207 0.000 0.937 698 V CB 2.052 33.975 31.823 0.166 0.000 1.013 698 V HN 1.010 nan 8.190 nan 0.000 0.430 699 R N 2.063 122.664 120.500 0.167 0.000 2.604 699 R HA 0.797 5.145 4.340 0.013 0.000 0.270 699 R C -1.958 174.436 176.300 0.157 0.000 1.052 699 R CA -0.851 55.371 56.100 0.204 0.000 0.902 699 R CB 1.979 32.409 30.300 0.217 0.000 1.233 699 R HN 0.522 nan 8.270 nan 0.000 0.455 700 V N 2.550 122.591 119.914 0.211 0.000 2.432 700 V HA 0.335 4.463 4.120 0.013 0.000 0.275 700 V C -0.107 176.025 176.094 0.065 0.000 1.043 700 V CA -0.508 61.860 62.300 0.112 0.000 0.925 700 V CB 1.440 33.349 31.823 0.144 0.000 0.985 700 V HN 0.521 nan 8.190 nan 0.000 0.466 701 V N 5.152 125.024 119.914 -0.071 0.000 2.604 701 V HA 0.398 4.526 4.120 0.013 0.000 0.305 701 V C -0.267 175.820 176.094 -0.012 0.000 1.043 701 V CA -0.799 61.453 62.300 -0.081 0.000 0.888 701 V CB 2.015 33.664 31.823 -0.290 0.000 0.995 701 V HN 0.895 nan 8.190 nan 0.000 0.429 702 Q N 4.872 124.712 119.800 0.067 0.000 2.421 702 Q HA 0.254 4.602 4.340 0.013 0.000 0.242 702 Q C -1.905 174.109 176.000 0.024 0.000 1.024 702 Q CA -1.735 54.110 55.803 0.071 0.000 0.891 702 Q CB 1.621 30.426 28.738 0.112 0.000 1.222 702 Q HN 0.465 nan 8.270 nan 0.000 0.483 703 P HA -0.201 nan 4.420 nan 0.000 0.216 703 P C -0.556 176.742 177.300 -0.003 0.000 1.150 703 P CA 1.305 64.410 63.100 0.009 0.000 0.837 703 P CB 0.348 32.056 31.700 0.014 0.000 0.786 704 N N -0.932 117.758 118.700 -0.018 0.000 2.456 704 N HA 0.474 5.222 4.740 0.013 0.000 0.296 704 N C -0.550 174.907 175.510 -0.088 0.000 1.102 704 N CA -0.779 52.246 53.050 -0.041 0.000 0.924 704 N CB 1.037 39.502 38.487 -0.036 0.000 1.186 704 N HN -0.094 nan 8.380 nan 0.000 0.492 705 A N 0.617 123.378 122.820 -0.099 0.000 2.386 705 A HA 0.494 4.822 4.320 0.013 0.000 0.248 705 A C 0.555 178.011 177.584 -0.214 0.000 1.082 705 A CA -0.128 51.813 52.037 -0.159 0.000 0.789 705 A CB 0.063 18.997 19.000 -0.109 0.000 1.025 705 A HN 0.709 nan 8.150 nan 0.000 0.490 706 T N -2.620 111.717 114.554 -0.362 0.000 2.724 706 T HA 0.632 4.990 4.350 0.013 0.000 0.274 706 T C 0.980 175.507 174.700 -0.290 0.000 0.984 706 T CA 0.059 61.921 62.100 -0.397 0.000 1.024 706 T CB 1.091 69.472 68.868 -0.813 0.000 1.320 706 T HN 1.263 nan 8.240 nan 0.000 0.555 707 A N -0.256 122.478 122.820 -0.142 0.000 2.119 707 A HA 0.152 4.480 4.320 0.013 0.000 0.217 707 A C 1.617 179.349 177.584 0.247 0.000 1.153 707 A CA 0.798 52.882 52.037 0.078 0.000 0.692 707 A CB -0.819 18.259 19.000 0.131 0.000 0.799 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.751 120.611 121.300 0.104 0.000 2.714 708 W HA 0.411 5.080 4.660 0.014 0.000 0.353 708 W C -0.159 176.322 176.519 -0.062 0.000 0.999 708 W CA 0.502 57.868 57.345 0.034 0.000 1.629 708 W CB -0.974 28.492 29.460 0.009 0.000 1.106 708 W HN 0.404 nan 8.180 nan 0.000 0.545 709 S N -0.033 115.270 115.700 -0.660 0.000 2.596 709 S HA 0.464 4.942 4.470 0.013 0.000 0.270 709 S C -1.016 173.355 174.600 -0.382 0.000 1.155 709 S CA -0.736 57.096 58.200 -0.613 0.000 0.827 709 S CB 2.764 65.211 63.200 -1.255 0.000 1.130 709 S HN 0.109 nan 8.310 nan 0.000 0.467 710 E N 0.475 120.558 120.200 -0.195 0.000 2.318 710 E HA 0.592 4.950 4.350 0.013 0.000 0.265 710 E C 0.127 176.692 176.600 -0.059 0.000 1.069 710 E CA -0.858 55.488 56.400 -0.089 0.000 0.893 710 E CB 1.331 31.026 29.700 -0.010 0.000 1.076 710 E HN 0.861 nan 8.360 nan 0.000 0.414 711 A N 0.758 123.554 122.820 -0.040 0.000 2.511 711 A HA 0.407 4.735 4.320 0.013 0.000 0.242 711 A C 1.098 178.697 177.584 0.026 0.000 1.069 711 A CA 0.768 52.795 52.037 -0.016 0.000 0.763 711 A CB -0.377 18.615 19.000 -0.014 0.000 1.001 711 A HN 0.805 nan 8.150 nan 0.000 0.498 712 G N 0.403 109.228 108.800 0.041 0.000 2.175 712 G HA2 -0.234 3.734 3.960 0.013 0.000 0.244 712 G HA3 -0.234 3.734 3.960 0.013 0.000 0.244 712 G C 0.343 175.292 174.900 0.081 0.000 0.982 712 G CA 0.379 45.512 45.100 0.055 0.000 0.641 712 G HN 1.465 nan 8.290 nan 0.000 0.527 713 H N 0.957 120.032 119.070 0.009 0.000 3.034 713 H HA 0.293 4.857 4.556 0.013 0.000 0.324 713 H C 0.252 175.645 175.328 0.109 0.000 1.015 713 H CA 0.482 56.561 56.048 0.053 0.000 1.429 713 H CB 0.208 29.982 29.762 0.019 0.000 1.429 713 H HN 0.306 nan 8.280 nan 0.000 0.585 714 I N 4.906 125.242 120.570 -0.390 0.000 2.325 714 I HA -0.061 4.117 4.170 0.013 0.000 0.291 714 I C 1.272 177.252 176.117 -0.228 0.000 1.019 714 I CA -0.083 61.112 61.300 -0.175 0.000 1.302 714 I CB 1.606 39.575 38.000 -0.051 0.000 1.401 714 I HN 0.601 nan 8.210 nan 0.000 0.485 715 S N 4.052 119.834 115.700 0.136 0.000 2.512 715 S HA 0.567 5.045 4.470 0.013 0.000 0.216 715 S C 0.425 175.292 174.600 0.444 0.000 1.006 715 S CA -0.072 58.348 58.200 0.366 0.000 0.915 715 S CB 0.620 64.153 63.200 0.556 0.000 0.824 715 S HN 0.713 nan 8.310 nan 0.000 0.497 716 A N 0.548 123.665 122.820 0.494 0.000 2.605 716 A HA 0.672 5.000 4.320 0.013 0.000 0.294 716 A C -1.773 176.155 177.584 0.574 0.000 1.062 716 A CA -0.868 51.443 52.037 0.456 0.000 0.682 716 A CB 0.455 19.793 19.000 0.563 0.000 1.278 716 A HN 0.937 nan 8.150 nan 0.000 0.410 717 W N -0.028 121.436 121.300 0.272 0.000 3.005 717 W HA 0.806 5.475 4.660 0.015 0.000 0.343 717 W C -1.248 175.286 176.519 0.026 0.000 1.243 717 W CA -0.585 56.797 57.345 0.061 0.000 1.186 717 W CB 1.116 30.600 29.460 0.041 0.000 1.453 717 W HN 1.048 nan 8.180 nan 0.000 0.575 718 Q N 0.980 120.783 119.800 0.004 0.000 2.594 718 Q HA 0.412 4.760 4.340 0.013 0.000 0.278 718 Q C -1.656 174.174 176.000 -0.282 0.000 0.961 718 Q CA -0.457 55.200 55.803 -0.243 0.000 0.844 718 Q CB 2.300 30.687 28.738 -0.584 0.000 1.475 718 Q HN 0.621 nan 8.270 nan 0.000 0.389 719 Q N 1.212 120.788 119.800 -0.374 0.000 2.433 719 Q HA 0.657 5.005 4.340 0.013 0.000 0.279 719 Q C -1.195 174.631 176.000 -0.290 0.000 1.105 719 Q CA -0.721 55.035 55.803 -0.079 0.000 0.815 719 Q CB 2.336 31.231 28.738 0.261 0.000 1.403 719 Q HN 0.596 nan 8.270 nan 0.000 0.435 720 W N 0.925 122.364 121.300 0.232 0.000 3.217 720 W HA 0.407 5.074 4.660 0.013 0.000 0.323 720 W C -0.536 175.902 176.519 -0.134 0.000 1.216 720 W CA -0.603 56.777 57.345 0.058 0.000 1.194 720 W CB 1.728 31.207 29.460 0.032 0.000 1.397 720 W HN 0.435 nan 8.180 nan 0.000 0.537 721 R N 2.176 122.571 120.500 -0.174 0.000 2.265 721 R HA 0.462 4.810 4.340 0.013 0.000 0.314 721 R C 0.514 176.677 176.300 -0.229 0.000 1.053 721 R CA -0.188 55.562 56.100 -0.584 0.000 0.931 721 R CB 1.220 31.102 30.300 -0.698 0.000 1.024 721 R HN 0.311 nan 8.270 nan 0.000 0.457 722 L N 1.431 122.532 121.223 -0.203 0.000 2.719 722 L HA 0.499 4.847 4.340 0.013 0.000 0.182 722 L C 0.708 177.510 176.870 -0.113 0.000 1.940 722 L CA -0.889 53.892 54.840 -0.098 0.000 2.839 722 L CB -0.139 41.901 42.059 -0.032 0.000 2.949 722 L HN 0.585 nan 8.230 nan 0.000 0.669 723 A N 0.363 123.142 122.820 -0.068 0.000 2.425 723 A HA 0.216 4.544 4.320 0.013 0.000 0.242 723 A C -0.292 177.255 177.584 -0.061 0.000 1.077 723 A CA 0.209 52.213 52.037 -0.056 0.000 0.781 723 A CB 0.157 19.139 19.000 -0.029 0.000 1.020 723 A HN 0.611 nan 8.150 nan 0.000 0.494 724 E N 1.153 121.322 120.200 -0.052 0.000 2.272 724 E HA 0.324 4.682 4.350 0.013 0.000 0.269 724 E C -1.481 175.111 176.600 -0.013 0.000 0.877 724 E CA -0.717 55.660 56.400 -0.039 0.000 0.755 724 E CB 1.000 30.664 29.700 -0.060 0.000 1.192 724 E HN 0.682 nan 8.360 nan 0.000 0.422 725 N N 5.141 123.845 118.700 0.006 0.000 2.564 725 N HA 0.262 5.010 4.740 0.013 0.000 0.248 725 N C -0.612 174.912 175.510 0.022 0.000 0.986 725 N CA -0.353 52.706 53.050 0.014 0.000 0.921 725 N CB 1.201 39.700 38.487 0.019 0.000 1.136 725 N HN 0.495 nan 8.380 nan 0.000 0.509 726 L N 1.029 122.263 121.223 0.019 0.000 2.453 726 L HA 0.067 4.415 4.340 0.013 0.000 0.272 726 L C 1.335 178.223 176.870 0.030 0.000 1.182 726 L CA 0.151 55.007 54.840 0.026 0.000 0.858 726 L CB 0.463 42.535 42.059 0.022 0.000 1.120 726 L HN 0.373 nan 8.230 nan 0.000 0.474 727 S N 2.287 118.010 115.700 0.038 0.000 2.510 727 S HA 0.237 4.714 4.470 0.013 0.000 0.279 727 S C 0.559 175.179 174.600 0.034 0.000 1.284 727 S CA -0.733 57.490 58.200 0.038 0.000 1.059 727 S CB 0.799 64.026 63.200 0.046 0.000 0.901 727 S HN 0.477 nan 8.310 nan 0.000 0.491 728 V N 2.093 122.024 119.914 0.029 0.000 3.346 728 V HA 0.360 4.488 4.120 0.013 0.000 0.309 728 V C 0.532 176.642 176.094 0.026 0.000 1.457 728 V CA 0.112 62.428 62.300 0.026 0.000 1.069 728 V CB -0.507 31.329 31.823 0.021 0.000 0.944 728 V HN 0.870 nan 8.190 nan 0.000 0.449 729 T N 1.919 116.490 114.554 0.028 0.000 2.728 729 T HA 0.658 5.016 4.350 0.013 0.000 0.296 729 T C 0.014 174.732 174.700 0.030 0.000 0.940 729 T CA -0.496 61.621 62.100 0.028 0.000 1.013 729 T CB 1.069 69.954 68.868 0.028 0.000 0.912 729 T HN 0.669 nan 8.240 nan 0.000 0.484 730 L N 2.590 123.829 121.223 0.028 0.000 2.439 730 L HA 0.584 4.932 4.340 0.013 0.000 0.269 730 L C -1.750 175.139 176.870 0.032 0.000 1.179 730 L CA -1.791 53.066 54.840 0.028 0.000 0.828 730 L CB -0.568 41.505 42.059 0.023 0.000 1.106 730 L HN 0.406 nan 8.230 nan 0.000 0.467 731 P HA 0.163 nan 4.420 nan 0.000 0.271 731 P C -0.405 176.918 177.300 0.038 0.000 1.218 731 P CA -0.376 62.747 63.100 0.039 0.000 0.780 731 P CB 0.835 32.560 31.700 0.041 0.000 0.901 732 A N 2.382 125.229 122.820 0.045 0.000 2.565 732 A HA 0.373 4.701 4.320 0.013 0.000 0.237 732 A C 0.852 178.471 177.584 0.058 0.000 1.053 732 A CA 0.138 52.208 52.037 0.054 0.000 0.755 732 A CB -0.583 18.454 19.000 0.061 0.000 0.980 732 A HN 0.749 nan 8.150 nan 0.000 0.506 733 A N 2.885 125.740 122.820 0.058 0.000 2.511 733 A HA 0.484 4.812 4.320 0.013 0.000 0.242 733 A C 0.911 178.534 177.584 0.064 0.000 1.069 733 A CA 0.447 52.498 52.037 0.022 0.000 0.763 733 A CB -0.300 18.683 19.000 -0.028 0.000 1.001 733 A HN 1.930 nan 8.150 nan 0.000 0.498 734 S N 1.384 117.093 115.700 0.015 0.000 2.508 734 S HA 0.477 4.955 4.470 0.013 0.000 0.284 734 S C -0.218 174.377 174.600 -0.007 0.000 1.192 734 S CA -0.537 57.710 58.200 0.078 0.000 1.070 734 S CB 0.683 63.917 63.200 0.055 0.000 1.004 734 S HN 0.644 nan 8.310 nan 0.000 0.493 735 H N 1.120 120.205 119.070 0.024 0.000 2.524 735 H HA 0.654 5.218 4.556 0.013 0.000 0.299 735 H C 0.241 175.584 175.328 0.026 0.000 1.074 735 H CA 0.377 56.438 56.048 0.022 0.000 1.115 735 H CB 0.106 29.879 29.762 0.019 0.000 1.522 735 H HN 0.856 nan 8.280 nan 0.000 0.543 736 A N 0.705 123.587 122.820 0.103 0.000 2.449 736 A HA 0.643 4.971 4.320 0.013 0.000 0.302 736 A C -0.956 176.664 177.584 0.060 0.000 1.048 736 A CA -0.619 51.468 52.037 0.084 0.000 0.708 736 A CB 1.316 20.372 19.000 0.093 0.000 1.274 736 A HN 0.250 nan 8.150 nan 0.000 0.410 737 I N 2.464 123.070 120.570 0.061 0.000 2.465 737 I HA 0.362 4.540 4.170 0.013 0.000 0.291 737 I C -2.386 173.779 176.117 0.081 0.000 1.014 737 I CA -2.169 59.163 61.300 0.052 0.000 1.093 737 I CB 2.429 40.453 38.000 0.040 0.000 1.267 737 I HN 0.412 nan 8.210 nan 0.000 0.431 738 P HA 0.100 nan 4.420 nan 0.000 0.271 738 P C -0.975 176.390 177.300 0.109 0.000 1.216 738 P CA 0.061 63.218 63.100 0.096 0.000 0.776 738 P CB 0.368 32.077 31.700 0.015 0.000 0.881 739 H N 3.046 122.156 119.070 0.066 0.000 2.469 739 H HA 0.394 4.958 4.556 0.013 0.000 0.342 739 H C -1.196 174.171 175.328 0.064 0.000 1.115 739 H CA -0.892 55.186 56.048 0.050 0.000 1.204 739 H CB 1.278 31.070 29.762 0.050 0.000 1.492 739 H HN 0.241 nan 8.280 nan 0.000 0.499 740 L N 4.626 125.525 121.223 -0.540 0.000 2.275 740 L HA 0.300 4.647 4.340 0.013 0.000 0.288 740 L C -0.615 176.122 176.870 -0.222 0.000 1.046 740 L CA -0.019 54.657 54.840 -0.274 0.000 0.805 740 L CB 1.339 43.249 42.059 -0.249 0.000 1.193 740 L HN 0.555 nan 8.230 nan 0.000 0.426 741 T N 3.725 118.325 114.554 0.076 0.000 2.770 741 T HA 0.518 4.876 4.350 0.013 0.000 0.283 741 T C -0.307 174.498 174.700 0.175 0.000 0.988 741 T CA -0.349 61.844 62.100 0.156 0.000 0.957 741 T CB 0.976 69.957 68.868 0.187 0.000 0.930 741 T HN 0.694 nan 8.240 nan 0.000 0.443 742 T N 2.911 117.559 114.554 0.157 0.000 2.855 742 T HA 0.746 5.103 4.350 0.013 0.000 0.281 742 T C -0.088 174.650 174.700 0.062 0.000 1.007 742 T CA -0.783 61.420 62.100 0.172 0.000 1.009 742 T CB 1.381 70.390 68.868 0.235 0.000 0.983 742 T HN 0.703 nan 8.240 nan 0.000 0.455 743 S N 0.776 116.462 115.700 -0.022 0.000 2.651 743 S HA 0.447 4.925 4.470 0.013 0.000 0.279 743 S C 0.792 175.316 174.600 -0.126 0.000 1.148 743 S CA -0.910 57.263 58.200 -0.046 0.000 0.837 743 S CB 1.820 65.005 63.200 -0.025 0.000 1.138 743 S HN 0.724 nan 8.310 nan 0.000 0.478 744 E N -0.474 119.670 120.200 -0.093 0.000 2.153 744 E HA -0.160 4.198 4.350 0.013 0.000 0.194 744 E C 1.432 177.938 176.600 -0.155 0.000 0.988 744 E CA 1.257 57.588 56.400 -0.115 0.000 0.811 744 E CB -0.108 29.553 29.700 -0.065 0.000 0.746 744 E HN 0.617 nan 8.360 nan 0.000 0.466 745 M N 0.397 119.924 119.600 -0.122 0.000 2.501 745 M HA 0.151 4.639 4.480 0.013 0.000 0.261 745 M C -0.947 175.278 176.300 -0.126 0.000 1.129 745 M CA 0.737 55.975 55.300 -0.103 0.000 1.126 745 M CB 0.730 33.305 32.600 -0.041 0.000 1.359 745 M HN -0.139 nan 8.290 nan 0.000 0.471 746 D N -1.821 118.482 120.400 -0.161 0.000 2.602 746 D HA 0.390 5.038 4.640 0.013 0.000 0.236 746 D C -1.625 174.592 176.300 -0.138 0.000 1.209 746 D CA -0.236 53.701 54.000 -0.106 0.000 0.831 746 D CB 1.300 42.132 40.800 0.053 0.000 1.478 746 D HN -0.182 nan 8.370 nan 0.000 0.438 747 F N 1.031 121.058 119.950 0.129 0.000 2.427 747 F HA 0.459 4.994 4.527 0.013 0.000 0.348 747 F C -0.416 175.506 175.800 0.202 0.000 1.125 747 F CA -1.057 57.001 58.000 0.098 0.000 0.989 747 F CB 1.097 40.102 39.000 0.008 0.000 1.165 747 F HN 0.267 nan 8.300 nan 0.000 0.442 748 C N 5.155 124.673 119.300 0.363 0.000 2.379 748 C HA 0.749 5.217 4.460 0.013 0.000 0.323 748 C C -0.118 175.056 174.990 0.306 0.000 1.262 748 C CA -0.822 58.404 59.018 0.348 0.000 1.581 748 C CB 0.583 28.477 27.740 0.257 0.000 2.221 748 C HN 0.513 nan 8.230 nan 0.000 0.497 749 I N 2.542 123.351 120.570 0.398 0.000 2.493 749 I HA 0.539 4.717 4.170 0.013 0.000 0.298 749 I C 0.004 176.418 176.117 0.496 0.000 0.998 749 I CA -0.073 61.443 61.300 0.361 0.000 1.137 749 I CB 1.297 39.467 38.000 0.282 0.000 1.310 749 I HN 0.663 nan 8.210 nan 0.000 0.445 750 E N 5.308 125.740 120.200 0.387 0.000 2.293 750 E HA 0.736 5.094 4.350 0.013 0.000 0.270 750 E C -1.978 174.820 176.600 0.330 0.000 0.879 750 E CA -0.816 55.789 56.400 0.342 0.000 0.756 750 E CB 2.290 32.113 29.700 0.206 0.000 1.208 750 E HN 0.490 nan 8.360 nan 0.000 0.428 751 L N 4.463 125.875 121.223 0.315 0.000 2.580 751 L HA 0.532 4.880 4.340 0.013 0.000 0.266 751 L C 0.144 177.106 176.870 0.154 0.000 0.955 751 L CA 0.841 55.834 54.840 0.255 0.000 0.886 751 L CB 1.375 43.653 42.059 0.365 0.000 1.263 751 L HN 0.805 nan 8.230 nan 0.000 0.406 752 G N 4.442 113.301 108.800 0.097 0.000 2.634 752 G HA2 -0.413 3.555 3.960 0.013 0.000 0.309 752 G HA3 -0.413 3.555 3.960 0.013 0.000 0.309 752 G C 0.453 175.366 174.900 0.022 0.000 1.265 752 G CA 0.590 45.721 45.100 0.053 0.000 0.998 752 G HN 1.347 nan 8.290 nan 0.000 0.551 753 N N 1.446 120.146 118.700 0.000 0.000 2.375 753 N HA 0.137 4.885 4.740 0.013 0.000 0.220 753 N C 0.144 175.616 175.510 -0.063 0.000 1.170 753 N CA 0.609 53.642 53.050 -0.029 0.000 0.833 753 N CB 0.189 38.659 38.487 -0.029 0.000 1.069 753 N HN 0.735 nan 8.380 nan 0.000 0.479 754 K N 0.294 120.643 120.400 -0.084 0.000 2.316 754 K HA 0.486 4.814 4.320 0.013 0.000 0.251 754 K C -0.784 175.627 176.600 -0.315 0.000 0.934 754 K CA -0.721 55.402 56.287 -0.273 0.000 0.802 754 K CB 2.665 34.943 32.500 -0.370 0.000 1.171 754 K HN 0.029 nan 8.250 nan 0.000 0.426 755 R N 2.037 122.255 120.500 -0.470 0.000 2.626 755 R HA 0.371 4.719 4.340 0.013 0.000 0.274 755 R C -1.610 174.544 176.300 -0.244 0.000 1.031 755 R CA -0.613 55.398 56.100 -0.148 0.000 0.898 755 R CB 1.385 31.748 30.300 0.104 0.000 1.222 755 R HN 0.610 nan 8.270 nan 0.000 0.455 756 W N 2.978 124.398 121.300 0.200 0.000 2.666 756 W HA 0.367 5.035 4.660 0.013 0.000 0.334 756 W C -0.630 176.011 176.519 0.203 0.000 1.051 756 W CA -0.674 56.736 57.345 0.108 0.000 1.224 756 W CB 2.155 31.701 29.460 0.143 0.000 1.405 756 W HN 0.491 nan 8.180 nan 0.000 0.513 757 Q N 2.452 122.384 119.800 0.220 0.000 2.292 757 Q HA 0.405 4.753 4.340 0.013 0.000 0.270 757 Q C -1.992 174.016 176.000 0.013 0.000 1.024 757 Q CA -0.457 55.498 55.803 0.255 0.000 0.768 757 Q CB 1.341 30.276 28.738 0.329 0.000 1.250 757 Q HN 0.313 nan 8.270 nan 0.000 0.447 758 F N 2.710 122.741 119.950 0.134 0.000 2.411 758 F HA 0.327 4.862 4.527 0.013 0.000 0.352 758 F C 0.531 176.378 175.800 0.078 0.000 1.123 758 F CA -0.950 57.102 58.000 0.086 0.000 1.044 758 F CB 1.272 40.317 39.000 0.074 0.000 1.135 758 F HN 0.498 nan 8.300 nan 0.000 0.461 759 N N 3.782 122.594 118.700 0.186 0.000 2.405 759 N HA 0.058 4.806 4.740 0.013 0.000 0.260 759 N C 0.938 176.491 175.510 0.072 0.000 1.152 759 N CA 0.053 53.167 53.050 0.107 0.000 0.948 759 N CB 0.601 39.150 38.487 0.103 0.000 1.111 759 N HN 0.675 nan 8.380 nan 0.000 0.485 760 R N 2.236 122.714 120.500 -0.037 0.000 2.328 760 R HA -0.108 4.240 4.340 0.013 0.000 0.207 760 R C 1.561 177.822 176.300 -0.066 0.000 1.056 760 R CA 0.747 56.784 56.100 -0.105 0.000 1.016 760 R CB 0.205 30.309 30.300 -0.326 0.000 0.872 760 R HN 0.690 nan 8.270 nan 0.000 0.471 761 Q N 0.171 119.954 119.800 -0.029 0.000 2.226 761 Q HA -0.064 4.284 4.340 0.013 0.000 0.199 761 Q C 1.857 177.857 176.000 -0.000 0.000 0.945 761 Q CA 1.423 57.215 55.803 -0.018 0.000 0.861 761 Q CB 0.328 29.067 28.738 0.002 0.000 0.953 761 Q HN 0.311 nan 8.270 nan 0.000 0.490 762 S N -1.746 113.983 115.700 0.048 0.000 2.456 762 S HA 0.198 4.676 4.470 0.013 0.000 0.224 762 S C 1.403 175.985 174.600 -0.030 0.000 1.035 762 S CA 0.650 58.910 58.200 0.099 0.000 0.940 762 S CB 0.517 63.878 63.200 0.269 0.000 0.799 762 S HN 0.612 nan 8.310 nan 0.000 0.508 763 G N 0.490 109.276 108.800 -0.024 0.000 2.136 763 G HA2 -0.188 3.780 3.960 0.013 0.000 0.242 763 G HA3 -0.188 3.780 3.960 0.013 0.000 0.242 763 G C -0.193 174.683 174.900 -0.040 0.000 0.989 763 G CA 0.249 45.309 45.100 -0.066 0.000 0.682 763 G HN 0.463 nan 8.290 nan 0.000 0.522 764 F N -1.264 118.857 119.950 0.284 0.000 2.575 764 F HA 0.734 5.269 4.527 0.013 0.000 0.330 764 F C 0.382 176.169 175.800 -0.020 0.000 1.056 764 F CA -1.723 56.385 58.000 0.181 0.000 0.964 764 F CB 1.271 40.341 39.000 0.117 0.000 1.258 764 F HN 0.018 nan 8.300 nan 0.000 0.484 765 L N 1.700 122.920 121.223 -0.006 0.000 2.407 765 L HA 0.240 4.588 4.340 0.013 0.000 0.282 765 L C 0.941 177.674 176.870 -0.227 0.000 1.110 765 L CA 0.392 54.911 54.840 -0.535 0.000 0.863 765 L CB 0.142 41.833 42.059 -0.613 0.000 1.207 765 L HN 0.676 nan 8.230 nan 0.000 0.454 766 S N 2.581 118.165 115.700 -0.193 0.000 2.503 766 S HA 0.229 4.706 4.470 0.013 0.000 0.217 766 S C 0.603 175.060 174.600 -0.237 0.000 0.999 766 S CA -0.012 58.114 58.200 -0.123 0.000 0.914 766 S CB 0.033 63.218 63.200 -0.026 0.000 0.782 766 S HN 0.679 nan 8.310 nan 0.000 0.520 767 Q N -0.321 119.263 119.800 -0.361 0.000 2.545 767 Q HA 0.619 4.967 4.340 0.013 0.000 0.273 767 Q C -2.047 173.514 176.000 -0.730 0.000 0.975 767 Q CA -0.195 55.238 55.803 -0.618 0.000 0.876 767 Q CB 1.570 29.810 28.738 -0.830 0.000 1.472 767 Q HN 0.416 nan 8.270 nan 0.000 0.389 768 M N 1.811 120.890 119.600 -0.867 0.000 2.446 768 M HA 0.587 5.075 4.480 0.013 0.000 0.294 768 M C -1.415 174.431 176.300 -0.756 0.000 1.158 768 M CA -0.474 54.396 55.300 -0.717 0.000 0.899 768 M CB 2.123 34.339 32.600 -0.640 0.000 1.687 768 M HN 0.471 nan 8.290 nan 0.000 0.455 769 W N 3.618 124.699 121.300 -0.364 0.000 2.656 769 W HA 0.493 5.161 4.660 0.013 0.000 0.327 769 W C -1.146 175.193 176.519 -0.300 0.000 1.041 769 W CA -0.672 56.516 57.345 -0.262 0.000 1.229 769 W CB 1.813 31.155 29.460 -0.197 0.000 1.397 769 W HN 0.399 nan 8.180 nan 0.000 0.479 770 I N 3.999 124.564 120.570 -0.008 0.000 2.442 770 I HA 0.291 4.469 4.170 0.013 0.000 0.279 770 I C 0.951 177.060 176.117 -0.013 0.000 1.081 770 I CA 0.253 61.511 61.300 -0.069 0.000 1.197 770 I CB 0.139 38.081 38.000 -0.098 0.000 1.394 770 I HN 0.798 nan 8.210 nan 0.000 0.488 771 G N 6.706 115.497 108.800 -0.015 0.000 2.652 771 G HA2 -0.317 3.651 3.960 0.013 0.000 0.278 771 G HA3 -0.317 3.651 3.960 0.013 0.000 0.278 771 G C 0.233 175.137 174.900 0.005 0.000 1.263 771 G CA 0.564 45.655 45.100 -0.016 0.000 0.966 771 G HN 0.576 nan 8.290 nan 0.000 0.544 772 D N 0.221 120.637 120.400 0.025 0.000 2.503 772 D HA 0.472 5.120 4.640 0.013 0.000 0.218 772 D C 0.553 176.951 176.300 0.163 0.000 1.183 772 D CA 0.375 54.398 54.000 0.038 0.000 0.827 772 D CB 0.641 41.430 40.800 -0.018 0.000 1.034 772 D HN 0.510 nan 8.370 nan 0.000 0.510 773 K N 1.678 122.174 120.400 0.160 0.000 2.211 773 K HA 0.280 4.608 4.320 0.013 0.000 0.275 773 K C -0.429 176.238 176.600 0.111 0.000 1.024 773 K CA -0.590 55.770 56.287 0.121 0.000 0.887 773 K CB 0.834 33.350 32.500 0.028 0.000 1.084 773 K HN -0.131 nan 8.250 nan 0.000 0.463 774 K N 3.737 124.152 120.400 0.025 0.000 2.368 774 K HA 0.052 4.380 4.320 0.013 0.000 0.282 774 K C 0.482 176.940 176.600 -0.236 0.000 1.035 774 K CA -0.414 55.698 56.287 -0.292 0.000 0.973 774 K CB 0.807 33.180 32.500 -0.212 0.000 0.957 774 K HN 0.551 nan 8.250 nan 0.000 0.474 775 Q N 1.389 120.991 119.800 -0.329 0.000 2.376 775 Q HA 0.151 4.499 4.340 0.013 0.000 0.206 775 Q C 0.411 176.333 176.000 -0.129 0.000 0.921 775 Q CA 0.677 56.399 55.803 -0.135 0.000 0.911 775 Q CB 0.297 28.988 28.738 -0.078 0.000 1.032 775 Q HN 0.528 nan 8.270 nan 0.000 0.510 776 L N 0.354 121.425 121.223 -0.254 0.000 2.342 776 L HA 0.375 4.723 4.340 0.013 0.000 0.271 776 L C 0.925 177.665 176.870 -0.217 0.000 1.008 776 L CA -0.393 54.315 54.840 -0.220 0.000 0.818 776 L CB 1.655 43.564 42.059 -0.249 0.000 1.296 776 L HN -0.086 nan 8.230 nan 0.000 0.427 777 L N 0.073 121.163 121.223 -0.221 0.000 2.537 777 L HA 0.259 4.607 4.340 0.013 0.000 0.224 777 L C 0.044 176.801 176.870 -0.189 0.000 1.065 777 L CA 0.592 55.314 54.840 -0.196 0.000 0.860 777 L CB 0.720 42.645 42.059 -0.223 0.000 1.086 777 L HN 0.603 nan 8.230 nan 0.000 0.482 778 T N 0.223 114.631 114.554 -0.244 0.000 2.916 778 T HA 0.389 4.747 4.350 0.013 0.000 0.298 778 T C -2.575 172.036 174.700 -0.149 0.000 1.031 778 T CA -1.141 60.855 62.100 -0.174 0.000 0.993 778 T CB 2.521 71.262 68.868 -0.211 0.000 1.045 778 T HN -0.278 nan 8.240 nan 0.000 0.454 779 P HA 0.135 nan 4.420 nan 0.000 0.268 779 P C -0.621 176.619 177.300 -0.100 0.000 1.208 779 P CA -0.681 62.368 63.100 -0.085 0.000 0.777 779 P CB 0.423 32.109 31.700 -0.023 0.000 0.875 780 L N 4.253 125.440 121.223 -0.060 0.000 2.385 780 L HA 0.227 4.575 4.340 0.013 0.000 0.281 780 L C 0.098 176.876 176.870 -0.154 0.000 1.106 780 L CA 0.758 55.592 54.840 -0.009 0.000 0.856 780 L CB -0.613 41.532 42.059 0.143 0.000 1.186 780 L HN 0.306 nan 8.230 nan 0.000 0.453 781 R N 2.810 123.133 120.500 -0.295 0.000 2.837 781 R HA 0.469 4.817 4.340 0.013 0.000 0.271 781 R C -1.014 175.097 176.300 -0.314 0.000 0.993 781 R CA -1.042 54.669 56.100 -0.649 0.000 0.931 781 R CB 1.201 31.008 30.300 -0.822 0.000 1.206 781 R HN 0.534 nan 8.270 nan 0.000 0.474 782 D N 1.175 121.446 120.400 -0.216 0.000 2.399 782 D HA 0.064 4.712 4.640 0.013 0.000 0.241 782 D C -0.504 175.364 176.300 -0.720 0.000 1.133 782 D CA 0.422 54.158 54.000 -0.439 0.000 0.890 782 D CB 0.714 41.210 40.800 -0.507 0.000 1.201 782 D HN 0.190 nan 8.370 nan 0.000 0.432 783 Q N 1.291 120.474 119.800 -1.028 0.000 2.271 783 Q HA 0.315 4.663 4.340 0.013 0.000 0.268 783 Q C -1.289 173.998 176.000 -1.189 0.000 1.021 783 Q CA -0.579 54.709 55.803 -0.860 0.000 0.802 783 Q CB 0.795 29.250 28.738 -0.471 0.000 1.282 783 Q HN 0.507 nan 8.270 nan 0.000 0.431 784 F N 0.684 120.218 119.950 -0.693 0.000 2.729 784 F HA 0.200 4.735 4.527 0.013 0.000 0.315 784 F C 0.586 175.928 175.800 -0.764 0.000 1.102 784 F CA -0.097 57.386 58.000 -0.863 0.000 1.204 784 F CB 1.392 39.520 39.000 -1.453 0.000 1.052 784 F HN 0.420 nan 8.300 nan 0.000 0.551 785 T N -0.875 113.371 114.554 -0.514 0.000 2.888 785 T HA 0.825 5.183 4.350 0.013 0.000 0.288 785 T C -0.574 173.889 174.700 -0.395 0.000 1.063 785 T CA -0.976 60.763 62.100 -0.602 0.000 1.010 785 T CB 2.898 71.376 68.868 -0.651 0.000 1.214 785 T HN 0.255 nan 8.240 nan 0.000 0.533 786 R N -0.275 120.046 120.500 -0.299 0.000 2.707 786 R HA 0.752 5.100 4.340 0.013 0.000 0.272 786 R C -0.924 175.428 176.300 0.087 0.000 1.011 786 R CA -1.213 54.833 56.100 -0.091 0.000 0.893 786 R CB 1.444 31.699 30.300 -0.074 0.000 1.233 786 R HN 0.853 nan 8.270 nan 0.000 0.464 787 A N 3.748 126.607 122.820 0.063 0.000 2.505 787 A HA 0.248 4.576 4.320 0.013 0.000 0.271 787 A C -1.870 175.790 177.584 0.126 0.000 1.112 787 A CA -1.197 50.880 52.037 0.067 0.000 0.781 787 A CB -0.519 18.469 19.000 -0.020 0.000 1.059 787 A HN 0.581 nan 8.150 nan 0.000 0.508 788 P HA -0.012 nan 4.420 nan 0.000 0.260 788 P C -0.314 177.121 177.300 0.225 0.000 1.172 788 P CA 0.691 63.968 63.100 0.295 0.000 0.760 788 P CB 0.299 32.193 31.700 0.322 0.000 0.773 789 L N 2.936 124.263 121.223 0.173 0.000 2.456 789 L HA 0.171 4.519 4.340 0.013 0.000 0.257 789 L C 1.936 178.868 176.870 0.103 0.000 1.162 789 L CA -0.517 54.370 54.840 0.078 0.000 0.808 789 L CB -0.005 42.029 42.059 -0.042 0.000 1.136 789 L HN 0.297 nan 8.230 nan 0.000 0.466 790 D N 0.452 120.884 120.400 0.053 0.000 2.149 790 D HA -0.165 4.483 4.640 0.013 0.000 0.198 790 D C 1.532 177.841 176.300 0.016 0.000 0.990 790 D CA 1.378 55.373 54.000 -0.009 0.000 0.839 790 D CB 0.048 40.822 40.800 -0.045 0.000 0.948 790 D HN 0.499 nan 8.370 nan 0.000 0.460 791 N N 1.092 119.799 118.700 0.011 0.000 2.244 791 N HA -0.111 4.637 4.740 0.013 0.000 0.183 791 N C 1.238 176.779 175.510 0.052 0.000 1.016 791 N CA 0.735 53.796 53.050 0.018 0.000 0.866 791 N CB -0.180 38.302 38.487 -0.008 0.000 0.980 791 N HN 0.261 nan 8.380 nan 0.000 0.430 792 D N 0.675 121.122 120.400 0.078 0.000 2.149 792 D HA -0.002 4.646 4.640 0.013 0.000 0.201 792 D C 2.034 178.377 176.300 0.073 0.000 0.972 792 D CA 0.462 54.529 54.000 0.111 0.000 0.835 792 D CB -0.063 40.876 40.800 0.233 0.000 0.966 792 D HN 0.311 nan 8.370 nan 0.000 0.476 793 I N 0.720 121.327 120.570 0.061 0.000 2.394 793 I HA -0.074 4.104 4.170 0.013 0.000 0.251 793 I C 1.277 177.381 176.117 -0.022 0.000 1.136 793 I CA 0.612 61.922 61.300 0.016 0.000 1.425 793 I CB -0.537 37.452 38.000 -0.019 0.000 1.079 793 I HN 0.007 nan 8.210 nan 0.000 0.425 794 G N 2.629 111.424 108.800 -0.009 0.000 2.395 794 G HA2 -0.179 3.789 3.960 0.013 0.000 0.292 794 G HA3 -0.179 3.789 3.960 0.013 0.000 0.292 794 G C 0.006 174.891 174.900 -0.026 0.000 0.953 794 G CA 0.583 45.675 45.100 -0.013 0.000 1.207 794 G HN 0.428 nan 8.290 nan 0.000 0.503 795 V N -2.339 117.538 119.914 -0.061 0.000 2.760 795 V HA 0.882 5.010 4.120 0.013 0.000 0.309 795 V C 0.594 176.453 176.094 -0.391 0.000 1.077 795 V CA 0.089 62.287 62.300 -0.170 0.000 0.910 795 V CB 1.689 33.408 31.823 -0.174 0.000 1.008 795 V HN 0.963 nan 8.190 nan 0.000 0.424 796 S N 1.282 116.582 115.700 -0.667 0.000 2.539 796 S HA 0.392 4.870 4.470 0.013 0.000 0.221 796 S C 0.211 174.137 174.600 -1.123 0.000 0.987 796 S CA -0.146 57.090 58.200 -1.607 0.000 0.929 796 S CB -0.140 62.139 63.200 -1.535 0.000 0.832 796 S HN 0.860 nan 8.310 nan 0.000 0.492 797 E N 0.580 120.412 120.200 -0.613 0.000 2.265 797 E HA 0.551 4.909 4.350 0.013 0.000 0.262 797 E C 0.160 176.598 176.600 -0.270 0.000 0.889 797 E CA -0.358 55.798 56.400 -0.407 0.000 0.789 797 E CB 1.821 31.303 29.700 -0.363 0.000 1.221 797 E HN 0.226 nan 8.360 nan 0.000 0.414 798 A N 2.266 124.967 122.820 -0.199 0.000 2.139 798 A HA -0.155 4.173 4.320 0.013 0.000 0.221 798 A C 1.675 179.199 177.584 -0.100 0.000 1.159 798 A CA 1.892 53.857 52.037 -0.120 0.000 0.662 798 A CB -0.592 18.374 19.000 -0.057 0.000 0.796 798 A HN 0.550 nan 8.150 nan 0.000 0.463 799 T N -2.524 111.957 114.554 -0.120 0.000 3.260 799 T HA 0.506 4.864 4.350 0.013 0.000 0.254 799 T C 0.111 174.748 174.700 -0.104 0.000 0.951 799 T CA -0.563 61.480 62.100 -0.096 0.000 0.918 799 T CB -0.389 68.424 68.868 -0.092 0.000 1.098 799 T HN 0.390 nan 8.240 nan 0.000 0.563 800 R N 0.986 121.417 120.500 -0.114 0.000 2.531 800 R HA 0.385 4.733 4.340 0.013 0.000 0.293 800 R C -1.111 175.131 176.300 -0.097 0.000 1.124 800 R CA -0.788 55.245 56.100 -0.111 0.000 0.945 800 R CB 1.333 31.547 30.300 -0.143 0.000 1.195 800 R HN 0.240 nan 8.270 nan 0.000 0.433 801 I N 2.830 123.355 120.570 -0.075 0.000 2.256 801 I HA 0.051 4.229 4.170 0.013 0.000 0.294 801 I C 0.156 176.232 176.117 -0.069 0.000 1.127 801 I CA -0.484 60.777 61.300 -0.064 0.000 1.247 801 I CB 0.209 38.182 38.000 -0.045 0.000 1.460 801 I HN 0.524 nan 8.210 nan 0.000 0.511 802 D N 9.679 130.031 120.400 -0.080 0.000 2.338 802 D HA 0.163 4.811 4.640 0.013 0.000 0.255 802 D C -1.239 175.004 176.300 -0.095 0.000 1.237 802 D CA -1.715 52.233 54.000 -0.087 0.000 0.883 802 D CB 1.297 42.042 40.800 -0.092 0.000 1.087 802 D HN 0.258 nan 8.370 nan 0.000 0.485 803 P HA -0.109 nan 4.420 nan 0.000 0.230 803 P C 0.671 177.880 177.300 -0.152 0.000 1.158 803 P CA 0.524 63.562 63.100 -0.103 0.000 0.769 803 P CB 0.384 32.033 31.700 -0.084 0.000 0.807 804 N N 0.393 118.992 118.700 -0.167 0.000 2.416 804 N HA 0.037 4.784 4.740 0.013 0.000 0.177 804 N C 0.600 175.914 175.510 -0.327 0.000 1.036 804 N CA 0.130 53.039 53.050 -0.236 0.000 0.901 804 N CB -0.473 37.900 38.487 -0.190 0.000 0.976 804 N HN -0.040 nan 8.380 nan 0.000 0.444 805 A N -0.357 122.315 122.820 -0.246 0.000 2.520 805 A HA 0.009 4.337 4.320 0.013 0.000 0.235 805 A C 0.730 178.103 177.584 -0.353 0.000 1.065 805 A CA -0.171 51.718 52.037 -0.248 0.000 0.764 805 A CB -0.232 18.690 19.000 -0.129 0.000 1.002 805 A HN 0.552 nan 8.150 nan 0.000 0.502 806 W N 1.568 122.609 121.300 -0.431 0.000 2.318 806 W HA -0.178 4.490 4.660 0.013 0.000 0.313 806 W C 2.250 178.181 176.519 -0.980 0.000 1.221 806 W CA 1.717 58.543 57.345 -0.866 0.000 1.266 806 W CB -0.389 28.429 29.460 -1.070 0.000 1.150 806 W HN 0.574 nan 8.180 nan 0.000 0.496 807 V N 0.864 120.642 119.914 -0.228 0.000 2.392 807 V HA -0.267 3.861 4.120 0.013 0.000 0.249 807 V C 2.150 178.329 176.094 0.142 0.000 1.059 807 V CA 2.154 64.550 62.300 0.160 0.000 1.051 807 V CB -0.352 31.599 31.823 0.214 0.000 0.658 807 V HN 0.073 nan 8.190 nan 0.000 0.455 808 E N 0.003 120.192 120.200 -0.018 0.000 2.106 808 E HA -0.171 4.187 4.350 0.013 0.000 0.192 808 E C 2.344 178.915 176.600 -0.048 0.000 0.984 808 E CA 1.136 57.523 56.400 -0.021 0.000 0.806 808 E CB -0.317 29.339 29.700 -0.073 0.000 0.750 808 E HN 0.629 nan 8.360 nan 0.000 0.458 809 R N -0.225 120.175 120.500 -0.166 0.000 2.066 809 R HA -0.106 4.242 4.340 0.013 0.000 0.232 809 R C 2.331 178.582 176.300 -0.083 0.000 1.131 809 R CA 1.277 57.259 56.100 -0.198 0.000 0.955 809 R CB -0.219 29.856 30.300 -0.375 0.000 0.851 809 R HN 0.242 nan 8.270 nan 0.000 0.432 810 W N 1.629 122.898 121.300 -0.053 0.000 2.335 810 W HA -0.118 4.550 4.660 0.014 0.000 0.311 810 W C 1.964 178.440 176.519 -0.070 0.000 1.213 810 W CA 0.822 58.043 57.345 -0.206 0.000 1.274 810 W CB -0.700 28.755 29.460 -0.009 0.000 1.148 810 W HN 0.128 nan 8.180 nan 0.000 0.498 811 K N 0.124 120.755 120.400 0.386 0.000 2.002 811 K HA -0.104 4.224 4.320 0.013 0.000 0.209 811 K C 2.333 178.990 176.600 0.095 0.000 1.048 811 K CA 1.884 58.357 56.287 0.310 0.000 0.930 811 K CB -0.749 31.885 32.500 0.223 0.000 0.714 811 K HN -0.022 nan 8.250 nan 0.000 0.438 812 A N 1.384 124.226 122.820 0.036 0.000 1.940 812 A HA -0.152 4.176 4.320 0.013 0.000 0.219 812 A C 2.274 179.810 177.584 -0.080 0.000 1.176 812 A CA 1.982 54.012 52.037 -0.012 0.000 0.631 812 A CB -0.704 18.283 19.000 -0.022 0.000 0.814 812 A HN 0.372 nan 8.150 nan 0.000 0.446 813 A N -2.040 120.709 122.820 -0.117 0.000 2.206 813 A HA 0.385 4.713 4.320 0.013 0.000 0.211 813 A C 1.872 179.296 177.584 -0.267 0.000 1.158 813 A CA 1.299 53.252 52.037 -0.140 0.000 0.761 813 A CB -0.903 17.996 19.000 -0.168 0.000 0.801 813 A HN 1.954 nan 8.150 nan 0.000 0.473 814 G N -1.656 106.918 108.800 -0.375 0.000 2.136 814 G HA2 -0.303 3.665 3.960 0.013 0.000 0.242 814 G HA3 -0.303 3.665 3.960 0.013 0.000 0.242 814 G C 0.566 175.493 174.900 0.044 0.000 0.989 814 G CA 0.669 45.439 45.100 -0.550 0.000 0.682 814 G HN 0.751 nan 8.290 nan 0.000 0.522 815 H N -1.548 117.505 119.070 -0.028 0.000 2.387 815 H HA -0.101 4.463 4.556 0.013 0.000 0.299 815 H C 2.199 177.493 175.328 -0.058 0.000 1.099 815 H CA 1.596 57.636 56.048 -0.013 0.000 1.315 815 H CB 0.074 29.753 29.762 -0.138 0.000 1.380 815 H HN 0.577 nan 8.280 nan 0.000 0.513 816 Y N 0.929 121.366 120.300 0.229 0.000 2.516 816 Y HA -0.115 4.443 4.550 0.013 0.000 0.291 816 Y C 2.037 178.037 175.900 0.166 0.000 1.131 816 Y CA 0.896 59.090 58.100 0.157 0.000 1.281 816 Y CB 0.219 38.756 38.460 0.128 0.000 1.013 816 Y HN 0.403 nan 8.280 nan 0.000 0.554 817 Q N -0.846 119.149 119.800 0.324 0.000 2.149 817 Q HA 0.459 4.807 4.340 0.013 0.000 0.221 817 Q C 0.406 176.610 176.000 0.341 0.000 0.807 817 Q CA -0.085 55.900 55.803 0.304 0.000 1.000 817 Q CB 0.383 29.291 28.738 0.282 0.000 1.157 817 Q HN 0.119 nan 8.270 nan 0.000 0.487 818 A N 1.747 124.794 122.820 0.379 0.000 2.520 818 A HA 0.115 4.443 4.320 0.013 0.000 0.245 818 A C -0.267 177.618 177.584 0.502 0.000 1.072 818 A CA 0.110 52.413 52.037 0.443 0.000 0.761 818 A CB 0.181 19.468 19.000 0.477 0.000 1.004 818 A HN 0.367 nan 8.150 nan 0.000 0.499 819 E N 1.003 121.402 120.200 0.332 0.000 2.204 819 E HA 0.497 4.854 4.350 0.013 0.000 0.276 819 E C -0.124 176.437 176.600 -0.065 0.000 0.974 819 E CA -0.599 55.925 56.400 0.207 0.000 0.815 819 E CB 1.741 31.522 29.700 0.134 0.000 1.119 819 E HN 0.767 nan 8.360 nan 0.000 0.393 820 A N 1.942 124.602 122.820 -0.267 0.000 2.362 820 A HA 0.518 4.846 4.320 0.013 0.000 0.276 820 A C -0.285 177.139 177.584 -0.266 0.000 1.153 820 A CA -0.281 51.302 52.037 -0.755 0.000 0.813 820 A CB 0.383 18.976 19.000 -0.679 0.000 1.081 820 A HN 0.578 nan 8.150 nan 0.000 0.507 821 A N 2.851 125.513 122.820 -0.263 0.000 2.271 821 A HA 0.575 4.903 4.320 0.013 0.000 0.317 821 A C -0.354 177.127 177.584 -0.172 0.000 1.245 821 A CA -0.558 51.398 52.037 -0.134 0.000 0.857 821 A CB 0.399 19.345 19.000 -0.091 0.000 1.175 821 A HN 1.215 nan 8.150 nan 0.000 0.512 822 L N 3.318 124.423 121.223 -0.198 0.000 2.410 822 L HA 0.281 4.629 4.340 0.013 0.000 0.273 822 L C 0.456 177.179 176.870 -0.244 0.000 1.144 822 L CA 0.419 55.035 54.840 -0.373 0.000 0.863 822 L CB 0.209 42.081 42.059 -0.311 0.000 1.140 822 L HN 0.775 nan 8.230 nan 0.000 0.463 823 L N 3.332 124.400 121.223 -0.258 0.000 2.500 823 L HA 0.328 4.676 4.340 0.013 0.000 0.219 823 L C 0.488 177.290 176.870 -0.113 0.000 1.057 823 L CA 0.055 54.815 54.840 -0.133 0.000 0.854 823 L CB 0.048 42.061 42.059 -0.077 0.000 1.078 823 L HN 0.712 nan 8.230 nan 0.000 0.480 824 Q N -0.399 119.308 119.800 -0.154 0.000 2.386 824 Q HA 0.339 4.687 4.340 0.013 0.000 0.274 824 Q C -2.070 173.875 176.000 -0.092 0.000 1.011 824 Q CA -0.507 55.242 55.803 -0.089 0.000 0.867 824 Q CB 3.124 31.837 28.738 -0.042 0.000 1.409 824 Q HN 0.069 nan 8.270 nan 0.000 0.395 825 C N 3.210 122.499 119.300 -0.019 0.000 2.982 825 C HA 0.699 5.167 4.460 0.013 0.000 0.372 825 C C -0.834 174.249 174.990 0.154 0.000 1.061 825 C CA 0.347 59.398 59.018 0.055 0.000 1.309 825 C CB 0.338 28.114 27.740 0.060 0.000 1.766 825 C HN 0.821 nan 8.230 nan 0.000 0.504 826 T N 2.236 116.812 114.554 0.038 0.000 2.916 826 T HA 0.916 5.274 4.350 0.013 0.000 0.292 826 T C -0.453 173.998 174.700 -0.414 0.000 1.064 826 T CA -0.331 61.726 62.100 -0.071 0.000 1.011 826 T CB 1.992 70.819 68.868 -0.069 0.000 1.152 826 T HN 1.647 nan 8.240 nan 0.000 0.510 827 A N 1.367 123.786 122.820 -0.669 0.000 2.374 827 A HA 0.767 5.095 4.320 0.013 0.000 0.305 827 A C -1.411 175.906 177.584 -0.445 0.000 1.053 827 A CA -0.756 50.792 52.037 -0.815 0.000 0.726 827 A CB 1.216 19.266 19.000 -1.582 0.000 1.229 827 A HN 0.867 nan 8.150 nan 0.000 0.431 828 D N 0.230 120.432 120.400 -0.330 0.000 2.527 828 D HA 0.661 5.309 4.640 0.013 0.000 0.233 828 D C -0.870 175.315 176.300 -0.193 0.000 1.063 828 D CA -0.031 53.842 54.000 -0.213 0.000 0.880 828 D CB 1.989 42.697 40.800 -0.153 0.000 1.457 828 D HN 0.306 nan 8.370 nan 0.000 0.475 829 T N 1.529 115.996 114.554 -0.145 0.000 2.809 829 T HA 0.432 4.790 4.350 0.013 0.000 0.296 829 T C 0.143 174.790 174.700 -0.088 0.000 1.015 829 T CA -0.531 61.495 62.100 -0.124 0.000 0.954 829 T CB 0.246 69.044 68.868 -0.117 0.000 0.950 829 T HN 0.095 nan 8.240 nan 0.000 0.450 830 L N 1.521 122.694 121.223 -0.082 0.000 2.567 830 L HA 0.508 4.856 4.340 0.013 0.000 0.238 830 L C 2.089 178.931 176.870 -0.047 0.000 1.168 830 L CA -0.795 54.009 54.840 -0.060 0.000 0.817 830 L CB 0.118 42.142 42.059 -0.058 0.000 1.409 830 L HN 0.662 nan 8.230 nan 0.000 0.502 831 A N 0.208 123.005 122.820 -0.037 0.000 2.015 831 A HA -0.128 4.200 4.320 0.013 0.000 0.219 831 A C 0.946 178.512 177.584 -0.030 0.000 1.163 831 A CA 1.823 53.842 52.037 -0.030 0.000 0.646 831 A CB -0.406 18.577 19.000 -0.028 0.000 0.806 831 A HN 0.879 nan 8.150 nan 0.000 0.448 832 D N -2.896 117.485 120.400 -0.033 0.000 2.712 832 D HA 0.516 5.164 4.640 0.013 0.000 0.300 832 D C -0.192 176.087 176.300 -0.034 0.000 1.521 832 D CA 0.674 54.656 54.000 -0.029 0.000 0.790 832 D CB -0.341 40.441 40.800 -0.031 0.000 1.155 832 D HN 0.495 nan 8.370 nan 0.000 0.456 833 A N -0.533 122.258 122.820 -0.049 0.000 2.567 833 A HA 0.546 4.874 4.320 0.013 0.000 0.291 833 A C -1.832 175.693 177.584 -0.098 0.000 1.048 833 A CA -0.675 51.319 52.037 -0.072 0.000 0.661 833 A CB 1.404 20.361 19.000 -0.072 0.000 1.288 833 A HN 0.025 nan 8.150 nan 0.000 0.424 834 V N 0.914 120.747 119.914 -0.134 0.000 2.483 834 V HA 0.632 4.760 4.120 0.013 0.000 0.295 834 V C -0.753 175.222 176.094 -0.197 0.000 1.035 834 V CA -0.450 61.746 62.300 -0.174 0.000 0.896 834 V CB 1.359 33.068 31.823 -0.189 0.000 0.986 834 V HN 0.874 nan 8.190 nan 0.000 0.447 835 L N 6.564 127.662 121.223 -0.210 0.000 2.325 835 L HA 0.629 4.977 4.340 0.013 0.000 0.281 835 L C -0.790 175.912 176.870 -0.279 0.000 1.004 835 L CA -0.004 54.719 54.840 -0.194 0.000 0.823 835 L CB 1.302 43.281 42.059 -0.133 0.000 1.236 835 L HN 0.402 nan 8.230 nan 0.000 0.415 836 I N 4.386 124.781 120.570 -0.292 0.000 2.339 836 I HA 0.373 4.551 4.170 0.013 0.000 0.290 836 I C -0.081 175.975 176.117 -0.100 0.000 0.994 836 I CA -0.211 60.851 61.300 -0.396 0.000 1.191 836 I CB 1.330 38.788 38.000 -0.904 0.000 1.343 836 I HN 0.555 nan 8.210 nan 0.000 0.458 837 T N 5.269 119.768 114.554 -0.091 0.000 2.779 837 T HA 0.616 4.974 4.350 0.013 0.000 0.280 837 T C 0.301 175.036 174.700 0.057 0.000 0.987 837 T CA -0.489 61.623 62.100 0.020 0.000 0.966 837 T CB 1.576 70.433 68.868 -0.017 0.000 0.933 837 T HN 0.761 nan 8.240 nan 0.000 0.442 838 T N -0.400 114.240 114.554 0.145 0.000 2.906 838 T HA 0.875 5.233 4.350 0.013 0.000 0.295 838 T C -1.141 173.633 174.700 0.122 0.000 1.075 838 T CA -1.111 61.064 62.100 0.126 0.000 1.005 838 T CB 2.049 71.074 68.868 0.261 0.000 1.136 838 T HN 0.750 nan 8.240 nan 0.000 0.498 839 A N 1.503 124.321 122.820 -0.003 0.000 2.465 839 A HA 0.723 5.051 4.320 0.013 0.000 0.292 839 A C -1.457 176.048 177.584 -0.133 0.000 1.041 839 A CA -0.770 51.295 52.037 0.047 0.000 0.718 839 A CB 0.771 19.787 19.000 0.026 0.000 1.266 839 A HN 0.988 nan 8.150 nan 0.000 0.403 840 H N 0.249 119.358 119.070 0.066 0.000 2.747 840 H HA 0.828 5.392 4.556 0.013 0.000 0.371 840 H C -0.035 175.308 175.328 0.025 0.000 1.161 840 H CA 0.239 56.246 56.048 -0.068 0.000 1.167 840 H CB 2.163 31.781 29.762 -0.240 0.000 1.732 840 H HN 1.008 nan 8.280 nan 0.000 0.544 841 A N 1.656 124.483 122.820 0.011 0.000 2.359 841 A HA 0.389 4.716 4.320 0.013 0.000 0.303 841 A C -1.469 176.112 177.584 -0.006 0.000 1.066 841 A CA -0.706 51.394 52.037 0.105 0.000 0.730 841 A CB 1.115 20.150 19.000 0.059 0.000 1.211 841 A HN 0.570 nan 8.150 nan 0.000 0.439 842 W N 2.407 123.806 121.300 0.165 0.000 2.314 842 W HA 0.415 5.084 4.660 0.014 0.000 0.310 842 W C -0.272 176.260 176.519 0.021 0.000 1.075 842 W CA -0.060 57.378 57.345 0.155 0.000 1.253 842 W CB 1.541 31.161 29.460 0.266 0.000 1.238 842 W HN 0.753 nan 8.180 nan 0.000 0.440 843 Q N 1.472 121.386 119.800 0.189 0.000 2.458 843 Q HA 0.393 4.741 4.340 0.013 0.000 0.282 843 Q C -0.819 175.299 176.000 0.197 0.000 1.106 843 Q CA -0.839 55.041 55.803 0.128 0.000 0.814 843 Q CB 3.542 32.320 28.738 0.067 0.000 1.425 843 Q HN 0.350 nan 8.270 nan 0.000 0.437 844 H N 1.525 120.630 119.070 0.058 0.000 3.181 844 H HA 0.091 4.655 4.556 0.013 0.000 0.331 844 H C -1.012 174.347 175.328 0.052 0.000 0.988 844 H CA -0.053 56.039 56.048 0.074 0.000 1.449 844 H CB 0.948 30.766 29.762 0.093 0.000 1.749 844 H HN 0.829 nan 8.280 nan 0.000 0.501 845 Q N 3.343 122.962 119.800 -0.303 0.000 2.451 845 Q HA -0.227 4.121 4.340 0.013 0.000 0.305 845 Q C 0.916 176.883 176.000 -0.054 0.000 1.345 845 Q CA 1.055 56.739 55.803 -0.197 0.000 0.854 845 Q CB -1.446 27.152 28.738 -0.234 0.000 1.162 845 Q HN 1.181 nan 8.270 nan 0.000 0.440 846 G N -0.369 108.416 108.800 -0.025 0.000 2.179 846 G HA2 -0.370 3.598 3.960 0.013 0.000 0.260 846 G HA3 -0.370 3.598 3.960 0.013 0.000 0.260 846 G C 0.020 174.931 174.900 0.018 0.000 0.977 846 G CA 0.625 45.725 45.100 -0.000 0.000 0.641 846 G HN 0.325 nan 8.290 nan 0.000 0.533 847 K N 1.629 122.051 120.400 0.037 0.000 2.240 847 K HA 0.621 4.949 4.320 0.013 0.000 0.271 847 K C 0.089 176.706 176.600 0.028 0.000 1.018 847 K CA -0.229 56.083 56.287 0.041 0.000 0.874 847 K CB 0.768 33.308 32.500 0.067 0.000 1.098 847 K HN -0.014 nan 8.250 nan 0.000 0.458 848 T N 6.552 121.110 114.554 0.006 0.000 2.727 848 T HA 0.188 4.546 4.350 0.013 0.000 0.295 848 T C 1.160 175.800 174.700 -0.099 0.000 0.915 848 T CA -0.276 61.819 62.100 -0.009 0.000 1.066 848 T CB 0.164 69.042 68.868 0.017 0.000 0.891 848 T HN 0.532 nan 8.240 nan 0.000 0.516 849 L N 2.591 123.667 121.223 -0.245 0.000 2.071 849 L HA 0.276 4.624 4.340 0.013 0.000 0.201 849 L C -0.031 176.334 176.870 -0.841 0.000 1.076 849 L CA 0.971 55.384 54.840 -0.711 0.000 0.755 849 L CB -0.033 41.276 42.059 -1.250 0.000 0.915 849 L HN 0.480 nan 8.230 nan 0.000 0.445 850 F N -1.122 118.776 119.950 -0.086 0.000 2.588 850 F HA 0.596 5.131 4.527 0.013 0.000 0.314 850 F C -0.391 175.492 175.800 0.137 0.000 1.069 850 F CA -1.014 56.881 58.000 -0.175 0.000 0.931 850 F CB 1.494 39.976 39.000 -0.863 0.000 1.260 850 F HN -0.290 nan 8.300 nan 0.000 0.465 851 I N 1.315 122.096 120.570 0.352 0.000 2.466 851 I HA 0.393 4.571 4.170 0.013 0.000 0.289 851 I C -0.803 175.571 176.117 0.429 0.000 1.026 851 I CA -0.524 60.999 61.300 0.371 0.000 1.078 851 I CB 2.192 40.330 38.000 0.229 0.000 1.249 851 I HN 0.562 nan 8.210 nan 0.000 0.429 852 S N 6.649 122.685 115.700 0.560 0.000 2.498 852 S HA 0.569 5.047 4.470 0.013 0.000 0.317 852 S C -0.713 174.126 174.600 0.399 0.000 1.090 852 S CA -0.677 57.844 58.200 0.535 0.000 1.089 852 S CB 0.713 64.384 63.200 0.786 0.000 0.997 852 S HN 0.540 nan 8.310 nan 0.000 0.470 853 R N 3.741 124.408 120.500 0.279 0.000 2.360 853 R HA 0.502 4.850 4.340 0.013 0.000 0.318 853 R C -0.680 175.710 176.300 0.151 0.000 0.950 853 R CA -0.681 55.540 56.100 0.202 0.000 0.837 853 R CB 1.700 32.091 30.300 0.151 0.000 1.165 853 R HN 0.548 nan 8.270 nan 0.000 0.458 854 K N 0.819 121.311 120.400 0.153 0.000 2.395 854 K HA 0.543 4.871 4.320 0.013 0.000 0.245 854 K C -0.627 176.004 176.600 0.052 0.000 1.017 854 K CA -0.946 55.370 56.287 0.048 0.000 0.852 854 K CB 2.447 34.960 32.500 0.022 0.000 1.311 854 K HN 0.578 nan 8.250 nan 0.000 0.452 855 T N -1.344 113.168 114.554 -0.069 0.000 3.071 855 T HA 0.461 4.819 4.350 0.013 0.000 0.311 855 T C -1.458 173.194 174.700 -0.080 0.000 1.042 855 T CA -0.803 61.302 62.100 0.008 0.000 1.028 855 T CB 0.285 69.152 68.868 -0.003 0.000 1.068 855 T HN 0.372 nan 8.240 nan 0.000 0.451 856 Y N 1.406 121.683 120.300 -0.037 0.000 2.328 856 Y HA 0.672 5.230 4.550 0.013 0.000 0.337 856 Y C 0.579 176.408 175.900 -0.118 0.000 0.966 856 Y CA -1.206 56.879 58.100 -0.024 0.000 1.136 856 Y CB 1.799 40.288 38.460 0.049 0.000 1.170 856 Y HN 0.683 nan 8.280 nan 0.000 0.470 857 R N 4.496 125.014 120.500 0.031 0.000 2.388 857 R HA 0.623 4.971 4.340 0.013 0.000 0.314 857 R C -1.662 174.576 176.300 -0.103 0.000 0.959 857 R CA -0.394 55.675 56.100 -0.052 0.000 0.851 857 R CB 0.546 30.825 30.300 -0.035 0.000 1.168 857 R HN 0.784 nan 8.270 nan 0.000 0.472 858 I N 4.946 125.396 120.570 -0.200 0.000 2.330 858 I HA 0.221 4.399 4.170 0.013 0.000 0.289 858 I C -0.215 175.783 176.117 -0.198 0.000 1.001 858 I CA -0.746 60.362 61.300 -0.319 0.000 1.193 858 I CB 1.496 39.098 38.000 -0.663 0.000 1.345 858 I HN 0.687 nan 8.210 nan 0.000 0.461 859 D N 3.942 124.271 120.400 -0.120 0.000 2.564 859 D HA 0.325 4.973 4.640 0.013 0.000 0.273 859 D C 1.378 177.669 176.300 -0.013 0.000 1.192 859 D CA -0.634 53.334 54.000 -0.054 0.000 1.080 859 D CB 0.631 41.418 40.800 -0.022 0.000 1.160 859 D HN 0.427 nan 8.370 nan 0.000 0.607 860 G N -1.086 107.722 108.800 0.013 0.000 2.448 860 G HA2 -0.248 3.720 3.960 0.013 0.000 0.219 860 G HA3 -0.248 3.720 3.960 0.013 0.000 0.219 860 G C 1.363 176.307 174.900 0.073 0.000 1.127 860 G CA 1.125 46.253 45.100 0.046 0.000 0.766 860 G HN 0.565 nan 8.290 nan 0.000 0.552 861 S N -0.329 115.410 115.700 0.065 0.000 2.555 861 S HA 0.298 4.776 4.470 0.013 0.000 0.230 861 S C 1.924 176.592 174.600 0.114 0.000 0.978 861 S CA 1.035 59.285 58.200 0.082 0.000 0.934 861 S CB -0.321 62.922 63.200 0.070 0.000 0.766 861 S HN 1.578 nan 8.310 nan 0.000 0.533 862 G N 0.231 109.110 108.800 0.131 0.000 2.143 862 G HA2 -0.242 3.726 3.960 0.013 0.000 0.249 862 G HA3 -0.242 3.726 3.960 0.013 0.000 0.249 862 G C -0.206 174.838 174.900 0.240 0.000 0.981 862 G CA 0.210 45.458 45.100 0.247 0.000 0.665 862 G HN 0.625 nan 8.290 nan 0.000 0.528 863 Q N -0.640 119.229 119.800 0.115 0.000 2.230 863 Q HA 0.660 5.008 4.340 0.013 0.000 0.248 863 Q C 0.192 176.205 176.000 0.022 0.000 0.915 863 Q CA -0.394 55.479 55.803 0.117 0.000 0.900 863 Q CB 1.536 30.336 28.738 0.103 0.000 1.229 863 Q HN 0.431 nan 8.270 nan 0.000 0.439 864 M N 1.871 121.521 119.600 0.085 0.000 2.078 864 M HA 0.500 4.988 4.480 0.013 0.000 0.320 864 M C -1.475 174.904 176.300 0.131 0.000 0.969 864 M CA -0.509 54.809 55.300 0.029 0.000 0.929 864 M CB 1.088 33.706 32.600 0.031 0.000 1.504 864 M HN 0.681 nan 8.290 nan 0.000 0.419 865 A N 6.168 129.033 122.820 0.074 0.000 2.260 865 A HA 0.610 4.938 4.320 0.013 0.000 0.312 865 A C -0.884 176.714 177.584 0.024 0.000 1.321 865 A CA -0.571 51.508 52.037 0.070 0.000 0.928 865 A CB -0.213 18.813 19.000 0.044 0.000 1.158 865 A HN 0.800 nan 8.150 nan 0.000 0.542 866 I N 2.512 123.083 120.570 0.001 0.000 2.312 866 I HA 0.297 4.475 4.170 0.013 0.000 0.290 866 I C 0.318 176.308 176.117 -0.211 0.000 1.008 866 I CA 0.480 61.663 61.300 -0.196 0.000 1.226 866 I CB 1.701 39.598 38.000 -0.172 0.000 1.371 866 I HN 0.478 nan 8.210 nan 0.000 0.468 867 T N 5.941 120.347 114.554 -0.245 0.000 2.770 867 T HA 0.631 4.989 4.350 0.013 0.000 0.283 867 T C -0.262 174.266 174.700 -0.287 0.000 0.988 867 T CA -0.502 61.471 62.100 -0.211 0.000 0.957 867 T CB 1.161 70.004 68.868 -0.043 0.000 0.930 867 T HN 0.199 nan 8.240 nan 0.000 0.443 868 V N 3.427 123.048 119.914 -0.488 0.000 2.540 868 V HA 0.521 4.649 4.120 0.013 0.000 0.302 868 V C -0.742 175.227 176.094 -0.208 0.000 1.035 868 V CA -0.955 61.081 62.300 -0.440 0.000 0.873 868 V CB 2.053 33.344 31.823 -0.887 0.000 0.992 868 V HN 0.868 nan 8.190 nan 0.000 0.428 869 D N 2.724 123.154 120.400 0.050 0.000 2.620 869 D HA 0.596 5.244 4.640 0.013 0.000 0.252 869 D C -0.871 175.569 176.300 0.233 0.000 1.207 869 D CA -0.187 53.932 54.000 0.198 0.000 0.884 869 D CB 2.271 43.198 40.800 0.212 0.000 1.262 869 D HN 0.319 nan 8.370 nan 0.000 0.552 870 V N 2.197 122.288 119.914 0.294 0.000 2.581 870 V HA 0.405 4.533 4.120 0.013 0.000 0.303 870 V C -0.044 176.211 176.094 0.268 0.000 1.041 870 V CA -0.715 61.773 62.300 0.314 0.000 0.907 870 V CB 2.001 34.050 31.823 0.375 0.000 0.994 870 V HN 0.460 nan 8.190 nan 0.000 0.442 871 E N 2.259 122.602 120.200 0.239 0.000 2.187 871 E HA 0.596 4.954 4.350 0.013 0.000 0.268 871 E C -1.574 175.150 176.600 0.205 0.000 0.896 871 E CA -0.511 56.006 56.400 0.194 0.000 0.766 871 E CB 2.416 32.210 29.700 0.157 0.000 1.142 871 E HN 0.433 nan 8.360 nan 0.000 0.408 872 V N 2.392 122.430 119.914 0.207 0.000 2.407 872 V HA 0.355 4.483 4.120 0.013 0.000 0.291 872 V C 0.136 176.326 176.094 0.160 0.000 1.018 872 V CA -0.960 61.479 62.300 0.233 0.000 0.842 872 V CB 1.386 33.380 31.823 0.284 0.000 0.996 872 V HN 0.827 nan 8.190 nan 0.000 0.426 873 A N 3.626 126.497 122.820 0.086 0.000 2.566 873 A HA 0.237 4.565 4.320 0.013 0.000 0.245 873 A C 1.644 179.298 177.584 0.117 0.000 1.056 873 A CA 0.657 52.733 52.037 0.065 0.000 0.757 873 A CB 0.205 19.207 19.000 0.002 0.000 0.979 873 A HN 1.370 nan 8.150 nan 0.000 0.508 874 S N 1.362 117.129 115.700 0.111 0.000 2.442 874 S HA -0.153 4.325 4.470 0.013 0.000 0.236 874 S C 0.945 175.623 174.600 0.130 0.000 1.007 874 S CA 1.294 59.578 58.200 0.140 0.000 0.965 874 S CB -0.241 63.022 63.200 0.104 0.000 0.773 874 S HN 0.829 nan 8.310 nan 0.000 0.504 875 D N 0.172 120.624 120.400 0.086 0.000 2.349 875 D HA 0.094 4.742 4.640 0.013 0.000 0.214 875 D C 0.543 176.875 176.300 0.054 0.000 1.063 875 D CA 0.071 54.105 54.000 0.057 0.000 0.847 875 D CB -0.328 40.493 40.800 0.035 0.000 0.933 875 D HN 0.322 nan 8.370 nan 0.000 0.513 876 T N 1.976 116.587 114.554 0.096 0.000 2.907 876 T HA 0.344 4.702 4.350 0.013 0.000 0.284 876 T C -2.589 172.229 174.700 0.197 0.000 1.004 876 T CA -1.863 60.319 62.100 0.137 0.000 1.063 876 T CB 1.449 70.412 68.868 0.159 0.000 0.992 876 T HN -0.113 nan 8.240 nan 0.000 0.483 877 P HA 0.046 nan 4.420 nan 0.000 0.265 877 P C -0.615 177.030 177.300 0.575 0.000 1.193 877 P CA 0.035 63.268 63.100 0.221 0.000 0.765 877 P CB -0.032 31.756 31.700 0.147 0.000 0.823 878 H N 4.184 123.615 119.070 0.602 0.000 3.192 878 H HA 0.020 4.584 4.556 0.013 0.000 0.295 878 H C -1.419 174.233 175.328 0.539 0.000 0.943 878 H CA -1.200 55.139 56.048 0.487 0.000 1.416 878 H CB -0.483 29.518 29.762 0.397 0.000 1.434 878 H HN 0.386 nan 8.280 nan 0.000 0.565 879 P HA -0.053 nan 4.420 nan 0.000 0.269 879 P C 0.198 177.392 177.300 -0.177 0.000 1.209 879 P CA -0.117 63.018 63.100 0.058 0.000 0.776 879 P CB 1.044 32.618 31.700 -0.209 0.000 0.876 880 A N 3.745 126.217 122.820 -0.579 0.000 2.015 880 A HA -0.094 4.234 4.320 0.013 0.000 0.219 880 A C 1.078 178.263 177.584 -0.666 0.000 1.163 880 A CA 1.265 52.922 52.037 -0.634 0.000 0.646 880 A CB -0.495 17.886 19.000 -1.031 0.000 0.806 880 A HN 0.765 nan 8.150 nan 0.000 0.448 881 R N -2.828 117.315 120.500 -0.596 0.000 2.712 881 R HA 0.716 5.064 4.340 0.013 0.000 0.272 881 R C -1.637 174.403 176.300 -0.432 0.000 1.032 881 R CA -0.760 55.010 56.100 -0.549 0.000 0.874 881 R CB 0.759 30.707 30.300 -0.587 0.000 1.256 881 R HN -0.015 nan 8.270 nan 0.000 0.468 882 I N 1.362 121.716 120.570 -0.359 0.000 2.542 882 I HA 0.636 4.813 4.170 0.013 0.000 0.278 882 I C -0.402 175.472 176.117 -0.405 0.000 1.069 882 I CA -0.354 60.752 61.300 -0.324 0.000 1.100 882 I CB 1.712 39.597 38.000 -0.191 0.000 1.204 882 I HN 0.976 nan 8.210 nan 0.000 0.470 883 G N 5.685 114.184 108.800 -0.501 0.000 2.753 883 G HA2 0.770 4.738 3.960 0.013 0.000 0.303 883 G HA3 0.770 4.738 3.960 0.013 0.000 0.303 883 G C -1.586 173.124 174.900 -0.316 0.000 1.242 883 G CA -0.542 44.302 45.100 -0.428 0.000 0.810 883 G HN 0.243 nan 8.290 nan 0.000 0.515 884 L N 0.815 121.905 121.223 -0.220 0.000 2.327 884 L HA 0.653 5.001 4.340 0.013 0.000 0.258 884 L C -0.828 175.934 176.870 -0.180 0.000 1.024 884 L CA -1.139 53.602 54.840 -0.165 0.000 0.825 884 L CB 2.550 44.600 42.059 -0.015 0.000 1.386 884 L HN 0.820 nan 8.230 nan 0.000 0.417 885 N N 0.423 119.045 118.700 -0.130 0.000 2.708 885 N HA 0.712 5.460 4.740 0.013 0.000 0.257 885 N C -1.306 174.202 175.510 -0.003 0.000 1.373 885 N CA -0.508 52.502 53.050 -0.065 0.000 0.843 885 N CB 2.473 40.947 38.487 -0.021 0.000 1.503 885 N HN 0.877 nan 8.380 nan 0.000 0.504 886 C N -1.643 117.668 119.300 0.019 0.000 3.253 886 C HA 0.543 5.011 4.460 0.013 0.000 0.342 886 C C -1.268 173.510 174.990 -0.354 0.000 1.306 886 C CA -0.876 58.087 59.018 -0.092 0.000 1.207 886 C CB 0.968 28.692 27.740 -0.028 0.000 1.479 886 C HN 0.883 nan 8.230 nan 0.000 0.469 887 Q N 1.374 120.761 119.800 -0.688 0.000 2.372 887 Q HA 0.669 5.017 4.340 0.013 0.000 0.259 887 Q C -1.076 174.637 176.000 -0.479 0.000 0.993 887 Q CA -0.452 54.733 55.803 -1.029 0.000 0.854 887 Q CB 0.825 28.599 28.738 -1.607 0.000 1.231 887 Q HN 0.757 nan 8.270 nan 0.000 0.462 888 L N 2.822 123.870 121.223 -0.291 0.000 2.397 888 L HA 0.282 4.630 4.340 0.013 0.000 0.271 888 L C 1.147 177.970 176.870 -0.080 0.000 1.148 888 L CA -0.211 54.586 54.840 -0.072 0.000 0.825 888 L CB 0.887 43.019 42.059 0.121 0.000 1.117 888 L HN 0.819 nan 8.230 nan 0.000 0.456 889 A N 1.956 124.753 122.820 -0.039 0.000 2.066 889 A HA -0.080 4.248 4.320 0.013 0.000 0.218 889 A C 1.083 178.673 177.584 0.010 0.000 1.157 889 A CA 0.441 52.451 52.037 -0.045 0.000 0.670 889 A CB -0.231 18.736 19.000 -0.055 0.000 0.804 889 A HN 0.747 nan 8.150 nan 0.000 0.453 890 Q N 0.101 119.951 119.800 0.083 0.000 2.352 890 Q HA 0.397 4.745 4.340 0.013 0.000 0.260 890 Q C -1.083 174.989 176.000 0.120 0.000 0.976 890 Q CA 0.543 56.395 55.803 0.082 0.000 0.881 890 Q CB 0.812 29.623 28.738 0.121 0.000 1.235 890 Q HN 0.114 nan 8.270 nan 0.000 0.419 891 V N 3.799 123.730 119.914 0.029 0.000 2.439 891 V HA 0.718 4.846 4.120 0.013 0.000 0.277 891 V C -0.585 175.489 176.094 -0.033 0.000 1.008 891 V CA -0.309 62.035 62.300 0.074 0.000 0.846 891 V CB 0.836 32.682 31.823 0.038 0.000 1.031 891 V HN 0.894 nan 8.190 nan 0.000 0.441 892 A N 2.982 125.716 122.820 -0.143 0.000 2.299 892 A HA 0.756 5.084 4.320 0.013 0.000 0.332 892 A C 0.777 178.373 177.584 0.021 0.000 1.131 892 A CA -0.462 51.445 52.037 -0.218 0.000 0.844 892 A CB 1.046 19.685 19.000 -0.601 0.000 1.251 892 A HN 0.767 nan 8.150 nan 0.000 0.486 893 E N 0.088 120.294 120.200 0.010 0.000 2.158 893 E HA -0.022 4.336 4.350 0.013 0.000 0.191 893 E C 0.181 176.850 176.600 0.115 0.000 0.982 893 E CA 0.585 57.022 56.400 0.062 0.000 0.823 893 E CB 0.100 29.819 29.700 0.030 0.000 0.766 893 E HN 0.422 nan 8.360 nan 0.000 0.468 894 R N 0.555 121.126 120.500 0.118 0.000 2.828 894 R HA 0.557 4.905 4.340 0.013 0.000 0.264 894 R C -0.690 175.789 176.300 0.299 0.000 1.022 894 R CA -0.871 55.333 56.100 0.174 0.000 1.021 894 R CB 1.829 32.198 30.300 0.115 0.000 1.163 894 R HN -0.155 nan 8.270 nan 0.000 0.494 895 V N 1.862 121.967 119.914 0.320 0.000 2.569 895 V HA 0.310 4.438 4.120 0.013 0.000 0.301 895 V C -0.501 175.861 176.094 0.447 0.000 1.044 895 V CA -0.941 61.600 62.300 0.401 0.000 0.874 895 V CB 1.953 33.976 31.823 0.333 0.000 1.002 895 V HN 0.652 nan 8.190 nan 0.000 0.424 896 N N 4.539 123.473 118.700 0.389 0.000 2.372 896 N HA 0.550 5.298 4.740 0.013 0.000 0.285 896 N C -1.352 174.392 175.510 0.391 0.000 1.008 896 N CA -0.381 52.855 53.050 0.310 0.000 0.880 896 N CB 2.580 41.150 38.487 0.139 0.000 1.239 896 N HN 0.796 nan 8.380 nan 0.000 0.484 897 W N 3.444 124.778 121.300 0.058 0.000 3.118 897 W HA 0.575 5.243 4.660 0.013 0.000 0.328 897 W C -2.088 174.393 176.519 -0.065 0.000 1.239 897 W CA -1.110 56.239 57.345 0.006 0.000 1.176 897 W CB 0.642 30.127 29.460 0.041 0.000 1.433 897 W HN 0.214 nan 8.180 nan 0.000 0.562 898 L N 4.437 125.624 121.223 -0.060 0.000 2.301 898 L HA 0.909 5.257 4.340 0.013 0.000 0.278 898 L C -0.017 176.695 176.870 -0.262 0.000 1.022 898 L CA 0.319 54.939 54.840 -0.367 0.000 0.854 898 L CB 0.582 42.491 42.059 -0.250 0.000 1.226 898 L HN 1.001 nan 8.230 nan 0.000 0.429 899 G N 3.722 112.279 108.800 -0.405 0.000 2.364 899 G HA2 0.217 4.185 3.960 0.013 0.000 0.286 899 G HA3 0.217 4.185 3.960 0.013 0.000 0.286 899 G C -1.576 173.406 174.900 0.137 0.000 1.241 899 G CA -1.012 44.080 45.100 -0.014 0.000 0.887 899 G HN 0.390 nan 8.290 nan 0.000 0.484 900 L N 1.338 122.755 121.223 0.323 0.000 2.360 900 L HA 0.599 4.947 4.340 0.013 0.000 0.276 900 L C 1.022 178.037 176.870 0.242 0.000 1.121 900 L CA 0.624 55.611 54.840 0.246 0.000 0.845 900 L CB 0.491 42.632 42.059 0.137 0.000 1.143 900 L HN 1.063 nan 8.230 nan 0.000 0.452 901 G N 3.185 111.938 108.800 -0.078 0.000 2.494 901 G HA2 0.307 4.275 3.960 0.013 0.000 0.308 901 G HA3 0.307 4.275 3.960 0.013 0.000 0.308 901 G C -2.689 171.435 174.900 -1.294 0.000 1.263 901 G CA -0.236 44.461 45.100 -0.672 0.000 0.840 901 G HN 0.322 nan 8.290 nan 0.000 0.479 902 P HA 0.053 nan 4.420 nan 0.000 0.226 902 P C 0.467 177.589 177.300 -0.297 0.000 1.161 902 P CA 0.643 63.090 63.100 -1.089 0.000 0.804 902 P CB 0.515 31.657 31.700 -0.930 0.000 0.829 903 Q N 0.541 120.150 119.800 -0.319 0.000 2.396 903 Q HA 0.122 4.470 4.340 0.013 0.000 0.221 903 Q C 0.455 176.349 176.000 -0.177 0.000 1.025 903 Q CA -0.482 55.208 55.803 -0.188 0.000 0.946 903 Q CB 0.525 29.169 28.738 -0.158 0.000 1.224 903 Q HN 0.137 nan 8.270 nan 0.000 0.539 904 E N 1.381 121.484 120.200 -0.162 0.000 2.529 904 E HA -0.101 4.257 4.350 0.013 0.000 0.259 904 E C -1.162 175.376 176.600 -0.104 0.000 0.966 904 E CA 0.229 56.529 56.400 -0.167 0.000 0.937 904 E CB 0.195 29.853 29.700 -0.071 0.000 0.923 904 E HN 0.571 nan 8.360 nan 0.000 0.468 905 N N 2.917 121.493 118.700 -0.205 0.000 2.324 905 N HA 0.285 5.033 4.740 0.013 0.000 0.285 905 N C -1.872 173.459 175.510 -0.298 0.000 1.076 905 N CA -0.666 52.315 53.050 -0.114 0.000 0.864 905 N CB 0.700 39.127 38.487 -0.101 0.000 1.632 905 N HN 0.190 nan 8.380 nan 0.000 0.478 906 Y N 0.321 120.536 120.300 -0.142 0.000 2.587 906 Y HA 0.536 5.093 4.550 0.013 0.000 0.337 906 Y C -1.463 174.369 175.900 -0.114 0.000 1.065 906 Y CA -2.050 55.957 58.100 -0.155 0.000 1.126 906 Y CB 1.527 39.893 38.460 -0.156 0.000 1.279 906 Y HN 0.432 nan 8.280 nan 0.000 0.489 907 P HA -0.226 nan 4.420 nan 0.000 0.218 907 P C 0.350 177.547 177.300 -0.172 0.000 1.154 907 P CA 2.271 65.411 63.100 0.068 0.000 0.872 907 P CB 0.192 32.023 31.700 0.220 0.000 0.790 908 D N -2.077 118.000 120.400 -0.539 0.000 2.342 908 D HA 0.002 4.650 4.640 0.013 0.000 0.221 908 D C 0.843 176.968 176.300 -0.291 0.000 1.101 908 D CA -0.068 53.355 54.000 -0.962 0.000 0.837 908 D CB -0.257 39.686 40.800 -1.428 0.000 0.938 908 D HN 0.165 nan 8.370 nan 0.000 0.508 909 R N 1.013 121.458 120.500 -0.091 0.000 2.640 909 R HA 0.178 4.526 4.340 0.013 0.000 0.240 909 R C -0.670 175.664 176.300 0.056 0.000 1.519 909 R CA -0.153 55.961 56.100 0.024 0.000 1.570 909 R CB 0.033 30.352 30.300 0.031 0.000 1.446 909 R HN 0.108 nan 8.270 nan 0.000 0.738 910 L N -1.801 119.461 121.223 0.065 0.000 3.386 910 L HA 0.341 4.689 4.340 0.013 0.000 0.307 910 L C 1.327 178.253 176.870 0.094 0.000 1.235 910 L CA 0.137 55.014 54.840 0.062 0.000 1.056 910 L CB 0.154 42.241 42.059 0.046 0.000 1.453 910 L HN 0.088 nan 8.230 nan 0.000 0.615 911 T N -2.561 112.074 114.554 0.134 0.000 2.833 911 T HA -0.011 4.347 4.350 0.013 0.000 0.269 911 T C 1.760 176.496 174.700 0.060 0.000 1.054 911 T CA 1.363 63.564 62.100 0.168 0.000 1.135 911 T CB -0.325 68.698 68.868 0.258 0.000 0.869 911 T HN 0.396 nan 8.240 nan 0.000 0.466 912 A N 1.530 124.384 122.820 0.057 0.000 2.067 912 A HA 0.668 4.996 4.320 0.013 0.000 0.217 912 A C 1.616 179.275 177.584 0.125 0.000 1.156 912 A CA 0.465 52.480 52.037 -0.036 0.000 0.683 912 A CB -0.854 18.278 19.000 0.219 0.000 0.808 912 A HN 0.826 nan 8.150 nan 0.000 0.455 913 A N -1.021 121.827 122.820 0.047 0.000 2.407 913 A HA 0.457 4.785 4.320 0.013 0.000 0.248 913 A C -0.008 177.606 177.584 0.050 0.000 1.082 913 A CA -0.084 51.947 52.037 -0.010 0.000 0.785 913 A CB -0.095 18.888 19.000 -0.028 0.000 1.020 913 A HN 0.472 nan 8.150 nan 0.000 0.489 914 C N 0.706 120.035 119.300 0.049 0.000 2.493 914 C HA 0.554 5.022 4.460 0.013 0.000 0.326 914 C C -0.118 174.998 174.990 0.210 0.000 1.200 914 C CA -0.503 58.606 59.018 0.151 0.000 1.739 914 C CB 0.704 28.551 27.740 0.178 0.000 2.300 914 C HN 0.787 nan 8.230 nan 0.000 0.500 915 F N 3.756 123.574 119.950 -0.221 0.000 2.438 915 F HA 0.507 5.042 4.527 0.013 0.000 0.356 915 F C 0.376 175.858 175.800 -0.531 0.000 1.099 915 F CA 1.186 58.889 58.000 -0.494 0.000 1.185 915 F CB 0.053 38.228 39.000 -1.375 0.000 1.115 915 F HN 0.651 nan 8.300 nan 0.000 0.526 916 D N 3.027 122.755 120.400 -1.119 0.000 3.024 916 D HA 0.130 4.778 4.640 0.013 0.000 0.354 916 D C -1.739 173.676 176.300 -1.475 0.000 1.431 916 D CA -0.712 52.550 54.000 -1.231 0.000 0.842 916 D CB 1.225 41.283 40.800 -1.238 0.000 1.437 916 D HN 0.451 nan 8.370 nan 0.000 0.507 917 R N 0.812 120.525 120.500 -1.312 0.000 2.198 917 R HA 0.501 4.849 4.340 0.013 0.000 0.339 917 R C -1.442 174.126 176.300 -1.220 0.000 1.020 917 R CA -0.167 55.318 56.100 -1.025 0.000 0.864 917 R CB 0.048 29.982 30.300 -0.609 0.000 1.105 917 R HN 0.267 nan 8.270 nan 0.000 0.463 918 W N 2.874 123.650 121.300 -0.873 0.000 2.606 918 W HA 0.421 5.089 4.660 0.013 0.000 0.332 918 W C -0.382 175.738 176.519 -0.665 0.000 1.052 918 W CA -0.722 56.056 57.345 -0.944 0.000 1.223 918 W CB 1.715 30.190 29.460 -1.643 0.000 1.383 918 W HN 0.361 nan 8.180 nan 0.000 0.524 919 D N 3.237 123.588 120.400 -0.082 0.000 2.602 919 D HA 0.479 5.127 4.640 0.013 0.000 0.245 919 D C -1.361 175.028 176.300 0.149 0.000 1.325 919 D CA -0.149 53.891 54.000 0.067 0.000 0.952 919 D CB 1.105 41.913 40.800 0.013 0.000 1.317 919 D HN 0.380 nan 8.370 nan 0.000 0.577 920 L N 3.246 124.632 121.223 0.271 0.000 2.327 920 L HA 0.599 4.947 4.340 0.013 0.000 0.258 920 L C -2.314 174.675 176.870 0.198 0.000 1.024 920 L CA -2.043 52.932 54.840 0.225 0.000 0.825 920 L CB 2.833 45.060 42.059 0.281 0.000 1.386 920 L HN 0.178 nan 8.230 nan 0.000 0.417 921 P HA 0.060 nan 4.420 nan 0.000 0.278 921 P C 0.556 177.935 177.300 0.131 0.000 1.238 921 P CA -0.477 62.696 63.100 0.123 0.000 0.794 921 P CB 1.473 33.225 31.700 0.085 0.000 0.955 922 L N 3.720 125.027 121.223 0.140 0.000 2.051 922 L HA -0.284 4.064 4.340 0.013 0.000 0.214 922 L C 2.457 179.372 176.870 0.075 0.000 1.076 922 L CA 2.965 57.874 54.840 0.115 0.000 0.758 922 L CB -1.669 40.469 42.059 0.132 0.000 0.890 922 L HN 0.513 nan 8.230 nan 0.000 0.433 923 S N -1.726 114.021 115.700 0.078 0.000 2.402 923 S HA -0.212 4.266 4.470 0.013 0.000 0.233 923 S C 1.626 176.297 174.600 0.118 0.000 1.030 923 S CA 1.330 59.590 58.200 0.101 0.000 1.003 923 S CB -0.851 62.402 63.200 0.088 0.000 0.813 923 S HN 0.577 nan 8.310 nan 0.000 0.477 924 D N 0.950 121.396 120.400 0.077 0.000 2.363 924 D HA 0.096 4.744 4.640 0.013 0.000 0.220 924 D C 1.095 177.397 176.300 0.002 0.000 0.994 924 D CA 0.534 54.557 54.000 0.039 0.000 0.890 924 D CB -0.087 40.743 40.800 0.049 0.000 0.906 924 D HN 0.399 nan 8.370 nan 0.000 0.530 925 M N -0.315 119.294 119.600 0.014 0.000 2.563 925 M HA 0.045 4.533 4.480 0.013 0.000 0.231 925 M C -0.065 176.225 176.300 -0.017 0.000 1.136 925 M CA -0.062 55.195 55.300 -0.073 0.000 1.026 925 M CB -0.836 31.708 32.600 -0.092 0.000 1.597 925 M HN -0.053 nan 8.290 nan 0.000 0.495 926 Y N -0.069 120.182 120.300 -0.082 0.000 2.361 926 Y HA 0.478 5.037 4.550 0.014 0.000 0.337 926 Y C -0.762 175.087 175.900 -0.084 0.000 0.965 926 Y CA -0.979 57.094 58.100 -0.045 0.000 1.091 926 Y CB 1.254 39.745 38.460 0.051 0.000 1.182 926 Y HN -0.132 nan 8.280 nan 0.000 0.450 927 T N 9.307 123.396 114.554 -0.774 0.000 2.733 927 T HA 0.256 4.614 4.350 0.013 0.000 0.294 927 T C -2.566 171.357 174.700 -1.296 0.000 0.956 927 T CA -1.446 60.113 62.100 -0.900 0.000 0.987 927 T CB 0.937 69.325 68.868 -0.799 0.000 0.920 927 T HN 0.473 nan 8.240 nan 0.000 0.470 928 P HA 0.051 nan 4.420 nan 0.000 0.232 928 P C -0.689 176.467 177.300 -0.239 0.000 1.738 928 P CA -0.384 62.326 63.100 -0.650 0.000 0.948 928 P CB -0.607 30.852 31.700 -0.401 0.000 1.943 929 Y N -0.116 120.124 120.300 -0.100 0.000 2.620 929 Y HA -0.093 4.465 4.550 0.013 0.000 0.330 929 Y C 2.251 178.212 175.900 0.102 0.000 1.186 929 Y CA 0.030 58.146 58.100 0.026 0.000 1.467 929 Y CB 0.153 38.563 38.460 -0.082 0.000 1.262 929 Y HN -0.082 nan 8.280 nan 0.000 0.550 930 V N 3.520 123.665 119.914 0.385 0.000 2.324 930 V HA -0.303 3.825 4.120 0.013 0.000 0.250 930 V C 0.637 176.914 176.094 0.306 0.000 1.060 930 V CA 1.463 63.965 62.300 0.336 0.000 1.042 930 V CB -0.655 31.402 31.823 0.389 0.000 0.650 930 V HN 0.592 nan 8.190 nan 0.000 0.450 931 F N 2.702 122.725 119.950 0.122 0.000 2.371 931 F HA 0.514 5.049 4.527 0.013 0.000 0.363 931 F C -2.492 173.342 175.800 0.057 0.000 1.122 931 F CA -3.647 54.372 58.000 0.032 0.000 1.129 931 F CB 0.832 39.770 39.000 -0.105 0.000 1.173 931 F HN -0.022 nan 8.300 nan 0.000 0.489 932 P HA 0.217 nan 4.420 nan 0.000 0.268 932 P C -1.079 175.918 177.300 -0.505 0.000 1.204 932 P CA 0.263 63.113 63.100 -0.416 0.000 0.768 932 P CB 0.991 32.471 31.700 -0.368 0.000 0.842 933 S N 0.461 116.059 115.700 -0.170 0.000 2.655 933 S HA 0.429 4.907 4.470 0.013 0.000 0.266 933 S C -0.881 173.723 174.600 0.005 0.000 1.149 933 S CA -1.004 57.144 58.200 -0.087 0.000 0.818 933 S CB 0.471 63.651 63.200 -0.034 0.000 1.130 933 S HN 0.312 nan 8.310 nan 0.000 0.476 934 E N 1.256 121.471 120.200 0.025 0.000 2.502 934 E HA 0.360 4.718 4.350 0.013 0.000 0.261 934 E C -0.152 176.513 176.600 0.108 0.000 0.974 934 E CA 0.925 57.366 56.400 0.068 0.000 0.936 934 E CB -0.270 29.495 29.700 0.108 0.000 0.926 934 E HN 0.814 nan 8.360 nan 0.000 0.459 935 N N 1.395 120.185 118.700 0.150 0.000 3.116 935 N HA 0.485 5.233 4.740 0.013 0.000 0.244 935 N C 0.255 175.811 175.510 0.076 0.000 1.485 935 N CA -0.513 52.660 53.050 0.205 0.000 0.884 935 N CB 0.754 39.365 38.487 0.207 0.000 1.415 935 N HN 0.701 nan 8.380 nan 0.000 0.524 936 G N -1.342 107.464 108.800 0.009 0.000 2.189 936 G HA2 -0.278 3.690 3.960 0.013 0.000 0.267 936 G HA3 -0.278 3.690 3.960 0.013 0.000 0.267 936 G C -0.118 174.520 174.900 -0.437 0.000 0.975 936 G CA 0.537 45.524 45.100 -0.188 0.000 0.644 936 G HN 0.766 nan 8.290 nan 0.000 0.537 937 L N 0.028 120.930 121.223 -0.534 0.000 2.506 937 L HA 0.633 4.981 4.340 0.013 0.000 0.281 937 L C 0.601 176.900 176.870 -0.953 0.000 1.228 937 L CA 0.486 54.770 54.840 -0.927 0.000 0.850 937 L CB 0.512 41.698 42.059 -1.455 0.000 1.110 937 L HN 0.263 nan 8.230 nan 0.000 0.496 938 R N 2.669 122.531 120.500 -1.063 0.000 2.538 938 R HA 0.494 4.842 4.340 0.013 0.000 0.292 938 R C -1.007 174.969 176.300 -0.541 0.000 1.008 938 R CA -0.272 55.334 56.100 -0.822 0.000 0.896 938 R CB 1.383 30.995 30.300 -1.146 0.000 1.187 938 R HN 0.752 nan 8.270 nan 0.000 0.440 939 C N 0.408 119.531 119.300 -0.296 0.000 2.352 939 C HA 0.704 5.172 4.460 0.013 0.000 0.387 939 C C 1.228 176.205 174.990 -0.021 0.000 1.294 939 C CA -0.048 58.874 59.018 -0.159 0.000 2.137 939 C CB 1.279 28.944 27.740 -0.124 0.000 2.146 939 C HN 1.024 nan 8.230 nan 0.000 0.559 940 G N 1.889 110.683 108.800 -0.011 0.000 2.395 940 G HA2 -0.182 3.786 3.960 0.013 0.000 0.300 940 G HA3 -0.182 3.786 3.960 0.013 0.000 0.300 940 G C -0.072 174.882 174.900 0.089 0.000 0.998 940 G CA 0.583 45.718 45.100 0.058 0.000 1.046 940 G HN 0.804 nan 8.290 nan 0.000 0.513 941 T N 0.171 114.644 114.554 -0.135 0.000 2.767 941 T HA 0.503 4.861 4.350 0.013 0.000 0.288 941 T C 1.322 175.727 174.700 -0.493 0.000 0.963 941 T CA -0.722 61.244 62.100 -0.224 0.000 1.019 941 T CB 1.392 70.092 68.868 -0.280 0.000 0.923 941 T HN 0.245 nan 8.240 nan 0.000 0.468 942 R N 1.602 122.040 120.500 -0.105 0.000 2.282 942 R HA 0.275 4.623 4.340 0.013 0.000 0.195 942 R C 0.530 176.872 176.300 0.070 0.000 0.909 942 R CA 0.207 56.306 56.100 -0.001 0.000 1.039 942 R CB 0.389 30.797 30.300 0.181 0.000 1.015 942 R HN 0.679 nan 8.270 nan 0.000 0.513 943 E N 0.596 120.833 120.200 0.060 0.000 2.321 943 E HA 0.298 4.656 4.350 0.013 0.000 0.281 943 E C -1.850 174.859 176.600 0.181 0.000 0.910 943 E CA -0.626 55.870 56.400 0.161 0.000 0.770 943 E CB 1.453 31.218 29.700 0.108 0.000 1.225 943 E HN -0.092 nan 8.360 nan 0.000 0.417 944 L N 4.130 125.514 121.223 0.268 0.000 2.386 944 L HA 0.605 4.953 4.340 0.013 0.000 0.271 944 L C -1.785 175.261 176.870 0.294 0.000 0.993 944 L CA -0.426 54.529 54.840 0.192 0.000 0.819 944 L CB 1.792 43.827 42.059 -0.039 0.000 1.294 944 L HN 0.464 nan 8.230 nan 0.000 0.414 945 N N 4.425 123.282 118.700 0.261 0.000 2.399 945 N HA 0.363 5.111 4.740 0.013 0.000 0.284 945 N C -2.017 173.708 175.510 0.359 0.000 1.025 945 N CA -0.249 52.947 53.050 0.242 0.000 0.885 945 N CB 2.091 40.661 38.487 0.139 0.000 1.339 945 N HN 0.588 nan 8.380 nan 0.000 0.487 946 Y N 1.360 121.796 120.300 0.227 0.000 2.361 946 Y HA 0.432 4.990 4.550 0.013 0.000 0.328 946 Y C 0.750 176.743 175.900 0.155 0.000 1.044 946 Y CA 0.130 58.368 58.100 0.230 0.000 1.085 946 Y CB 0.824 39.496 38.460 0.353 0.000 1.194 946 Y HN 0.834 nan 8.280 nan 0.000 0.438 947 G N 6.586 115.178 108.800 -0.348 0.000 2.611 947 G HA2 -0.305 3.663 3.960 0.013 0.000 0.301 947 G HA3 -0.305 3.663 3.960 0.013 0.000 0.301 947 G C -1.707 173.061 174.900 -0.219 0.000 1.233 947 G CA 0.217 45.115 45.100 -0.336 0.000 0.993 947 G HN 0.621 nan 8.290 nan 0.000 0.553 948 P HA 0.163 nan 4.420 nan 0.000 0.255 948 P C 0.097 177.196 177.300 -0.336 0.000 1.248 948 P CA 0.491 63.403 63.100 -0.314 0.000 0.807 948 P CB 0.094 31.579 31.700 -0.357 0.000 1.150 949 H N 0.661 119.643 119.070 -0.147 0.000 2.511 949 H HA 0.436 5.000 4.556 0.013 0.000 0.346 949 H C -0.030 174.957 175.328 -0.568 0.000 1.128 949 H CA 0.197 55.998 56.048 -0.411 0.000 1.342 949 H CB 1.419 30.736 29.762 -0.742 0.000 1.470 949 H HN 0.125 nan 8.280 nan 0.000 0.546 950 Q N 2.479 121.931 119.800 -0.580 0.000 2.289 950 Q HA 0.231 4.579 4.340 0.013 0.000 0.270 950 Q C -1.598 174.076 176.000 -0.542 0.000 1.038 950 Q CA -0.696 54.889 55.803 -0.364 0.000 0.812 950 Q CB 2.072 30.753 28.738 -0.095 0.000 1.300 950 Q HN 0.579 nan 8.270 nan 0.000 0.427 951 W N 3.897 125.124 121.300 -0.123 0.000 2.656 951 W HA 0.566 5.234 4.660 0.013 0.000 0.327 951 W C -0.209 176.363 176.519 0.088 0.000 1.041 951 W CA -0.659 56.586 57.345 -0.167 0.000 1.229 951 W CB 1.929 31.106 29.460 -0.471 0.000 1.397 951 W HN 0.510 nan 8.180 nan 0.000 0.479 952 R N 0.778 121.478 120.500 0.332 0.000 2.750 952 R HA 0.783 5.131 4.340 0.013 0.000 0.281 952 R C 0.216 176.752 176.300 0.393 0.000 0.972 952 R CA -0.441 55.870 56.100 0.352 0.000 0.912 952 R CB 2.420 32.849 30.300 0.215 0.000 1.187 952 R HN 0.750 nan 8.270 nan 0.000 0.464 953 G N 0.767 109.797 108.800 0.383 0.000 2.534 953 G HA2 -0.022 3.946 3.960 0.013 0.000 0.142 953 G HA3 -0.022 3.946 3.960 0.013 0.000 0.142 953 G C -1.761 173.269 174.900 0.217 0.000 1.178 953 G CA -0.407 44.894 45.100 0.335 0.000 1.037 953 G HN 0.510 nan 8.290 nan 0.000 0.474 954 D N 0.016 120.544 120.400 0.214 0.000 2.381 954 D HA 0.592 5.240 4.640 0.013 0.000 0.245 954 D C -0.583 175.729 176.300 0.019 0.000 1.297 954 D CA -0.472 53.545 54.000 0.028 0.000 0.931 954 D CB 0.103 40.941 40.800 0.063 0.000 1.334 954 D HN 0.580 nan 8.370 nan 0.000 0.535 955 F N -0.260 119.681 119.950 -0.016 0.000 2.706 955 F HA 0.749 5.284 4.527 0.013 0.000 0.328 955 F C -1.020 174.742 175.800 -0.063 0.000 1.123 955 F CA -1.008 56.926 58.000 -0.109 0.000 0.978 955 F CB 0.787 39.717 39.000 -0.118 0.000 1.404 955 F HN -0.144 nan 8.300 nan 0.000 0.497 956 Q N 1.462 121.363 119.800 0.168 0.000 2.348 956 Q HA 0.661 5.009 4.340 0.013 0.000 0.271 956 Q C -1.270 174.846 176.000 0.194 0.000 1.067 956 Q CA -0.540 55.275 55.803 0.019 0.000 0.839 956 Q CB 2.690 31.331 28.738 -0.161 0.000 1.354 956 Q HN 0.870 nan 8.270 nan 0.000 0.447 957 F N -1.258 118.582 119.950 -0.182 0.000 2.719 957 F HA 0.699 5.235 4.527 0.013 0.000 0.309 957 F C -1.906 173.676 175.800 -0.363 0.000 1.138 957 F CA -1.117 56.737 58.000 -0.243 0.000 0.943 957 F CB 1.386 40.291 39.000 -0.157 0.000 1.304 957 F HN 0.586 nan 8.300 nan 0.000 0.445 958 N N 1.882 120.360 118.700 -0.370 0.000 2.264 958 N HA 0.674 5.422 4.740 0.013 0.000 0.288 958 N C -2.271 173.137 175.510 -0.171 0.000 1.094 958 N CA -0.678 52.122 53.050 -0.417 0.000 0.817 958 N CB 2.513 40.799 38.487 -0.335 0.000 1.604 958 N HN 1.096 nan 8.380 nan 0.000 0.473 959 I N 1.067 121.539 120.570 -0.164 0.000 2.534 959 I HA 0.739 4.917 4.170 0.013 0.000 0.288 959 I C -1.128 174.898 176.117 -0.152 0.000 1.077 959 I CA -0.066 61.125 61.300 -0.181 0.000 1.051 959 I CB 1.388 39.224 38.000 -0.273 0.000 1.234 959 I HN 1.024 nan 8.210 nan 0.000 0.425 960 S N 6.348 121.971 115.700 -0.128 0.000 2.703 960 S HA 0.518 4.996 4.470 0.013 0.000 0.273 960 S C -0.216 174.274 174.600 -0.183 0.000 1.178 960 S CA -0.954 57.160 58.200 -0.143 0.000 0.838 960 S CB 1.678 64.846 63.200 -0.053 0.000 1.178 960 S HN 0.595 nan 8.310 nan 0.000 0.494 961 R N -0.181 120.047 120.500 -0.454 0.000 2.356 961 R HA 0.264 4.612 4.340 0.013 0.000 0.234 961 R C -1.023 174.949 176.300 -0.547 0.000 0.929 961 R CA 0.279 56.090 56.100 -0.482 0.000 1.084 961 R CB -0.871 29.043 30.300 -0.644 0.000 1.105 961 R HN 0.626 nan 8.270 nan 0.000 0.515 962 Y N 0.131 120.381 120.300 -0.085 0.000 2.331 962 Y HA 0.235 4.793 4.550 0.013 0.000 0.334 962 Y C 0.707 176.397 175.900 -0.351 0.000 0.960 962 Y CA -1.515 56.452 58.100 -0.222 0.000 1.130 962 Y CB 1.306 39.593 38.460 -0.288 0.000 1.164 962 Y HN -0.091 nan 8.280 nan 0.000 0.458 963 S N 1.751 117.107 115.700 -0.575 0.000 2.600 963 S HA 0.072 4.550 4.470 0.013 0.000 0.265 963 S C 0.924 175.186 174.600 -0.563 0.000 1.325 963 S CA -0.693 56.802 58.200 -1.176 0.000 1.002 963 S CB 1.046 63.259 63.200 -1.646 0.000 0.921 963 S HN 0.691 nan 8.310 nan 0.000 0.554 964 Q N 0.465 119.955 119.800 -0.516 0.000 2.224 964 Q HA -0.162 4.186 4.340 0.013 0.000 0.203 964 Q C 2.169 178.030 176.000 -0.230 0.000 0.970 964 Q CA 1.518 57.159 55.803 -0.270 0.000 0.865 964 Q CB -0.463 28.152 28.738 -0.206 0.000 0.922 964 Q HN 0.936 nan 8.270 nan 0.000 0.445 965 Q N 0.673 120.291 119.800 -0.302 0.000 2.050 965 Q HA -0.209 4.139 4.340 0.013 0.000 0.202 965 Q C 2.119 178.019 176.000 -0.167 0.000 0.980 965 Q CA 1.515 57.200 55.803 -0.196 0.000 0.840 965 Q CB 0.038 28.661 28.738 -0.192 0.000 0.898 965 Q HN 0.393 nan 8.270 nan 0.000 0.424 966 Q N -0.014 119.663 119.800 -0.206 0.000 2.124 966 Q HA -0.153 4.195 4.340 0.013 0.000 0.202 966 Q C 2.103 178.000 176.000 -0.172 0.000 0.977 966 Q CA 1.027 56.737 55.803 -0.156 0.000 0.850 966 Q CB -0.025 28.607 28.738 -0.177 0.000 0.901 966 Q HN 0.462 nan 8.270 nan 0.000 0.429 967 L N 0.482 121.591 121.223 -0.190 0.000 2.046 967 L HA -0.177 4.171 4.340 0.013 0.000 0.208 967 L C 2.639 179.390 176.870 -0.198 0.000 1.077 967 L CA 1.413 56.135 54.840 -0.197 0.000 0.747 967 L CB -0.422 41.550 42.059 -0.145 0.000 0.896 967 L HN 0.476 nan 8.230 nan 0.000 0.432 968 M N -2.057 117.456 119.600 -0.145 0.000 2.595 968 M HA -0.007 4.481 4.480 0.013 0.000 0.248 968 M C 1.228 177.471 176.300 -0.095 0.000 1.119 968 M CA 1.365 56.596 55.300 -0.115 0.000 1.079 968 M CB -0.151 32.393 32.600 -0.093 0.000 1.472 968 M HN 0.105 nan 8.290 nan 0.000 0.501 969 E N 0.868 121.010 120.200 -0.097 0.000 2.452 969 E HA 0.118 4.476 4.350 0.013 0.000 0.197 969 E C -0.241 176.329 176.600 -0.050 0.000 1.022 969 E CA 0.178 56.544 56.400 -0.056 0.000 0.890 969 E CB 0.624 30.297 29.700 -0.045 0.000 0.918 969 E HN 0.397 nan 8.360 nan 0.000 0.496 970 T N 0.653 115.145 114.554 -0.104 0.000 2.795 970 T HA 0.104 4.462 4.350 0.013 0.000 0.282 970 T C 1.133 175.768 174.700 -0.108 0.000 0.980 970 T CA -0.366 61.675 62.100 -0.098 0.000 1.012 970 T CB 1.668 70.445 68.868 -0.151 0.000 0.936 970 T HN 0.038 nan 8.240 nan 0.000 0.457 971 S N 1.975 117.718 115.700 0.073 0.000 2.458 971 S HA 0.066 4.544 4.470 0.013 0.000 0.223 971 S C 0.306 175.046 174.600 0.233 0.000 1.019 971 S CA 0.252 58.602 58.200 0.251 0.000 0.937 971 S CB -0.218 63.264 63.200 0.470 0.000 0.788 971 S HN 0.731 nan 8.310 nan 0.000 0.511 972 H N 0.762 119.891 119.070 0.098 0.000 2.637 972 H HA 0.552 5.116 4.556 0.013 0.000 0.363 972 H C 1.056 176.398 175.328 0.023 0.000 1.131 972 H CA -0.752 55.407 56.048 0.185 0.000 1.183 972 H CB 1.480 31.382 29.762 0.234 0.000 1.637 972 H HN 0.181 nan 8.280 nan 0.000 0.531 973 R N 1.678 122.313 120.500 0.225 0.000 2.120 973 R HA -0.150 4.198 4.340 0.013 0.000 0.234 973 R C 1.169 177.501 176.300 0.052 0.000 1.123 973 R CA 1.724 57.879 56.100 0.090 0.000 0.975 973 R CB -0.414 29.970 30.300 0.140 0.000 0.866 973 R HN 0.777 nan 8.270 nan 0.000 0.446 974 H N 1.016 120.108 119.070 0.038 0.000 2.546 974 H HA 0.039 4.603 4.556 0.013 0.000 0.277 974 H C 1.391 176.661 175.328 -0.098 0.000 1.004 974 H CA 0.689 56.724 56.048 -0.022 0.000 1.231 974 H CB -0.097 29.658 29.762 -0.011 0.000 1.382 974 H HN 0.314 nan 8.280 nan 0.000 0.580 975 L N 0.900 121.748 121.223 -0.624 0.000 2.592 975 L HA 0.228 4.576 4.340 0.013 0.000 0.227 975 L C 0.579 177.324 176.870 -0.208 0.000 1.127 975 L CA -0.129 54.410 54.840 -0.501 0.000 0.884 975 L CB 0.150 41.887 42.059 -0.537 0.000 1.065 975 L HN 0.058 nan 8.230 nan 0.000 0.457 976 L N 0.776 121.883 121.223 -0.194 0.000 2.395 976 L HA 0.212 4.560 4.340 0.013 0.000 0.269 976 L C 0.054 176.936 176.870 0.019 0.000 1.133 976 L CA -0.312 54.410 54.840 -0.196 0.000 0.812 976 L CB 0.575 42.275 42.059 -0.599 0.000 1.125 976 L HN 0.180 nan 8.230 nan 0.000 0.452 977 H N 1.497 120.597 119.070 0.050 0.000 2.600 977 H HA 0.584 5.148 4.556 0.013 0.000 0.357 977 H C -0.832 174.628 175.328 0.221 0.000 1.106 977 H CA -1.274 54.843 56.048 0.114 0.000 1.193 977 H CB 1.327 31.108 29.762 0.032 0.000 1.594 977 H HN 0.648 nan 8.280 nan 0.000 0.526 978 A N 3.468 126.348 122.820 0.100 0.000 2.488 978 A HA 0.137 4.465 4.320 0.013 0.000 0.249 978 A C 0.364 177.916 177.584 -0.054 0.000 1.083 978 A CA -0.243 51.709 52.037 -0.143 0.000 0.768 978 A CB -0.101 18.814 19.000 -0.142 0.000 1.017 978 A HN 0.825 nan 8.150 nan 0.000 0.496 979 E N 0.888 121.029 120.200 -0.098 0.000 2.312 979 E HA 0.226 4.584 4.350 0.013 0.000 0.259 979 E C 0.058 176.675 176.600 0.030 0.000 1.122 979 E CA -0.587 55.841 56.400 0.048 0.000 0.922 979 E CB 0.784 30.585 29.700 0.169 0.000 1.109 979 E HN 0.811 nan 8.360 nan 0.000 0.442 980 E N 0.470 120.699 120.200 0.048 0.000 2.392 980 E HA 0.213 4.571 4.350 0.013 0.000 0.264 980 E C 0.368 176.930 176.600 -0.063 0.000 1.024 980 E CA 0.496 56.894 56.400 -0.003 0.000 0.903 980 E CB 0.305 30.006 29.700 0.002 0.000 0.963 980 E HN 0.658 nan 8.360 nan 0.000 0.432 981 G N 2.862 111.624 108.800 -0.063 0.000 2.645 981 G HA2 -0.230 3.738 3.960 0.013 0.000 0.246 981 G HA3 -0.230 3.738 3.960 0.013 0.000 0.246 981 G C -0.607 174.232 174.900 -0.101 0.000 1.322 981 G CA -0.125 44.923 45.100 -0.087 0.000 0.898 981 G HN 0.695 nan 8.290 nan 0.000 0.573 982 T N 0.220 114.696 114.554 -0.130 0.000 2.879 982 T HA 0.496 4.854 4.350 0.013 0.000 0.290 982 T C -0.681 173.873 174.700 -0.244 0.000 0.993 982 T CA -0.181 61.842 62.100 -0.128 0.000 0.975 982 T CB 1.311 70.157 68.868 -0.036 0.000 0.981 982 T HN 0.566 nan 8.240 nan 0.000 0.439 983 W N 3.145 124.348 121.300 -0.162 0.000 2.287 983 W HA 0.568 5.236 4.660 0.013 0.000 0.313 983 W C -0.192 176.194 176.519 -0.222 0.000 1.267 983 W CA -0.589 56.659 57.345 -0.161 0.000 1.201 983 W CB 0.600 29.976 29.460 -0.141 0.000 1.196 983 W HN 0.369 nan 8.180 nan 0.000 0.536 984 L N 5.552 126.753 121.223 -0.035 0.000 2.356 984 L HA 0.510 4.858 4.340 0.013 0.000 0.277 984 L C -1.018 175.747 176.870 -0.175 0.000 0.996 984 L CA -0.533 54.174 54.840 -0.221 0.000 0.822 984 L CB 1.012 42.795 42.059 -0.460 0.000 1.256 984 L HN 0.321 nan 8.230 nan 0.000 0.413 985 N N 6.845 125.426 118.700 -0.198 0.000 2.524 985 N HA 0.445 5.193 4.740 0.013 0.000 0.261 985 N C -1.200 174.162 175.510 -0.247 0.000 0.998 985 N CA -0.182 52.755 53.050 -0.189 0.000 0.915 985 N CB 2.048 40.454 38.487 -0.135 0.000 1.187 985 N HN 0.558 nan 8.380 nan 0.000 0.507 986 I N 1.902 122.272 120.570 -0.332 0.000 2.330 986 I HA 0.221 4.399 4.170 0.013 0.000 0.289 986 I C -0.451 175.475 176.117 -0.318 0.000 1.001 986 I CA -0.596 60.467 61.300 -0.395 0.000 1.193 986 I CB 1.159 38.729 38.000 -0.718 0.000 1.345 986 I HN 0.155 nan 8.210 nan 0.000 0.461 987 D N 4.523 124.783 120.400 -0.233 0.000 2.185 987 D HA 0.282 4.930 4.640 0.013 0.000 0.247 987 D C 0.877 176.903 176.300 -0.456 0.000 1.027 987 D CA -0.303 53.501 54.000 -0.327 0.000 0.861 987 D CB 2.413 43.117 40.800 -0.160 0.000 1.202 987 D HN 0.657 nan 8.370 nan 0.000 0.453 988 G N 0.556 108.821 108.800 -0.891 0.000 2.426 988 G HA2 0.057 4.025 3.960 0.013 0.000 0.214 988 G HA3 0.057 4.025 3.960 0.013 0.000 0.214 988 G C 0.019 174.243 174.900 -1.126 0.000 1.156 988 G CA 0.409 44.832 45.100 -1.128 0.000 0.802 988 G HN 0.354 nan 8.290 nan 0.000 0.534 989 F N -1.849 117.920 119.950 -0.301 0.000 2.601 989 F HA 0.628 5.163 4.527 0.013 0.000 0.309 989 F C -0.602 175.107 175.800 -0.152 0.000 1.089 989 F CA -1.251 56.654 58.000 -0.158 0.000 0.940 989 F CB 2.088 40.961 39.000 -0.212 0.000 1.273 989 F HN 0.029 nan 8.300 nan 0.000 0.450 990 H N 1.643 120.727 119.070 0.022 0.000 2.865 990 H HA 0.513 5.077 4.556 0.013 0.000 0.362 990 H C -0.846 174.508 175.328 0.044 0.000 1.114 990 H CA -0.833 55.200 56.048 -0.026 0.000 1.208 990 H CB 1.831 31.557 29.762 -0.060 0.000 1.727 990 H HN 0.783 nan 8.280 nan 0.000 0.534 991 M N 3.404 122.944 119.600 -0.101 0.000 2.245 991 M HA 0.286 4.774 4.480 0.013 0.000 0.330 991 M C 0.480 176.880 176.300 0.166 0.000 1.098 991 M CA 0.271 55.582 55.300 0.019 0.000 1.172 991 M CB 0.360 32.881 32.600 -0.133 0.000 1.467 991 M HN 0.843 nan 8.290 nan 0.000 0.454 992 G N 2.831 111.711 108.800 0.133 0.000 2.699 992 G HA2 0.279 4.247 3.960 0.013 0.000 0.246 992 G HA3 0.279 4.247 3.960 0.013 0.000 0.246 992 G C 0.618 175.505 174.900 -0.022 0.000 1.219 992 G CA -0.403 44.717 45.100 0.033 0.000 0.866 992 G HN 0.976 nan 8.290 nan 0.000 0.572 993 I N -1.493 119.016 120.570 -0.102 0.000 3.645 993 I HA 0.394 4.572 4.170 0.013 0.000 0.300 993 I C 1.258 177.319 176.117 -0.093 0.000 1.260 993 I CA 0.487 61.693 61.300 -0.157 0.000 1.365 993 I CB -0.554 37.246 38.000 -0.334 0.000 1.077 993 I HN 0.926 nan 8.210 nan 0.000 0.439 994 G N 1.609 110.373 108.800 -0.059 0.000 2.601 994 G HA2 0.001 3.968 3.960 0.013 0.000 0.252 994 G HA3 0.001 3.968 3.960 0.013 0.000 0.252 994 G C 0.600 175.512 174.900 0.019 0.000 1.294 994 G CA 0.218 45.324 45.100 0.010 0.000 0.912 994 G HN 1.369 nan 8.290 nan 0.000 0.574 995 G N -2.480 106.347 108.800 0.045 0.000 2.613 995 G HA2 -0.005 3.963 3.960 0.013 0.000 0.199 995 G HA3 -0.005 3.963 3.960 0.013 0.000 0.199 995 G C 0.692 175.664 174.900 0.120 0.000 0.991 995 G CA 0.897 46.036 45.100 0.065 0.000 0.756 995 G HN 1.001 nan 8.290 nan 0.000 0.515 996 D N 1.304 121.797 120.400 0.154 0.000 2.239 996 D HA 0.077 4.725 4.640 0.013 0.000 0.202 996 D C 0.965 177.334 176.300 0.115 0.000 0.993 996 D CA 2.184 56.338 54.000 0.256 0.000 0.874 996 D CB 0.093 41.036 40.800 0.239 0.000 0.922 996 D HN 0.840 nan 8.370 nan 0.000 0.464 997 D N -3.690 116.570 120.400 -0.234 0.000 2.671 997 D HA 0.260 4.908 4.640 0.013 0.000 0.273 997 D C -0.994 174.804 176.300 -0.837 0.000 1.264 997 D CA -0.736 52.701 54.000 -0.938 0.000 0.788 997 D CB 0.738 40.558 40.800 -1.633 0.000 1.324 997 D HN -0.292 nan 8.370 nan 0.000 0.424 998 S N -0.080 114.955 115.700 -1.108 0.000 2.581 998 S HA 0.291 4.769 4.470 0.013 0.000 0.245 998 S C -0.763 173.828 174.600 -0.015 0.000 1.115 998 S CA -0.688 57.349 58.200 -0.272 0.000 1.093 998 S CB -0.625 62.683 63.200 0.180 0.000 0.853 998 S HN 0.582 nan 8.310 nan 0.000 0.479 999 W N 0.678 121.884 121.300 -0.158 0.000 1.686 999 W HA 0.567 5.234 4.660 0.012 0.000 0.263 999 W C -0.164 176.272 176.519 -0.140 0.000 0.860 999 W CA -0.620 56.611 57.345 -0.190 0.000 1.635 999 W CB -0.629 28.659 29.460 -0.287 0.000 0.998 999 W HN 0.191 nan 8.180 nan 0.000 0.464 1000 S N -1.475 114.121 115.700 -0.172 0.000 2.586 1000 S HA 0.512 4.990 4.470 0.013 0.000 0.277 1000 S C -3.202 171.329 174.600 -0.114 0.000 1.131 1000 S CA -1.320 56.810 58.200 -0.116 0.000 0.848 1000 S CB 1.319 64.475 63.200 -0.074 0.000 1.091 1000 S HN -0.198 nan 8.310 nan 0.000 0.453 1001 P HA 0.143 nan 4.420 nan 0.000 0.260 1001 P C 0.458 177.794 177.300 0.061 0.000 1.172 1001 P CA 0.253 63.347 63.100 -0.011 0.000 0.760 1001 P CB 0.511 32.084 31.700 -0.210 0.000 0.773 1002 S N 0.718 116.501 115.700 0.138 0.000 2.780 1002 S HA 0.139 4.617 4.470 0.013 0.000 0.248 1002 S C 0.192 174.885 174.600 0.156 0.000 1.036 1002 S CA -0.319 57.939 58.200 0.097 0.000 1.061 1002 S CB -0.210 62.997 63.200 0.012 0.000 1.037 1002 S HN 0.112 nan 8.310 nan 0.000 0.584 1003 V N 2.861 122.919 119.914 0.240 0.000 2.455 1003 V HA 0.382 4.510 4.120 0.013 0.000 0.273 1003 V C 0.796 177.056 176.094 0.275 0.000 1.045 1003 V CA -0.272 62.158 62.300 0.217 0.000 0.976 1003 V CB 0.989 32.888 31.823 0.127 0.000 0.993 1003 V HN 0.509 nan 8.190 nan 0.000 0.475 1004 S N 3.969 119.844 115.700 0.293 0.000 2.568 1004 S HA 0.300 4.778 4.470 0.013 0.000 0.282 1004 S C 1.552 176.294 174.600 0.236 0.000 1.338 1004 S CA 0.081 58.438 58.200 0.261 0.000 1.045 1004 S CB 1.140 64.514 63.200 0.290 0.000 0.873 1004 S HN 0.990 nan 8.310 nan 0.000 0.516 1005 A N 3.516 126.430 122.820 0.157 0.000 1.927 1005 A HA -0.170 4.158 4.320 0.013 0.000 0.220 1005 A C 2.020 179.633 177.584 0.048 0.000 1.185 1005 A CA 1.960 54.075 52.037 0.130 0.000 0.639 1005 A CB -0.733 18.321 19.000 0.090 0.000 0.820 1005 A HN 0.964 nan 8.150 nan 0.000 0.451 1006 E N -1.128 119.028 120.200 -0.074 0.000 2.409 1006 E HA -0.137 4.221 4.350 0.013 0.000 0.198 1006 E C 0.565 176.944 176.600 -0.370 0.000 1.024 1006 E CA 0.803 57.047 56.400 -0.260 0.000 0.861 1006 E CB -0.377 29.066 29.700 -0.428 0.000 0.788 1006 E HN 0.612 nan 8.360 nan 0.000 0.521 1007 F N 1.237 121.239 119.950 0.086 0.000 2.639 1007 F HA 0.318 4.852 4.527 0.013 0.000 0.302 1007 F C 0.732 176.570 175.800 0.064 0.000 1.097 1007 F CA -0.357 57.695 58.000 0.086 0.000 1.294 1007 F CB 0.411 39.463 39.000 0.086 0.000 1.027 1007 F HN -0.162 nan 8.300 nan 0.000 0.550 1008 Q N 0.725 120.633 119.800 0.180 0.000 2.222 1008 Q HA 0.463 4.811 4.340 0.013 0.000 0.252 1008 Q C -0.269 175.755 176.000 0.040 0.000 0.926 1008 Q CA -0.592 55.288 55.803 0.128 0.000 0.899 1008 Q CB 2.028 30.919 28.738 0.256 0.000 1.250 1008 Q HN 0.181 nan 8.270 nan 0.000 0.441 1009 L N 2.411 123.637 121.223 0.005 0.000 2.387 1009 L HA 0.131 4.479 4.340 0.013 0.000 0.267 1009 L C 0.546 177.367 176.870 -0.082 0.000 1.197 1009 L CA -0.048 54.784 54.840 -0.012 0.000 1.070 1009 L CB -0.235 41.713 42.059 -0.185 0.000 1.349 1009 L HN 0.688 nan 8.230 nan 0.000 0.422 1010 S N -1.038 114.547 115.700 -0.191 0.000 2.578 1010 S HA 0.153 4.631 4.470 0.013 0.000 0.231 1010 S C 1.629 176.182 174.600 -0.078 0.000 0.994 1010 S CA 0.168 58.135 58.200 -0.390 0.000 0.956 1010 S CB 0.774 63.598 63.200 -0.627 0.000 0.870 1010 S HN 0.514 nan 8.310 nan 0.000 0.494 1011 A N 1.606 124.409 122.820 -0.029 0.000 2.070 1011 A HA 0.414 4.742 4.320 0.013 0.000 0.220 1011 A C 2.160 179.623 177.584 -0.201 0.000 1.159 1011 A CA 1.344 53.219 52.037 -0.269 0.000 0.656 1011 A CB -1.327 17.207 19.000 -0.777 0.000 0.800 1011 A HN 1.486 nan 8.150 nan 0.000 0.453 1012 G N -1.321 107.484 108.800 0.008 0.000 2.550 1012 G HA2 -0.314 3.654 3.960 0.013 0.000 0.233 1012 G HA3 -0.314 3.654 3.960 0.013 0.000 0.233 1012 G C 0.490 175.427 174.900 0.061 0.000 1.170 1012 G CA 0.527 45.670 45.100 0.071 0.000 0.693 1012 G HN 0.694 nan 8.290 nan 0.000 0.512 1013 R N -0.365 120.050 120.500 -0.142 0.000 2.513 1013 R HA 0.662 5.010 4.340 0.013 0.000 0.301 1013 R C -1.495 174.599 176.300 -0.343 0.000 0.968 1013 R CA -0.579 55.470 56.100 -0.085 0.000 0.872 1013 R CB 1.442 31.712 30.300 -0.049 0.000 1.177 1013 R HN 0.251 nan 8.270 nan 0.000 0.444 1014 Y N 0.338 120.628 120.300 -0.016 0.000 2.499 1014 Y HA 0.373 4.931 4.550 0.013 0.000 0.347 1014 Y C -0.306 175.738 175.900 0.239 0.000 0.987 1014 Y CA -0.843 57.214 58.100 -0.072 0.000 1.044 1014 Y CB 2.119 40.365 38.460 -0.357 0.000 1.245 1014 Y HN 0.572 nan 8.280 nan 0.000 0.461 1015 H N 2.269 121.608 119.070 0.448 0.000 2.759 1015 H HA 0.600 5.164 4.556 0.013 0.000 0.354 1015 H C -1.882 173.825 175.328 0.630 0.000 1.074 1015 H CA -0.929 55.372 56.048 0.422 0.000 1.226 1015 H CB 1.190 31.090 29.762 0.230 0.000 1.648 1015 H HN 0.543 nan 8.280 nan 0.000 0.529 1016 Y N 1.934 122.021 120.300 -0.356 0.000 2.592 1016 Y HA 0.398 4.956 4.550 0.013 0.000 0.334 1016 Y C -2.048 173.649 175.900 -0.338 0.000 1.136 1016 Y CA -1.116 56.837 58.100 -0.244 0.000 1.042 1016 Y CB 1.262 39.690 38.460 -0.054 0.000 1.325 1016 Y HN 0.745 nan 8.280 nan 0.000 0.457 1017 Q N 3.619 123.363 119.800 -0.094 0.000 2.347 1017 Q HA 0.804 5.152 4.340 0.013 0.000 0.271 1017 Q C -2.027 174.031 176.000 0.096 0.000 1.064 1017 Q CA -1.021 54.734 55.803 -0.080 0.000 0.800 1017 Q CB 3.192 31.924 28.738 -0.010 0.000 1.304 1017 Q HN 0.863 nan 8.270 nan 0.000 0.438 1018 L N 1.439 122.708 121.223 0.077 0.000 2.370 1018 L HA 0.720 5.068 4.340 0.013 0.000 0.266 1018 L C -0.869 176.100 176.870 0.166 0.000 1.002 1018 L CA -1.307 53.622 54.840 0.147 0.000 0.818 1018 L CB 2.536 44.662 42.059 0.112 0.000 1.325 1018 L HN 0.463 nan 8.230 nan 0.000 0.418 1019 V N 0.964 121.002 119.914 0.207 0.000 2.407 1019 V HA 0.371 4.499 4.120 0.013 0.000 0.291 1019 V C -1.124 175.128 176.094 0.264 0.000 1.018 1019 V CA -0.443 61.985 62.300 0.214 0.000 0.842 1019 V CB 1.910 33.834 31.823 0.168 0.000 0.996 1019 V HN 0.594 nan 8.190 nan 0.000 0.426 1020 W N 6.897 128.250 121.300 0.088 0.000 2.478 1020 W HA 0.729 5.397 4.660 0.014 0.000 0.318 1020 W C -0.225 176.302 176.519 0.013 0.000 1.062 1020 W CA -1.017 56.316 57.345 -0.020 0.000 1.210 1020 W CB 1.521 31.025 29.460 0.074 0.000 1.325 1020 W HN 0.880 nan 8.180 nan 0.000 0.496 1021 C N 3.661 123.222 119.300 0.435 0.000 3.320 1021 C HA 0.656 5.124 4.460 0.013 0.000 0.335 1021 C C -0.876 174.236 174.990 0.204 0.000 1.430 1021 C CA -0.890 58.305 59.018 0.296 0.000 1.271 1021 C CB 1.621 29.467 27.740 0.176 0.000 1.609 1021 C HN 0.716 nan 8.230 nan 0.000 0.457 1022 Q N 1.463 121.340 119.800 0.127 0.000 2.293 1022 Q HA 0.626 4.974 4.340 0.013 0.000 0.261 1022 Q C -0.426 175.578 176.000 0.007 0.000 0.960 1022 Q CA -0.293 55.529 55.803 0.030 0.000 0.882 1022 Q CB 1.384 30.121 28.738 -0.003 0.000 1.275 1022 Q HN 0.856 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.382 120.400 -0.030 0.000 2.780 1023 K HA 0.000 4.328 4.320 0.013 0.000 0.191 1023 K CA 0.000 56.275 56.287 -0.020 0.000 0.838 1023 K CB 0.000 32.487 32.500 -0.021 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543