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 3i3e_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAA GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.082 176.300 -0.364 0.000 0.893 13 R CA 0.000 55.963 56.100 -0.228 0.000 0.921 13 R CB 0.000 30.177 30.300 -0.204 0.000 0.687 14 R N 1.222 121.377 120.500 -0.574 0.000 3.092 14 R HA -0.170 4.177 4.340 0.011 0.000 0.245 14 R C -0.515 175.220 176.300 -0.941 0.000 0.881 14 R CA 0.897 56.215 56.100 -1.304 0.000 0.614 14 R CB -1.047 28.658 30.300 -0.991 0.000 1.128 14 R HN 0.394 nan 8.270 nan 0.000 0.483 15 D N -0.149 119.901 120.400 -0.583 0.000 2.350 15 D HA -0.151 4.496 4.640 0.011 0.000 0.216 15 D C 1.563 177.767 176.300 -0.160 0.000 0.968 15 D CA 1.406 55.165 54.000 -0.402 0.000 0.894 15 D CB -0.074 40.335 40.800 -0.652 0.000 0.909 15 D HN 0.721 nan 8.370 nan 0.000 0.520 16 W N 1.249 122.553 121.300 0.007 0.000 3.180 16 W HA 0.216 4.883 4.660 0.010 0.000 0.254 16 W C 0.549 177.167 176.519 0.165 0.000 1.318 16 W CA -0.241 57.224 57.345 0.199 0.000 1.608 16 W CB -0.169 29.446 29.460 0.259 0.000 1.124 16 W HN -0.203 nan 8.180 nan 0.000 0.694 17 E N 1.048 121.133 120.200 -0.191 0.000 3.306 17 E HA 0.044 4.400 4.350 0.011 0.000 0.197 17 E C -0.726 175.736 176.600 -0.231 0.000 0.980 17 E CA -0.199 56.115 56.400 -0.142 0.000 1.259 17 E CB -0.154 29.434 29.700 -0.187 0.000 1.112 17 E HN 0.019 nan 8.360 nan 0.000 0.458 18 N N 1.294 119.892 118.700 -0.170 0.000 2.558 18 N HA 0.134 4.880 4.740 0.011 0.000 0.285 18 N C -2.222 173.163 175.510 -0.208 0.000 1.112 18 N CA -1.999 50.917 53.050 -0.224 0.000 0.857 18 N CB 1.603 39.965 38.487 -0.208 0.000 1.376 18 N HN -0.162 nan 8.380 nan 0.000 0.526 19 P HA 0.037 nan 4.420 nan 0.000 0.230 19 P C 1.001 178.077 177.300 -0.373 0.000 1.158 19 P CA 0.594 63.384 63.100 -0.516 0.000 0.769 19 P CB 0.214 31.135 31.700 -1.298 0.000 0.807 20 G N -0.186 108.435 108.800 -0.297 0.000 2.623 20 G HA2 0.054 4.020 3.960 0.011 0.000 0.214 20 G HA3 0.054 4.020 3.960 0.011 0.000 0.214 20 G C 0.408 175.238 174.900 -0.117 0.000 1.138 20 G CA 0.167 45.143 45.100 -0.207 0.000 0.794 20 G HN 0.207 nan 8.290 nan 0.000 0.535 21 V N 1.725 121.590 119.914 -0.081 0.000 2.304 21 V HA 0.306 4.433 4.120 0.011 0.000 0.278 21 V C 0.811 176.972 176.094 0.112 0.000 1.018 21 V CA 0.112 62.419 62.300 0.012 0.000 0.814 21 V CB 1.175 32.995 31.823 -0.005 0.000 1.021 21 V HN 0.313 nan 8.190 nan 0.000 0.440 22 T N 0.536 115.143 114.554 0.088 0.000 3.054 22 T HA 0.404 4.760 4.350 0.011 0.000 0.255 22 T C 0.215 174.942 174.700 0.044 0.000 1.035 22 T CA 0.048 62.196 62.100 0.079 0.000 0.941 22 T CB 0.270 69.145 68.868 0.012 0.000 1.026 22 T HN 0.718 nan 8.240 nan 0.000 0.533 23 Q N 0.209 120.090 119.800 0.136 0.000 2.848 23 Q HA 0.626 4.972 4.340 0.011 0.000 0.288 23 Q C -2.413 173.717 176.000 0.217 0.000 0.907 23 Q CA -1.009 54.863 55.803 0.116 0.000 0.792 23 Q CB 0.528 29.262 28.738 -0.007 0.000 1.534 23 Q HN 0.224 nan 8.270 nan 0.000 0.419 24 L N 1.729 123.101 121.223 0.249 0.000 2.505 24 L HA 0.595 4.942 4.340 0.011 0.000 0.266 24 L C -0.641 176.348 176.870 0.199 0.000 0.954 24 L CA -0.904 54.096 54.840 0.267 0.000 0.852 24 L CB 1.975 44.316 42.059 0.471 0.000 1.282 24 L HN 0.861 nan 8.230 nan 0.000 0.403 25 N N 1.043 119.834 118.700 0.151 0.000 2.708 25 N HA -0.213 4.533 4.740 0.011 0.000 0.251 25 N C 0.138 175.742 175.510 0.157 0.000 1.123 25 N CA 0.836 53.964 53.050 0.130 0.000 0.739 25 N CB -0.790 37.727 38.487 0.049 0.000 1.113 25 N HN 0.649 nan 8.380 nan 0.000 0.561 26 R N 0.847 121.370 120.500 0.039 0.000 2.390 26 R HA 0.404 4.750 4.340 0.011 0.000 0.291 26 R C 0.556 176.739 176.300 -0.194 0.000 1.070 26 R CA -0.408 55.521 56.100 -0.285 0.000 1.014 26 R CB 0.584 30.699 30.300 -0.309 0.000 1.007 26 R HN 0.118 nan 8.270 nan 0.000 0.466 27 L N 2.985 124.059 121.223 -0.249 0.000 2.466 27 L HA 0.300 4.647 4.340 0.011 0.000 0.257 27 L C 0.705 177.527 176.870 -0.080 0.000 1.189 27 L CA -0.566 54.214 54.840 -0.099 0.000 0.813 27 L CB 0.743 42.773 42.059 -0.048 0.000 1.118 27 L HN 0.765 nan 8.230 nan 0.000 0.471 28 A N 1.308 124.125 122.820 -0.005 0.000 2.466 28 A HA 0.487 4.813 4.320 0.011 0.000 0.238 28 A C 0.297 177.873 177.584 -0.013 0.000 1.074 28 A CA 0.024 52.063 52.037 0.003 0.000 0.774 28 A CB 0.182 19.214 19.000 0.053 0.000 1.015 28 A HN 0.798 nan 8.150 nan 0.000 0.498 29 A N 1.235 123.999 122.820 -0.094 0.000 2.332 29 A HA 0.689 5.016 4.320 0.011 0.000 0.258 29 A C 0.077 177.539 177.584 -0.203 0.000 1.087 29 A CA 0.414 52.303 52.037 -0.246 0.000 0.802 29 A CB -0.040 18.837 19.000 -0.205 0.000 1.042 29 A HN 1.858 nan 8.150 nan 0.000 0.489 30 H N -2.299 116.633 119.070 -0.229 0.000 2.950 30 H HA 0.636 5.199 4.556 0.011 0.000 0.307 30 H C -3.426 171.618 175.328 -0.474 0.000 1.403 30 H CA -1.889 53.962 56.048 -0.328 0.000 1.145 30 H CB -0.064 29.430 29.762 -0.447 0.000 1.844 30 H HN 0.367 nan 8.280 nan 0.000 0.515 31 P HA 0.204 nan 4.420 nan 0.000 0.273 31 P C -2.572 174.539 177.300 -0.314 0.000 1.250 31 P CA -1.289 61.603 63.100 -0.348 0.000 0.793 31 P CB -0.140 31.248 31.700 -0.520 0.000 1.011 32 P HA 0.033 nan 4.420 nan 0.000 0.260 32 P C -0.903 176.563 177.300 0.277 0.000 1.185 32 P CA 1.025 64.150 63.100 0.042 0.000 0.763 32 P CB -0.115 31.658 31.700 0.122 0.000 0.776 33 F N 2.031 122.073 119.950 0.153 0.000 2.507 33 F HA 0.630 5.163 4.527 0.011 0.000 0.327 33 F C 1.039 176.763 175.800 -0.128 0.000 1.068 33 F CA -1.352 56.673 58.000 0.041 0.000 0.965 33 F CB 1.200 40.173 39.000 -0.045 0.000 1.192 33 F HN 0.291 nan 8.300 nan 0.000 0.476 34 A N 0.125 122.857 122.820 -0.147 0.000 2.425 34 A HA 0.316 4.642 4.320 0.011 0.000 0.201 34 A C 0.666 177.913 177.584 -0.561 0.000 1.431 34 A CA 0.620 52.312 52.037 -0.575 0.000 1.066 34 A CB -0.365 17.754 19.000 -1.468 0.000 1.318 34 A HN 0.879 nan 8.150 nan 0.000 0.534 35 S N 0.471 115.963 115.700 -0.348 0.000 3.524 35 S HA -0.146 4.331 4.470 0.011 0.000 0.377 35 S C -0.078 174.432 174.600 -0.151 0.000 0.949 35 S CA 0.405 58.476 58.200 -0.215 0.000 1.264 35 S CB -1.611 61.474 63.200 -0.192 0.000 0.918 35 S HN 0.447 nan 8.310 nan 0.000 0.517 36 W N 2.083 123.364 121.300 -0.032 0.000 2.158 36 W HA 0.274 4.940 4.660 0.010 0.000 0.339 36 W C 1.364 177.859 176.519 -0.040 0.000 1.294 36 W CA -0.616 56.713 57.345 -0.026 0.000 1.231 36 W CB 0.283 29.729 29.460 -0.023 0.000 1.143 36 W HN 0.369 nan 8.180 nan 0.000 0.571 37 R N 1.726 122.345 120.500 0.198 0.000 2.509 37 R HA 0.081 4.427 4.340 0.011 0.000 0.300 37 R C -0.077 176.273 176.300 0.084 0.000 0.985 37 R CA -0.108 56.049 56.100 0.096 0.000 1.092 37 R CB -0.194 30.131 30.300 0.041 0.000 1.237 37 R HN 0.357 nan 8.270 nan 0.000 0.546 38 N N 0.100 118.868 118.700 0.113 0.000 2.454 38 N HA 0.112 4.858 4.740 0.011 0.000 0.291 38 N C -0.086 175.398 175.510 -0.042 0.000 1.079 38 N CA 0.006 53.074 53.050 0.031 0.000 0.893 38 N CB 1.782 40.286 38.487 0.028 0.000 1.512 38 N HN -0.256 nan 8.380 nan 0.000 0.497 39 S N 2.335 117.989 115.700 -0.076 0.000 2.399 39 S HA -0.164 4.313 4.470 0.011 0.000 0.231 39 S C 1.392 175.826 174.600 -0.276 0.000 1.022 39 S CA 1.141 59.252 58.200 -0.149 0.000 0.983 39 S CB 0.019 63.163 63.200 -0.094 0.000 0.803 39 S HN 0.739 nan 8.310 nan 0.000 0.480 40 E N 1.486 121.540 120.200 -0.243 0.000 2.150 40 E HA -0.118 4.238 4.350 0.011 0.000 0.193 40 E C 1.860 178.247 176.600 -0.355 0.000 0.985 40 E CA 1.009 57.226 56.400 -0.304 0.000 0.814 40 E CB -0.111 29.464 29.700 -0.208 0.000 0.752 40 E HN 0.276 nan 8.360 nan 0.000 0.466 41 E N 0.135 120.134 120.200 -0.336 0.000 2.072 41 E HA -0.098 4.258 4.350 0.011 0.000 0.191 41 E C 1.993 178.013 176.600 -0.967 0.000 0.985 41 E CA 1.100 57.255 56.400 -0.408 0.000 0.801 41 E CB -0.538 29.073 29.700 -0.148 0.000 0.750 41 E HN 0.368 nan 8.360 nan 0.000 0.452 42 A N 1.622 123.671 122.820 -1.286 0.000 1.902 42 A HA -0.206 4.121 4.320 0.011 0.000 0.217 42 A C 2.253 179.237 177.584 -1.000 0.000 1.181 42 A CA 1.761 52.717 52.037 -1.801 0.000 0.623 42 A CB -0.512 17.962 19.000 -0.877 0.000 0.818 42 A HN 0.147 nan 8.150 nan 0.000 0.443 43 R N -0.267 119.833 120.500 -0.667 0.000 2.073 43 R HA -0.144 4.203 4.340 0.011 0.000 0.234 43 R C 2.175 178.217 176.300 -0.430 0.000 1.134 43 R CA 2.214 57.980 56.100 -0.557 0.000 0.952 43 R CB -0.558 29.285 30.300 -0.762 0.000 0.850 43 R HN 0.638 nan 8.270 nan 0.000 0.433 44 T N -2.459 111.854 114.554 -0.402 0.000 3.118 44 T HA -0.033 4.324 4.350 0.011 0.000 0.260 44 T C 0.441 175.038 174.700 -0.171 0.000 1.139 44 T CA 0.781 62.733 62.100 -0.247 0.000 1.085 44 T CB -0.115 68.635 68.868 -0.196 0.000 0.934 44 T HN 0.446 nan 8.240 nan 0.000 0.518 45 D N 0.605 120.846 120.400 -0.265 0.000 2.800 45 D HA -0.161 4.486 4.640 0.011 0.000 0.232 45 D C 0.007 176.395 176.300 0.146 0.000 1.137 45 D CA 0.393 54.367 54.000 -0.043 0.000 0.718 45 D CB -1.162 39.675 40.800 0.061 0.000 1.084 45 D HN 0.579 nan 8.370 nan 0.000 0.432 46 R N -0.053 120.503 120.500 0.092 0.000 2.577 46 R HA 0.495 4.841 4.340 0.011 0.000 0.269 46 R C -2.080 174.453 176.300 0.388 0.000 1.084 46 R CA -1.448 54.760 56.100 0.181 0.000 1.163 46 R CB 0.198 30.550 30.300 0.087 0.000 1.100 46 R HN 0.070 nan 8.270 nan 0.000 0.547 47 P HA -0.087 nan 4.420 nan 0.000 0.266 47 P C -0.818 176.648 177.300 0.276 0.000 1.193 47 P CA 0.458 63.699 63.100 0.235 0.000 0.770 47 P CB 0.600 32.389 31.700 0.148 0.000 0.836 48 S N 1.518 117.279 115.700 0.100 0.000 2.449 48 S HA 0.141 4.617 4.470 0.011 0.000 0.310 48 S C 0.858 175.474 174.600 0.027 0.000 1.096 48 S CA -0.561 57.617 58.200 -0.037 0.000 1.095 48 S CB 0.505 63.367 63.200 -0.562 0.000 1.007 48 S HN 0.217 nan 8.310 nan 0.000 0.474 49 Q N 2.807 122.655 119.800 0.081 0.000 2.437 49 Q HA -0.015 4.332 4.340 0.011 0.000 0.210 49 Q C 0.948 177.068 176.000 0.201 0.000 0.972 49 Q CA 1.122 57.008 55.803 0.139 0.000 0.903 49 Q CB -0.093 28.725 28.738 0.133 0.000 0.967 49 Q HN 0.701 nan 8.270 nan 0.000 0.486 50 Q N -0.437 119.390 119.800 0.044 0.000 2.403 50 Q HA 0.111 4.457 4.340 0.011 0.000 0.203 50 Q C -0.245 175.789 176.000 0.057 0.000 0.932 50 Q CA 0.139 55.901 55.803 -0.069 0.000 0.945 50 Q CB 0.439 29.054 28.738 -0.204 0.000 1.045 50 Q HN 0.047 nan 8.270 nan 0.000 0.511 51 L N 0.953 122.232 121.223 0.093 0.000 2.353 51 L HA 0.424 4.771 4.340 0.011 0.000 0.270 51 L C -1.135 175.825 176.870 0.149 0.000 1.003 51 L CA -0.311 54.588 54.840 0.097 0.000 0.862 51 L CB 0.888 42.915 42.059 -0.053 0.000 1.221 51 L HN -0.115 nan 8.230 nan 0.000 0.430 52 R N 2.315 122.941 120.500 0.210 0.000 2.604 52 R HA 0.613 4.959 4.340 0.011 0.000 0.287 52 R C -0.503 175.826 176.300 0.048 0.000 0.970 52 R CA -0.683 55.485 56.100 0.112 0.000 0.946 52 R CB 1.970 32.302 30.300 0.054 0.000 1.127 52 R HN 0.629 nan 8.270 nan 0.000 0.473 53 S N 2.056 117.773 115.700 0.027 0.000 2.508 53 S HA 0.291 4.767 4.470 0.011 0.000 0.284 53 S C 0.563 175.163 174.600 0.001 0.000 1.192 53 S CA -0.679 57.527 58.200 0.011 0.000 1.070 53 S CB 0.588 63.804 63.200 0.027 0.000 1.004 53 S HN 0.577 nan 8.310 nan 0.000 0.493 54 L N 3.458 124.678 121.223 -0.004 0.000 2.769 54 L HA 0.294 4.640 4.340 0.011 0.000 0.240 54 L C 0.134 177.150 176.870 0.242 0.000 1.163 54 L CA -0.336 54.519 54.840 0.025 0.000 0.962 54 L CB -0.247 41.761 42.059 -0.086 0.000 1.258 54 L HN 0.534 nan 8.230 nan 0.000 0.513 55 N N 1.339 120.134 118.700 0.157 0.000 2.479 55 N HA 0.451 5.197 4.740 0.011 0.000 0.257 55 N C 0.610 176.253 175.510 0.222 0.000 1.232 55 N CA 0.947 54.099 53.050 0.169 0.000 0.920 55 N CB 1.343 39.857 38.487 0.045 0.000 1.105 55 N HN 0.296 nan 8.380 nan 0.000 0.444 56 G N 0.558 109.516 108.800 0.264 0.000 2.347 56 G HA2 -0.059 3.907 3.960 0.011 0.000 0.224 56 G HA3 -0.059 3.907 3.960 0.011 0.000 0.224 56 G C -1.649 173.470 174.900 0.366 0.000 1.318 56 G CA -0.798 44.446 45.100 0.240 0.000 1.016 56 G HN 0.457 nan 8.290 nan 0.000 0.469 57 E N 0.137 120.516 120.200 0.298 0.000 2.223 57 E HA 0.425 4.781 4.350 0.011 0.000 0.282 57 E C -1.003 175.852 176.600 0.426 0.000 1.046 57 E CA -0.025 56.561 56.400 0.309 0.000 0.857 57 E CB 1.022 30.824 29.700 0.171 0.000 1.055 57 E HN 0.343 nan 8.360 nan 0.000 0.409 58 W N 1.614 123.005 121.300 0.151 0.000 2.804 58 W HA 0.383 5.049 4.660 0.011 0.000 0.352 58 W C 0.279 176.933 176.519 0.224 0.000 1.153 58 W CA -0.792 56.676 57.345 0.205 0.000 1.119 58 W CB 0.784 30.418 29.460 0.291 0.000 1.448 58 W HN 0.174 nan 8.180 nan 0.000 0.600 59 R N 1.489 122.281 120.500 0.486 0.000 2.368 59 R HA 0.571 4.918 4.340 0.011 0.000 0.302 59 R C -1.450 175.112 176.300 0.435 0.000 1.002 59 R CA -0.877 55.441 56.100 0.364 0.000 0.929 59 R CB 1.088 31.548 30.300 0.268 0.000 1.073 59 R HN 0.475 nan 8.270 nan 0.000 0.464 60 F N 0.479 120.478 119.950 0.082 0.000 2.581 60 F HA 0.629 5.162 4.527 0.011 0.000 0.311 60 F C -1.518 174.121 175.800 -0.269 0.000 1.113 60 F CA -0.624 57.277 58.000 -0.164 0.000 0.935 60 F CB 1.998 40.797 39.000 -0.335 0.000 1.232 60 F HN 0.604 nan 8.300 nan 0.000 0.445 61 A N 4.653 126.663 122.820 -1.349 0.000 2.427 61 A HA 0.551 4.877 4.320 0.011 0.000 0.298 61 A C -2.344 174.250 177.584 -1.651 0.000 1.036 61 A CA -0.505 50.834 52.037 -1.164 0.000 0.701 61 A CB 0.648 19.265 19.000 -0.639 0.000 1.250 61 A HN 0.939 nan 8.150 nan 0.000 0.412 62 W N 2.747 123.130 121.300 -1.529 0.000 2.438 62 W HA 0.746 5.412 4.660 0.011 0.000 0.324 62 W C -1.737 174.092 176.519 -1.149 0.000 1.119 62 W CA -0.229 56.390 57.345 -1.210 0.000 1.221 62 W CB 0.958 29.994 29.460 -0.706 0.000 1.253 62 W HN 0.487 nan 8.180 nan 0.000 0.555 63 F N 6.090 125.282 119.950 -1.262 0.000 2.588 63 F HA 0.339 4.872 4.527 0.011 0.000 0.310 63 F C -1.262 173.616 175.800 -1.536 0.000 1.082 63 F CA -2.202 55.182 58.000 -1.026 0.000 0.929 63 F CB 1.985 40.564 39.000 -0.701 0.000 1.254 63 F HN 0.219 nan 8.300 nan 0.000 0.455 64 P HA 0.101 nan 4.420 nan 0.000 0.229 64 P C -0.302 176.853 177.300 -0.242 0.000 1.160 64 P CA 0.888 63.711 63.100 -0.461 0.000 0.777 64 P CB 0.808 32.498 31.700 -0.017 0.000 0.814 65 A N -0.330 122.351 122.820 -0.231 0.000 2.597 65 A HA 0.484 4.811 4.320 0.011 0.000 0.292 65 A C -2.457 175.000 177.584 -0.211 0.000 1.057 65 A CA -0.950 50.998 52.037 -0.149 0.000 0.674 65 A CB 0.417 19.396 19.000 -0.035 0.000 1.278 65 A HN -0.275 nan 8.150 nan 0.000 0.416 66 P HA -0.127 nan 4.420 nan 0.000 0.220 66 P C 0.597 177.782 177.300 -0.191 0.000 1.148 66 P CA 1.443 64.386 63.100 -0.261 0.000 0.803 66 P CB 0.283 31.778 31.700 -0.341 0.000 0.782 67 E N 0.167 120.310 120.200 -0.095 0.000 2.409 67 E HA -0.002 4.354 4.350 0.011 0.000 0.198 67 E C 2.017 178.536 176.600 -0.135 0.000 1.024 67 E CA 0.978 57.337 56.400 -0.067 0.000 0.861 67 E CB -0.754 28.948 29.700 0.002 0.000 0.788 67 E HN 0.268 nan 8.360 nan 0.000 0.521 68 A N 0.235 122.934 122.820 -0.202 0.000 2.238 68 A HA 0.112 4.438 4.320 0.011 0.000 0.210 68 A C 0.691 177.943 177.584 -0.554 0.000 1.179 68 A CA -0.187 51.719 52.037 -0.219 0.000 0.827 68 A CB 0.334 19.298 19.000 -0.059 0.000 0.856 68 A HN 0.042 nan 8.150 nan 0.000 0.488 69 V N 3.631 123.078 119.914 -0.779 0.000 2.479 69 V HA 0.166 4.293 4.120 0.011 0.000 0.281 69 V C -1.890 173.842 176.094 -0.602 0.000 1.031 69 V CA -1.289 60.316 62.300 -1.158 0.000 1.038 69 V CB 0.390 31.656 31.823 -0.929 0.000 0.981 69 V HN 0.405 nan 8.190 nan 0.000 0.478 70 P HA 0.145 nan 4.420 nan 0.000 0.276 70 P C 0.570 177.807 177.300 -0.105 0.000 1.230 70 P CA -0.204 62.776 63.100 -0.200 0.000 0.776 70 P CB 1.487 33.129 31.700 -0.097 0.000 0.888 71 E N 3.398 123.547 120.200 -0.085 0.000 2.086 71 E HA -0.261 4.095 4.350 0.011 0.000 0.200 71 E C 1.876 178.446 176.600 -0.051 0.000 1.012 71 E CA 2.585 58.941 56.400 -0.073 0.000 0.812 71 E CB -0.786 28.878 29.700 -0.060 0.000 0.743 71 E HN 0.500 nan 8.360 nan 0.000 0.453 72 S N -0.665 115.024 115.700 -0.019 0.000 2.423 72 S HA -0.241 4.236 4.470 0.011 0.000 0.238 72 S C 1.909 176.520 174.600 0.017 0.000 1.028 72 S CA 1.202 59.399 58.200 -0.005 0.000 1.000 72 S CB -1.145 62.065 63.200 0.016 0.000 0.797 72 S HN 0.619 nan 8.310 nan 0.000 0.487 73 W N 2.374 123.585 121.300 -0.149 0.000 2.325 73 W HA -0.056 4.611 4.660 0.010 0.000 0.299 73 W C 1.735 178.152 176.519 -0.170 0.000 1.215 73 W CA 1.278 58.536 57.345 -0.145 0.000 1.244 73 W CB -0.474 28.871 29.460 -0.192 0.000 1.140 73 W HN 0.308 nan 8.180 nan 0.000 0.523 74 L N 0.186 121.167 121.223 -0.405 0.000 2.083 74 L HA -0.181 4.165 4.340 0.011 0.000 0.209 74 L C 2.508 179.145 176.870 -0.388 0.000 1.083 74 L CA 1.359 55.814 54.840 -0.640 0.000 0.752 74 L CB -0.787 40.920 42.059 -0.586 0.000 0.899 74 L HN -0.045 nan 8.230 nan 0.000 0.433 75 E N -0.574 119.489 120.200 -0.229 0.000 2.140 75 E HA 0.005 4.361 4.350 0.011 0.000 0.191 75 E C 0.647 177.178 176.600 -0.115 0.000 0.973 75 E CA 0.733 57.052 56.400 -0.135 0.000 0.829 75 E CB 0.355 30.007 29.700 -0.079 0.000 0.781 75 E HN 0.541 nan 8.360 nan 0.000 0.466 76 C N -0.403 118.836 119.300 -0.102 0.000 3.241 76 C HA 0.535 5.002 4.460 0.011 0.000 0.312 76 C C -0.192 174.791 174.990 -0.011 0.000 1.350 76 C CA -1.570 57.415 59.018 -0.055 0.000 1.415 76 C CB 1.139 28.867 27.740 -0.020 0.000 1.770 76 C HN 0.114 nan 8.230 nan 0.000 0.466 77 D N 0.509 120.922 120.400 0.021 0.000 2.472 77 D HA 0.283 4.929 4.640 0.011 0.000 0.237 77 D C -0.303 176.070 176.300 0.122 0.000 1.141 77 D CA 0.345 54.399 54.000 0.090 0.000 0.875 77 D CB 0.494 41.338 40.800 0.073 0.000 1.192 77 D HN 0.594 nan 8.370 nan 0.000 0.450 78 L N 5.605 126.940 121.223 0.187 0.000 2.290 78 L HA 0.234 4.580 4.340 0.011 0.000 0.284 78 L C -1.352 175.573 176.870 0.092 0.000 1.078 78 L CA -1.585 53.344 54.840 0.149 0.000 0.815 78 L CB 1.303 43.466 42.059 0.173 0.000 1.162 78 L HN 0.510 nan 8.230 nan 0.000 0.435 79 P HA -0.159 nan 4.420 nan 0.000 0.219 79 P C 0.696 178.020 177.300 0.039 0.000 1.146 79 P CA 1.166 64.295 63.100 0.048 0.000 0.808 79 P CB 0.271 31.994 31.700 0.038 0.000 0.779 80 E N -0.637 119.581 120.200 0.031 0.000 2.427 80 E HA 0.117 4.474 4.350 0.011 0.000 0.196 80 E C 0.871 177.466 176.600 -0.007 0.000 1.028 80 E CA -0.205 56.198 56.400 0.005 0.000 0.864 80 E CB -0.218 29.470 29.700 -0.020 0.000 0.813 80 E HN 0.186 nan 8.360 nan 0.000 0.514 81 A N 1.651 124.477 122.820 0.011 0.000 2.425 81 A HA 0.073 4.400 4.320 0.011 0.000 0.242 81 A C -0.035 177.591 177.584 0.070 0.000 1.077 81 A CA -0.093 51.950 52.037 0.011 0.000 0.781 81 A CB 0.397 19.433 19.000 0.061 0.000 1.020 81 A HN -0.044 nan 8.150 nan 0.000 0.494 82 D N -0.195 120.275 120.400 0.117 0.000 2.392 82 D HA 0.495 5.142 4.640 0.011 0.000 0.246 82 D C -0.713 175.703 176.300 0.193 0.000 1.013 82 D CA -0.009 54.091 54.000 0.167 0.000 0.993 82 D CB 1.523 42.476 40.800 0.255 0.000 1.219 82 D HN 0.398 nan 8.370 nan 0.000 0.538 83 T N 0.654 115.305 114.554 0.161 0.000 2.743 83 T HA 0.472 4.828 4.350 0.011 0.000 0.292 83 T C 0.151 174.942 174.700 0.151 0.000 0.972 83 T CA -0.579 61.622 62.100 0.169 0.000 0.967 83 T CB 0.640 69.582 68.868 0.123 0.000 0.926 83 T HN 0.263 nan 8.240 nan 0.000 0.459 84 V N 1.419 121.456 119.914 0.206 0.000 3.074 84 V HA 0.814 4.940 4.120 0.011 0.000 0.314 84 V C -0.248 175.966 176.094 0.200 0.000 1.117 84 V CA -1.028 61.355 62.300 0.139 0.000 1.014 84 V CB 1.703 33.627 31.823 0.168 0.000 1.057 84 V HN 0.482 nan 8.190 nan 0.000 0.438 85 V N 1.999 122.004 119.914 0.151 0.000 2.546 85 V HA 0.537 4.663 4.120 0.011 0.000 0.284 85 V C 0.007 176.160 176.094 0.098 0.000 1.050 85 V CA -0.088 62.294 62.300 0.135 0.000 0.981 85 V CB 1.351 33.218 31.823 0.073 0.000 0.990 85 V HN 0.755 nan 8.190 nan 0.000 0.474 86 V N 6.869 126.759 119.914 -0.039 0.000 2.656 86 V HA 0.463 4.589 4.120 0.011 0.000 0.307 86 V C -2.241 173.715 176.094 -0.230 0.000 1.051 86 V CA -1.719 60.403 62.300 -0.296 0.000 0.893 86 V CB 2.514 33.747 31.823 -0.983 0.000 0.999 86 V HN 0.762 nan 8.190 nan 0.000 0.426 87 P HA 0.342 nan 4.420 nan 0.000 0.272 87 P C -0.679 176.530 177.300 -0.152 0.000 1.223 87 P CA 0.107 63.062 63.100 -0.241 0.000 0.784 87 P CB 1.371 32.943 31.700 -0.212 0.000 0.923 88 S N 0.263 115.885 115.700 -0.130 0.000 2.633 88 S HA 0.334 4.810 4.470 0.011 0.000 0.271 88 S C -1.381 173.134 174.600 -0.142 0.000 1.112 88 S CA -1.063 57.051 58.200 -0.144 0.000 0.828 88 S CB 0.147 63.237 63.200 -0.185 0.000 1.086 88 S HN 0.409 nan 8.310 nan 0.000 0.461 89 N N 1.010 119.568 118.700 -0.237 0.000 2.421 89 N HA 0.474 5.220 4.740 0.011 0.000 0.285 89 N C 0.510 175.839 175.510 -0.302 0.000 1.027 89 N CA -0.775 52.108 53.050 -0.279 0.000 0.918 89 N CB 0.674 38.971 38.487 -0.316 0.000 1.152 89 N HN 0.859 nan 8.380 nan 0.000 0.485 90 W N 2.038 123.200 121.300 -0.230 0.000 2.525 90 W HA -0.001 4.666 4.660 0.011 0.000 0.259 90 W C 0.897 177.388 176.519 -0.047 0.000 1.253 90 W CA 0.440 57.650 57.345 -0.224 0.000 1.262 90 W CB -0.317 29.013 29.460 -0.218 0.000 1.122 90 W HN 0.504 nan 8.180 nan 0.000 0.607 91 Q N 0.549 120.326 119.800 -0.039 0.000 2.167 91 Q HA -0.085 4.261 4.340 0.011 0.000 0.202 91 Q C 2.140 178.086 176.000 -0.089 0.000 0.970 91 Q CA 1.595 57.377 55.803 -0.035 0.000 0.855 91 Q CB -0.546 28.059 28.738 -0.222 0.000 0.911 91 Q HN 0.240 nan 8.270 nan 0.000 0.438 92 M N -0.687 118.817 119.600 -0.159 0.000 2.630 92 M HA -0.052 4.434 4.480 0.011 0.000 0.254 92 M C 0.570 176.916 176.300 0.077 0.000 1.092 92 M CA 1.366 56.601 55.300 -0.109 0.000 1.087 92 M CB -0.593 31.918 32.600 -0.148 0.000 1.453 92 M HN 0.376 nan 8.290 nan 0.000 0.509 93 H N -1.069 118.014 119.070 0.022 0.000 2.652 93 H HA 0.306 4.868 4.556 0.011 0.000 0.274 93 H C 1.221 176.436 175.328 -0.190 0.000 1.021 93 H CA 0.086 56.123 56.048 -0.019 0.000 1.187 93 H CB 0.525 30.358 29.762 0.118 0.000 1.505 93 H HN 0.530 nan 8.280 nan 0.000 0.530 94 G N 0.724 109.519 108.800 -0.008 0.000 2.143 94 G HA2 -0.366 3.600 3.960 0.011 0.000 0.249 94 G HA3 -0.366 3.600 3.960 0.011 0.000 0.249 94 G C 0.323 175.079 174.900 -0.239 0.000 0.981 94 G CA 0.367 45.396 45.100 -0.117 0.000 0.665 94 G HN 0.448 nan 8.290 nan 0.000 0.528 95 Y N 1.491 121.793 120.300 0.004 0.000 2.293 95 Y HA 0.245 4.802 4.550 0.011 0.000 0.291 95 Y C 1.706 177.325 175.900 -0.469 0.000 1.137 95 Y CA 1.677 59.640 58.100 -0.228 0.000 1.202 95 Y CB 0.195 38.589 38.460 -0.111 0.000 0.990 95 Y HN 0.677 nan 8.280 nan 0.000 0.537 96 D N -2.140 118.280 120.400 0.034 0.000 2.692 96 D HA 0.510 5.156 4.640 0.011 0.000 0.303 96 D C -1.212 175.159 176.300 0.119 0.000 1.278 96 D CA -0.882 53.143 54.000 0.042 0.000 0.852 96 D CB 0.738 41.704 40.800 0.275 0.000 1.375 96 D HN -0.062 nan 8.370 nan 0.000 0.453 97 A N 0.049 122.954 122.820 0.142 0.000 2.309 97 A HA 0.683 5.010 4.320 0.011 0.000 0.298 97 A C -2.327 175.297 177.584 0.066 0.000 1.165 97 A CA -1.261 50.846 52.037 0.116 0.000 0.821 97 A CB 0.237 19.362 19.000 0.209 0.000 1.102 97 A HN 0.531 nan 8.150 nan 0.000 0.500 98 P HA 0.388 nan 4.420 nan 0.000 0.279 98 P C -0.874 176.595 177.300 0.283 0.000 1.239 98 P CA 0.125 63.181 63.100 -0.074 0.000 0.789 98 P CB 0.891 32.280 31.700 -0.519 0.000 0.933 99 I N 3.218 124.024 120.570 0.393 0.000 2.441 99 I HA 0.271 4.447 4.170 0.011 0.000 0.295 99 I C -0.366 175.914 176.117 0.271 0.000 0.994 99 I CA -1.004 60.521 61.300 0.375 0.000 1.144 99 I CB 1.441 39.606 38.000 0.276 0.000 1.314 99 I HN 0.319 nan 8.210 nan 0.000 0.445 100 Y N 5.741 125.963 120.300 -0.130 0.000 2.402 100 Y HA 0.514 5.070 4.550 0.010 0.000 0.332 100 Y C -0.384 175.357 175.900 -0.265 0.000 0.960 100 Y CA -0.490 57.265 58.100 -0.576 0.000 1.228 100 Y CB 1.314 38.944 38.460 -1.385 0.000 1.120 100 Y HN 0.543 nan 8.280 nan 0.000 0.491 101 T N 5.407 119.375 114.554 -0.977 0.000 2.912 101 T HA 0.255 4.612 4.350 0.011 0.000 0.299 101 T C 0.077 174.288 174.700 -0.815 0.000 1.052 101 T CA -0.595 61.039 62.100 -0.777 0.000 0.996 101 T CB 1.128 69.786 68.868 -0.349 0.000 1.070 101 T HN 0.770 nan 8.240 nan 0.000 0.465 102 N N 2.719 121.025 118.700 -0.656 0.000 2.220 102 N HA 0.037 4.783 4.740 0.011 0.000 0.193 102 N C 1.604 176.870 175.510 -0.405 0.000 1.052 102 N CA 1.634 54.426 53.050 -0.430 0.000 0.898 102 N CB -0.614 37.674 38.487 -0.331 0.000 1.080 102 N HN 0.403 nan 8.380 nan 0.000 0.467 103 V N 0.372 119.987 119.914 -0.498 0.000 2.436 103 V HA 0.086 4.213 4.120 0.011 0.000 0.240 103 V C 0.456 176.249 176.094 -0.501 0.000 1.040 103 V CA 0.918 62.830 62.300 -0.647 0.000 1.052 103 V CB -0.838 30.488 31.823 -0.830 0.000 0.707 103 V HN 0.325 nan 8.190 nan 0.000 0.469 104 T N 1.186 115.519 114.554 -0.369 0.000 2.871 104 T HA 0.107 4.463 4.350 0.011 0.000 0.296 104 T C -0.331 174.238 174.700 -0.219 0.000 0.998 104 T CA 0.250 62.205 62.100 -0.242 0.000 1.162 104 T CB -0.299 68.470 68.868 -0.165 0.000 0.947 104 T HN 0.164 nan 8.240 nan 0.000 0.536 105 Y N 5.066 125.277 120.300 -0.147 0.000 2.683 105 Y HA 0.085 4.641 4.550 0.010 0.000 0.340 105 Y C -0.649 175.130 175.900 -0.201 0.000 1.245 105 Y CA -1.433 56.569 58.100 -0.163 0.000 1.485 105 Y CB 0.346 38.711 38.460 -0.158 0.000 1.328 105 Y HN 0.508 nan 8.280 nan 0.000 0.603 106 P HA -0.014 nan 4.420 nan 0.000 0.237 106 P C -0.274 176.809 177.300 -0.361 0.000 1.178 106 P CA 1.163 64.155 63.100 -0.179 0.000 0.766 106 P CB 0.120 31.754 31.700 -0.109 0.000 0.876 107 I N -5.125 115.209 120.570 -0.394 0.000 3.042 107 I HA 0.473 4.650 4.170 0.011 0.000 0.310 107 I C -0.689 175.305 176.117 -0.205 0.000 1.117 107 I CA -1.234 59.812 61.300 -0.423 0.000 1.003 107 I CB 1.852 39.434 38.000 -0.698 0.000 1.228 107 I HN -0.463 nan 8.210 nan 0.000 0.443 108 T N 3.087 117.563 114.554 -0.130 0.000 2.908 108 T HA 0.125 4.482 4.350 0.011 0.000 0.301 108 T C 0.274 174.969 174.700 -0.008 0.000 1.019 108 T CA -0.197 61.879 62.100 -0.041 0.000 1.152 108 T CB 0.376 69.239 68.868 -0.008 0.000 0.966 108 T HN 0.378 nan 8.240 nan 0.000 0.540 109 V N 5.003 124.928 119.914 0.017 0.000 2.390 109 V HA 0.189 4.316 4.120 0.011 0.000 0.260 109 V C 0.749 176.888 176.094 0.075 0.000 1.043 109 V CA -0.106 62.225 62.300 0.051 0.000 1.047 109 V CB -0.418 31.424 31.823 0.032 0.000 1.066 109 V HN 0.901 nan 8.190 nan 0.000 0.481 110 N N 5.912 124.706 118.700 0.156 0.000 2.732 110 N HA 0.223 4.969 4.740 0.011 0.000 0.230 110 N C -2.799 172.790 175.510 0.132 0.000 1.487 110 N CA -1.039 52.095 53.050 0.141 0.000 0.765 110 N CB 1.458 40.059 38.487 0.189 0.000 1.384 110 N HN 0.322 nan 8.380 nan 0.000 0.530 111 P HA 0.187 nan 4.420 nan 0.000 0.266 111 P C -2.196 174.937 177.300 -0.278 0.000 1.195 111 P CA -0.609 62.122 63.100 -0.614 0.000 0.768 111 P CB 0.829 32.001 31.700 -0.881 0.000 0.838 112 P HA 0.222 nan 4.420 nan 0.000 0.259 112 P C -0.413 176.829 177.300 -0.096 0.000 1.530 112 P CA -0.326 62.630 63.100 -0.240 0.000 1.022 112 P CB -0.009 31.527 31.700 -0.273 0.000 1.514 113 F N 1.296 121.370 119.950 0.206 0.000 2.410 113 F HA 0.267 4.800 4.527 0.011 0.000 0.334 113 F C 1.357 177.322 175.800 0.275 0.000 1.134 113 F CA -0.585 57.538 58.000 0.204 0.000 1.227 113 F CB 0.603 39.670 39.000 0.110 0.000 1.194 113 F HN -0.187 nan 8.300 nan 0.000 0.571 114 V N -0.763 119.415 119.914 0.439 0.000 3.126 114 V HA 0.711 4.837 4.120 0.011 0.000 0.314 114 V C -2.794 173.455 176.094 0.257 0.000 1.138 114 V CA -3.004 59.473 62.300 0.294 0.000 1.034 114 V CB 1.392 33.450 31.823 0.392 0.000 1.075 114 V HN 0.491 nan 8.190 nan 0.000 0.442 115 P HA 0.174 nan 4.420 nan 0.000 0.266 115 P C 1.117 178.553 177.300 0.226 0.000 1.195 115 P CA 0.612 63.803 63.100 0.152 0.000 0.768 115 P CB 0.606 32.368 31.700 0.104 0.000 0.838 116 T N -1.163 113.496 114.554 0.175 0.000 2.867 116 T HA -0.120 4.236 4.350 0.011 0.000 0.268 116 T C 0.497 175.300 174.700 0.172 0.000 1.057 116 T CA 0.938 63.144 62.100 0.177 0.000 1.136 116 T CB -0.521 68.418 68.868 0.118 0.000 0.874 116 T HN 0.404 nan 8.240 nan 0.000 0.466 117 E N 2.545 122.847 120.200 0.171 0.000 1.893 117 E HA 0.235 4.591 4.350 0.011 0.000 0.269 117 E C -0.716 176.031 176.600 0.245 0.000 1.129 117 E CA -0.402 56.102 56.400 0.173 0.000 0.904 117 E CB 0.139 29.946 29.700 0.179 0.000 1.077 117 E HN 0.224 nan 8.360 nan 0.000 0.407 118 N N 4.169 122.982 118.700 0.189 0.000 2.626 118 N HA 0.220 4.966 4.740 0.011 0.000 0.242 118 N C -2.785 172.741 175.510 0.027 0.000 1.005 118 N CA -2.482 50.700 53.050 0.220 0.000 0.905 118 N CB 1.046 39.636 38.487 0.170 0.000 1.128 118 N HN 0.053 nan 8.380 nan 0.000 0.512 119 P HA -0.020 nan 4.420 nan 0.000 0.258 119 P C -0.867 176.329 177.300 -0.173 0.000 1.172 119 P CA 0.648 63.693 63.100 -0.092 0.000 0.762 119 P CB 0.394 32.321 31.700 0.378 0.000 0.764 120 T N 3.076 117.292 114.554 -0.563 0.000 2.792 120 T HA 0.545 4.902 4.350 0.011 0.000 0.280 120 T C 0.331 174.566 174.700 -0.776 0.000 0.990 120 T CA -0.557 61.270 62.100 -0.454 0.000 0.960 120 T CB 1.471 70.102 68.868 -0.395 0.000 0.939 120 T HN 0.312 nan 8.240 nan 0.000 0.439 121 G N 1.225 109.639 108.800 -0.644 0.000 2.415 121 G HA2 0.458 4.425 3.960 0.011 0.000 0.317 121 G HA3 0.458 4.425 3.960 0.011 0.000 0.317 121 G C -0.166 174.536 174.900 -0.331 0.000 1.152 121 G CA -0.376 44.245 45.100 -0.800 0.000 0.956 121 G HN 0.871 nan 8.290 nan 0.000 0.458 122 C N 3.489 122.364 119.300 -0.708 0.000 2.200 122 C HA 0.423 4.889 4.460 0.011 0.000 0.328 122 C C -0.360 174.610 174.990 -0.033 0.000 1.148 122 C CA -0.931 57.793 59.018 -0.489 0.000 1.624 122 C CB -1.919 25.086 27.740 -1.225 0.000 2.167 122 C HN 0.619 nan 8.230 nan 0.000 0.484 123 Y N 1.947 122.545 120.300 0.498 0.000 2.387 123 Y HA 0.612 5.169 4.550 0.011 0.000 0.330 123 Y C 0.833 177.194 175.900 0.767 0.000 1.133 123 Y CA -0.150 58.352 58.100 0.671 0.000 1.152 123 Y CB 1.358 40.208 38.460 0.650 0.000 1.215 123 Y HN 0.663 nan 8.280 nan 0.000 0.466 124 S N 2.204 118.392 115.700 0.813 0.000 2.556 124 S HA 0.803 5.280 4.470 0.011 0.000 0.271 124 S C -1.946 172.764 174.600 0.183 0.000 1.135 124 S CA -0.797 57.670 58.200 0.446 0.000 0.858 124 S CB 2.103 65.481 63.200 0.297 0.000 1.114 124 S HN 0.599 nan 8.310 nan 0.000 0.468 125 L N 1.038 122.194 121.223 -0.112 0.000 2.526 125 L HA 0.699 5.046 4.340 0.011 0.000 0.263 125 L C -1.116 175.711 176.870 -0.071 0.000 0.943 125 L CA 0.116 54.730 54.840 -0.378 0.000 0.859 125 L CB 2.279 43.590 42.059 -1.247 0.000 1.313 125 L HN 0.919 nan 8.230 nan 0.000 0.406 126 T N 5.676 120.215 114.554 -0.026 0.000 2.749 126 T HA 0.710 5.067 4.350 0.011 0.000 0.287 126 T C -0.757 174.002 174.700 0.098 0.000 0.970 126 T CA -0.021 62.103 62.100 0.040 0.000 0.980 126 T CB 0.182 69.039 68.868 -0.019 0.000 0.924 126 T HN 0.418 nan 8.240 nan 0.000 0.456 127 F N 1.005 120.858 119.950 -0.161 0.000 2.650 127 F HA 0.775 5.309 4.527 0.011 0.000 0.320 127 F C -0.729 174.993 175.800 -0.129 0.000 1.091 127 F CA -1.993 55.912 58.000 -0.158 0.000 0.962 127 F CB 1.028 39.911 39.000 -0.194 0.000 1.363 127 F HN 0.328 nan 8.300 nan 0.000 0.482 128 N N 0.053 118.671 118.700 -0.137 0.000 2.473 128 N HA 0.632 5.378 4.740 0.011 0.000 0.291 128 N C -1.945 173.416 175.510 -0.249 0.000 1.083 128 N CA -0.425 52.488 53.050 -0.230 0.000 0.951 128 N CB 1.734 40.139 38.487 -0.136 0.000 1.164 128 N HN 0.621 nan 8.380 nan 0.000 0.480 129 V N 2.795 122.532 119.914 -0.295 0.000 2.443 129 V HA 0.271 4.397 4.120 0.011 0.000 0.293 129 V C -0.738 175.222 176.094 -0.222 0.000 1.021 129 V CA -1.011 61.119 62.300 -0.283 0.000 0.848 129 V CB 1.470 33.180 31.823 -0.187 0.000 0.998 129 V HN 0.713 nan 8.190 nan 0.000 0.424 130 D N 3.051 123.271 120.400 -0.300 0.000 2.414 130 D HA 0.039 4.685 4.640 0.011 0.000 0.242 130 D C 1.086 177.390 176.300 0.007 0.000 1.129 130 D CA 0.027 53.945 54.000 -0.136 0.000 0.885 130 D CB 1.768 42.494 40.800 -0.124 0.000 1.198 130 D HN 0.734 nan 8.370 nan 0.000 0.437 131 E N 1.537 121.751 120.200 0.024 0.000 2.130 131 E HA -0.244 4.112 4.350 0.011 0.000 0.196 131 E C 1.714 178.383 176.600 0.115 0.000 0.998 131 E CA 1.982 58.417 56.400 0.058 0.000 0.806 131 E CB -0.053 29.667 29.700 0.033 0.000 0.738 131 E HN 0.449 nan 8.360 nan 0.000 0.459 132 S N -0.818 114.962 115.700 0.134 0.000 2.387 132 S HA -0.202 4.274 4.470 0.011 0.000 0.230 132 S C 1.801 176.505 174.600 0.172 0.000 1.035 132 S CA 1.185 59.468 58.200 0.138 0.000 1.014 132 S CB -0.979 62.303 63.200 0.136 0.000 0.836 132 S HN 0.456 nan 8.310 nan 0.000 0.466 133 W N 1.660 122.924 121.300 -0.060 0.000 2.425 133 W HA 0.315 4.981 4.660 0.011 0.000 0.277 133 W C 1.892 178.513 176.519 0.170 0.000 1.231 133 W CA 0.075 57.414 57.345 -0.010 0.000 1.248 133 W CB -0.474 29.037 29.460 0.085 0.000 1.117 133 W HN 0.310 nan 8.180 nan 0.000 0.568 134 L N -0.131 121.280 121.223 0.312 0.000 2.585 134 L HA 0.044 4.390 4.340 0.011 0.000 0.226 134 L C 2.113 179.073 176.870 0.149 0.000 1.113 134 L CA 0.265 55.236 54.840 0.217 0.000 0.876 134 L CB -0.449 41.703 42.059 0.157 0.000 1.072 134 L HN -0.124 nan 8.230 nan 0.000 0.468 135 Q N 1.115 120.994 119.800 0.132 0.000 2.311 135 Q HA 0.012 4.358 4.340 0.011 0.000 0.203 135 Q C 0.306 176.358 176.000 0.085 0.000 0.954 135 Q CA 0.637 56.491 55.803 0.086 0.000 0.885 135 Q CB 0.395 29.171 28.738 0.063 0.000 0.963 135 Q HN 0.691 nan 8.270 nan 0.000 0.471 136 E N -2.275 118.002 120.200 0.127 0.000 2.439 136 E HA 0.500 4.856 4.350 0.011 0.000 0.279 136 E C -0.077 176.639 176.600 0.192 0.000 1.077 136 E CA -0.494 55.978 56.400 0.119 0.000 0.849 136 E CB 0.895 30.647 29.700 0.085 0.000 1.408 136 E HN 0.022 nan 8.360 nan 0.000 0.457 137 G N 0.590 109.435 108.800 0.076 0.000 2.641 137 G HA2 -0.301 3.666 3.960 0.011 0.000 0.254 137 G HA3 -0.301 3.666 3.960 0.011 0.000 0.254 137 G C -0.638 174.146 174.900 -0.194 0.000 1.315 137 G CA 0.334 45.376 45.100 -0.096 0.000 0.907 137 G HN 0.768 nan 8.290 nan 0.000 0.572 138 Q N -0.610 118.936 119.800 -0.424 0.000 2.340 138 Q HA 0.628 4.975 4.340 0.011 0.000 0.268 138 Q C -1.022 174.792 176.000 -0.310 0.000 1.031 138 Q CA -0.468 55.186 55.803 -0.248 0.000 0.804 138 Q CB 1.562 30.208 28.738 -0.153 0.000 1.286 138 Q HN 0.593 nan 8.270 nan 0.000 0.448 139 T N 4.965 119.501 114.554 -0.029 0.000 2.772 139 T HA 0.462 4.818 4.350 0.011 0.000 0.288 139 T C -0.660 174.142 174.700 0.170 0.000 0.994 139 T CA -0.625 61.563 62.100 0.147 0.000 0.951 139 T CB 0.474 69.570 68.868 0.380 0.000 0.933 139 T HN 0.636 nan 8.240 nan 0.000 0.447 140 R N 3.041 123.634 120.500 0.156 0.000 2.854 140 R HA 0.784 5.130 4.340 0.011 0.000 0.271 140 R C -1.104 175.293 176.300 0.162 0.000 0.996 140 R CA -0.985 55.207 56.100 0.153 0.000 0.961 140 R CB 1.572 31.938 30.300 0.109 0.000 1.182 140 R HN 0.559 nan 8.270 nan 0.000 0.479 141 I N 2.662 123.329 120.570 0.162 0.000 2.493 141 I HA 0.456 4.633 4.170 0.011 0.000 0.298 141 I C -1.126 175.035 176.117 0.073 0.000 0.998 141 I CA -1.374 59.974 61.300 0.080 0.000 1.137 141 I CB 1.451 39.499 38.000 0.080 0.000 1.310 141 I HN 0.645 nan 8.210 nan 0.000 0.445 142 I N 7.138 127.654 120.570 -0.090 0.000 2.447 142 I HA 0.289 4.466 4.170 0.011 0.000 0.287 142 I C -1.311 174.663 176.117 -0.239 0.000 1.023 142 I CA -0.404 60.858 61.300 -0.064 0.000 1.083 142 I CB 1.565 39.541 38.000 -0.040 0.000 1.245 142 I HN 0.382 nan 8.210 nan 0.000 0.434 143 F N 4.519 124.453 119.950 -0.027 0.000 2.332 143 F HA 0.274 4.808 4.527 0.010 0.000 0.368 143 F C 1.317 177.004 175.800 -0.189 0.000 1.110 143 F CA -0.477 57.440 58.000 -0.139 0.000 1.087 143 F CB 0.748 39.623 39.000 -0.208 0.000 1.235 143 F HN 0.452 nan 8.300 nan 0.000 0.470 144 D N 2.345 122.660 120.400 -0.141 0.000 2.264 144 D HA 0.039 4.685 4.640 0.011 0.000 0.208 144 D C 1.015 177.146 176.300 -0.282 0.000 0.966 144 D CA 0.931 54.803 54.000 -0.215 0.000 0.864 144 D CB 0.376 40.991 40.800 -0.309 0.000 0.933 144 D HN 0.629 nan 8.370 nan 0.000 0.499 145 G N -0.361 108.219 108.800 -0.366 0.000 2.505 145 G HA2 0.430 4.396 3.960 0.011 0.000 0.292 145 G HA3 0.430 4.396 3.960 0.011 0.000 0.292 145 G C -1.454 173.227 174.900 -0.365 0.000 1.332 145 G CA -0.418 44.369 45.100 -0.521 0.000 1.286 145 G HN -0.055 nan 8.290 nan 0.000 0.606 146 V N 2.775 122.640 119.914 -0.081 0.000 2.525 146 V HA 0.510 4.637 4.120 0.011 0.000 0.299 146 V C -0.762 175.399 176.094 0.111 0.000 1.034 146 V CA -1.192 61.049 62.300 -0.099 0.000 0.863 146 V CB 1.891 33.346 31.823 -0.612 0.000 0.999 146 V HN 0.684 nan 8.190 nan 0.000 0.423 147 N N 2.520 121.276 118.700 0.094 0.000 2.444 147 N HA 0.315 5.062 4.740 0.011 0.000 0.262 147 N C 0.624 176.066 175.510 -0.114 0.000 0.974 147 N CA 0.125 53.136 53.050 -0.065 0.000 0.933 147 N CB 2.147 40.418 38.487 -0.361 0.000 1.137 147 N HN 0.703 nan 8.380 nan 0.000 0.498 148 S N 1.721 117.397 115.700 -0.040 0.000 2.578 148 S HA 0.573 5.050 4.470 0.011 0.000 0.228 148 S C 0.267 174.936 174.600 0.114 0.000 1.022 148 S CA -0.108 58.114 58.200 0.037 0.000 0.967 148 S CB 0.390 63.621 63.200 0.053 0.000 0.914 148 S HN 0.642 nan 8.310 nan 0.000 0.515 149 A N 0.972 123.882 122.820 0.150 0.000 2.612 149 A HA 0.766 5.092 4.320 0.011 0.000 0.293 149 A C -1.411 176.327 177.584 0.256 0.000 1.075 149 A CA -0.902 51.215 52.037 0.133 0.000 0.680 149 A CB 0.946 20.052 19.000 0.176 0.000 1.279 149 A HN 1.090 nan 8.150 nan 0.000 0.411 150 F N -0.480 119.352 119.950 -0.196 0.000 2.703 150 F HA 0.736 5.269 4.527 0.010 0.000 0.308 150 F C -1.261 174.493 175.800 -0.077 0.000 1.126 150 F CA -0.781 57.182 58.000 -0.060 0.000 0.959 150 F CB 0.946 39.880 39.000 -0.110 0.000 1.297 150 F HN 0.633 nan 8.300 nan 0.000 0.441 151 H N 2.003 121.190 119.070 0.195 0.000 2.499 151 H HA 0.748 5.311 4.556 0.011 0.000 0.340 151 H C -1.410 173.800 175.328 -0.197 0.000 1.148 151 H CA -0.704 55.313 56.048 -0.051 0.000 1.215 151 H CB 2.475 32.226 29.762 -0.019 0.000 1.529 151 H HN 0.809 nan 8.280 nan 0.000 0.510 152 L N 2.800 123.713 121.223 -0.516 0.000 2.386 152 L HA 0.411 4.757 4.340 0.011 0.000 0.271 152 L C -1.667 174.848 176.870 -0.592 0.000 0.993 152 L CA -0.521 54.081 54.840 -0.396 0.000 0.819 152 L CB 1.470 43.182 42.059 -0.578 0.000 1.294 152 L HN 0.500 nan 8.230 nan 0.000 0.414 153 W N 4.416 125.660 121.300 -0.093 0.000 2.819 153 W HA 0.566 5.233 4.660 0.011 0.000 0.337 153 W C -1.184 175.273 176.519 -0.104 0.000 1.077 153 W CA -0.774 56.512 57.345 -0.099 0.000 1.226 153 W CB 2.064 31.498 29.460 -0.044 0.000 1.419 153 W HN 0.580 nan 8.180 nan 0.000 0.502 154 C N 5.129 124.502 119.300 0.122 0.000 2.364 154 C HA 0.297 4.763 4.460 0.011 0.000 0.324 154 C C 0.338 175.453 174.990 0.208 0.000 1.234 154 C CA -0.318 58.776 59.018 0.126 0.000 1.417 154 C CB -0.600 27.149 27.740 0.016 0.000 2.101 154 C HN 0.794 nan 8.230 nan 0.000 0.466 155 N N 3.641 122.422 118.700 0.136 0.000 2.727 155 N HA -0.194 4.552 4.740 0.011 0.000 0.249 155 N C 0.989 176.561 175.510 0.103 0.000 1.048 155 N CA 1.953 55.058 53.050 0.091 0.000 0.714 155 N CB -1.264 37.282 38.487 0.098 0.000 0.959 155 N HN 1.751 nan 8.380 nan 0.000 0.544 156 G N -1.251 107.603 108.800 0.090 0.000 2.205 156 G HA2 -0.366 3.600 3.960 0.011 0.000 0.261 156 G HA3 -0.366 3.600 3.960 0.011 0.000 0.261 156 G C 0.153 175.208 174.900 0.258 0.000 0.980 156 G CA 0.622 45.770 45.100 0.080 0.000 0.632 156 G HN 0.556 nan 8.290 nan 0.000 0.533 157 R N -0.939 119.786 120.500 0.376 0.000 2.407 157 R HA 0.444 4.790 4.340 0.011 0.000 0.303 157 R C -0.218 176.421 176.300 0.566 0.000 0.981 157 R CA -0.872 55.529 56.100 0.503 0.000 0.905 157 R CB 1.031 31.640 30.300 0.514 0.000 1.099 157 R HN 0.208 nan 8.270 nan 0.000 0.459 158 W N 3.632 125.136 121.300 0.341 0.000 2.308 158 W HA 0.070 4.737 4.660 0.010 0.000 0.324 158 W C 0.090 176.537 176.519 -0.120 0.000 1.387 158 W CA 0.032 57.284 57.345 -0.155 0.000 1.250 158 W CB 0.631 29.998 29.460 -0.154 0.000 1.257 158 W HN 0.342 nan 8.180 nan 0.000 0.554 159 V N 5.408 124.601 119.914 -1.202 0.000 2.599 159 V HA 0.533 4.660 4.120 0.011 0.000 0.237 159 V C 1.083 176.193 176.094 -1.641 0.000 1.081 159 V CA 1.150 62.699 62.300 -1.252 0.000 1.107 159 V CB -0.553 30.562 31.823 -1.180 0.000 0.808 159 V HN 0.781 nan 8.190 nan 0.000 0.486 160 G N -1.953 105.665 108.800 -1.971 0.000 2.494 160 G HA2 0.494 4.460 3.960 0.011 0.000 0.308 160 G HA3 0.494 4.460 3.960 0.011 0.000 0.308 160 G C -2.405 172.028 174.900 -0.778 0.000 1.263 160 G CA -0.254 43.975 45.100 -1.451 0.000 0.840 160 G HN 0.036 nan 8.290 nan 0.000 0.479 161 Y N -0.539 119.497 120.300 -0.440 0.000 2.562 161 Y HA 0.700 5.257 4.550 0.011 0.000 0.345 161 Y C -0.128 175.551 175.900 -0.368 0.000 1.045 161 Y CA -0.151 57.658 58.100 -0.485 0.000 1.028 161 Y CB 2.235 40.556 38.460 -0.232 0.000 1.297 161 Y HN 1.197 nan 8.280 nan 0.000 0.463 162 G N 3.757 111.710 108.800 -1.412 0.000 2.718 162 G HA2 0.578 4.545 3.960 0.011 0.000 0.295 162 G HA3 0.578 4.545 3.960 0.011 0.000 0.295 162 G C -2.121 172.340 174.900 -0.732 0.000 1.421 162 G CA -0.850 43.733 45.100 -0.861 0.000 0.902 162 G HN 0.630 nan 8.290 nan 0.000 0.501 163 Q N -0.293 119.314 119.800 -0.321 0.000 2.668 163 Q HA 0.594 4.940 4.340 0.011 0.000 0.298 163 Q C -1.351 174.655 176.000 0.011 0.000 1.071 163 Q CA -0.856 54.881 55.803 -0.111 0.000 0.789 163 Q CB 2.585 31.295 28.738 -0.046 0.000 1.497 163 Q HN 0.646 nan 8.270 nan 0.000 0.460 164 D N -0.180 120.260 120.400 0.067 0.000 4.535 164 D HA -0.095 4.551 4.640 0.011 0.000 0.236 164 D C -0.456 175.906 176.300 0.103 0.000 1.142 164 D CA 0.509 54.561 54.000 0.087 0.000 1.102 164 D CB -0.553 40.282 40.800 0.058 0.000 0.703 164 D HN 0.548 nan 8.370 nan 0.000 0.331 165 S N 3.235 119.007 115.700 0.120 0.000 2.507 165 S HA -0.083 4.394 4.470 0.011 0.000 0.235 165 S C 1.553 176.291 174.600 0.230 0.000 0.988 165 S CA 0.573 58.872 58.200 0.165 0.000 0.944 165 S CB 0.249 63.498 63.200 0.083 0.000 0.762 165 S HN 0.460 nan 8.310 nan 0.000 0.526 166 R N 0.284 120.874 120.500 0.149 0.000 2.509 166 R HA 0.435 4.781 4.340 0.011 0.000 0.300 166 R C -0.351 176.001 176.300 0.087 0.000 0.985 166 R CA 0.057 56.240 56.100 0.138 0.000 1.092 166 R CB 0.032 30.423 30.300 0.153 0.000 1.237 166 R HN 0.337 nan 8.270 nan 0.000 0.546 167 L N 1.794 123.043 121.223 0.043 0.000 2.371 167 L HA 0.492 4.839 4.340 0.011 0.000 0.262 167 L C -2.353 174.492 176.870 -0.041 0.000 1.006 167 L CA -2.259 52.579 54.840 -0.004 0.000 0.818 167 L CB 3.126 45.180 42.059 -0.008 0.000 1.354 167 L HN -0.199 nan 8.230 nan 0.000 0.415 168 P HA 0.085 nan 4.420 nan 0.000 0.271 168 P C -0.925 176.332 177.300 -0.072 0.000 1.216 168 P CA -0.170 62.880 63.100 -0.084 0.000 0.776 168 P CB 1.241 32.861 31.700 -0.135 0.000 0.881 169 S N 1.905 117.614 115.700 0.015 0.000 2.478 169 S HA 0.331 4.808 4.470 0.011 0.000 0.312 169 S C -0.443 174.084 174.600 -0.121 0.000 1.094 169 S CA -0.560 57.607 58.200 -0.055 0.000 1.081 169 S CB 1.006 64.336 63.200 0.217 0.000 1.007 169 S HN 0.389 nan 8.310 nan 0.000 0.475 170 E N 1.802 121.737 120.200 -0.441 0.000 2.238 170 E HA 0.583 4.939 4.350 0.011 0.000 0.267 170 E C -1.481 174.710 176.600 -0.682 0.000 0.887 170 E CA -0.559 55.647 56.400 -0.323 0.000 0.769 170 E CB 1.676 31.311 29.700 -0.107 0.000 1.187 170 E HN 0.405 nan 8.360 nan 0.000 0.416 171 F N 0.655 120.659 119.950 0.090 0.000 2.565 171 F HA 0.211 4.745 4.527 0.011 0.000 0.313 171 F C -0.019 175.802 175.800 0.034 0.000 1.091 171 F CA -1.079 56.934 58.000 0.022 0.000 0.915 171 F CB 1.556 40.532 39.000 -0.039 0.000 1.208 171 F HN 0.271 nan 8.300 nan 0.000 0.453 172 D N 2.991 123.512 120.400 0.203 0.000 2.325 172 D HA 0.241 4.888 4.640 0.011 0.000 0.251 172 D C 0.324 176.749 176.300 0.209 0.000 1.196 172 D CA 0.278 54.382 54.000 0.173 0.000 0.866 172 D CB 0.993 41.882 40.800 0.148 0.000 1.101 172 D HN 0.581 nan 8.370 nan 0.000 0.476 173 L N 2.660 124.013 121.223 0.216 0.000 2.693 173 L HA 0.040 4.387 4.340 0.011 0.000 0.235 173 L C 2.193 179.275 176.870 0.355 0.000 1.127 173 L CA -0.218 54.785 54.840 0.271 0.000 0.914 173 L CB 0.084 42.272 42.059 0.214 0.000 1.193 173 L HN 0.249 nan 8.230 nan 0.000 0.502 174 S N 1.498 117.356 115.700 0.264 0.000 2.381 174 S HA -0.294 4.182 4.470 0.011 0.000 0.230 174 S C 2.025 176.735 174.600 0.183 0.000 1.052 174 S CA 1.954 60.274 58.200 0.200 0.000 1.068 174 S CB -0.180 63.096 63.200 0.127 0.000 0.918 174 S HN 0.571 nan 8.310 nan 0.000 0.448 175 A N -0.649 122.281 122.820 0.183 0.000 2.251 175 A HA 0.344 4.671 4.320 0.011 0.000 0.209 175 A C 1.263 178.785 177.584 -0.104 0.000 1.187 175 A CA 0.276 52.313 52.037 0.001 0.000 0.823 175 A CB -0.372 18.550 19.000 -0.130 0.000 0.846 175 A HN 0.474 nan 8.150 nan 0.000 0.486 176 F N -0.610 119.380 119.950 0.066 0.000 2.717 176 F HA 0.360 4.893 4.527 0.011 0.000 0.297 176 F C 0.749 176.582 175.800 0.055 0.000 1.113 176 F CA -0.227 57.811 58.000 0.063 0.000 1.319 176 F CB -0.046 38.997 39.000 0.072 0.000 1.097 176 F HN -0.023 nan 8.300 nan 0.000 0.595 177 L N 1.051 122.420 121.223 0.244 0.000 2.468 177 L HA 0.518 4.864 4.340 0.011 0.000 0.254 177 L C 0.116 177.024 176.870 0.063 0.000 1.171 177 L CA -0.710 54.209 54.840 0.132 0.000 0.809 177 L CB 0.893 43.040 42.059 0.146 0.000 1.155 177 L HN 0.042 nan 8.230 nan 0.000 0.473 178 R N 0.427 120.928 120.500 0.000 0.000 2.707 178 R HA 0.754 5.101 4.340 0.011 0.000 0.272 178 R C -1.231 175.041 176.300 -0.047 0.000 1.011 178 R CA -0.914 55.178 56.100 -0.014 0.000 0.893 178 R CB 1.432 31.717 30.300 -0.025 0.000 1.233 178 R HN 0.556 nan 8.270 nan 0.000 0.464 179 A N 1.468 124.271 122.820 -0.029 0.000 2.531 179 A HA 0.481 4.807 4.320 0.011 0.000 0.236 179 A C 1.141 178.676 177.584 -0.082 0.000 1.062 179 A CA 1.219 53.230 52.037 -0.043 0.000 0.760 179 A CB -0.762 18.226 19.000 -0.019 0.000 0.995 179 A HN 1.477 nan 8.150 nan 0.000 0.501 180 G N 1.706 110.440 108.800 -0.111 0.000 2.503 180 G HA2 -0.156 3.810 3.960 0.011 0.000 0.235 180 G HA3 -0.156 3.810 3.960 0.011 0.000 0.235 180 G C -0.245 174.533 174.900 -0.202 0.000 1.179 180 G CA 0.114 45.136 45.100 -0.129 0.000 0.944 180 G HN 1.013 nan 8.290 nan 0.000 0.580 181 E N 1.635 121.724 120.200 -0.185 0.000 2.338 181 E HA 0.460 4.817 4.350 0.011 0.000 0.272 181 E C -0.115 176.302 176.600 -0.305 0.000 1.029 181 E CA -0.188 56.066 56.400 -0.243 0.000 0.872 181 E CB 0.654 30.261 29.700 -0.154 0.000 1.015 181 E HN 0.432 nan 8.360 nan 0.000 0.417 182 N N 2.000 120.398 118.700 -0.502 0.000 2.357 182 N HA 0.357 5.103 4.740 0.011 0.000 0.284 182 N C -1.134 174.192 175.510 -0.306 0.000 1.236 182 N CA -0.720 52.042 53.050 -0.480 0.000 0.774 182 N CB 2.523 40.534 38.487 -0.793 0.000 1.534 182 N HN 0.302 nan 8.380 nan 0.000 0.478 183 R N 1.665 122.135 120.500 -0.050 0.000 2.502 183 R HA 0.473 4.819 4.340 0.011 0.000 0.300 183 R C -1.238 175.151 176.300 0.150 0.000 0.984 183 R CA -0.473 55.670 56.100 0.072 0.000 0.882 183 R CB 0.903 31.193 30.300 -0.017 0.000 1.180 183 R HN 0.483 nan 8.270 nan 0.000 0.444 184 L N 3.110 124.454 121.223 0.202 0.000 2.343 184 L HA 0.723 5.069 4.340 0.011 0.000 0.275 184 L C -0.181 176.755 176.870 0.109 0.000 1.056 184 L CA -0.825 54.117 54.840 0.169 0.000 0.804 184 L CB 1.882 44.020 42.059 0.132 0.000 1.203 184 L HN 0.755 nan 8.230 nan 0.000 0.440 185 A N 3.036 125.934 122.820 0.129 0.000 2.357 185 A HA 0.718 5.045 4.320 0.011 0.000 0.295 185 A C -1.061 176.788 177.584 0.443 0.000 1.121 185 A CA -0.436 51.591 52.037 -0.017 0.000 0.742 185 A CB 1.426 20.002 19.000 -0.706 0.000 1.181 185 A HN 0.368 nan 8.150 nan 0.000 0.454 186 V N 3.548 123.902 119.914 0.732 0.000 2.407 186 V HA 0.444 4.570 4.120 0.011 0.000 0.291 186 V C -0.022 176.626 176.094 0.924 0.000 1.018 186 V CA -0.280 62.474 62.300 0.756 0.000 0.842 186 V CB 1.440 33.551 31.823 0.480 0.000 0.996 186 V HN 0.963 nan 8.190 nan 0.000 0.426 187 M N 6.146 126.303 119.600 0.928 0.000 2.063 187 M HA 0.542 5.028 4.480 0.011 0.000 0.348 187 M C -1.345 175.233 176.300 0.462 0.000 1.180 187 M CA -0.289 55.374 55.300 0.605 0.000 1.059 187 M CB 1.006 33.994 32.600 0.648 0.000 1.544 187 M HN 0.469 nan 8.290 nan 0.000 0.447 188 V N 6.942 127.090 119.914 0.388 0.000 2.394 188 V HA 0.396 4.522 4.120 0.011 0.000 0.282 188 V C -0.181 176.089 176.094 0.294 0.000 1.031 188 V CA -0.656 61.879 62.300 0.390 0.000 0.881 188 V CB 1.458 33.609 31.823 0.548 0.000 0.982 188 V HN 0.795 nan 8.190 nan 0.000 0.451 189 L N 5.009 126.341 121.223 0.182 0.000 2.282 189 L HA 0.527 4.873 4.340 0.011 0.000 0.288 189 L C 1.528 178.425 176.870 0.044 0.000 1.033 189 L CA -0.388 54.480 54.840 0.047 0.000 0.807 189 L CB 1.287 43.273 42.059 -0.121 0.000 1.209 189 L HN 0.626 nan 8.230 nan 0.000 0.423 190 R N 2.915 123.392 120.500 -0.039 0.000 2.081 190 R HA -0.070 4.276 4.340 0.011 0.000 0.235 190 R C -0.373 175.602 176.300 -0.542 0.000 1.131 190 R CA 1.411 57.245 56.100 -0.443 0.000 0.960 190 R CB 0.205 30.087 30.300 -0.697 0.000 0.856 190 R HN 0.568 nan 8.270 nan 0.000 0.436 191 W N 0.053 121.419 121.300 0.110 0.000 2.627 191 W HA 0.423 5.090 4.660 0.010 0.000 0.339 191 W C -0.320 176.311 176.519 0.187 0.000 1.058 191 W CA -0.810 56.603 57.345 0.114 0.000 1.223 191 W CB 1.776 31.302 29.460 0.110 0.000 1.389 191 W HN 0.024 nan 8.180 nan 0.000 0.541 192 S N -1.081 114.905 115.700 0.476 0.000 2.672 192 S HA 0.193 4.669 4.470 0.011 0.000 0.271 192 S C 0.025 174.869 174.600 0.406 0.000 1.171 192 S CA -0.449 58.041 58.200 0.484 0.000 0.817 192 S CB 1.100 64.567 63.200 0.445 0.000 1.150 192 S HN 0.618 nan 8.310 nan 0.000 0.478 193 D N 0.369 121.018 120.400 0.415 0.000 2.263 193 D HA 0.086 4.732 4.640 0.011 0.000 0.208 193 D C 1.757 178.369 176.300 0.519 0.000 0.971 193 D CA 1.138 55.437 54.000 0.498 0.000 0.867 193 D CB -0.674 40.308 40.800 0.302 0.000 0.929 193 D HN 0.702 nan 8.370 nan 0.000 0.492 194 G N 0.169 109.192 108.800 0.372 0.000 2.443 194 G HA2 -0.251 3.715 3.960 0.011 0.000 0.219 194 G HA3 -0.251 3.715 3.960 0.011 0.000 0.219 194 G C 1.705 176.784 174.900 0.299 0.000 1.131 194 G CA 0.664 45.956 45.100 0.320 0.000 0.775 194 G HN 0.304 nan 8.290 nan 0.000 0.547 195 S N 0.092 115.951 115.700 0.264 0.000 2.419 195 S HA -0.131 4.346 4.470 0.011 0.000 0.235 195 S C 1.926 176.617 174.600 0.153 0.000 1.019 195 S CA 0.867 59.192 58.200 0.209 0.000 0.982 195 S CB -0.395 62.936 63.200 0.219 0.000 0.789 195 S HN 0.512 nan 8.310 nan 0.000 0.490 196 Y N 1.150 121.562 120.300 0.186 0.000 2.497 196 Y HA 0.089 4.645 4.550 0.011 0.000 0.292 196 Y C 1.601 177.594 175.900 0.156 0.000 1.137 196 Y CA 0.578 58.700 58.100 0.037 0.000 1.285 196 Y CB -0.278 38.061 38.460 -0.203 0.000 0.991 196 Y HN 0.216 nan 8.280 nan 0.000 0.556 197 L N -0.479 120.927 121.223 0.306 0.000 2.667 197 L HA 0.157 4.503 4.340 0.011 0.000 0.232 197 L C 0.030 177.039 176.870 0.232 0.000 1.138 197 L CA 0.345 55.327 54.840 0.236 0.000 0.921 197 L CB 0.113 42.314 42.059 0.235 0.000 1.180 197 L HN 0.092 nan 8.230 nan 0.000 0.487 198 E N 0.073 120.425 120.200 0.253 0.000 3.846 198 E HA 0.049 4.405 4.350 0.011 0.000 0.216 198 E C -0.546 176.173 176.600 0.197 0.000 1.092 198 E CA -0.062 56.473 56.400 0.225 0.000 1.370 198 E CB 0.519 30.340 29.700 0.202 0.000 1.227 198 E HN 0.027 nan 8.360 nan 0.000 0.442 199 D N 1.200 121.680 120.400 0.134 0.000 2.706 199 D HA 0.035 4.681 4.640 0.011 0.000 0.236 199 D C -0.205 176.096 176.300 0.001 0.000 1.231 199 D CA -0.155 53.816 54.000 -0.048 0.000 0.828 199 D CB 0.165 40.697 40.800 -0.446 0.000 1.015 199 D HN 0.047 nan 8.370 nan 0.000 0.484 200 Q N 0.363 120.252 119.800 0.149 0.000 2.421 200 Q HA 0.143 4.489 4.340 0.011 0.000 0.255 200 Q C -0.191 175.930 176.000 0.201 0.000 1.013 200 Q CA 0.054 56.014 55.803 0.263 0.000 0.895 200 Q CB 0.618 29.659 28.738 0.505 0.000 1.271 200 Q HN 0.081 nan 8.270 nan 0.000 0.460 201 D N 2.705 123.267 120.400 0.269 0.000 2.455 201 D HA 0.225 4.872 4.640 0.011 0.000 0.234 201 D C -0.765 175.688 176.300 0.254 0.000 1.224 201 D CA 0.136 54.260 54.000 0.206 0.000 0.999 201 D CB -0.401 40.546 40.800 0.246 0.000 1.072 201 D HN 0.490 nan 8.370 nan 0.000 0.514 202 M N 0.402 120.091 119.600 0.149 0.000 3.196 202 M HA 0.363 4.850 4.480 0.011 0.000 0.279 202 M C -1.375 175.002 176.300 0.129 0.000 1.173 202 M CA -1.168 54.183 55.300 0.085 0.000 0.820 202 M CB 0.990 33.523 32.600 -0.111 0.000 1.621 202 M HN -0.072 nan 8.290 nan 0.000 0.521 203 W N 1.995 123.388 121.300 0.155 0.000 2.210 203 W HA 0.369 5.036 4.660 0.011 0.000 0.330 203 W C 0.219 176.747 176.519 0.016 0.000 1.334 203 W CA 0.005 57.423 57.345 0.121 0.000 1.227 203 W CB 0.395 29.869 29.460 0.024 0.000 1.178 203 W HN 0.265 nan 8.180 nan 0.000 0.560 204 R N 4.809 125.466 120.500 0.263 0.000 2.230 204 R HA 0.396 4.743 4.340 0.011 0.000 0.337 204 R C -0.210 176.087 176.300 -0.005 0.000 1.063 204 R CA -0.245 55.933 56.100 0.129 0.000 0.935 204 R CB 0.118 30.566 30.300 0.246 0.000 1.121 204 R HN 0.561 nan 8.270 nan 0.000 0.486 205 M N 0.251 119.743 119.600 -0.179 0.000 2.826 205 M HA 0.514 5.000 4.480 0.011 0.000 0.288 205 M C 0.114 176.063 176.300 -0.585 0.000 1.141 205 M CA -0.743 54.333 55.300 -0.374 0.000 0.816 205 M CB 2.117 34.498 32.600 -0.364 0.000 1.704 205 M HN 0.630 nan 8.290 nan 0.000 0.497 206 S N -1.253 113.960 115.700 -0.811 0.000 2.611 206 S HA 0.939 5.415 4.470 0.011 0.000 0.268 206 S C -0.596 173.465 174.600 -0.898 0.000 1.156 206 S CA -0.200 57.437 58.200 -0.938 0.000 0.817 206 S CB 1.591 64.053 63.200 -1.231 0.000 1.122 206 S HN 1.495 nan 8.310 nan 0.000 0.466 207 G N -0.004 108.517 108.800 -0.466 0.000 2.373 207 G HA2 0.122 4.089 3.960 0.011 0.000 0.634 207 G HA3 0.122 4.089 3.960 0.011 0.000 0.634 207 G C -1.197 173.689 174.900 -0.023 0.000 1.267 207 G CA -0.584 44.556 45.100 0.066 0.000 1.008 207 G HN 1.234 nan 8.290 nan 0.000 0.497 208 I N 2.070 122.474 120.570 -0.276 0.000 2.243 208 I HA 0.241 4.417 4.170 0.011 0.000 0.297 208 I C 1.293 177.279 176.117 -0.219 0.000 1.161 208 I CA -0.211 60.847 61.300 -0.402 0.000 1.298 208 I CB -0.224 37.279 38.000 -0.829 0.000 1.475 208 I HN 0.496 nan 8.210 nan 0.000 0.561 209 F N 4.122 123.907 119.950 -0.275 0.000 2.765 209 F HA 0.427 4.960 4.527 0.010 0.000 0.302 209 F C 0.679 176.384 175.800 -0.159 0.000 1.111 209 F CA -0.523 57.348 58.000 -0.214 0.000 1.359 209 F CB -0.198 38.684 39.000 -0.196 0.000 1.097 209 F HN 0.135 nan 8.300 nan 0.000 0.577 210 R N 0.246 120.331 120.500 -0.692 0.000 2.930 210 R HA 0.246 4.592 4.340 0.011 0.000 0.257 210 R C -0.649 175.434 176.300 -0.362 0.000 1.107 210 R CA -1.130 54.645 56.100 -0.541 0.000 0.999 210 R CB 0.796 30.663 30.300 -0.721 0.000 1.209 210 R HN -0.035 nan 8.270 nan 0.000 0.486 211 D N 0.793 121.026 120.400 -0.279 0.000 2.419 211 D HA 0.103 4.749 4.640 0.011 0.000 0.236 211 D C -0.495 175.654 176.300 -0.251 0.000 1.165 211 D CA 0.480 54.353 54.000 -0.211 0.000 0.882 211 D CB 0.783 41.497 40.800 -0.144 0.000 1.201 211 D HN -0.016 nan 8.370 nan 0.000 0.443 212 V N 1.073 120.848 119.914 -0.231 0.000 2.588 212 V HA 0.536 4.662 4.120 0.011 0.000 0.304 212 V C 0.004 175.972 176.094 -0.210 0.000 1.042 212 V CA -0.565 61.535 62.300 -0.335 0.000 0.877 212 V CB 1.740 33.360 31.823 -0.339 0.000 0.996 212 V HN 0.771 nan 8.190 nan 0.000 0.425 213 S N 4.533 120.095 115.700 -0.230 0.000 2.638 213 S HA 0.829 5.306 4.470 0.011 0.000 0.274 213 S C -1.339 173.215 174.600 -0.077 0.000 1.157 213 S CA -0.926 57.206 58.200 -0.112 0.000 0.826 213 S CB 1.924 65.094 63.200 -0.049 0.000 1.139 213 S HN 0.469 nan 8.310 nan 0.000 0.474 214 L N 1.441 122.681 121.223 0.028 0.000 2.341 214 L HA 0.672 5.018 4.340 0.011 0.000 0.278 214 L C -1.466 175.592 176.870 0.314 0.000 1.005 214 L CA -0.891 54.048 54.840 0.165 0.000 0.818 214 L CB 1.721 43.884 42.059 0.174 0.000 1.259 214 L HN 0.700 nan 8.230 nan 0.000 0.418 215 L N 3.630 125.018 121.223 0.276 0.000 2.356 215 L HA 0.470 4.817 4.340 0.011 0.000 0.277 215 L C -0.749 176.148 176.870 0.046 0.000 0.996 215 L CA -0.145 54.794 54.840 0.164 0.000 0.822 215 L CB 1.441 43.554 42.059 0.090 0.000 1.256 215 L HN 0.467 nan 8.230 nan 0.000 0.413 216 H N 5.362 124.225 119.070 -0.346 0.000 2.488 216 H HA 0.504 5.067 4.556 0.011 0.000 0.322 216 H C -1.272 173.846 175.328 -0.351 0.000 1.078 216 H CA -0.498 55.218 56.048 -0.555 0.000 1.260 216 H CB 1.141 30.067 29.762 -1.393 0.000 1.425 216 H HN 0.554 nan 8.280 nan 0.000 0.471 217 K N 5.437 125.514 120.400 -0.538 0.000 2.385 217 K HA 0.375 4.702 4.320 0.011 0.000 0.248 217 K C -2.746 173.654 176.600 -0.333 0.000 0.955 217 K CA -2.017 54.082 56.287 -0.313 0.000 0.816 217 K CB 2.204 34.566 32.500 -0.230 0.000 1.250 217 K HN 0.462 nan 8.250 nan 0.000 0.434 218 P HA 0.142 nan 4.420 nan 0.000 0.274 218 P C 0.517 177.754 177.300 -0.105 0.000 1.246 218 P CA -0.147 62.900 63.100 -0.089 0.000 0.795 218 P CB 0.510 32.185 31.700 -0.041 0.000 1.006 219 T N -1.170 113.345 114.554 -0.065 0.000 2.788 219 T HA -0.051 4.305 4.350 0.011 0.000 0.268 219 T C 0.616 175.281 174.700 -0.058 0.000 1.044 219 T CA 1.570 63.636 62.100 -0.056 0.000 1.139 219 T CB -0.575 68.276 68.868 -0.027 0.000 0.867 219 T HN 0.417 nan 8.240 nan 0.000 0.454 220 T N 3.714 118.240 114.554 -0.047 0.000 2.738 220 T HA 0.441 4.797 4.350 0.011 0.000 0.298 220 T C -0.193 174.466 174.700 -0.069 0.000 0.962 220 T CA -0.621 61.443 62.100 -0.060 0.000 0.972 220 T CB 0.654 69.505 68.868 -0.027 0.000 0.928 220 T HN 0.470 nan 8.240 nan 0.000 0.474 221 Q N 2.584 122.326 119.800 -0.096 0.000 2.553 221 Q HA 0.629 4.975 4.340 0.011 0.000 0.293 221 Q C -1.221 174.710 176.000 -0.115 0.000 1.038 221 Q CA -1.181 54.552 55.803 -0.116 0.000 0.777 221 Q CB 1.435 30.084 28.738 -0.148 0.000 1.487 221 Q HN 0.462 nan 8.270 nan 0.000 0.426 222 I N 2.571 123.040 120.570 -0.167 0.000 2.322 222 I HA 0.063 4.240 4.170 0.011 0.000 0.292 222 I C 0.652 176.658 176.117 -0.184 0.000 1.060 222 I CA -0.170 61.048 61.300 -0.138 0.000 1.309 222 I CB 1.191 39.056 38.000 -0.224 0.000 1.415 222 I HN 0.856 nan 8.210 nan 0.000 0.492 223 S N 2.617 118.327 115.700 0.016 0.000 2.535 223 S HA 0.203 4.679 4.470 0.011 0.000 0.214 223 S C 0.108 174.928 174.600 0.366 0.000 0.980 223 S CA -0.258 58.027 58.200 0.142 0.000 0.907 223 S CB 0.120 63.369 63.200 0.081 0.000 0.790 223 S HN 0.727 nan 8.310 nan 0.000 0.510 224 D N -0.351 120.285 120.400 0.392 0.000 2.884 224 D HA 0.446 5.092 4.640 0.011 0.000 0.255 224 D C -1.935 174.599 176.300 0.390 0.000 1.142 224 D CA -0.668 53.577 54.000 0.408 0.000 0.726 224 D CB 1.002 41.919 40.800 0.193 0.000 1.436 224 D HN 0.184 nan 8.370 nan 0.000 0.441 225 F N -0.357 119.693 119.950 0.165 0.000 2.635 225 F HA 0.582 5.116 4.527 0.011 0.000 0.314 225 F C -1.562 174.366 175.800 0.212 0.000 1.119 225 F CA -0.744 57.296 58.000 0.067 0.000 1.000 225 F CB 1.096 40.157 39.000 0.102 0.000 1.278 225 F HN 0.268 nan 8.300 nan 0.000 0.446 226 H N 2.039 121.166 119.070 0.096 0.000 2.489 226 H HA 0.760 5.322 4.556 0.011 0.000 0.343 226 H C -1.227 174.132 175.328 0.051 0.000 1.086 226 H CA -1.517 54.523 56.048 -0.013 0.000 1.198 226 H CB 2.635 32.377 29.762 -0.034 0.000 1.490 226 H HN 0.596 nan 8.280 nan 0.000 0.504 227 V N 2.449 122.442 119.914 0.132 0.000 2.448 227 V HA 0.626 4.753 4.120 0.011 0.000 0.295 227 V C -0.207 175.868 176.094 -0.031 0.000 1.025 227 V CA -0.533 61.802 62.300 0.059 0.000 0.859 227 V CB 1.195 33.053 31.823 0.058 0.000 0.988 227 V HN 0.924 nan 8.190 nan 0.000 0.431 228 A N 3.408 126.189 122.820 -0.066 0.000 2.413 228 A HA 0.972 5.298 4.320 0.011 0.000 0.307 228 A C -0.178 177.289 177.584 -0.195 0.000 1.087 228 A CA -0.532 51.444 52.037 -0.101 0.000 0.750 228 A CB 2.105 21.073 19.000 -0.053 0.000 1.296 228 A HN 0.910 nan 8.150 nan 0.000 0.423 229 T N -0.242 114.179 114.554 -0.222 0.000 2.881 229 T HA 0.720 5.076 4.350 0.011 0.000 0.291 229 T C -0.522 173.963 174.700 -0.358 0.000 0.990 229 T CA -0.673 61.195 62.100 -0.387 0.000 0.976 229 T CB 0.991 69.508 68.868 -0.585 0.000 0.970 229 T HN 0.699 nan 8.240 nan 0.000 0.438 230 R N 1.872 122.100 120.500 -0.453 0.000 2.732 230 R HA 0.824 5.170 4.340 0.011 0.000 0.278 230 R C -1.096 174.852 176.300 -0.587 0.000 0.976 230 R CA -0.747 55.172 56.100 -0.302 0.000 0.963 230 R CB 1.378 31.592 30.300 -0.142 0.000 1.150 230 R HN 0.556 nan 8.270 nan 0.000 0.478 231 F N 0.057 119.983 119.950 -0.040 0.000 2.620 231 F HA 0.363 4.896 4.527 0.009 0.000 0.320 231 F C 0.337 176.001 175.800 -0.227 0.000 1.069 231 F CA -1.198 56.724 58.000 -0.129 0.000 0.953 231 F CB 1.011 39.858 39.000 -0.255 0.000 1.322 231 F HN 0.529 nan 8.300 nan 0.000 0.479 232 N N -0.172 118.508 118.700 -0.033 0.000 2.405 232 N HA 0.103 4.849 4.740 0.011 0.000 0.269 232 N C 0.395 175.768 175.510 -0.228 0.000 1.249 232 N CA -0.194 52.801 53.050 -0.092 0.000 0.974 232 N CB 0.074 38.537 38.487 -0.040 0.000 1.204 232 N HN 0.660 nan 8.380 nan 0.000 0.565 233 D N -0.920 119.392 120.400 -0.147 0.000 2.149 233 D HA -0.270 4.376 4.640 0.011 0.000 0.194 233 D C 0.510 176.726 176.300 -0.140 0.000 1.001 233 D CA 1.879 55.793 54.000 -0.144 0.000 0.849 233 D CB -0.566 40.209 40.800 -0.042 0.000 0.939 233 D HN 0.753 nan 8.370 nan 0.000 0.449 234 D N -1.591 118.783 120.400 -0.043 0.000 2.368 234 D HA 0.001 4.648 4.640 0.011 0.000 0.218 234 D C 0.112 176.594 176.300 0.304 0.000 1.112 234 D CA -0.828 53.260 54.000 0.147 0.000 0.834 234 D CB -0.885 39.989 40.800 0.123 0.000 0.953 234 D HN 0.265 nan 8.370 nan 0.000 0.505 235 F N 0.345 120.348 119.950 0.088 0.000 3.034 235 F HA -0.281 4.252 4.527 0.010 0.000 0.286 235 F C 1.577 177.460 175.800 0.138 0.000 0.804 235 F CA 0.789 58.860 58.000 0.119 0.000 1.161 235 F CB -2.561 36.407 39.000 -0.054 0.000 1.317 235 F HN 0.199 nan 8.300 nan 0.000 0.453 236 S N -1.243 114.575 115.700 0.198 0.000 2.558 236 S HA 0.283 4.759 4.470 0.011 0.000 0.217 236 S C 0.658 175.319 174.600 0.102 0.000 0.975 236 S CA -0.009 58.272 58.200 0.135 0.000 0.912 236 S CB 0.424 63.677 63.200 0.088 0.000 0.776 236 S HN 0.453 nan 8.310 nan 0.000 0.526 237 R N 0.010 120.579 120.500 0.116 0.000 2.698 237 R HA 0.799 5.145 4.340 0.011 0.000 0.275 237 R C -1.453 174.886 176.300 0.065 0.000 1.001 237 R CA -0.374 55.760 56.100 0.056 0.000 0.896 237 R CB 2.272 32.581 30.300 0.015 0.000 1.218 237 R HN 0.240 nan 8.270 nan 0.000 0.462 238 A N 1.401 124.199 122.820 -0.035 0.000 2.587 238 A HA 0.704 5.030 4.320 0.011 0.000 0.293 238 A C -1.451 176.054 177.584 -0.131 0.000 1.087 238 A CA -0.625 51.308 52.037 -0.173 0.000 0.692 238 A CB 2.101 20.957 19.000 -0.240 0.000 1.291 238 A HN 0.317 nan 8.150 nan 0.000 0.407 239 V N 1.671 121.477 119.914 -0.180 0.000 2.444 239 V HA 0.466 4.593 4.120 0.011 0.000 0.294 239 V C -0.492 175.528 176.094 -0.123 0.000 1.022 239 V CA -0.360 61.873 62.300 -0.111 0.000 0.850 239 V CB 1.409 33.170 31.823 -0.103 0.000 0.992 239 V HN 0.805 nan 8.190 nan 0.000 0.426 240 L N 4.509 125.696 121.223 -0.061 0.000 2.264 240 L HA 0.628 4.974 4.340 0.011 0.000 0.289 240 L C -0.032 176.790 176.870 -0.080 0.000 1.044 240 L CA -0.075 54.703 54.840 -0.104 0.000 0.807 240 L CB 1.215 43.245 42.059 -0.048 0.000 1.192 240 L HN 0.795 nan 8.230 nan 0.000 0.425 241 E N 4.465 124.612 120.200 -0.087 0.000 2.165 241 E HA 0.621 4.977 4.350 0.011 0.000 0.266 241 E C -1.344 175.243 176.600 -0.022 0.000 0.889 241 E CA -0.708 55.661 56.400 -0.051 0.000 0.756 241 E CB 1.642 31.312 29.700 -0.049 0.000 1.131 241 E HN 0.711 nan 8.360 nan 0.000 0.411 242 A N 4.773 127.589 122.820 -0.007 0.000 2.291 242 A HA 0.299 4.626 4.320 0.011 0.000 0.311 242 A C -0.629 176.965 177.584 0.016 0.000 1.224 242 A CA -0.663 51.396 52.037 0.036 0.000 0.821 242 A CB 0.997 20.023 19.000 0.043 0.000 1.172 242 A HN 0.732 nan 8.150 nan 0.000 0.494 243 E N 2.827 123.042 120.200 0.025 0.000 2.146 243 E HA 0.525 4.881 4.350 0.011 0.000 0.282 243 E C -1.314 175.268 176.600 -0.029 0.000 0.989 243 E CA -0.346 56.028 56.400 -0.042 0.000 0.799 243 E CB 1.100 30.737 29.700 -0.104 0.000 1.088 243 E HN 0.387 nan 8.360 nan 0.000 0.397 244 V N 4.562 124.466 119.914 -0.016 0.000 2.555 244 V HA 0.312 4.438 4.120 0.011 0.000 0.302 244 V C -0.378 175.787 176.094 0.117 0.000 1.038 244 V CA -0.803 61.534 62.300 0.061 0.000 0.887 244 V CB 1.701 33.535 31.823 0.018 0.000 0.991 244 V HN 0.740 nan 8.190 nan 0.000 0.434 245 Q N 3.829 123.709 119.800 0.134 0.000 2.342 245 Q HA 0.811 5.158 4.340 0.011 0.000 0.267 245 Q C -0.782 175.293 176.000 0.125 0.000 1.038 245 Q CA -0.814 55.062 55.803 0.123 0.000 0.832 245 Q CB 2.592 31.337 28.738 0.012 0.000 1.323 245 Q HN 0.827 nan 8.270 nan 0.000 0.448 246 M N -0.710 118.896 119.600 0.010 0.000 2.727 246 M HA 0.795 5.282 4.480 0.011 0.000 0.300 246 M C -1.363 174.846 176.300 -0.152 0.000 1.246 246 M CA -0.545 54.675 55.300 -0.132 0.000 0.835 246 M CB 1.589 33.920 32.600 -0.449 0.000 1.755 246 M HN 0.523 nan 8.290 nan 0.000 0.473 247 C N 0.499 119.717 119.300 -0.138 0.000 2.898 247 C HA 1.029 5.496 4.460 0.011 0.000 0.304 247 C C 0.523 175.441 174.990 -0.121 0.000 1.237 247 C CA 0.539 59.495 59.018 -0.104 0.000 1.529 247 C CB 1.130 28.838 27.740 -0.052 0.000 2.021 247 C HN 1.453 nan 8.230 nan 0.000 0.474 248 G N 2.062 110.802 108.800 -0.101 0.000 2.396 248 G HA2 0.039 4.006 3.960 0.011 0.000 0.254 248 G HA3 0.039 4.006 3.960 0.011 0.000 0.254 248 G C -0.984 173.853 174.900 -0.106 0.000 1.248 248 G CA -0.335 44.711 45.100 -0.090 0.000 1.033 248 G HN 0.997 nan 8.290 nan 0.000 0.502 249 E N 0.169 120.315 120.200 -0.089 0.000 2.257 249 E HA 0.524 4.881 4.350 0.011 0.000 0.278 249 E C 0.015 176.517 176.600 -0.164 0.000 1.049 249 E CA -0.605 55.737 56.400 -0.097 0.000 0.876 249 E CB 1.377 31.047 29.700 -0.050 0.000 1.035 249 E HN 0.516 nan 8.360 nan 0.000 0.419 250 L N 4.095 125.207 121.223 -0.185 0.000 2.290 250 L HA 0.329 4.675 4.340 0.011 0.000 0.284 250 L C 0.112 176.827 176.870 -0.257 0.000 1.078 250 L CA -0.426 54.266 54.840 -0.246 0.000 0.815 250 L CB 0.466 42.404 42.059 -0.202 0.000 1.162 250 L HN 0.534 nan 8.230 nan 0.000 0.435 251 R N 2.161 122.426 120.500 -0.391 0.000 2.725 251 R HA 0.214 4.561 4.340 0.011 0.000 0.277 251 R C -0.135 175.883 176.300 -0.470 0.000 0.987 251 R CA -0.828 54.948 56.100 -0.540 0.000 0.901 251 R CB 1.433 31.028 30.300 -1.175 0.000 1.207 251 R HN 0.502 nan 8.270 nan 0.000 0.463 252 D N 1.048 121.280 120.400 -0.280 0.000 2.263 252 D HA -0.147 4.500 4.640 0.011 0.000 0.208 252 D C 1.484 177.746 176.300 -0.063 0.000 0.971 252 D CA 1.510 55.440 54.000 -0.116 0.000 0.867 252 D CB 0.145 40.925 40.800 -0.033 0.000 0.929 252 D HN 0.566 nan 8.370 nan 0.000 0.492 253 Y N -0.041 120.274 120.300 0.025 0.000 2.561 253 Y HA 0.228 4.785 4.550 0.011 0.000 0.291 253 Y C 0.817 176.731 175.900 0.022 0.000 1.141 253 Y CA -0.450 57.663 58.100 0.023 0.000 1.303 253 Y CB -0.911 37.562 38.460 0.021 0.000 1.015 253 Y HN -0.192 nan 8.280 nan 0.000 0.547 254 L N 2.926 124.141 121.223 -0.013 0.000 2.426 254 L HA 0.287 4.633 4.340 0.011 0.000 0.271 254 L C 0.203 177.114 176.870 0.067 0.000 1.169 254 L CA 0.036 54.946 54.840 0.115 0.000 0.836 254 L CB 0.445 42.563 42.059 0.097 0.000 1.112 254 L HN 0.178 nan 8.230 nan 0.000 0.465 255 R N 2.150 122.579 120.500 -0.119 0.000 2.774 255 R HA 0.689 5.035 4.340 0.011 0.000 0.272 255 R C -1.505 174.474 176.300 -0.535 0.000 1.000 255 R CA -0.817 55.053 56.100 -0.383 0.000 0.906 255 R CB 2.251 32.246 30.300 -0.508 0.000 1.227 255 R HN 0.266 nan 8.270 nan 0.000 0.468 256 V N 0.927 120.563 119.914 -0.462 0.000 2.588 256 V HA 0.476 4.603 4.120 0.011 0.000 0.304 256 V C -0.463 175.574 176.094 -0.095 0.000 1.042 256 V CA -0.540 61.583 62.300 -0.296 0.000 0.877 256 V CB 2.297 33.881 31.823 -0.399 0.000 0.996 256 V HN 0.718 nan 8.190 nan 0.000 0.425 257 T N 4.184 118.792 114.554 0.091 0.000 2.809 257 T HA 0.542 4.898 4.350 0.011 0.000 0.284 257 T C -0.583 174.144 174.700 0.045 0.000 0.992 257 T CA -0.324 61.848 62.100 0.120 0.000 0.957 257 T CB 1.518 70.514 68.868 0.213 0.000 0.942 257 T HN 0.326 nan 8.240 nan 0.000 0.439 258 V N 4.322 124.241 119.914 0.008 0.000 2.370 258 V HA 0.616 4.743 4.120 0.011 0.000 0.283 258 V C 0.128 176.233 176.094 0.018 0.000 1.023 258 V CA -0.723 61.581 62.300 0.006 0.000 0.857 258 V CB 1.479 33.293 31.823 -0.016 0.000 0.985 258 V HN 1.029 nan 8.190 nan 0.000 0.443 259 S N 5.507 121.249 115.700 0.069 0.000 2.503 259 S HA 0.821 5.298 4.470 0.011 0.000 0.301 259 S C -1.037 173.602 174.600 0.065 0.000 1.087 259 S CA -0.767 57.447 58.200 0.023 0.000 1.042 259 S CB 2.070 65.342 63.200 0.120 0.000 1.043 259 S HN 0.495 nan 8.310 nan 0.000 0.489 260 L N 2.890 124.047 121.223 -0.109 0.000 2.305 260 L HA 0.747 5.094 4.340 0.011 0.000 0.284 260 L C -1.843 174.967 176.870 -0.099 0.000 1.013 260 L CA -0.414 54.452 54.840 0.044 0.000 0.819 260 L CB 0.536 42.634 42.059 0.065 0.000 1.227 260 L HN 0.872 nan 8.230 nan 0.000 0.417 261 W N 3.734 125.134 121.300 0.167 0.000 2.666 261 W HA 0.608 5.275 4.660 0.011 0.000 0.334 261 W C -0.441 176.158 176.519 0.134 0.000 1.051 261 W CA -0.502 56.917 57.345 0.123 0.000 1.224 261 W CB 1.272 30.759 29.460 0.044 0.000 1.405 261 W HN 0.429 nan 8.180 nan 0.000 0.513 262 Q N 2.528 122.472 119.800 0.240 0.000 2.454 262 Q HA 0.485 4.831 4.340 0.011 0.000 0.255 262 Q C 0.647 176.680 176.000 0.054 0.000 1.034 262 Q CA 0.446 56.233 55.803 -0.026 0.000 0.736 262 Q CB 0.631 29.275 28.738 -0.156 0.000 1.210 262 Q HN 0.793 nan 8.270 nan 0.000 0.500 263 G N 2.935 111.769 108.800 0.056 0.000 2.550 263 G HA2 -0.346 3.620 3.960 0.011 0.000 0.277 263 G HA3 -0.346 3.620 3.960 0.011 0.000 0.277 263 G C 0.251 175.232 174.900 0.136 0.000 1.190 263 G CA 0.307 45.440 45.100 0.054 0.000 0.971 263 G HN 0.694 nan 8.290 nan 0.000 0.559 264 E N 0.802 121.078 120.200 0.126 0.000 2.465 264 E HA 0.192 4.548 4.350 0.011 0.000 0.191 264 E C 0.248 177.068 176.600 0.367 0.000 1.053 264 E CA 0.519 57.033 56.400 0.192 0.000 0.869 264 E CB 0.189 29.941 29.700 0.086 0.000 0.977 264 E HN 0.337 nan 8.360 nan 0.000 0.483 265 T N 1.476 116.201 114.554 0.285 0.000 2.744 265 T HA 0.106 4.463 4.350 0.011 0.000 0.291 265 T C -0.196 174.514 174.700 0.017 0.000 0.957 265 T CA -0.398 61.793 62.100 0.152 0.000 1.002 265 T CB 1.490 70.390 68.868 0.053 0.000 0.919 265 T HN 0.051 nan 8.240 nan 0.000 0.468 266 Q N 3.323 122.895 119.800 -0.380 0.000 2.307 266 Q HA 0.244 4.591 4.340 0.011 0.000 0.259 266 Q C 0.335 176.079 176.000 -0.428 0.000 0.998 266 Q CA -0.322 54.906 55.803 -0.959 0.000 0.923 266 Q CB 0.620 28.538 28.738 -1.367 0.000 1.196 266 Q HN 0.534 nan 8.270 nan 0.000 0.416 267 V N 3.100 122.837 119.914 -0.295 0.000 2.725 267 V HA 0.245 4.371 4.120 0.011 0.000 0.247 267 V C 0.377 176.383 176.094 -0.147 0.000 1.058 267 V CA 1.263 63.486 62.300 -0.129 0.000 1.080 267 V CB 0.246 32.085 31.823 0.027 0.000 0.713 267 V HN 0.816 nan 8.190 nan 0.000 0.465 268 A N -1.383 121.319 122.820 -0.196 0.000 2.610 268 A HA 0.796 5.122 4.320 0.011 0.000 0.291 268 A C -0.784 176.698 177.584 -0.171 0.000 1.086 268 A CA -0.003 51.944 52.037 -0.150 0.000 0.677 268 A CB 1.936 20.880 19.000 -0.094 0.000 1.278 268 A HN 0.053 nan 8.150 nan 0.000 0.414 269 S N -1.283 114.346 115.700 -0.119 0.000 2.543 269 S HA 0.755 5.231 4.470 0.011 0.000 0.274 269 S C -0.704 173.860 174.600 -0.059 0.000 1.149 269 S CA 0.215 58.358 58.200 -0.095 0.000 0.866 269 S CB 1.622 64.753 63.200 -0.114 0.000 1.111 269 S HN 2.349 nan 8.310 nan 0.000 0.457 270 G N 1.654 110.430 108.800 -0.040 0.000 2.731 270 G HA2 0.626 4.592 3.960 0.011 0.000 0.298 270 G HA3 0.626 4.592 3.960 0.011 0.000 0.298 270 G C -1.387 173.500 174.900 -0.021 0.000 1.424 270 G CA -0.377 44.703 45.100 -0.034 0.000 1.029 270 G HN 0.691 nan 8.290 nan 0.000 0.518 271 T N 0.067 114.610 114.554 -0.017 0.000 2.876 271 T HA 0.857 5.213 4.350 0.011 0.000 0.289 271 T C -0.275 174.398 174.700 -0.046 0.000 1.014 271 T CA -0.047 62.052 62.100 -0.002 0.000 0.986 271 T CB 1.798 70.699 68.868 0.054 0.000 1.021 271 T HN 1.537 nan 8.240 nan 0.000 0.458 272 A N 3.724 126.484 122.820 -0.100 0.000 2.605 272 A HA 0.899 5.226 4.320 0.011 0.000 0.294 272 A C -3.088 174.377 177.584 -0.198 0.000 1.062 272 A CA -1.507 50.455 52.037 -0.125 0.000 0.682 272 A CB 1.365 20.287 19.000 -0.130 0.000 1.278 272 A HN 0.535 nan 8.150 nan 0.000 0.410 273 P HA 0.559 nan 4.420 nan 0.000 0.278 273 P C -0.676 176.513 177.300 -0.184 0.000 1.266 273 P CA -0.315 62.707 63.100 -0.131 0.000 0.807 273 P CB 0.484 32.163 31.700 -0.035 0.000 1.094 274 F N -0.345 119.565 119.950 -0.067 0.000 2.410 274 F HA 0.479 5.012 4.527 0.010 0.000 0.334 274 F C 1.439 177.218 175.800 -0.034 0.000 1.134 274 F CA 1.466 59.435 58.000 -0.052 0.000 1.227 274 F CB 0.302 39.264 39.000 -0.064 0.000 1.194 274 F HN 0.595 nan 8.300 nan 0.000 0.571 275 G N 1.682 110.597 108.800 0.191 0.000 2.492 275 G HA2 0.332 4.298 3.960 0.011 0.000 0.283 275 G HA3 0.332 4.298 3.960 0.011 0.000 0.283 275 G C -0.335 174.613 174.900 0.079 0.000 1.274 275 G CA -0.736 44.432 45.100 0.113 0.000 1.215 275 G HN 1.041 nan 8.290 nan 0.000 0.598 276 G N 1.145 110.014 108.800 0.115 0.000 2.634 276 G HA2 0.588 4.555 3.960 0.011 0.000 0.255 276 G HA3 0.588 4.555 3.960 0.011 0.000 0.255 276 G C 0.608 175.548 174.900 0.067 0.000 1.205 276 G CA 0.131 45.288 45.100 0.094 0.000 0.884 276 G HN 0.984 nan 8.290 nan 0.000 0.549 277 E N 0.090 120.320 120.200 0.050 0.000 2.425 277 E HA 0.020 4.377 4.350 0.011 0.000 0.258 277 E C 0.235 176.857 176.600 0.036 0.000 1.151 277 E CA -0.360 56.059 56.400 0.032 0.000 0.958 277 E CB 0.684 30.397 29.700 0.022 0.000 0.968 277 E HN 0.335 nan 8.360 nan 0.000 0.451 278 I N 1.680 122.260 120.570 0.017 0.000 2.683 278 I HA -0.096 4.080 4.170 0.011 0.000 0.286 278 I C 1.324 177.449 176.117 0.014 0.000 1.175 278 I CA 0.325 61.628 61.300 0.006 0.000 1.429 278 I CB 0.212 38.210 38.000 -0.003 0.000 1.371 278 I HN 0.471 nan 8.210 nan 0.000 0.569 279 I N 3.852 124.425 120.570 0.005 0.000 3.445 279 I HA 0.026 4.202 4.170 0.011 0.000 0.288 279 I C 0.066 176.182 176.117 -0.001 0.000 1.198 279 I CA 0.447 61.758 61.300 0.018 0.000 1.417 279 I CB 0.333 38.359 38.000 0.045 0.000 1.205 279 I HN 0.747 nan 8.210 nan 0.000 0.448 280 D N -1.798 118.588 120.400 -0.023 0.000 2.838 280 D HA 0.093 4.739 4.640 0.011 0.000 0.334 280 D C 0.246 176.529 176.300 -0.029 0.000 1.315 280 D CA -0.519 53.468 54.000 -0.022 0.000 0.917 280 D CB 0.393 41.178 40.800 -0.024 0.000 1.435 280 D HN -0.271 nan 8.370 nan 0.000 0.517 281 E N -0.985 119.201 120.200 -0.025 0.000 2.219 281 E HA -0.088 4.268 4.350 0.011 0.000 0.198 281 E C 1.325 177.905 176.600 -0.033 0.000 0.998 281 E CA 1.049 57.434 56.400 -0.024 0.000 0.818 281 E CB -0.026 29.663 29.700 -0.019 0.000 0.741 281 E HN 0.204 nan 8.360 nan 0.000 0.477 282 R N -0.345 120.128 120.500 -0.046 0.000 2.317 282 R HA 0.261 4.607 4.340 0.011 0.000 0.208 282 R C 0.839 177.096 176.300 -0.071 0.000 0.914 282 R CA 0.720 56.786 56.100 -0.057 0.000 1.060 282 R CB 0.475 30.734 30.300 -0.068 0.000 1.015 282 R HN 0.231 nan 8.270 nan 0.000 0.498 283 G N -0.730 108.030 108.800 -0.067 0.000 2.460 283 G HA2 -0.110 3.857 3.960 0.011 0.000 0.207 283 G HA3 -0.110 3.857 3.960 0.011 0.000 0.207 283 G C -0.167 174.680 174.900 -0.088 0.000 1.170 283 G CA -0.587 44.473 45.100 -0.067 0.000 1.151 283 G HN 0.500 nan 8.290 nan 0.000 0.575 284 G N -2.074 106.666 108.800 -0.099 0.000 3.086 284 G HA2 0.631 4.598 3.960 0.011 0.000 0.282 284 G HA3 0.631 4.598 3.960 0.011 0.000 0.282 284 G C -1.651 173.141 174.900 -0.180 0.000 1.343 284 G CA -0.633 44.406 45.100 -0.102 0.000 0.895 284 G HN 0.800 nan 8.290 nan 0.000 0.557 285 Y N 1.229 121.537 120.300 0.014 0.000 2.504 285 Y HA 0.433 4.989 4.550 0.010 0.000 0.351 285 Y C 1.461 177.382 175.900 0.034 0.000 0.988 285 Y CA 0.230 58.341 58.100 0.020 0.000 1.239 285 Y CB 1.572 40.048 38.460 0.026 0.000 1.128 285 Y HN 0.546 nan 8.280 nan 0.000 0.525 286 A N 1.820 124.703 122.820 0.105 0.000 2.119 286 A HA -0.129 4.198 4.320 0.011 0.000 0.217 286 A C 1.398 179.038 177.584 0.094 0.000 1.153 286 A CA 1.341 53.426 52.037 0.079 0.000 0.692 286 A CB -0.250 18.755 19.000 0.009 0.000 0.799 286 A HN 0.771 nan 8.150 nan 0.000 0.458 287 D N -0.859 119.601 120.400 0.101 0.000 2.358 287 D HA 0.136 4.782 4.640 0.011 0.000 0.224 287 D C 0.425 176.820 176.300 0.160 0.000 1.123 287 D CA -0.054 53.932 54.000 -0.024 0.000 0.833 287 D CB -0.030 40.737 40.800 -0.055 0.000 0.946 287 D HN 0.366 nan 8.370 nan 0.000 0.505 288 R N -0.736 119.977 120.500 0.356 0.000 2.808 288 R HA 0.728 5.075 4.340 0.011 0.000 0.272 288 R C -1.661 174.785 176.300 0.243 0.000 0.995 288 R CA -1.116 55.173 56.100 0.316 0.000 0.917 288 R CB 3.110 33.461 30.300 0.085 0.000 1.217 288 R HN -0.019 nan 8.270 nan 0.000 0.471 289 V N 0.537 120.472 119.914 0.034 0.000 2.969 289 V HA 0.478 4.604 4.120 0.011 0.000 0.304 289 V C -1.494 174.536 176.094 -0.107 0.000 1.192 289 V CA -0.276 61.950 62.300 -0.123 0.000 0.962 289 V CB 2.707 34.278 31.823 -0.422 0.000 1.045 289 V HN 0.800 nan 8.190 nan 0.000 0.428 290 T N 7.603 122.107 114.554 -0.083 0.000 2.791 290 T HA 0.570 4.926 4.350 0.011 0.000 0.288 290 T C -0.833 173.826 174.700 -0.069 0.000 0.999 290 T CA -0.382 61.681 62.100 -0.063 0.000 0.952 290 T CB 0.903 69.748 68.868 -0.039 0.000 0.938 290 T HN 0.430 nan 8.240 nan 0.000 0.444 291 L N 3.792 124.974 121.223 -0.067 0.000 2.325 291 L HA 0.568 4.915 4.340 0.011 0.000 0.279 291 L C 0.543 177.385 176.870 -0.047 0.000 1.054 291 L CA -0.342 54.461 54.840 -0.062 0.000 0.804 291 L CB 1.133 43.154 42.059 -0.063 0.000 1.200 291 L HN 0.534 nan 8.230 nan 0.000 0.436 292 R N 3.512 123.985 120.500 -0.046 0.000 2.451 292 R HA 0.609 4.955 4.340 0.011 0.000 0.307 292 R C -1.377 174.898 176.300 -0.043 0.000 0.965 292 R CA -0.949 55.125 56.100 -0.044 0.000 0.865 292 R CB 1.924 32.198 30.300 -0.042 0.000 1.174 292 R HN 0.241 nan 8.270 nan 0.000 0.455 293 L N 2.766 123.965 121.223 -0.040 0.000 2.322 293 L HA 0.372 4.719 4.340 0.011 0.000 0.281 293 L C -0.181 176.665 176.870 -0.040 0.000 1.014 293 L CA -0.601 54.216 54.840 -0.039 0.000 0.815 293 L CB 1.598 43.638 42.059 -0.031 0.000 1.247 293 L HN 0.471 nan 8.230 nan 0.000 0.421 294 N N 1.381 120.052 118.700 -0.048 0.000 2.499 294 N HA 0.606 5.352 4.740 0.011 0.000 0.281 294 N C -1.158 174.312 175.510 -0.067 0.000 1.098 294 N CA -0.355 52.663 53.050 -0.053 0.000 0.979 294 N CB 1.558 40.016 38.487 -0.048 0.000 1.121 294 N HN 0.255 nan 8.380 nan 0.000 0.466 295 V N 1.806 121.668 119.914 -0.087 0.000 2.482 295 V HA 0.264 4.390 4.120 0.011 0.000 0.295 295 V C -0.474 175.544 176.094 -0.127 0.000 1.026 295 V CA -0.892 61.320 62.300 -0.147 0.000 0.856 295 V CB 1.436 33.079 31.823 -0.300 0.000 1.001 295 V HN 0.570 nan 8.190 nan 0.000 0.424 296 E N 2.795 122.942 120.200 -0.088 0.000 2.301 296 E HA 0.297 4.654 4.350 0.011 0.000 0.275 296 E C 0.178 176.755 176.600 -0.040 0.000 1.030 296 E CA -0.474 55.897 56.400 -0.048 0.000 0.852 296 E CB 0.600 30.282 29.700 -0.029 0.000 1.060 296 E HN 0.741 nan 8.360 nan 0.000 0.401 297 N N 1.218 119.918 118.700 -0.001 0.000 2.686 297 N HA -0.153 4.594 4.740 0.011 0.000 0.261 297 N C -2.441 173.074 175.510 0.007 0.000 1.001 297 N CA 0.258 53.323 53.050 0.025 0.000 0.764 297 N CB -1.025 37.478 38.487 0.026 0.000 0.898 297 N HN 0.339 nan 8.380 nan 0.000 0.544 298 P HA 0.021 nan 4.420 nan 0.000 0.271 298 P C -0.542 176.789 177.300 0.053 0.000 1.218 298 P CA 0.187 63.193 63.100 -0.156 0.000 0.780 298 P CB 0.813 32.196 31.700 -0.528 0.000 0.901 299 K N 2.754 123.269 120.400 0.193 0.000 2.312 299 K HA 0.303 4.629 4.320 0.011 0.000 0.287 299 K C 0.267 177.022 176.600 0.258 0.000 1.062 299 K CA -0.468 55.927 56.287 0.181 0.000 0.934 299 K CB 0.320 32.897 32.500 0.127 0.000 1.027 299 K HN 0.431 nan 8.250 nan 0.000 0.478 300 L N 2.443 123.747 121.223 0.136 0.000 2.417 300 L HA 0.263 4.609 4.340 0.011 0.000 0.268 300 L C 0.023 176.966 176.870 0.122 0.000 1.158 300 L CA -0.686 54.227 54.840 0.122 0.000 0.819 300 L CB 0.309 42.276 42.059 -0.153 0.000 1.112 300 L HN 0.615 nan 8.230 nan 0.000 0.458 301 W N 3.136 124.457 121.300 0.035 0.000 2.438 301 W HA 0.502 5.168 4.660 0.010 0.000 0.324 301 W C -0.053 176.421 176.519 -0.075 0.000 1.119 301 W CA 0.090 57.450 57.345 0.025 0.000 1.221 301 W CB 1.385 30.915 29.460 0.116 0.000 1.253 301 W HN 0.638 nan 8.180 nan 0.000 0.555 302 S N 2.847 118.003 115.700 -0.907 0.000 2.611 302 S HA 0.592 5.069 4.470 0.011 0.000 0.268 302 S C 0.023 173.872 174.600 -1.251 0.000 1.156 302 S CA -0.355 57.392 58.200 -0.754 0.000 0.817 302 S CB 0.968 63.996 63.200 -0.287 0.000 1.122 302 S HN 1.054 nan 8.310 nan 0.000 0.466 303 A N 0.485 122.718 122.820 -0.979 0.000 2.015 303 A HA 0.074 4.400 4.320 0.011 0.000 0.219 303 A C 1.767 179.038 177.584 -0.521 0.000 1.163 303 A CA 1.502 52.970 52.037 -0.949 0.000 0.646 303 A CB -0.960 17.347 19.000 -1.156 0.000 0.806 303 A HN 0.864 nan 8.150 nan 0.000 0.448 304 E N -0.715 119.317 120.200 -0.280 0.000 2.047 304 E HA 0.018 4.375 4.350 0.011 0.000 0.191 304 E C -0.184 176.284 176.600 -0.220 0.000 0.987 304 E CA 0.782 57.081 56.400 -0.169 0.000 0.799 304 E CB -0.012 29.726 29.700 0.064 0.000 0.752 304 E HN 0.592 nan 8.360 nan 0.000 0.449 305 I N 1.849 122.268 120.570 -0.251 0.000 2.583 305 I HA 0.149 4.325 4.170 0.011 0.000 0.276 305 I C -2.392 173.504 176.117 -0.369 0.000 1.089 305 I CA -1.831 59.334 61.300 -0.224 0.000 1.103 305 I CB 2.110 40.034 38.000 -0.127 0.000 1.209 305 I HN -0.174 nan 8.210 nan 0.000 0.484 306 P HA 0.023 nan 4.420 nan 0.000 0.232 306 P C -0.532 176.746 177.300 -0.036 0.000 1.738 306 P CA -0.150 62.643 63.100 -0.511 0.000 0.948 306 P CB -0.311 31.239 31.700 -0.249 0.000 1.943 307 N N 1.494 120.199 118.700 0.009 0.000 2.454 307 N HA 0.105 4.852 4.740 0.011 0.000 0.260 307 N C 0.143 175.872 175.510 0.366 0.000 1.218 307 N CA 0.526 53.660 53.050 0.141 0.000 0.904 307 N CB 0.711 39.272 38.487 0.124 0.000 1.065 307 N HN 0.324 nan 8.380 nan 0.000 0.462 308 L N 2.357 123.725 121.223 0.242 0.000 2.388 308 L HA 0.467 4.814 4.340 0.011 0.000 0.264 308 L C -0.888 176.097 176.870 0.192 0.000 0.998 308 L CA -0.860 54.172 54.840 0.319 0.000 0.817 308 L CB 1.354 43.567 42.059 0.256 0.000 1.338 308 L HN 0.383 nan 8.230 nan 0.000 0.414 309 Y N 0.386 120.836 120.300 0.250 0.000 2.621 309 Y HA 0.653 5.210 4.550 0.011 0.000 0.334 309 Y C -0.164 175.861 175.900 0.207 0.000 1.074 309 Y CA -0.835 57.411 58.100 0.244 0.000 1.149 309 Y CB 1.713 40.377 38.460 0.340 0.000 1.302 309 Y HN 0.380 nan 8.280 nan 0.000 0.501 310 R N 1.162 121.892 120.500 0.384 0.000 2.437 310 R HA 0.801 5.147 4.340 0.011 0.000 0.310 310 R C -1.618 174.876 176.300 0.322 0.000 0.955 310 R CA -0.553 55.710 56.100 0.272 0.000 0.851 310 R CB 1.012 31.408 30.300 0.161 0.000 1.161 310 R HN 0.736 nan 8.270 nan 0.000 0.446 311 A N 4.119 127.076 122.820 0.228 0.000 2.271 311 A HA 0.586 4.913 4.320 0.011 0.000 0.317 311 A C -1.022 176.635 177.584 0.123 0.000 1.245 311 A CA -0.656 51.497 52.037 0.194 0.000 0.857 311 A CB 1.166 20.254 19.000 0.146 0.000 1.175 311 A HN 0.494 nan 8.150 nan 0.000 0.512 312 V N 3.565 123.560 119.914 0.135 0.000 2.398 312 V HA 0.362 4.489 4.120 0.011 0.000 0.286 312 V C -0.274 175.814 176.094 -0.011 0.000 1.026 312 V CA -0.473 61.847 62.300 0.034 0.000 0.868 312 V CB 1.565 33.422 31.823 0.057 0.000 0.982 312 V HN 0.603 nan 8.190 nan 0.000 0.443 313 V N 4.927 124.771 119.914 -0.117 0.000 2.311 313 V HA 0.388 4.514 4.120 0.011 0.000 0.275 313 V C 0.017 176.061 176.094 -0.084 0.000 1.022 313 V CA -0.589 61.613 62.300 -0.164 0.000 0.830 313 V CB 1.062 32.627 31.823 -0.431 0.000 1.012 313 V HN 0.912 nan 8.190 nan 0.000 0.452 314 E N 4.015 124.219 120.200 0.006 0.000 2.134 314 E HA 0.464 4.821 4.350 0.011 0.000 0.278 314 E C -0.901 175.789 176.600 0.149 0.000 0.959 314 E CA -0.817 55.636 56.400 0.088 0.000 0.783 314 E CB 2.362 32.140 29.700 0.130 0.000 1.095 314 E HN 0.478 nan 8.360 nan 0.000 0.399 315 L N 4.906 126.193 121.223 0.107 0.000 2.257 315 L HA 0.359 4.705 4.340 0.011 0.000 0.290 315 L C -0.978 175.987 176.870 0.159 0.000 1.044 315 L CA 0.047 54.943 54.840 0.092 0.000 0.810 315 L CB -0.013 42.090 42.059 0.074 0.000 1.193 315 L HN 0.632 nan 8.230 nan 0.000 0.425 316 H N 0.247 119.368 119.070 0.086 0.000 2.990 316 H HA 0.732 5.295 4.556 0.011 0.000 0.343 316 H C -0.691 174.715 175.328 0.131 0.000 1.270 316 H CA -0.519 55.579 56.048 0.083 0.000 1.118 316 H CB 0.602 30.391 29.762 0.045 0.000 1.861 316 H HN 0.508 nan 8.280 nan 0.000 0.544 317 T N -1.672 113.026 114.554 0.239 0.000 2.904 317 T HA 0.464 4.821 4.350 0.011 0.000 0.290 317 T C 1.431 176.290 174.700 0.265 0.000 1.018 317 T CA -0.301 61.928 62.100 0.215 0.000 1.075 317 T CB 1.377 70.270 68.868 0.042 0.000 0.986 317 T HN 0.925 nan 8.240 nan 0.000 0.523 318 A N 1.349 124.290 122.820 0.201 0.000 1.978 318 A HA -0.060 4.266 4.320 0.011 0.000 0.220 318 A C 1.833 179.511 177.584 0.156 0.000 1.170 318 A CA 1.345 53.493 52.037 0.185 0.000 0.636 318 A CB -0.756 18.320 19.000 0.128 0.000 0.810 318 A HN 0.881 nan 8.150 nan 0.000 0.448 319 D N -1.239 119.222 120.400 0.102 0.000 2.363 319 D HA 0.236 4.882 4.640 0.011 0.000 0.226 319 D C 1.279 177.603 176.300 0.041 0.000 1.020 319 D CA 1.161 55.192 54.000 0.051 0.000 0.892 319 D CB 0.067 40.874 40.800 0.011 0.000 0.900 319 D HN 0.639 nan 8.370 nan 0.000 0.531 320 G N 0.067 108.911 108.800 0.074 0.000 2.175 320 G HA2 -0.206 3.760 3.960 0.011 0.000 0.182 320 G HA3 -0.206 3.760 3.960 0.011 0.000 0.182 320 G C 0.355 175.262 174.900 0.011 0.000 1.003 320 G CA -0.200 44.908 45.100 0.013 0.000 0.666 320 G HN 0.238 nan 8.290 nan 0.000 0.506 321 T N 1.703 116.289 114.554 0.053 0.000 2.728 321 T HA 0.525 4.881 4.350 0.011 0.000 0.296 321 T C 0.146 174.901 174.700 0.091 0.000 0.940 321 T CA -0.270 61.855 62.100 0.041 0.000 1.013 321 T CB 1.821 70.695 68.868 0.011 0.000 0.912 321 T HN 0.544 nan 8.240 nan 0.000 0.484 322 L N 5.334 126.592 121.223 0.058 0.000 2.361 322 L HA 0.358 4.705 4.340 0.011 0.000 0.278 322 L C 0.815 177.729 176.870 0.072 0.000 1.113 322 L CA 0.347 55.236 54.840 0.082 0.000 0.849 322 L CB -0.013 42.067 42.059 0.035 0.000 1.155 322 L HN 0.694 nan 8.230 nan 0.000 0.452 323 I N 3.118 123.743 120.570 0.092 0.000 2.429 323 I HA 0.086 4.263 4.170 0.011 0.000 0.247 323 I C 0.402 176.540 176.117 0.035 0.000 1.099 323 I CA 0.588 61.923 61.300 0.058 0.000 1.422 323 I CB 0.113 38.153 38.000 0.067 0.000 1.112 323 I HN 0.819 nan 8.210 nan 0.000 0.430 324 E N 0.117 120.340 120.200 0.038 0.000 2.409 324 E HA 0.684 5.040 4.350 0.011 0.000 0.280 324 E C -1.596 175.024 176.600 0.034 0.000 1.079 324 E CA -1.050 55.363 56.400 0.022 0.000 0.840 324 E CB 1.626 31.305 29.700 -0.036 0.000 1.309 324 E HN -0.023 nan 8.360 nan 0.000 0.447 325 A N 1.390 124.255 122.820 0.075 0.000 2.449 325 A HA 0.706 5.032 4.320 0.011 0.000 0.302 325 A C -1.064 176.633 177.584 0.188 0.000 1.048 325 A CA -0.737 51.352 52.037 0.086 0.000 0.708 325 A CB 1.735 20.786 19.000 0.086 0.000 1.274 325 A HN 0.504 nan 8.150 nan 0.000 0.410 326 E N -0.238 119.996 120.200 0.058 0.000 2.355 326 E HA 0.877 5.233 4.350 0.011 0.000 0.261 326 E C -0.357 176.293 176.600 0.083 0.000 0.943 326 E CA -0.394 56.096 56.400 0.149 0.000 0.806 326 E CB 2.338 31.975 29.700 -0.105 0.000 1.286 326 E HN 1.268 nan 8.360 nan 0.000 0.424 327 A N -0.303 122.677 122.820 0.266 0.000 2.540 327 A HA 0.734 5.060 4.320 0.011 0.000 0.291 327 A C -1.272 176.518 177.584 0.344 0.000 1.083 327 A CA -0.243 51.892 52.037 0.163 0.000 0.650 327 A CB 0.670 19.681 19.000 0.018 0.000 1.292 327 A HN 0.943 nan 8.150 nan 0.000 0.435 328 C N -0.749 118.704 119.300 0.255 0.000 3.292 328 C HA 0.754 5.221 4.460 0.011 0.000 0.338 328 C C -1.669 173.421 174.990 0.168 0.000 1.323 328 C CA -0.948 58.214 59.018 0.241 0.000 1.232 328 C CB 0.973 28.875 27.740 0.270 0.000 1.517 328 C HN 0.835 nan 8.230 nan 0.000 0.470 329 D N 1.261 121.742 120.400 0.136 0.000 2.304 329 D HA 0.536 5.183 4.640 0.011 0.000 0.250 329 D C -0.318 176.041 176.300 0.099 0.000 1.107 329 D CA 0.168 54.251 54.000 0.137 0.000 0.885 329 D CB 1.927 42.811 40.800 0.140 0.000 1.192 329 D HN 0.561 nan 8.370 nan 0.000 0.436 330 V N 1.168 121.171 119.914 0.148 0.000 2.495 330 V HA 0.640 4.767 4.120 0.011 0.000 0.298 330 V C 0.637 176.820 176.094 0.147 0.000 1.031 330 V CA -0.864 61.476 62.300 0.066 0.000 0.871 330 V CB 1.972 33.813 31.823 0.030 0.000 0.988 330 V HN 0.612 nan 8.190 nan 0.000 0.432 331 G N 3.060 111.840 108.800 -0.034 0.000 2.502 331 G HA2 0.607 4.573 3.960 0.011 0.000 0.311 331 G HA3 0.607 4.573 3.960 0.011 0.000 0.311 331 G C -1.004 173.981 174.900 0.143 0.000 1.270 331 G CA -0.380 44.773 45.100 0.089 0.000 0.948 331 G HN 0.429 nan 8.290 nan 0.000 0.487 332 F N 4.130 124.262 119.950 0.304 0.000 2.434 332 F HA 0.441 4.974 4.527 0.010 0.000 0.358 332 F C 1.126 177.180 175.800 0.424 0.000 1.136 332 F CA -0.177 58.060 58.000 0.395 0.000 1.157 332 F CB 0.650 39.885 39.000 0.393 0.000 1.167 332 F HN 0.445 nan 8.300 nan 0.000 0.539 333 R N 2.939 123.735 120.500 0.493 0.000 2.629 333 R HA 0.395 4.742 4.340 0.011 0.000 0.266 333 R C -1.816 174.629 176.300 0.242 0.000 1.051 333 R CA -0.787 55.440 56.100 0.211 0.000 0.895 333 R CB 1.557 32.015 30.300 0.264 0.000 1.246 333 R HN 0.583 nan 8.270 nan 0.000 0.459 334 E N 2.279 122.527 120.200 0.079 0.000 2.171 334 E HA 0.457 4.814 4.350 0.011 0.000 0.271 334 E C -1.210 175.460 176.600 0.117 0.000 0.916 334 E CA -0.907 55.617 56.400 0.206 0.000 0.774 334 E CB 2.051 31.941 29.700 0.317 0.000 1.128 334 E HN 0.401 nan 8.360 nan 0.000 0.403 335 V N 5.667 125.645 119.914 0.105 0.000 2.409 335 V HA 0.568 4.694 4.120 0.011 0.000 0.291 335 V C -0.251 175.883 176.094 0.066 0.000 1.020 335 V CA -0.606 61.729 62.300 0.058 0.000 0.848 335 V CB 1.203 33.039 31.823 0.023 0.000 0.990 335 V HN 0.744 nan 8.190 nan 0.000 0.430 336 R N 4.316 124.852 120.500 0.059 0.000 2.663 336 R HA 0.706 5.053 4.340 0.011 0.000 0.267 336 R C -2.083 174.244 176.300 0.045 0.000 1.038 336 R CA -0.912 55.225 56.100 0.061 0.000 0.886 336 R CB 1.831 32.181 30.300 0.083 0.000 1.249 336 R HN 0.510 nan 8.270 nan 0.000 0.463 337 I N 1.521 122.117 120.570 0.043 0.000 2.339 337 I HA 0.351 4.527 4.170 0.011 0.000 0.290 337 I C -0.590 175.549 176.117 0.037 0.000 0.994 337 I CA -0.435 60.885 61.300 0.033 0.000 1.191 337 I CB 1.809 39.830 38.000 0.034 0.000 1.343 337 I HN 0.710 nan 8.210 nan 0.000 0.458 338 E N 6.077 126.296 120.200 0.031 0.000 2.278 338 E HA 0.238 4.595 4.350 0.011 0.000 0.272 338 E C -0.319 176.295 176.600 0.024 0.000 0.890 338 E CA -0.546 55.874 56.400 0.033 0.000 0.770 338 E CB 1.047 30.772 29.700 0.042 0.000 1.212 338 E HN 0.555 nan 8.360 nan 0.000 0.415 339 N N 3.250 121.963 118.700 0.022 0.000 2.725 339 N HA -0.227 4.520 4.740 0.011 0.000 0.249 339 N C 0.455 175.972 175.510 0.012 0.000 1.103 339 N CA 2.110 55.170 53.050 0.017 0.000 0.707 339 N CB -1.194 37.302 38.487 0.015 0.000 1.043 339 N HN 0.996 nan 8.380 nan 0.000 0.553 340 G N -2.249 106.559 108.800 0.012 0.000 2.176 340 G HA2 -0.281 3.685 3.960 0.011 0.000 0.253 340 G HA3 -0.281 3.685 3.960 0.011 0.000 0.253 340 G C -0.082 174.814 174.900 -0.006 0.000 0.979 340 G CA 0.482 45.585 45.100 0.005 0.000 0.641 340 G HN 0.458 nan 8.290 nan 0.000 0.530 341 L N 0.238 121.458 121.223 -0.005 0.000 2.346 341 L HA 0.693 5.040 4.340 0.011 0.000 0.276 341 L C 0.107 176.967 176.870 -0.016 0.000 1.006 341 L CA -1.335 53.495 54.840 -0.018 0.000 0.817 341 L CB 1.817 43.866 42.059 -0.017 0.000 1.272 341 L HN 0.092 nan 8.230 nan 0.000 0.421 342 L N 4.675 125.876 121.223 -0.037 0.000 2.315 342 L HA 0.424 4.770 4.340 0.011 0.000 0.283 342 L C -0.773 176.074 176.870 -0.039 0.000 1.089 342 L CA 0.399 55.217 54.840 -0.037 0.000 0.833 342 L CB 0.266 42.288 42.059 -0.062 0.000 1.170 342 L HN 0.380 nan 8.230 nan 0.000 0.442 343 L N 5.838 127.055 121.223 -0.011 0.000 2.334 343 L HA 0.548 4.894 4.340 0.011 0.000 0.276 343 L C -0.848 176.027 176.870 0.009 0.000 1.014 343 L CA -0.873 53.970 54.840 0.004 0.000 0.815 343 L CB 1.900 43.984 42.059 0.041 0.000 1.268 343 L HN 0.523 nan 8.230 nan 0.000 0.428 344 L N 3.829 125.066 121.223 0.023 0.000 2.343 344 L HA 0.489 4.835 4.340 0.011 0.000 0.278 344 L C -0.201 176.674 176.870 0.008 0.000 0.996 344 L CA 0.041 54.902 54.840 0.034 0.000 0.831 344 L CB 0.854 42.953 42.059 0.066 0.000 1.232 344 L HN 0.584 nan 8.230 nan 0.000 0.413 345 N N 4.268 122.845 118.700 -0.205 0.000 2.727 345 N HA -0.219 4.527 4.740 0.011 0.000 0.249 345 N C 0.951 176.085 175.510 -0.627 0.000 1.048 345 N CA 1.307 53.884 53.050 -0.788 0.000 0.714 345 N CB -1.246 36.672 38.487 -0.947 0.000 0.959 345 N HN 1.202 nan 8.380 nan 0.000 0.544 346 G N -1.972 106.787 108.800 -0.067 0.000 2.179 346 G HA2 -0.347 3.619 3.960 0.011 0.000 0.260 346 G HA3 -0.347 3.619 3.960 0.011 0.000 0.260 346 G C -0.076 174.864 174.900 0.067 0.000 0.977 346 G CA 0.881 46.051 45.100 0.117 0.000 0.641 346 G HN 0.415 nan 8.290 nan 0.000 0.533 347 K N 0.926 121.357 120.400 0.051 0.000 2.259 347 K HA 0.510 4.837 4.320 0.011 0.000 0.252 347 K C -2.737 173.848 176.600 -0.024 0.000 0.936 347 K CA -2.228 54.059 56.287 0.000 0.000 0.810 347 K CB 2.613 35.065 32.500 -0.080 0.000 1.143 347 K HN 0.103 nan 8.250 nan 0.000 0.427 348 P HA 0.160 nan 4.420 nan 0.000 0.276 348 P C -0.224 177.016 177.300 -0.099 0.000 1.253 348 P CA -0.173 62.886 63.100 -0.067 0.000 0.766 348 P CB 0.569 32.231 31.700 -0.062 0.000 0.845 349 L N 3.650 124.806 121.223 -0.111 0.000 2.453 349 L HA 0.292 4.638 4.340 0.011 0.000 0.261 349 L C 0.703 177.485 176.870 -0.146 0.000 1.179 349 L CA -0.681 54.078 54.840 -0.136 0.000 0.813 349 L CB 0.410 42.342 42.059 -0.212 0.000 1.110 349 L HN 0.284 nan 8.230 nan 0.000 0.466 350 L N 3.995 125.147 121.223 -0.119 0.000 2.401 350 L HA 0.405 4.752 4.340 0.011 0.000 0.263 350 L C -0.476 176.333 176.870 -0.101 0.000 1.004 350 L CA -0.306 54.446 54.840 -0.146 0.000 0.881 350 L CB 0.775 42.782 42.059 -0.087 0.000 1.219 350 L HN 0.252 nan 8.230 nan 0.000 0.441 351 I N 4.876 125.314 120.570 -0.220 0.000 2.494 351 I HA 0.130 4.306 4.170 0.011 0.000 0.289 351 I C 0.635 176.700 176.117 -0.085 0.000 1.106 351 I CA 0.371 61.552 61.300 -0.199 0.000 1.369 351 I CB 0.020 37.777 38.000 -0.406 0.000 1.410 351 I HN 0.541 nan 8.210 nan 0.000 0.523 352 R N 4.860 125.408 120.500 0.080 0.000 3.070 352 R HA 0.444 4.790 4.340 0.011 0.000 0.252 352 R C 0.545 176.972 176.300 0.211 0.000 1.370 352 R CA -0.274 55.924 56.100 0.162 0.000 1.482 352 R CB 0.877 31.087 30.300 -0.150 0.000 1.220 352 R HN 0.764 nan 8.270 nan 0.000 0.622 353 G N 0.034 108.921 108.800 0.146 0.000 2.667 353 G HA2 0.621 4.587 3.960 0.011 0.000 0.310 353 G HA3 0.621 4.587 3.960 0.011 0.000 0.310 353 G C -1.302 173.928 174.900 0.550 0.000 1.259 353 G CA -0.473 44.749 45.100 0.205 0.000 1.019 353 G HN 0.211 nan 8.290 nan 0.000 0.496 354 V N -0.266 119.953 119.914 0.508 0.000 3.048 354 V HA 0.442 4.568 4.120 0.011 0.000 0.303 354 V C -1.263 174.977 176.094 0.243 0.000 1.214 354 V CA -1.184 61.293 62.300 0.294 0.000 0.984 354 V CB 2.208 33.911 31.823 -0.200 0.000 1.054 354 V HN 0.763 nan 8.190 nan 0.000 0.430 355 N N 4.165 122.944 118.700 0.132 0.000 2.514 355 N HA 0.432 5.179 4.740 0.011 0.000 0.277 355 N C -0.694 174.664 175.510 -0.253 0.000 1.126 355 N CA -0.268 52.736 53.050 -0.075 0.000 0.978 355 N CB 1.447 39.912 38.487 -0.038 0.000 1.106 355 N HN 0.623 nan 8.380 nan 0.000 0.461 356 R N 2.099 122.404 120.500 -0.325 0.000 2.502 356 R HA 0.213 4.559 4.340 0.011 0.000 0.298 356 R C -0.988 175.093 176.300 -0.365 0.000 1.018 356 R CA -0.561 55.353 56.100 -0.310 0.000 0.899 356 R CB 0.726 30.807 30.300 -0.365 0.000 1.181 356 R HN 0.577 nan 8.270 nan 0.000 0.444 357 H N 2.097 121.026 119.070 -0.235 0.000 2.505 357 H HA 0.169 4.731 4.556 0.011 0.000 0.355 357 H C -0.483 174.840 175.328 -0.009 0.000 1.179 357 H CA -0.014 55.974 56.048 -0.100 0.000 1.343 357 H CB 1.483 31.232 29.762 -0.022 0.000 1.501 357 H HN 0.573 nan 8.280 nan 0.000 0.569 358 E N 1.928 122.318 120.200 0.317 0.000 2.001 358 E HA 0.130 4.487 4.350 0.011 0.000 0.279 358 E C -0.700 176.046 176.600 0.244 0.000 1.045 358 E CA -0.087 56.421 56.400 0.180 0.000 0.833 358 E CB 0.482 30.297 29.700 0.192 0.000 1.077 358 E HN 0.390 nan 8.360 nan 0.000 0.397 359 H N 1.653 120.780 119.070 0.095 0.000 2.894 359 H HA 0.293 4.856 4.556 0.011 0.000 0.367 359 H C -1.689 173.698 175.328 0.097 0.000 1.144 359 H CA -0.656 55.445 56.048 0.087 0.000 1.180 359 H CB 1.271 31.072 29.762 0.065 0.000 1.758 359 H HN 0.415 nan 8.280 nan 0.000 0.541 360 H N 5.951 124.578 119.070 -0.739 0.000 2.877 360 H HA 0.200 4.762 4.556 0.011 0.000 0.347 360 H C -2.357 172.547 175.328 -0.706 0.000 1.042 360 H CA -2.226 53.518 56.048 -0.506 0.000 1.276 360 H CB 2.840 32.465 29.762 -0.227 0.000 1.681 360 H HN 0.542 nan 8.280 nan 0.000 0.521 361 P HA -0.104 nan 4.420 nan 0.000 0.219 361 P C 1.070 178.255 177.300 -0.191 0.000 1.146 361 P CA 0.924 63.837 63.100 -0.311 0.000 0.808 361 P CB 0.860 32.408 31.700 -0.253 0.000 0.779 362 L N -1.839 119.376 121.223 -0.013 0.000 2.362 362 L HA 0.126 4.473 4.340 0.011 0.000 0.204 362 L C 2.224 179.029 176.870 -0.109 0.000 1.060 362 L CA 0.619 55.401 54.840 -0.095 0.000 0.827 362 L CB -0.762 41.174 42.059 -0.205 0.000 1.027 362 L HN -0.011 nan 8.230 nan 0.000 0.474 363 H N -0.315 118.751 119.070 -0.007 0.000 2.551 363 H HA 0.282 4.844 4.556 0.011 0.000 0.271 363 H C 1.448 176.678 175.328 -0.163 0.000 0.984 363 H CA 0.099 56.041 56.048 -0.178 0.000 1.164 363 H CB 0.438 29.975 29.762 -0.374 0.000 1.437 363 H HN 0.393 nan 8.280 nan 0.000 0.550 364 G N 1.673 110.411 108.800 -0.103 0.000 2.557 364 G HA2 -0.392 3.575 3.960 0.011 0.000 0.292 364 G HA3 -0.392 3.575 3.960 0.011 0.000 0.292 364 G C 0.720 175.562 174.900 -0.096 0.000 1.162 364 G CA 0.420 45.416 45.100 -0.173 0.000 0.964 364 G HN 0.482 nan 8.290 nan 0.000 0.541 365 Q N 0.026 119.792 119.800 -0.056 0.000 2.220 365 Q HA 0.448 4.794 4.340 0.011 0.000 0.205 365 Q C 0.322 176.425 176.000 0.173 0.000 0.865 365 Q CA -0.081 55.738 55.803 0.026 0.000 0.960 365 Q CB 1.341 30.000 28.738 -0.132 0.000 1.097 365 Q HN 0.353 nan 8.270 nan 0.000 0.493 366 V N 2.248 122.229 119.914 0.112 0.000 2.488 366 V HA 0.148 4.275 4.120 0.011 0.000 0.277 366 V C 0.176 176.307 176.094 0.061 0.000 1.046 366 V CA 0.166 62.526 62.300 0.101 0.000 0.986 366 V CB 0.912 32.729 31.823 -0.010 0.000 0.989 366 V HN 0.316 nan 8.190 nan 0.000 0.475 367 M N 5.398 125.036 119.600 0.064 0.000 2.472 367 M HA 0.505 4.992 4.480 0.011 0.000 0.331 367 M C -0.391 175.856 176.300 -0.089 0.000 1.170 367 M CA -0.574 54.724 55.300 -0.004 0.000 1.009 367 M CB 1.772 34.349 32.600 -0.039 0.000 1.672 367 M HN 0.828 nan 8.290 nan 0.000 0.453 368 D N 0.319 120.677 120.400 -0.071 0.000 2.490 368 D HA 0.224 4.870 4.640 0.011 0.000 0.232 368 D C 0.120 176.392 176.300 -0.047 0.000 1.053 368 D CA -0.455 53.504 54.000 -0.068 0.000 0.914 368 D CB 1.912 42.702 40.800 -0.017 0.000 1.431 368 D HN 0.712 nan 8.370 nan 0.000 0.483 369 E N 0.416 120.598 120.200 -0.029 0.000 2.085 369 E HA -0.300 4.057 4.350 0.011 0.000 0.194 369 E C 1.816 178.452 176.600 0.060 0.000 0.994 369 E CA 1.441 57.854 56.400 0.021 0.000 0.801 369 E CB 0.152 29.882 29.700 0.050 0.000 0.743 369 E HN 0.576 nan 8.360 nan 0.000 0.453 370 Q N -0.363 119.475 119.800 0.064 0.000 2.061 370 Q HA -0.175 4.172 4.340 0.011 0.000 0.204 370 Q C 2.000 178.057 176.000 0.096 0.000 0.984 370 Q CA 2.395 58.247 55.803 0.081 0.000 0.846 370 Q CB -0.060 28.728 28.738 0.084 0.000 0.902 370 Q HN 0.265 nan 8.270 nan 0.000 0.421 371 T N 0.656 115.277 114.554 0.112 0.000 2.821 371 T HA -0.098 4.258 4.350 0.011 0.000 0.267 371 T C 1.776 176.557 174.700 0.135 0.000 1.046 371 T CA 1.391 63.575 62.100 0.139 0.000 1.139 371 T CB -0.116 68.868 68.868 0.194 0.000 0.871 371 T HN 0.303 nan 8.240 nan 0.000 0.454 372 M N 0.510 120.188 119.600 0.131 0.000 2.117 372 M HA -0.075 4.411 4.480 0.011 0.000 0.262 372 M C 2.437 178.846 176.300 0.182 0.000 1.065 372 M CA 1.234 56.677 55.300 0.237 0.000 1.114 372 M CB -0.489 32.279 32.600 0.280 0.000 1.361 372 M HN 0.093 nan 8.290 nan 0.000 0.408 373 V N 0.288 120.249 119.914 0.077 0.000 2.343 373 V HA -0.297 3.830 4.120 0.011 0.000 0.247 373 V C 2.314 178.383 176.094 -0.041 0.000 1.051 373 V CA 2.080 64.357 62.300 -0.039 0.000 1.036 373 V CB -0.854 30.980 31.823 0.018 0.000 0.654 373 V HN 0.568 nan 8.190 nan 0.000 0.451 374 Q N -0.298 119.532 119.800 0.050 0.000 2.084 374 Q HA -0.262 4.084 4.340 0.011 0.000 0.202 374 Q C 1.933 178.004 176.000 0.117 0.000 0.978 374 Q CA 2.087 57.938 55.803 0.081 0.000 0.844 374 Q CB -0.133 28.670 28.738 0.108 0.000 0.898 374 Q HN 0.610 nan 8.270 nan 0.000 0.426 375 D N 0.464 120.952 120.400 0.147 0.000 2.097 375 D HA -0.136 4.511 4.640 0.011 0.000 0.195 375 D C 1.944 178.210 176.300 -0.056 0.000 0.989 375 D CA 1.155 55.249 54.000 0.157 0.000 0.827 375 D CB -0.186 40.690 40.800 0.127 0.000 0.966 375 D HN 0.363 nan 8.370 nan 0.000 0.456 376 I N 0.674 121.194 120.570 -0.084 0.000 2.286 376 I HA -0.236 3.940 4.170 0.011 0.000 0.248 376 I C 2.388 178.377 176.117 -0.213 0.000 1.115 376 I CA 0.648 61.799 61.300 -0.249 0.000 1.392 376 I CB -0.129 37.596 38.000 -0.459 0.000 1.065 376 I HN 0.005 nan 8.210 nan 0.000 0.418 377 L N 0.068 121.206 121.223 -0.142 0.000 2.027 377 L HA -0.211 4.135 4.340 0.011 0.000 0.206 377 L C 2.546 179.485 176.870 0.115 0.000 1.074 377 L CA 1.342 56.185 54.840 0.004 0.000 0.745 377 L CB -0.586 41.492 42.059 0.030 0.000 0.898 377 L HN 0.266 nan 8.230 nan 0.000 0.433 378 L N -0.937 120.375 121.223 0.149 0.000 2.083 378 L HA -0.231 4.115 4.340 0.011 0.000 0.209 378 L C 2.675 179.713 176.870 0.280 0.000 1.083 378 L CA 1.295 56.303 54.840 0.281 0.000 0.752 378 L CB -0.334 41.992 42.059 0.444 0.000 0.899 378 L HN 0.304 nan 8.230 nan 0.000 0.433 379 M N -0.576 119.030 119.600 0.011 0.000 2.067 379 M HA -0.215 4.271 4.480 0.011 0.000 0.260 379 M C 2.291 178.673 176.300 0.136 0.000 1.069 379 M CA 1.841 57.081 55.300 -0.099 0.000 1.117 379 M CB -0.285 32.031 32.600 -0.474 0.000 1.334 379 M HN 0.065 nan 8.290 nan 0.000 0.407 380 K N -0.063 120.321 120.400 -0.026 0.000 2.097 380 K HA -0.162 4.165 4.320 0.011 0.000 0.205 380 K C 1.951 178.527 176.600 -0.040 0.000 1.050 380 K CA 1.185 57.347 56.287 -0.209 0.000 0.938 380 K CB -0.176 31.983 32.500 -0.567 0.000 0.718 380 K HN 0.424 nan 8.250 nan 0.000 0.442 381 Q N 0.357 120.306 119.800 0.249 0.000 2.291 381 Q HA -0.039 4.307 4.340 0.011 0.000 0.205 381 Q C 0.657 176.960 176.000 0.505 0.000 0.970 381 Q CA 0.755 56.827 55.803 0.448 0.000 0.876 381 Q CB 0.183 29.148 28.738 0.378 0.000 0.935 381 Q HN 0.246 nan 8.270 nan 0.000 0.455 382 N N 0.675 119.621 118.700 0.409 0.000 2.389 382 N HA 0.063 4.809 4.740 0.011 0.000 0.260 382 N C -0.776 174.854 175.510 0.200 0.000 1.191 382 N CA 0.004 53.288 53.050 0.389 0.000 0.885 382 N CB 0.708 39.503 38.487 0.513 0.000 1.162 382 N HN 0.144 nan 8.380 nan 0.000 0.512 383 N N 0.305 119.124 118.700 0.199 0.000 2.725 383 N HA -0.202 4.544 4.740 0.011 0.000 0.249 383 N C -0.920 174.535 175.510 -0.091 0.000 1.103 383 N CA 0.911 54.037 53.050 0.127 0.000 0.707 383 N CB -1.737 36.738 38.487 -0.019 0.000 1.043 383 N HN 0.290 nan 8.380 nan 0.000 0.553 384 F N 0.880 120.858 119.950 0.045 0.000 2.399 384 F HA 0.317 4.850 4.527 0.010 0.000 0.334 384 F C 1.680 177.483 175.800 0.004 0.000 1.097 384 F CA -0.718 57.292 58.000 0.017 0.000 1.076 384 F CB 0.988 39.975 39.000 -0.021 0.000 1.162 384 F HN 0.038 nan 8.300 nan 0.000 0.495 385 N N 0.933 119.760 118.700 0.213 0.000 2.160 385 N HA 0.435 5.182 4.740 0.011 0.000 0.226 385 N C -0.879 174.709 175.510 0.130 0.000 1.256 385 N CA -0.046 53.065 53.050 0.102 0.000 0.890 385 N CB 0.781 39.376 38.487 0.179 0.000 1.116 385 N HN 0.459 nan 8.380 nan 0.000 0.517 386 A N -0.515 122.447 122.820 0.237 0.000 2.594 386 A HA 0.753 5.079 4.320 0.011 0.000 0.295 386 A C -1.779 176.055 177.584 0.417 0.000 1.071 386 A CA -0.713 51.531 52.037 0.346 0.000 0.685 386 A CB 1.866 21.099 19.000 0.388 0.000 1.285 386 A HN 0.232 nan 8.150 nan 0.000 0.405 387 V N 1.332 121.531 119.914 0.476 0.000 2.808 387 V HA 0.769 4.895 4.120 0.011 0.000 0.308 387 V C -0.636 175.573 176.094 0.193 0.000 1.099 387 V CA -0.688 61.830 62.300 0.364 0.000 0.920 387 V CB 1.866 33.833 31.823 0.240 0.000 1.014 387 V HN 1.100 nan 8.190 nan 0.000 0.425 388 R N 5.049 125.488 120.500 -0.101 0.000 2.294 388 R HA 0.471 4.817 4.340 0.011 0.000 0.319 388 R C -0.666 175.482 176.300 -0.254 0.000 0.984 388 R CA -0.463 55.399 56.100 -0.397 0.000 0.861 388 R CB 1.009 30.834 30.300 -0.792 0.000 1.104 388 R HN 0.815 nan 8.270 nan 0.000 0.451 389 C N 4.473 123.662 119.300 -0.185 0.000 3.183 389 C HA 0.102 4.569 4.460 0.011 0.000 0.545 389 C C 0.597 175.327 174.990 -0.434 0.000 1.044 389 C CA -0.435 58.435 59.018 -0.246 0.000 1.117 389 C CB -2.073 25.640 27.740 -0.045 0.000 1.393 389 C HN 0.726 nan 8.230 nan 0.000 0.611 390 S N 1.457 116.774 115.700 -0.638 0.000 2.443 390 S HA 0.173 4.649 4.470 0.011 0.000 0.284 390 S C -0.099 173.620 174.600 -1.470 0.000 1.206 390 S CA 0.172 57.718 58.200 -1.089 0.000 1.074 390 S CB 0.044 62.529 63.200 -1.192 0.000 0.963 390 S HN 0.730 nan 8.310 nan 0.000 0.501 391 H N 3.802 122.255 119.070 -1.029 0.000 2.511 391 H HA 0.305 4.867 4.556 0.011 0.000 0.228 391 H C -1.153 174.044 175.328 -0.219 0.000 1.424 391 H CA -0.346 55.477 56.048 -0.374 0.000 1.321 391 H CB -0.102 29.630 29.762 -0.049 0.000 1.720 391 H HN 0.885 nan 8.280 nan 0.000 0.512 392 Y N -2.869 117.536 120.300 0.175 0.000 2.732 392 Y HA 0.436 4.993 4.550 0.011 0.000 0.342 392 Y C -3.364 172.644 175.900 0.181 0.000 1.203 392 Y CA -3.245 54.965 58.100 0.184 0.000 1.092 392 Y CB -0.008 38.568 38.460 0.193 0.000 1.345 392 Y HN -0.106 nan 8.280 nan 0.000 0.458 393 P HA 0.204 nan 4.420 nan 0.000 0.268 393 P C -0.731 176.857 177.300 0.479 0.000 1.205 393 P CA 0.257 63.611 63.100 0.422 0.000 0.771 393 P CB 0.621 32.496 31.700 0.291 0.000 0.858 394 N N 0.570 119.563 118.700 0.489 0.000 2.448 394 N HA 0.118 4.864 4.740 0.011 0.000 0.274 394 N C -0.115 175.614 175.510 0.366 0.000 1.239 394 N CA -0.405 52.839 53.050 0.323 0.000 0.982 394 N CB 0.002 38.476 38.487 -0.022 0.000 1.199 394 N HN 0.477 nan 8.380 nan 0.000 0.576 395 H N 2.264 121.424 119.070 0.149 0.000 3.034 395 H HA 0.002 4.564 4.556 0.011 0.000 0.324 395 H C -1.517 173.962 175.328 0.252 0.000 1.015 395 H CA -0.849 55.276 56.048 0.128 0.000 1.429 395 H CB 0.817 30.622 29.762 0.072 0.000 1.429 395 H HN 0.406 nan 8.280 nan 0.000 0.585 396 P HA -0.234 nan 4.420 nan 0.000 0.217 396 P C 1.780 179.371 177.300 0.485 0.000 1.151 396 P CA 0.817 64.143 63.100 0.377 0.000 0.849 396 P CB 0.251 32.028 31.700 0.129 0.000 0.787 397 L N -0.900 120.689 121.223 0.611 0.000 2.191 397 L HA -0.064 4.283 4.340 0.011 0.000 0.212 397 L C 2.443 179.468 176.870 0.260 0.000 1.103 397 L CA 1.361 56.432 54.840 0.386 0.000 0.769 397 L CB -1.522 40.712 42.059 0.291 0.000 0.908 397 L HN 0.038 nan 8.230 nan 0.000 0.438 398 W N -0.519 120.802 121.300 0.035 0.000 2.338 398 W HA -0.324 4.342 4.660 0.010 0.000 0.304 398 W C 2.048 178.402 176.519 -0.274 0.000 1.212 398 W CA 1.901 59.131 57.345 -0.192 0.000 1.264 398 W CB -0.355 28.886 29.460 -0.365 0.000 1.142 398 W HN 0.270 nan 8.180 nan 0.000 0.512 399 Y N 0.687 120.918 120.300 -0.115 0.000 2.242 399 Y HA -0.190 4.367 4.550 0.010 0.000 0.291 399 Y C 2.863 178.546 175.900 -0.361 0.000 1.137 399 Y CA 2.110 59.943 58.100 -0.445 0.000 1.181 399 Y CB -1.244 36.659 38.460 -0.928 0.000 0.989 399 Y HN -0.230 nan 8.280 nan 0.000 0.527 400 T N 0.651 115.211 114.554 0.009 0.000 2.746 400 T HA -0.154 4.203 4.350 0.011 0.000 0.267 400 T C 1.993 176.733 174.700 0.065 0.000 1.039 400 T CA 1.367 63.551 62.100 0.140 0.000 1.142 400 T CB -0.521 68.477 68.868 0.217 0.000 0.866 400 T HN 0.232 nan 8.240 nan 0.000 0.444 401 L N 0.250 121.467 121.223 -0.011 0.000 2.093 401 L HA -0.083 4.264 4.340 0.011 0.000 0.208 401 L C 2.833 179.684 176.870 -0.031 0.000 1.085 401 L CA 0.856 55.715 54.840 0.032 0.000 0.755 401 L CB -0.653 41.373 42.059 -0.055 0.000 0.904 401 L HN 0.367 nan 8.230 nan 0.000 0.435 402 C N -0.233 118.886 119.300 -0.302 0.000 2.435 402 C HA -0.125 4.341 4.460 0.011 0.000 0.279 402 C C 2.399 177.439 174.990 0.083 0.000 1.321 402 C CA 0.359 59.232 59.018 -0.242 0.000 1.752 402 C CB -0.757 26.722 27.740 -0.435 0.000 1.959 402 C HN 0.538 nan 8.230 nan 0.000 0.500 403 D N 0.574 121.035 120.400 0.103 0.000 2.117 403 D HA -0.089 4.558 4.640 0.011 0.000 0.198 403 D C 2.378 178.903 176.300 0.375 0.000 0.982 403 D CA 1.178 55.322 54.000 0.239 0.000 0.828 403 D CB -0.342 40.546 40.800 0.146 0.000 0.967 403 D HN 0.536 nan 8.370 nan 0.000 0.464 404 R N -0.913 119.693 120.500 0.177 0.000 2.100 404 R HA 0.004 4.351 4.340 0.011 0.000 0.220 404 R C 2.038 178.301 176.300 -0.062 0.000 1.091 404 R CA 0.547 56.680 56.100 0.054 0.000 0.986 404 R CB -0.126 30.135 30.300 -0.065 0.000 0.888 404 R HN 0.253 nan 8.270 nan 0.000 0.444 405 Y N 0.018 120.330 120.300 0.019 0.000 2.448 405 Y HA 0.198 4.754 4.550 0.010 0.000 0.289 405 Y C 1.024 176.852 175.900 -0.119 0.000 1.114 405 Y CA 0.865 58.947 58.100 -0.029 0.000 1.235 405 Y CB 0.579 38.996 38.460 -0.073 0.000 1.045 405 Y HN 0.227 nan 8.280 nan 0.000 0.554 406 G N 1.133 109.958 108.800 0.043 0.000 2.830 406 G HA2 -0.138 3.829 3.960 0.011 0.000 0.298 406 G HA3 -0.138 3.829 3.960 0.011 0.000 0.298 406 G C -1.162 173.578 174.900 -0.267 0.000 1.031 406 G CA -0.501 44.490 45.100 -0.181 0.000 1.179 406 G HN 0.163 nan 8.290 nan 0.000 0.527 407 L N 1.340 122.480 121.223 -0.138 0.000 2.482 407 L HA 0.476 4.823 4.340 0.011 0.000 0.263 407 L C -0.382 176.487 176.870 -0.002 0.000 0.957 407 L CA -1.360 53.371 54.840 -0.181 0.000 0.836 407 L CB 1.863 43.840 42.059 -0.137 0.000 1.324 407 L HN 0.377 nan 8.230 nan 0.000 0.406 408 Y N 2.008 122.439 120.300 0.218 0.000 2.359 408 Y HA 0.374 4.931 4.550 0.012 0.000 0.330 408 Y C 0.287 176.322 175.900 0.225 0.000 1.143 408 Y CA -0.454 57.807 58.100 0.269 0.000 1.318 408 Y CB 1.009 39.607 38.460 0.230 0.000 1.234 408 Y HN 0.109 nan 8.280 nan 0.000 0.522 409 V N 3.999 124.109 119.914 0.327 0.000 2.604 409 V HA 0.414 4.541 4.120 0.011 0.000 0.305 409 V C -0.668 175.514 176.094 0.146 0.000 1.043 409 V CA -1.076 61.359 62.300 0.224 0.000 0.888 409 V CB 2.061 33.990 31.823 0.177 0.000 0.995 409 V HN 0.449 nan 8.190 nan 0.000 0.429 410 V N 3.183 123.151 119.914 0.090 0.000 2.328 410 V HA 0.333 4.459 4.120 0.011 0.000 0.278 410 V C -0.349 175.780 176.094 0.059 0.000 1.021 410 V CA -0.387 61.916 62.300 0.005 0.000 0.838 410 V CB 1.439 33.163 31.823 -0.164 0.000 0.999 410 V HN 0.875 nan 8.190 nan 0.000 0.447 411 D N 4.212 124.680 120.400 0.114 0.000 2.295 411 D HA 0.287 4.933 4.640 0.011 0.000 0.248 411 D C -0.183 176.299 176.300 0.305 0.000 1.154 411 D CA 0.007 54.169 54.000 0.270 0.000 0.857 411 D CB 1.205 42.195 40.800 0.318 0.000 1.117 411 D HN 0.675 nan 8.370 nan 0.000 0.468 412 E N 1.859 122.206 120.200 0.245 0.000 2.187 412 E HA 0.617 4.973 4.350 0.011 0.000 0.268 412 E C -0.974 175.764 176.600 0.229 0.000 0.896 412 E CA -1.074 55.458 56.400 0.219 0.000 0.766 412 E CB 1.357 31.140 29.700 0.138 0.000 1.142 412 E HN 0.467 nan 8.360 nan 0.000 0.408 413 A N 3.773 126.720 122.820 0.211 0.000 2.445 413 A HA 0.050 4.376 4.320 0.011 0.000 0.242 413 A C 0.310 178.018 177.584 0.206 0.000 1.075 413 A CA -0.220 51.922 52.037 0.175 0.000 0.777 413 A CB 0.135 19.202 19.000 0.111 0.000 1.013 413 A HN 0.693 nan 8.150 nan 0.000 0.493 414 N N 1.363 120.195 118.700 0.220 0.000 2.971 414 N HA 0.249 4.995 4.740 0.011 0.000 0.294 414 N C -1.025 174.614 175.510 0.214 0.000 1.210 414 N CA 0.246 53.461 53.050 0.274 0.000 1.157 414 N CB -0.830 37.821 38.487 0.272 0.000 1.450 414 N HN 0.475 nan 8.380 nan 0.000 0.527 415 I N 1.134 121.823 120.570 0.199 0.000 2.531 415 I HA 0.244 4.420 4.170 0.011 0.000 0.283 415 I C -0.683 175.530 176.117 0.160 0.000 1.083 415 I CA -0.601 60.797 61.300 0.163 0.000 1.071 415 I CB 1.664 39.733 38.000 0.116 0.000 1.210 415 I HN 0.262 nan 8.210 nan 0.000 0.450 416 E N 4.320 124.610 120.200 0.150 0.000 2.287 416 E HA 0.372 4.729 4.350 0.011 0.000 0.274 416 E C -0.559 176.101 176.600 0.101 0.000 0.896 416 E CA -0.511 55.949 56.400 0.099 0.000 0.788 416 E CB 1.606 31.345 29.700 0.066 0.000 1.244 416 E HN 0.558 nan 8.360 nan 0.000 0.408 417 T N 0.717 115.321 114.554 0.084 0.000 3.374 417 T HA 0.164 4.520 4.350 0.011 0.000 0.267 417 T C 0.890 175.629 174.700 0.065 0.000 0.996 417 T CA -0.304 61.873 62.100 0.128 0.000 0.977 417 T CB -0.302 68.625 68.868 0.099 0.000 1.149 417 T HN 0.679 nan 8.240 nan 0.000 0.517 418 H N 1.251 120.229 119.070 -0.153 0.000 2.357 418 H HA -0.096 4.467 4.556 0.011 0.000 0.296 418 H C 2.346 177.541 175.328 -0.223 0.000 1.108 418 H CA 1.432 57.359 56.048 -0.202 0.000 1.273 418 H CB -0.235 29.372 29.762 -0.259 0.000 1.367 418 H HN 0.587 nan 8.280 nan 0.000 0.498 419 G N 0.329 108.966 108.800 -0.270 0.000 2.559 419 G HA2 -0.096 3.870 3.960 0.011 0.000 0.216 419 G HA3 -0.096 3.870 3.960 0.011 0.000 0.216 419 G C 0.555 175.545 174.900 0.149 0.000 1.126 419 G CA -0.036 44.934 45.100 -0.218 0.000 0.778 419 G HN 0.160 nan 8.290 nan 0.000 0.543 420 M N 0.276 120.013 119.600 0.229 0.000 2.232 420 M HA 0.306 4.792 4.480 0.011 0.000 0.321 420 M C -0.378 175.956 176.300 0.056 0.000 1.101 420 M CA -0.190 55.203 55.300 0.156 0.000 1.181 420 M CB 1.362 34.012 32.600 0.082 0.000 1.432 420 M HN -0.197 nan 8.290 nan 0.000 0.457 421 V N 4.172 124.100 119.914 0.022 0.000 2.462 421 V HA 0.341 4.467 4.120 0.011 0.000 0.288 421 V C -1.921 174.166 176.094 -0.012 0.000 1.020 421 V CA -1.258 61.041 62.300 -0.002 0.000 0.857 421 V CB 1.740 33.558 31.823 -0.008 0.000 1.013 421 V HN 0.743 nan 8.190 nan 0.000 0.431 422 P HA 0.234 nan 4.420 nan 0.000 0.275 422 P C 1.008 178.307 177.300 -0.000 0.000 1.266 422 P CA -0.511 62.583 63.100 -0.010 0.000 0.793 422 P CB 1.163 32.858 31.700 -0.009 0.000 1.074 423 M N 0.647 120.250 119.600 0.005 0.000 2.267 423 M HA -0.172 4.315 4.480 0.011 0.000 0.263 423 M C 1.227 177.546 176.300 0.032 0.000 1.063 423 M CA 1.782 57.094 55.300 0.020 0.000 1.090 423 M CB -0.467 32.132 32.600 -0.002 0.000 1.392 423 M HN 0.379 nan 8.290 nan 0.000 0.422 424 N N -0.229 118.490 118.700 0.032 0.000 2.276 424 N HA -0.060 4.687 4.740 0.011 0.000 0.212 424 N C 1.111 176.607 175.510 -0.023 0.000 1.127 424 N CA 0.107 53.181 53.050 0.040 0.000 0.834 424 N CB -0.678 37.852 38.487 0.071 0.000 1.014 424 N HN 0.352 nan 8.380 nan 0.000 0.491 425 R N 0.366 120.837 120.500 -0.048 0.000 2.117 425 R HA 0.005 4.351 4.340 0.011 0.000 0.243 425 R C 1.383 177.592 176.300 -0.152 0.000 1.143 425 R CA 1.321 57.370 56.100 -0.084 0.000 0.968 425 R CB 0.004 30.252 30.300 -0.088 0.000 0.863 425 R HN 0.287 nan 8.270 nan 0.000 0.444 426 L N -0.835 120.240 121.223 -0.247 0.000 2.221 426 L HA 0.009 4.356 4.340 0.011 0.000 0.202 426 L C 2.467 179.209 176.870 -0.215 0.000 1.074 426 L CA 1.203 55.780 54.840 -0.439 0.000 0.795 426 L CB -0.508 41.048 42.059 -0.837 0.000 0.960 426 L HN 0.327 nan 8.230 nan 0.000 0.458 427 T N -4.029 110.430 114.554 -0.160 0.000 3.007 427 T HA -0.185 4.171 4.350 0.011 0.000 0.270 427 T C 1.251 175.866 174.700 -0.141 0.000 1.107 427 T CA 1.413 63.402 62.100 -0.184 0.000 1.118 427 T CB -0.240 68.491 68.868 -0.228 0.000 0.889 427 T HN 0.154 nan 8.240 nan 0.000 0.506 428 D N 0.841 121.195 120.400 -0.077 0.000 2.369 428 D HA 0.083 4.730 4.640 0.011 0.000 0.211 428 D C -0.175 176.110 176.300 -0.026 0.000 1.077 428 D CA -0.231 53.734 54.000 -0.058 0.000 0.842 428 D CB -0.052 40.720 40.800 -0.047 0.000 0.947 428 D HN 0.271 nan 8.370 nan 0.000 0.509 429 D N 0.321 120.724 120.400 0.004 0.000 2.359 429 D HA 0.090 4.736 4.640 0.011 0.000 0.230 429 D C -1.521 174.834 176.300 0.091 0.000 1.118 429 D CA -2.148 51.893 54.000 0.069 0.000 0.844 429 D CB 1.831 42.723 40.800 0.153 0.000 1.059 429 D HN 0.039 nan 8.370 nan 0.000 0.493 430 P HA -0.161 nan 4.420 nan 0.000 0.220 430 P C 0.919 178.221 177.300 0.002 0.000 1.144 430 P CA 0.746 63.854 63.100 0.014 0.000 0.800 430 P CB 0.354 32.052 31.700 -0.003 0.000 0.772 431 R N -1.775 118.732 120.500 0.013 0.000 2.235 431 R HA -0.055 4.292 4.340 0.011 0.000 0.213 431 R C 1.507 177.675 176.300 -0.219 0.000 1.059 431 R CA 1.038 57.077 56.100 -0.102 0.000 0.997 431 R CB -0.475 29.754 30.300 -0.119 0.000 0.884 431 R HN 0.342 nan 8.270 nan 0.000 0.462 432 W N -0.099 121.150 121.300 -0.085 0.000 3.220 432 W HA 0.144 4.810 4.660 0.010 0.000 0.328 432 W C 1.450 177.915 176.519 -0.091 0.000 1.205 432 W CA -0.537 56.758 57.345 -0.085 0.000 1.773 432 W CB 0.083 29.491 29.460 -0.086 0.000 1.086 432 W HN -0.011 nan 8.180 nan 0.000 0.622 433 L N 2.033 123.285 121.223 0.049 0.000 2.046 433 L HA -0.014 4.333 4.340 0.011 0.000 0.208 433 L C -0.695 176.144 176.870 -0.052 0.000 1.077 433 L CA 2.171 57.003 54.840 -0.014 0.000 0.747 433 L CB -1.599 40.440 42.059 -0.034 0.000 0.896 433 L HN -0.229 nan 8.230 nan 0.000 0.432 434 P HA -0.154 nan 4.420 nan 0.000 0.214 434 P C 1.628 178.880 177.300 -0.081 0.000 1.163 434 P CA 2.153 65.195 63.100 -0.096 0.000 0.883 434 P CB -0.190 31.441 31.700 -0.115 0.000 0.788 435 A N -1.162 121.625 122.820 -0.055 0.000 1.902 435 A HA -0.211 4.115 4.320 0.011 0.000 0.217 435 A C 2.223 179.826 177.584 0.032 0.000 1.181 435 A CA 1.976 54.017 52.037 0.006 0.000 0.623 435 A CB -1.470 17.573 19.000 0.072 0.000 0.818 435 A HN 0.109 nan 8.150 nan 0.000 0.443 436 M N 0.192 119.816 119.600 0.040 0.000 2.132 436 M HA -0.144 4.343 4.480 0.011 0.000 0.263 436 M C 2.556 178.804 176.300 -0.086 0.000 1.065 436 M CA 1.766 57.064 55.300 -0.002 0.000 1.122 436 M CB -0.377 32.206 32.600 -0.029 0.000 1.365 436 M HN 0.656 nan 8.290 nan 0.000 0.411 437 S N 0.286 115.903 115.700 -0.137 0.000 2.383 437 S HA -0.170 4.306 4.470 0.011 0.000 0.229 437 S C 1.600 176.025 174.600 -0.291 0.000 1.030 437 S CA 1.348 59.395 58.200 -0.255 0.000 1.002 437 S CB -0.633 62.395 63.200 -0.288 0.000 0.829 437 S HN 0.510 nan 8.310 nan 0.000 0.467 438 E N 1.187 121.272 120.200 -0.192 0.000 2.150 438 E HA -0.069 4.288 4.350 0.011 0.000 0.193 438 E C 2.371 178.886 176.600 -0.141 0.000 0.985 438 E CA 0.836 57.132 56.400 -0.174 0.000 0.814 438 E CB -0.161 29.474 29.700 -0.108 0.000 0.752 438 E HN 0.587 nan 8.360 nan 0.000 0.466 439 R N 0.221 120.669 120.500 -0.088 0.000 2.148 439 R HA -0.046 4.300 4.340 0.011 0.000 0.223 439 R C 2.232 178.494 176.300 -0.064 0.000 1.088 439 R CA 0.508 56.586 56.100 -0.035 0.000 0.985 439 R CB 0.110 30.428 30.300 0.029 0.000 0.880 439 R HN 0.003 nan 8.270 nan 0.000 0.451 440 V N -0.004 119.825 119.914 -0.142 0.000 2.374 440 V HA -0.169 3.958 4.120 0.011 0.000 0.241 440 V C 2.471 178.390 176.094 -0.292 0.000 1.034 440 V CA 2.070 64.266 62.300 -0.175 0.000 1.037 440 V CB -0.232 31.481 31.823 -0.184 0.000 0.682 440 V HN 0.490 nan 8.190 nan 0.000 0.463 441 T N -0.488 113.757 114.554 -0.514 0.000 2.720 441 T HA -0.262 4.094 4.350 0.011 0.000 0.268 441 T C 1.918 176.458 174.700 -0.267 0.000 1.037 441 T CA 1.546 63.248 62.100 -0.663 0.000 1.144 441 T CB -0.441 67.851 68.868 -0.960 0.000 0.864 441 T HN 0.400 nan 8.240 nan 0.000 0.444 442 R N 0.247 120.616 120.500 -0.218 0.000 2.189 442 R HA 0.221 4.568 4.340 0.011 0.000 0.218 442 R C 2.617 178.840 176.300 -0.129 0.000 1.074 442 R CA 1.244 57.253 56.100 -0.152 0.000 0.991 442 R CB -0.431 29.788 30.300 -0.136 0.000 0.883 442 R HN 0.519 nan 8.270 nan 0.000 0.457 443 M N 0.515 120.045 119.600 -0.116 0.000 2.123 443 M HA -0.117 4.369 4.480 0.011 0.000 0.263 443 M C 1.833 178.059 176.300 -0.123 0.000 1.069 443 M CA 1.600 56.863 55.300 -0.063 0.000 1.133 443 M CB 0.119 32.724 32.600 0.007 0.000 1.356 443 M HN -0.047 nan 8.290 nan 0.000 0.415 444 V N 1.182 120.915 119.914 -0.301 0.000 2.343 444 V HA -0.291 3.836 4.120 0.011 0.000 0.247 444 V C 2.281 178.252 176.094 -0.205 0.000 1.051 444 V CA 2.042 64.032 62.300 -0.516 0.000 1.036 444 V CB -0.999 30.486 31.823 -0.563 0.000 0.654 444 V HN 0.595 nan 8.190 nan 0.000 0.451 445 Q N -0.698 119.026 119.800 -0.126 0.000 2.226 445 Q HA -0.212 4.135 4.340 0.011 0.000 0.204 445 Q C 2.455 178.367 176.000 -0.145 0.000 0.975 445 Q CA 1.437 57.177 55.803 -0.106 0.000 0.866 445 Q CB -0.153 28.549 28.738 -0.059 0.000 0.915 445 Q HN 0.541 nan 8.270 nan 0.000 0.440 446 R N 0.259 120.671 120.500 -0.147 0.000 2.090 446 R HA -0.070 4.277 4.340 0.011 0.000 0.219 446 R C 0.434 176.664 176.300 -0.116 0.000 1.100 446 R CA 1.168 57.165 56.100 -0.172 0.000 0.991 446 R CB 0.494 30.692 30.300 -0.170 0.000 0.893 446 R HN 0.148 nan 8.270 nan 0.000 0.443 447 D N -0.014 120.373 120.400 -0.022 0.000 2.398 447 D HA 0.001 4.648 4.640 0.011 0.000 0.210 447 D C 1.277 177.682 176.300 0.175 0.000 1.094 447 D CA 0.067 54.099 54.000 0.054 0.000 0.839 447 D CB 0.284 41.019 40.800 -0.109 0.000 0.963 447 D HN 0.362 nan 8.370 nan 0.000 0.506 448 R N 0.687 121.300 120.500 0.188 0.000 2.241 448 R HA -0.002 4.344 4.340 0.011 0.000 0.224 448 R C 0.794 177.087 176.300 -0.012 0.000 1.101 448 R CA 0.890 57.113 56.100 0.205 0.000 0.995 448 R CB -0.297 30.038 30.300 0.059 0.000 0.870 448 R HN -0.075 nan 8.270 nan 0.000 0.463 449 N N 0.270 118.888 118.700 -0.137 0.000 2.336 449 N HA -0.005 4.741 4.740 0.011 0.000 0.189 449 N C -0.468 174.909 175.510 -0.221 0.000 1.113 449 N CA 0.269 53.205 53.050 -0.190 0.000 0.858 449 N CB 0.098 38.438 38.487 -0.244 0.000 0.970 449 N HN 0.297 nan 8.380 nan 0.000 0.471 450 H N 1.587 120.586 119.070 -0.117 0.000 2.800 450 H HA 0.096 4.658 4.556 0.010 0.000 0.291 450 H C -1.174 173.998 175.328 -0.260 0.000 1.076 450 H CA -1.217 54.746 56.048 -0.142 0.000 1.452 450 H CB 1.469 31.181 29.762 -0.083 0.000 1.461 450 H HN 0.077 nan 8.280 nan 0.000 0.488 451 P HA -0.156 nan 4.420 nan 0.000 0.220 451 P C 1.435 178.228 177.300 -0.844 0.000 1.148 451 P CA 1.065 63.786 63.100 -0.633 0.000 0.803 451 P CB 0.325 31.442 31.700 -0.971 0.000 0.782 452 S N -0.559 114.775 115.700 -0.611 0.000 2.399 452 S HA -0.052 4.424 4.470 0.011 0.000 0.231 452 S C 1.147 175.727 174.600 -0.033 0.000 1.022 452 S CA 0.464 58.511 58.200 -0.256 0.000 0.983 452 S CB -1.539 61.659 63.200 -0.002 0.000 0.803 452 S HN -0.048 nan 8.310 nan 0.000 0.480 453 V N 3.751 123.612 119.914 -0.089 0.000 2.439 453 V HA 0.240 4.366 4.120 0.011 0.000 0.271 453 V C 1.085 177.038 176.094 -0.235 0.000 1.040 453 V CA 0.060 62.271 62.300 -0.150 0.000 1.002 453 V CB 0.353 31.991 31.823 -0.309 0.000 1.000 453 V HN 0.644 nan 8.190 nan 0.000 0.477 454 I N 2.581 123.068 120.570 -0.138 0.000 4.323 454 I HA 0.505 4.682 4.170 0.011 0.000 0.328 454 I C 0.355 176.361 176.117 -0.186 0.000 1.310 454 I CA 0.452 61.681 61.300 -0.119 0.000 1.186 454 I CB 0.528 38.547 38.000 0.033 0.000 1.130 454 I HN 0.311 nan 8.210 nan 0.000 0.411 455 I N 0.389 120.825 120.570 -0.224 0.000 2.656 455 I HA 0.360 4.537 4.170 0.011 0.000 0.292 455 I C -1.559 174.447 176.117 -0.184 0.000 1.144 455 I CA -0.433 60.774 61.300 -0.155 0.000 1.038 455 I CB 2.063 40.067 38.000 0.006 0.000 1.244 455 I HN 0.032 nan 8.210 nan 0.000 0.420 456 W N 3.913 125.259 121.300 0.078 0.000 2.496 456 W HA 0.607 5.273 4.660 0.009 0.000 0.327 456 W C 0.394 176.974 176.519 0.102 0.000 1.086 456 W CA -0.622 56.773 57.345 0.084 0.000 1.222 456 W CB 1.712 31.215 29.460 0.073 0.000 1.304 456 W HN 0.304 nan 8.180 nan 0.000 0.547 457 S N 2.609 118.536 115.700 0.380 0.000 2.500 457 S HA 0.405 4.882 4.470 0.011 0.000 0.301 457 S C 0.234 174.993 174.600 0.265 0.000 1.092 457 S CA -0.698 57.672 58.200 0.283 0.000 1.030 457 S CB 0.831 64.153 63.200 0.204 0.000 1.031 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 L N 4.066 125.432 121.223 0.239 0.000 2.610 458 L HA 0.339 4.686 4.340 0.011 0.000 0.232 458 L C 1.377 178.294 176.870 0.078 0.000 1.149 458 L CA 0.528 55.426 54.840 0.096 0.000 0.872 458 L CB -1.040 40.970 42.059 -0.081 0.000 0.992 458 L HN 0.983 nan 8.230 nan 0.000 0.447 459 G N -0.017 108.918 108.800 0.224 0.000 2.265 459 G HA2 -0.126 3.841 3.960 0.011 0.000 0.246 459 G HA3 -0.126 3.841 3.960 0.011 0.000 0.246 459 G C -1.655 173.432 174.900 0.310 0.000 1.299 459 G CA -0.559 44.683 45.100 0.237 0.000 1.117 459 G HN 0.166 nan 8.290 nan 0.000 0.485 460 N N 0.170 118.992 118.700 0.204 0.000 2.367 460 N HA 0.473 5.219 4.740 0.011 0.000 0.278 460 N C -0.539 174.910 175.510 -0.102 0.000 1.117 460 N CA 0.059 53.079 53.050 -0.051 0.000 0.867 460 N CB 1.612 39.791 38.487 -0.513 0.000 1.649 460 N HN 0.877 nan 8.380 nan 0.000 0.479 461 E N 0.812 120.857 120.200 -0.258 0.000 2.131 461 E HA -0.183 4.173 4.350 0.011 0.000 0.166 461 E C -0.826 175.684 176.600 -0.150 0.000 1.514 461 E CA 0.776 56.959 56.400 -0.362 0.000 0.646 461 E CB -1.230 28.008 29.700 -0.770 0.000 1.051 461 E HN 0.432 nan 8.360 nan 0.000 0.315 462 S N 0.241 115.991 115.700 0.083 0.000 3.021 462 S HA 0.398 4.875 4.470 0.011 0.000 0.252 462 S C 0.647 175.405 174.600 0.264 0.000 0.996 462 S CA -0.198 58.113 58.200 0.186 0.000 1.084 462 S CB 1.377 64.754 63.200 0.294 0.000 1.021 462 S HN 0.877 nan 8.310 nan 0.000 0.566 463 G N 2.005 110.888 108.800 0.138 0.000 2.598 463 G HA2 -0.269 3.697 3.960 0.011 0.000 0.269 463 G HA3 -0.269 3.697 3.960 0.011 0.000 0.269 463 G C -0.492 174.599 174.900 0.318 0.000 1.289 463 G CA -0.034 45.154 45.100 0.146 0.000 0.926 463 G HN 0.655 nan 8.290 nan 0.000 0.567 464 H N 0.373 119.555 119.070 0.187 0.000 2.906 464 H HA 0.565 5.127 4.556 0.010 0.000 0.324 464 H C 0.330 175.825 175.328 0.278 0.000 0.973 464 H CA -0.144 56.058 56.048 0.257 0.000 1.321 464 H CB 0.666 30.510 29.762 0.136 0.000 1.535 464 H HN 1.025 nan 8.280 nan 0.000 0.518 465 G N 1.483 110.436 108.800 0.254 0.000 2.600 465 G HA2 0.448 4.415 3.960 0.011 0.000 0.303 465 G HA3 0.448 4.415 3.960 0.011 0.000 0.303 465 G C 0.604 175.405 174.900 -0.166 0.000 1.253 465 G CA -0.153 44.901 45.100 -0.076 0.000 0.974 465 G HN 0.678 nan 8.290 nan 0.000 0.483 466 A N 0.344 123.077 122.820 -0.145 0.000 2.024 466 A HA -0.102 4.225 4.320 0.011 0.000 0.220 466 A C 2.108 179.668 177.584 -0.040 0.000 1.164 466 A CA 1.846 53.834 52.037 -0.082 0.000 0.643 466 A CB -0.405 18.564 19.000 -0.050 0.000 0.806 466 A HN 0.528 nan 8.150 nan 0.000 0.451 467 N N -0.378 118.264 118.700 -0.096 0.000 2.289 467 N HA -0.130 4.616 4.740 0.011 0.000 0.184 467 N C 1.359 176.804 175.510 -0.108 0.000 1.016 467 N CA 1.596 54.575 53.050 -0.119 0.000 0.872 467 N CB -0.610 37.766 38.487 -0.185 0.000 0.973 467 N HN 0.788 nan 8.380 nan 0.000 0.433 468 H N 0.279 119.344 119.070 -0.009 0.000 2.357 468 H HA 0.007 4.569 4.556 0.010 0.000 0.301 468 H C 1.278 176.677 175.328 0.120 0.000 1.082 468 H CA 1.141 57.192 56.048 0.006 0.000 1.342 468 H CB 0.201 29.986 29.762 0.039 0.000 1.389 468 H HN 0.174 nan 8.280 nan 0.000 0.511 469 D N 0.448 121.006 120.400 0.263 0.000 2.117 469 D HA -0.132 4.514 4.640 0.011 0.000 0.197 469 D C 2.305 178.754 176.300 0.248 0.000 0.987 469 D CA 1.178 55.327 54.000 0.247 0.000 0.829 469 D CB -0.330 40.577 40.800 0.178 0.000 0.961 469 D HN 0.420 nan 8.370 nan 0.000 0.460 470 A N 0.914 123.830 122.820 0.160 0.000 1.877 470 A HA -0.122 4.204 4.320 0.011 0.000 0.216 470 A C 2.417 180.107 177.584 0.176 0.000 1.186 470 A CA 0.967 53.088 52.037 0.140 0.000 0.620 470 A CB -0.775 18.266 19.000 0.069 0.000 0.822 470 A HN 0.195 nan 8.150 nan 0.000 0.443 471 L N -2.044 119.267 121.223 0.146 0.000 2.217 471 L HA -0.121 4.226 4.340 0.011 0.000 0.211 471 L C 2.539 179.548 176.870 0.232 0.000 1.107 471 L CA 1.312 56.241 54.840 0.148 0.000 0.783 471 L CB -0.604 41.474 42.059 0.031 0.000 0.919 471 L HN 0.629 nan 8.230 nan 0.000 0.442 472 Y N 1.276 121.657 120.300 0.135 0.000 2.097 472 Y HA -0.329 4.226 4.550 0.008 0.000 0.282 472 Y C 2.802 178.780 175.900 0.130 0.000 1.152 472 Y CA 1.778 59.958 58.100 0.134 0.000 1.136 472 Y CB -0.163 38.377 38.460 0.134 0.000 0.975 472 Y HN -0.048 nan 8.280 nan 0.000 0.498 473 R N -0.189 120.411 120.500 0.166 0.000 2.096 473 R HA -0.195 4.152 4.340 0.011 0.000 0.235 473 R C 2.041 178.337 176.300 -0.007 0.000 1.127 473 R CA 1.892 58.014 56.100 0.037 0.000 0.968 473 R CB -1.364 29.039 30.300 0.172 0.000 0.861 473 R HN 0.655 nan 8.270 nan 0.000 0.440 474 W N 0.541 121.797 121.300 -0.073 0.000 2.333 474 W HA -0.166 4.500 4.660 0.011 0.000 0.316 474 W C 1.629 178.056 176.519 -0.154 0.000 1.215 474 W CA 2.044 59.333 57.345 -0.093 0.000 1.278 474 W CB -0.321 29.088 29.460 -0.085 0.000 1.154 474 W HN 0.072 nan 8.180 nan 0.000 0.486 475 I N 0.831 121.395 120.570 -0.010 0.000 2.163 475 I HA -0.367 3.809 4.170 0.011 0.000 0.243 475 I C 2.444 178.355 176.117 -0.343 0.000 1.085 475 I CA 1.475 62.619 61.300 -0.259 0.000 1.347 475 I CB -0.780 37.130 38.000 -0.149 0.000 1.044 475 I HN -0.097 nan 8.210 nan 0.000 0.408 476 K N 0.320 120.526 120.400 -0.323 0.000 2.152 476 K HA -0.169 4.157 4.320 0.011 0.000 0.206 476 K C 2.252 178.709 176.600 -0.238 0.000 1.048 476 K CA 1.418 57.536 56.287 -0.281 0.000 0.933 476 K CB -0.527 31.751 32.500 -0.370 0.000 0.721 476 K HN 0.263 nan 8.250 nan 0.000 0.447 477 S N 0.882 116.403 115.700 -0.297 0.000 2.362 477 S HA -0.087 4.390 4.470 0.011 0.000 0.221 477 S C 2.049 176.437 174.600 -0.353 0.000 1.032 477 S CA 1.229 59.259 58.200 -0.284 0.000 0.973 477 S CB -0.135 62.893 63.200 -0.287 0.000 0.849 477 S HN 0.176 nan 8.310 nan 0.000 0.465 478 V N -0.538 119.024 119.914 -0.587 0.000 2.719 478 V HA 0.224 4.351 4.120 0.011 0.000 0.252 478 V C 0.385 176.257 176.094 -0.370 0.000 1.065 478 V CA 1.550 63.508 62.300 -0.571 0.000 1.086 478 V CB -0.470 30.756 31.823 -0.994 0.000 0.700 478 V HN 0.480 nan 8.190 nan 0.000 0.467 479 D N 1.000 121.219 120.400 -0.302 0.000 2.429 479 D HA 0.339 4.986 4.640 0.011 0.000 0.255 479 D C -1.961 174.319 176.300 -0.034 0.000 1.257 479 D CA -1.760 52.168 54.000 -0.120 0.000 0.890 479 D CB 1.570 42.364 40.800 -0.009 0.000 1.267 479 D HN 0.232 nan 8.370 nan 0.000 0.521 480 P HA -0.026 nan 4.420 nan 0.000 0.247 480 P C 0.817 178.132 177.300 0.025 0.000 1.225 480 P CA 0.271 63.361 63.100 -0.017 0.000 0.768 480 P CB 0.152 31.835 31.700 -0.029 0.000 1.020 481 S N -1.111 114.615 115.700 0.044 0.000 2.527 481 S HA 0.108 4.584 4.470 0.011 0.000 0.222 481 S C 0.898 175.526 174.600 0.047 0.000 0.985 481 S CA -0.309 57.921 58.200 0.051 0.000 0.921 481 S CB -0.251 62.972 63.200 0.039 0.000 0.772 481 S HN 0.107 nan 8.310 nan 0.000 0.529 482 R N 1.008 121.553 120.500 0.074 0.000 2.686 482 R HA 0.562 4.909 4.340 0.011 0.000 0.283 482 R C -3.257 173.099 176.300 0.093 0.000 0.978 482 R CA -2.195 53.921 56.100 0.026 0.000 0.897 482 R CB 1.475 31.678 30.300 -0.160 0.000 1.192 482 R HN 0.137 nan 8.270 nan 0.000 0.457 483 P HA 0.136 nan 4.420 nan 0.000 0.274 483 P C -0.889 176.515 177.300 0.172 0.000 1.237 483 P CA -0.455 62.708 63.100 0.105 0.000 0.793 483 P CB 0.748 32.494 31.700 0.075 0.000 0.977 484 V N 2.287 122.332 119.914 0.218 0.000 2.495 484 V HA 0.419 4.546 4.120 0.011 0.000 0.298 484 V C 0.120 176.394 176.094 0.300 0.000 1.031 484 V CA -0.280 62.196 62.300 0.293 0.000 0.871 484 V CB 1.208 33.184 31.823 0.255 0.000 0.988 484 V HN 0.609 nan 8.190 nan 0.000 0.432 485 Q N 3.867 123.823 119.800 0.261 0.000 2.458 485 Q HA 0.811 5.157 4.340 0.011 0.000 0.282 485 Q C -1.875 174.280 176.000 0.258 0.000 1.106 485 Q CA -0.917 55.007 55.803 0.200 0.000 0.814 485 Q CB 2.989 31.794 28.738 0.112 0.000 1.425 485 Q HN 0.622 nan 8.270 nan 0.000 0.437 486 Y N 0.133 120.434 120.300 0.001 0.000 2.357 486 Y HA 0.141 4.696 4.550 0.009 0.000 0.319 486 Y C -0.522 175.305 175.900 -0.120 0.000 1.225 486 Y CA -0.776 57.290 58.100 -0.057 0.000 1.095 486 Y CB 1.997 40.411 38.460 -0.077 0.000 1.302 486 Y HN 0.954 nan 8.280 nan 0.000 0.429 487 E N 3.386 123.114 120.200 -0.786 0.000 2.250 487 E HA 0.118 4.474 4.350 0.011 0.000 0.192 487 E C 0.716 176.860 176.600 -0.760 0.000 0.986 487 E CA 0.817 56.842 56.400 -0.627 0.000 0.849 487 E CB 0.179 29.628 29.700 -0.417 0.000 0.797 487 E HN 0.895 nan 8.360 nan 0.000 0.482 488 G N -0.043 107.911 108.800 -1.411 0.000 2.464 488 G HA2 0.186 4.153 3.960 0.011 0.000 0.231 488 G HA3 0.186 4.153 3.960 0.011 0.000 0.231 488 G C 0.806 175.519 174.900 -0.312 0.000 1.267 488 G CA 0.370 45.012 45.100 -0.763 0.000 0.863 488 G HN 0.376 nan 8.290 nan 0.000 0.559 489 G N -0.284 108.451 108.800 -0.108 0.000 2.198 489 G HA2 0.228 4.194 3.960 0.011 0.000 0.260 489 G HA3 0.228 4.194 3.960 0.011 0.000 0.260 489 G C 1.280 176.176 174.900 -0.008 0.000 1.025 489 G CA 1.011 46.117 45.100 0.010 0.000 0.769 489 G HN 2.638 nan 8.290 nan 0.000 0.507 490 G N -1.678 107.110 108.800 -0.021 0.000 2.205 490 G HA2 0.417 4.384 3.960 0.011 0.000 0.180 490 G HA3 0.417 4.384 3.960 0.011 0.000 0.180 490 G C 1.109 176.115 174.900 0.177 0.000 1.004 490 G CA 1.274 46.429 45.100 0.090 0.000 0.670 490 G HN 2.331 nan 8.290 nan 0.000 0.496 491 A N -0.167 122.637 122.820 -0.026 0.000 3.420 491 A HA -0.151 4.176 4.320 0.011 0.000 0.269 491 A C 1.135 178.650 177.584 -0.116 0.000 1.122 491 A CA 2.720 54.686 52.037 -0.119 0.000 1.023 491 A CB -1.752 17.163 19.000 -0.142 0.000 1.099 491 A HN 2.116 nan 8.150 nan 0.000 0.860 492 D N -0.999 119.415 120.400 0.024 0.000 2.760 492 D HA 0.310 4.957 4.640 0.011 0.000 0.314 492 D C 0.406 176.701 176.300 -0.007 0.000 1.464 492 D CA 0.796 54.816 54.000 0.034 0.000 0.797 492 D CB -1.142 39.817 40.800 0.266 0.000 1.149 492 D HN 0.790 nan 8.370 nan 0.000 0.455 493 T N -2.466 112.014 114.554 -0.124 0.000 2.689 493 T HA 0.206 4.562 4.350 0.011 0.000 0.308 493 T C 1.584 176.157 174.700 -0.211 0.000 1.021 493 T CA 0.435 62.400 62.100 -0.225 0.000 0.973 493 T CB 0.769 69.249 68.868 -0.646 0.000 1.113 493 T HN 0.086 nan 8.240 nan 0.000 0.522 494 T N -2.749 111.688 114.554 -0.194 0.000 3.160 494 T HA 0.248 4.604 4.350 0.011 0.000 0.257 494 T C 1.505 175.962 174.700 -0.406 0.000 1.147 494 T CA 0.216 62.205 62.100 -0.185 0.000 1.064 494 T CB -0.499 68.343 68.868 -0.045 0.000 0.949 494 T HN 0.819 nan 8.240 nan 0.000 0.526 495 A N 0.410 123.007 122.820 -0.372 0.000 2.423 495 A HA 0.504 4.830 4.320 0.011 0.000 0.246 495 A C 0.853 178.282 177.584 -0.258 0.000 1.278 495 A CA -0.255 51.546 52.037 -0.393 0.000 0.903 495 A CB 0.097 19.102 19.000 0.010 0.000 0.997 495 A HN 0.437 nan 8.150 nan 0.000 0.510 496 T N -1.221 113.186 114.554 -0.245 0.000 2.952 496 T HA 0.353 4.710 4.350 0.011 0.000 0.305 496 T C -0.637 174.076 174.700 0.023 0.000 1.064 496 T CA -0.480 61.617 62.100 -0.004 0.000 1.008 496 T CB 1.164 70.022 68.868 -0.016 0.000 1.078 496 T HN 0.113 nan 8.240 nan 0.000 0.459 497 D N 3.090 123.584 120.400 0.156 0.000 2.348 497 D HA 0.225 4.872 4.640 0.011 0.000 0.211 497 D C 0.433 176.761 176.300 0.047 0.000 0.998 497 D CA 0.684 54.761 54.000 0.129 0.000 0.873 497 D CB 0.519 41.426 40.800 0.179 0.000 0.925 497 D HN 0.542 nan 8.370 nan 0.000 0.524 498 I N 1.088 121.668 120.570 0.017 0.000 2.545 498 I HA 0.258 4.434 4.170 0.011 0.000 0.292 498 I C -0.143 175.906 176.117 -0.114 0.000 1.040 498 I CA -0.911 60.364 61.300 -0.041 0.000 1.068 498 I CB 2.773 40.760 38.000 -0.021 0.000 1.251 498 I HN -0.363 nan 8.210 nan 0.000 0.424 499 I N 5.692 126.148 120.570 -0.190 0.000 2.436 499 I HA 0.058 4.235 4.170 0.011 0.000 0.289 499 I C 0.175 176.085 176.117 -0.346 0.000 1.083 499 I CA -0.032 61.057 61.300 -0.351 0.000 1.372 499 I CB 0.144 37.823 38.000 -0.535 0.000 1.408 499 I HN 0.677 nan 8.210 nan 0.000 0.516 500 C N 5.772 124.883 119.300 -0.314 0.000 3.401 500 C HA 0.466 4.932 4.460 0.011 0.000 0.204 500 C C -2.023 172.822 174.990 -0.241 0.000 1.522 500 C CA -2.256 56.625 59.018 -0.227 0.000 1.409 500 C CB -0.852 26.812 27.740 -0.127 0.000 1.967 500 C HN 0.443 nan 8.230 nan 0.000 0.496 501 P HA 0.315 nan 4.420 nan 0.000 0.272 501 P C -0.517 176.721 177.300 -0.104 0.000 1.240 501 P CA 0.271 63.265 63.100 -0.177 0.000 0.791 501 P CB 0.928 32.526 31.700 -0.170 0.000 0.978 502 M N 0.174 119.733 119.600 -0.069 0.000 2.181 502 M HA 0.432 4.918 4.480 0.011 0.000 0.323 502 M C -0.937 175.319 176.300 -0.073 0.000 1.004 502 M CA -0.686 54.457 55.300 -0.262 0.000 0.941 502 M CB 1.208 33.617 32.600 -0.318 0.000 1.579 502 M HN 0.232 nan 8.290 nan 0.000 0.427 503 Y N -0.288 120.174 120.300 0.270 0.000 4.490 503 Y HA -0.195 4.362 4.550 0.011 0.000 0.233 503 Y C 0.476 176.551 175.900 0.292 0.000 1.101 503 Y CA 0.532 58.801 58.100 0.280 0.000 2.010 503 Y CB -2.465 36.151 38.460 0.259 0.000 1.622 503 Y HN 0.982 nan 8.280 nan 0.000 0.675 504 A N 1.012 124.054 122.820 0.369 0.000 2.440 504 A HA 0.589 4.916 4.320 0.011 0.000 0.251 504 A C 0.795 178.606 177.584 0.380 0.000 1.089 504 A CA -0.477 51.784 52.037 0.373 0.000 0.779 504 A CB 0.408 19.666 19.000 0.431 0.000 1.022 504 A HN 0.380 nan 8.150 nan 0.000 0.492 505 R N 1.522 122.174 120.500 0.253 0.000 2.543 505 R HA 0.330 4.676 4.340 0.011 0.000 0.268 505 R C 1.014 177.292 176.300 -0.037 0.000 1.067 505 R CA -0.742 55.436 56.100 0.131 0.000 1.142 505 R CB 0.647 30.988 30.300 0.068 0.000 1.110 505 R HN 0.488 nan 8.270 nan 0.000 0.549 506 V N 0.785 120.510 119.914 -0.315 0.000 2.270 506 V HA -0.223 3.903 4.120 0.011 0.000 0.245 506 V C 1.008 176.989 176.094 -0.189 0.000 1.043 506 V CA 1.925 64.005 62.300 -0.366 0.000 1.014 506 V CB -0.268 31.217 31.823 -0.563 0.000 0.645 506 V HN 0.773 nan 8.190 nan 0.000 0.447 507 D N -1.656 118.665 120.400 -0.131 0.000 2.473 507 D HA 0.097 4.744 4.640 0.011 0.000 0.230 507 D C 0.905 177.190 176.300 -0.026 0.000 1.097 507 D CA 0.009 53.966 54.000 -0.071 0.000 0.861 507 D CB 0.745 41.508 40.800 -0.061 0.000 1.114 507 D HN 0.458 nan 8.370 nan 0.000 0.500 508 E N 2.027 122.215 120.200 -0.020 0.000 2.200 508 E HA 0.095 4.451 4.350 0.011 0.000 0.283 508 E C -0.811 175.790 176.600 0.000 0.000 1.015 508 E CA -0.504 55.892 56.400 -0.007 0.000 0.819 508 E CB 0.964 30.659 29.700 -0.008 0.000 1.081 508 E HN -0.129 nan 8.360 nan 0.000 0.397 509 D N 3.579 123.980 120.400 0.002 0.000 2.313 509 D HA 0.139 4.785 4.640 0.011 0.000 0.247 509 D C -0.511 175.684 176.300 -0.176 0.000 1.094 509 D CA 0.086 54.081 54.000 -0.009 0.000 0.925 509 D CB 1.210 42.085 40.800 0.125 0.000 1.188 509 D HN 0.417 nan 8.370 nan 0.000 0.430 510 Q N 1.339 120.915 119.800 -0.372 0.000 2.932 510 Q HA 0.223 4.569 4.340 0.011 0.000 0.248 510 Q C -2.197 173.215 176.000 -0.980 0.000 0.982 510 Q CA -1.480 53.905 55.803 -0.696 0.000 0.730 510 Q CB 2.284 30.590 28.738 -0.720 0.000 1.249 510 Q HN 0.184 nan 8.270 nan 0.000 0.476 511 P HA -0.051 nan 4.420 nan 0.000 0.246 511 P C -0.632 176.365 177.300 -0.506 0.000 1.675 511 P CA -0.030 62.639 63.100 -0.718 0.000 0.908 511 P CB -0.504 30.976 31.700 -0.367 0.000 1.890 512 F N 1.426 121.185 119.950 -0.318 0.000 2.602 512 F HA 0.119 4.652 4.527 0.010 0.000 0.367 512 F C -1.307 174.375 175.800 -0.197 0.000 1.126 512 F CA -1.985 55.892 58.000 -0.204 0.000 1.321 512 F CB -1.216 37.684 39.000 -0.166 0.000 1.094 512 F HN 0.058 nan 8.300 nan 0.000 0.594 513 P HA 0.215 nan 4.420 nan 0.000 0.268 513 P C 0.295 177.601 177.300 0.010 0.000 1.205 513 P CA 1.340 64.449 63.100 0.015 0.000 0.771 513 P CB 1.039 32.751 31.700 0.018 0.000 0.858 514 A N 2.659 125.480 122.820 0.001 0.000 2.066 514 A HA -0.255 4.072 4.320 0.011 0.000 0.231 514 A C 0.786 178.373 177.584 0.004 0.000 0.465 514 A CA 2.104 54.148 52.037 0.011 0.000 1.110 514 A CB -2.711 16.297 19.000 0.013 0.000 1.434 514 A HN 0.677 nan 8.150 nan 0.000 0.706 515 V N -2.605 117.304 119.914 -0.008 0.000 2.454 515 V HA 0.579 4.706 4.120 0.011 0.000 0.255 515 V C -2.154 173.919 176.094 -0.034 0.000 1.009 515 V CA -1.268 61.027 62.300 -0.009 0.000 1.149 515 V CB 0.580 32.400 31.823 -0.005 0.000 1.418 515 V HN 0.563 nan 8.190 nan 0.000 0.567 516 P HA 0.276 nan 4.420 nan 0.000 0.272 516 P C -0.677 176.220 177.300 -0.671 0.000 1.223 516 P CA -0.013 62.718 63.100 -0.615 0.000 0.784 516 P CB 1.142 32.051 31.700 -1.318 0.000 0.923 517 K N 2.449 122.528 120.400 -0.535 0.000 2.419 517 K HA 0.208 4.534 4.320 0.011 0.000 0.244 517 K C -0.422 175.949 176.600 -0.381 0.000 1.045 517 K CA -0.288 55.871 56.287 -0.213 0.000 1.004 517 K CB 0.359 32.965 32.500 0.176 0.000 1.376 517 K HN 0.469 nan 8.250 nan 0.000 0.460 518 W N 1.352 122.344 121.300 -0.513 0.000 2.126 518 W HA 0.046 4.713 4.660 0.012 0.000 0.346 518 W C 1.323 177.854 176.519 0.022 0.000 1.279 518 W CA -0.486 56.650 57.345 -0.348 0.000 1.259 518 W CB 0.443 29.517 29.460 -0.643 0.000 1.133 518 W HN 0.367 nan 8.180 nan 0.000 0.592 519 S N 3.288 119.147 115.700 0.266 0.000 2.552 519 S HA -0.067 4.410 4.470 0.011 0.000 0.289 519 S C 1.184 175.932 174.600 0.246 0.000 1.304 519 S CA -0.221 58.080 58.200 0.167 0.000 1.063 519 S CB 0.148 63.390 63.200 0.069 0.000 0.848 519 S HN 0.524 nan 8.310 nan 0.000 0.499 520 I N 1.916 122.599 120.570 0.187 0.000 2.335 520 I HA -0.161 4.015 4.170 0.011 0.000 0.251 520 I C 2.007 178.143 176.117 0.032 0.000 1.129 520 I CA 1.274 62.678 61.300 0.175 0.000 1.402 520 I CB -0.455 37.588 38.000 0.071 0.000 1.069 520 I HN 0.609 nan 8.210 nan 0.000 0.424 521 K N 1.594 121.917 120.400 -0.130 0.000 2.057 521 K HA -0.154 4.172 4.320 0.011 0.000 0.206 521 K C 2.297 178.881 176.600 -0.028 0.000 1.050 521 K CA 1.636 57.755 56.287 -0.281 0.000 0.935 521 K CB -0.190 32.075 32.500 -0.393 0.000 0.715 521 K HN 0.375 nan 8.250 nan 0.000 0.439 522 K N 0.270 120.684 120.400 0.022 0.000 2.062 522 K HA -0.171 4.155 4.320 0.011 0.000 0.205 522 K C 1.925 178.546 176.600 0.035 0.000 1.051 522 K CA 0.881 57.171 56.287 0.004 0.000 0.941 522 K CB -0.082 32.392 32.500 -0.045 0.000 0.719 522 K HN 0.204 nan 8.250 nan 0.000 0.440 523 W N 2.133 123.411 121.300 -0.037 0.000 2.318 523 W HA -0.216 4.448 4.660 0.008 0.000 0.313 523 W C 1.657 178.154 176.519 -0.037 0.000 1.221 523 W CA 1.259 58.595 57.345 -0.016 0.000 1.266 523 W CB -0.672 28.850 29.460 0.103 0.000 1.150 523 W HN 0.112 nan 8.180 nan 0.000 0.496 524 L N 0.701 122.073 121.223 0.249 0.000 2.081 524 L HA -0.255 4.091 4.340 0.011 0.000 0.212 524 L C 2.208 179.140 176.870 0.103 0.000 1.080 524 L CA 2.065 56.987 54.840 0.136 0.000 0.754 524 L CB -1.095 41.031 42.059 0.110 0.000 0.893 524 L HN -0.011 nan 8.230 nan 0.000 0.433 525 S N -1.305 114.441 115.700 0.077 0.000 2.582 525 S HA 0.263 4.740 4.470 0.011 0.000 0.234 525 S C 0.514 175.102 174.600 -0.020 0.000 0.961 525 S CA -0.526 57.693 58.200 0.031 0.000 0.953 525 S CB -0.480 62.738 63.200 0.029 0.000 0.800 525 S HN 0.152 nan 8.310 nan 0.000 0.471 526 L N 2.006 123.209 121.223 -0.033 0.000 2.483 526 L HA 0.239 4.586 4.340 0.011 0.000 0.276 526 L C -2.218 174.619 176.870 -0.054 0.000 1.213 526 L CA -1.841 52.931 54.840 -0.113 0.000 0.843 526 L CB -0.276 41.686 42.059 -0.161 0.000 1.107 526 L HN 0.017 nan 8.230 nan 0.000 0.487 527 P HA -0.074 nan 4.420 nan 0.000 0.257 527 P C 0.737 178.030 177.300 -0.012 0.000 1.162 527 P CA 1.271 64.347 63.100 -0.039 0.000 0.762 527 P CB 0.363 32.034 31.700 -0.049 0.000 0.753 528 G N 2.017 110.816 108.800 -0.000 0.000 2.234 528 G HA2 -0.277 3.690 3.960 0.011 0.000 0.260 528 G HA3 -0.277 3.690 3.960 0.011 0.000 0.260 528 G C 0.299 175.214 174.900 0.026 0.000 0.987 528 G CA 0.054 45.161 45.100 0.013 0.000 0.625 528 G HN 0.602 nan 8.290 nan 0.000 0.532 529 E N 1.134 121.355 120.200 0.034 0.000 2.344 529 E HA 0.570 4.926 4.350 0.011 0.000 0.270 529 E C 1.436 178.060 176.600 0.039 0.000 1.021 529 E CA 0.808 57.240 56.400 0.054 0.000 0.887 529 E CB 0.790 30.547 29.700 0.095 0.000 0.997 529 E HN 0.563 nan 8.360 nan 0.000 0.429 530 T N 0.570 115.144 114.554 0.033 0.000 3.009 530 T HA 0.298 4.654 4.350 0.011 0.000 0.267 530 T C 0.558 175.266 174.700 0.014 0.000 0.942 530 T CA -0.435 61.679 62.100 0.023 0.000 0.883 530 T CB 0.084 68.965 68.868 0.022 0.000 1.192 530 T HN 0.262 nan 8.240 nan 0.000 0.524 531 R N 2.751 123.255 120.500 0.007 0.000 2.738 531 R HA 0.391 4.737 4.340 0.011 0.000 0.268 531 R C -2.402 173.876 176.300 -0.036 0.000 1.062 531 R CA -1.595 54.497 56.100 -0.013 0.000 1.158 531 R CB 0.045 30.331 30.300 -0.024 0.000 1.046 531 R HN 0.301 nan 8.270 nan 0.000 0.493 532 P HA 0.086 nan 4.420 nan 0.000 0.276 532 P C -1.038 176.191 177.300 -0.119 0.000 1.252 532 P CA -0.165 62.892 63.100 -0.070 0.000 0.802 532 P CB 0.846 32.507 31.700 -0.065 0.000 1.035 533 L N 2.376 123.510 121.223 -0.148 0.000 2.376 533 L HA 0.569 4.915 4.340 0.011 0.000 0.275 533 L C -0.983 175.746 176.870 -0.234 0.000 0.987 533 L CA -0.734 53.980 54.840 -0.211 0.000 0.828 533 L CB 0.697 42.622 42.059 -0.224 0.000 1.249 533 L HN 0.246 nan 8.230 nan 0.000 0.409 534 I N 5.818 126.253 120.570 -0.226 0.000 2.497 534 I HA 0.248 4.424 4.170 0.011 0.000 0.284 534 I C -0.743 175.279 176.117 -0.160 0.000 1.060 534 I CA -0.581 60.572 61.300 -0.245 0.000 1.071 534 I CB 1.962 39.867 38.000 -0.158 0.000 1.216 534 I HN 0.475 nan 8.210 nan 0.000 0.442 535 L N 5.556 126.658 121.223 -0.202 0.000 2.513 535 L HA 0.010 4.357 4.340 0.011 0.000 0.272 535 L C 1.530 178.467 176.870 0.111 0.000 1.187 535 L CA -0.149 54.635 54.840 -0.093 0.000 0.895 535 L CB 0.492 42.470 42.059 -0.136 0.000 1.147 535 L HN 0.859 nan 8.230 nan 0.000 0.483 536 C N 0.299 119.648 119.300 0.081 0.000 2.448 536 C HA 0.136 4.603 4.460 0.011 0.000 0.280 536 C C 0.635 175.754 174.990 0.216 0.000 1.398 536 C CA -0.218 58.894 59.018 0.155 0.000 1.774 536 C CB -1.116 26.618 27.740 -0.009 0.000 1.888 536 C HN 0.832 nan 8.230 nan 0.000 0.519 537 E N -0.670 119.587 120.200 0.094 0.000 2.321 537 E HA 0.575 4.932 4.350 0.011 0.000 0.281 537 E C -1.389 175.134 176.600 -0.128 0.000 0.910 537 E CA -0.364 56.056 56.400 0.033 0.000 0.770 537 E CB 2.020 31.553 29.700 -0.279 0.000 1.225 537 E HN 0.575 nan 8.360 nan 0.000 0.417 538 Y N -0.621 119.651 120.300 -0.046 0.000 2.713 538 Y HA 0.622 5.179 4.550 0.012 0.000 0.335 538 Y C -0.788 175.274 175.900 0.271 0.000 1.222 538 Y CA -0.868 57.236 58.100 0.008 0.000 1.061 538 Y CB 0.538 38.858 38.460 -0.233 0.000 1.314 538 Y HN 0.663 nan 8.280 nan 0.000 0.453 539 A N 1.973 124.815 122.820 0.035 0.000 2.303 539 A HA -0.240 4.086 4.320 0.011 0.000 0.286 539 A C -0.219 177.469 177.584 0.173 0.000 1.429 539 A CA 1.039 53.100 52.037 0.039 0.000 0.738 539 A CB -2.568 16.327 19.000 -0.175 0.000 1.149 539 A HN 1.230 nan 8.150 nan 0.000 0.364 540 H N 0.642 119.851 119.070 0.231 0.000 3.184 540 H HA 0.254 4.816 4.556 0.010 0.000 0.274 540 H C 1.041 176.432 175.328 0.104 0.000 0.962 540 H CA 0.998 57.189 56.048 0.239 0.000 1.441 540 H CB 0.533 30.306 29.762 0.018 0.000 1.518 540 H HN 0.832 nan 8.280 nan 0.000 0.539 541 A N 5.176 127.913 122.820 -0.138 0.000 3.105 541 A HA 0.365 4.692 4.320 0.011 0.000 0.272 541 A C 0.855 178.350 177.584 -0.148 0.000 1.466 541 A CA 0.034 51.988 52.037 -0.139 0.000 1.101 541 A CB -0.577 18.321 19.000 -0.170 0.000 1.065 541 A HN 0.726 nan 8.150 nan 0.000 0.643 542 A N 0.464 123.235 122.820 -0.083 0.000 2.410 542 A HA 0.541 4.867 4.320 0.011 0.000 0.292 542 A C 1.437 178.957 177.584 -0.107 0.000 1.232 542 A CA 0.528 52.555 52.037 -0.016 0.000 0.893 542 A CB -0.954 18.174 19.000 0.214 0.000 1.131 542 A HN 2.193 nan 8.150 nan 0.000 0.530 543 G N 2.641 111.340 108.800 -0.170 0.000 2.591 543 G HA2 -0.343 3.624 3.960 0.011 0.000 0.298 543 G HA3 -0.343 3.624 3.960 0.011 0.000 0.298 543 G C 0.497 174.933 174.900 -0.773 0.000 1.195 543 G CA 0.370 45.165 45.100 -0.508 0.000 0.989 543 G HN 1.129 nan 8.290 nan 0.000 0.551 544 N N 1.566 119.653 118.700 -1.022 0.000 2.549 544 N HA 0.464 5.211 4.740 0.011 0.000 0.267 544 N C 0.042 175.325 175.510 -0.378 0.000 1.182 544 N CA 1.142 53.765 53.050 -0.712 0.000 1.019 544 N CB 0.282 38.381 38.487 -0.646 0.000 1.380 544 N HN 0.769 nan 8.380 nan 0.000 0.505 545 S N 1.894 117.453 115.700 -0.235 0.000 2.998 545 S HA 0.612 5.088 4.470 0.011 0.000 0.323 545 S C -0.105 174.442 174.600 -0.089 0.000 1.141 545 S CA -0.387 57.729 58.200 -0.141 0.000 0.873 545 S CB 0.185 63.334 63.200 -0.085 0.000 1.315 545 S HN 0.354 nan 8.310 nan 0.000 0.637 546 L N 0.111 121.312 121.223 -0.037 0.000 4.406 546 L HA -0.046 4.300 4.340 0.011 0.000 0.406 546 L C 0.447 177.366 176.870 0.081 0.000 1.133 546 L CA 0.790 55.633 54.840 0.004 0.000 0.974 546 L CB -1.717 40.262 42.059 -0.134 0.000 2.152 546 L HN 0.711 nan 8.230 nan 0.000 0.736 547 G N -1.035 107.784 108.800 0.032 0.000 2.442 547 G HA2 0.491 4.457 3.960 0.011 0.000 0.249 547 G HA3 0.491 4.457 3.960 0.011 0.000 0.249 547 G C 1.201 176.154 174.900 0.087 0.000 1.263 547 G CA 0.100 45.196 45.100 -0.007 0.000 0.846 547 G HN 1.340 nan 8.290 nan 0.000 0.555 548 G N 1.136 109.978 108.800 0.070 0.000 2.159 548 G HA2 -0.329 3.638 3.960 0.011 0.000 0.256 548 G HA3 -0.329 3.638 3.960 0.011 0.000 0.256 548 G C 1.020 176.104 174.900 0.307 0.000 0.977 548 G CA 0.832 46.028 45.100 0.159 0.000 0.652 548 G HN 0.814 nan 8.290 nan 0.000 0.531 549 F N 1.769 121.843 119.950 0.207 0.000 2.161 549 F HA 0.147 4.680 4.527 0.011 0.000 0.300 549 F C 2.621 178.634 175.800 0.356 0.000 1.089 549 F CA 2.304 60.499 58.000 0.325 0.000 1.282 549 F CB -0.440 38.696 39.000 0.227 0.000 1.010 549 F HN 0.345 nan 8.300 nan 0.000 0.485 550 A N -0.332 122.638 122.820 0.250 0.000 2.019 550 A HA -0.225 4.101 4.320 0.011 0.000 0.219 550 A C 2.284 179.886 177.584 0.029 0.000 1.164 550 A CA 1.684 53.802 52.037 0.135 0.000 0.644 550 A CB -0.782 18.312 19.000 0.157 0.000 0.805 550 A HN 0.454 nan 8.150 nan 0.000 0.449 551 K N -1.725 118.677 120.400 0.003 0.000 2.097 551 K HA -0.160 4.166 4.320 0.011 0.000 0.205 551 K C 1.666 178.048 176.600 -0.362 0.000 1.050 551 K CA 1.441 57.648 56.287 -0.134 0.000 0.938 551 K CB -0.298 32.122 32.500 -0.134 0.000 0.718 551 K HN 0.524 nan 8.250 nan 0.000 0.442 552 Y N -0.753 119.292 120.300 -0.424 0.000 2.163 552 Y HA -0.215 4.341 4.550 0.010 0.000 0.288 552 Y C 1.883 176.862 175.900 -1.536 0.000 1.136 552 Y CA 1.646 59.157 58.100 -0.982 0.000 1.147 552 Y CB -0.391 37.529 38.460 -0.900 0.000 0.987 552 Y HN 0.165 nan 8.280 nan 0.000 0.509 553 W N -0.056 120.837 121.300 -0.678 0.000 2.425 553 W HA -0.162 4.506 4.660 0.012 0.000 0.277 553 W C 2.574 178.941 176.519 -0.254 0.000 1.231 553 W CA 1.350 58.435 57.345 -0.433 0.000 1.248 553 W CB -0.428 28.850 29.460 -0.303 0.000 1.117 553 W HN 0.050 nan 8.180 nan 0.000 0.568 554 Q N 0.862 120.592 119.800 -0.116 0.000 2.119 554 Q HA -0.139 4.207 4.340 0.011 0.000 0.201 554 Q C 2.137 178.091 176.000 -0.076 0.000 0.972 554 Q CA 1.980 57.752 55.803 -0.052 0.000 0.847 554 Q CB -0.526 28.189 28.738 -0.039 0.000 0.903 554 Q HN 0.264 nan 8.270 nan 0.000 0.433 555 A N 0.104 122.788 122.820 -0.227 0.000 1.897 555 A HA -0.104 4.223 4.320 0.011 0.000 0.215 555 A C 1.832 179.393 177.584 -0.039 0.000 1.181 555 A CA 1.045 52.974 52.037 -0.181 0.000 0.620 555 A CB -0.753 18.005 19.000 -0.403 0.000 0.821 555 A HN 0.350 nan 8.150 nan 0.000 0.443 556 F N 0.333 120.124 119.950 -0.264 0.000 2.095 556 F HA -0.131 4.403 4.527 0.010 0.000 0.298 556 F C 2.519 178.230 175.800 -0.149 0.000 1.104 556 F CA 1.341 59.148 58.000 -0.323 0.000 1.232 556 F CB -0.870 37.717 39.000 -0.688 0.000 0.987 556 F HN 0.176 nan 8.300 nan 0.000 0.475 557 R N -0.251 120.317 120.500 0.113 0.000 2.115 557 R HA -0.149 4.198 4.340 0.011 0.000 0.226 557 R C 2.137 178.472 176.300 0.059 0.000 1.100 557 R CA 1.157 57.300 56.100 0.072 0.000 0.980 557 R CB -0.431 29.907 30.300 0.063 0.000 0.875 557 R HN 0.404 nan 8.270 nan 0.000 0.445 558 Q N -0.180 119.681 119.800 0.102 0.000 2.137 558 Q HA -0.059 4.288 4.340 0.011 0.000 0.198 558 Q C -0.407 175.620 176.000 0.045 0.000 0.960 558 Q CA 0.915 56.767 55.803 0.082 0.000 0.847 558 Q CB 0.325 29.140 28.738 0.128 0.000 0.915 558 Q HN 0.182 nan 8.270 nan 0.000 0.448 559 Y N 0.437 120.721 120.300 -0.026 0.000 2.367 559 Y HA 0.260 4.816 4.550 0.010 0.000 0.342 559 Y C -1.779 174.098 175.900 -0.038 0.000 0.979 559 Y CA -2.785 55.299 58.100 -0.027 0.000 1.161 559 Y CB 1.315 39.763 38.460 -0.019 0.000 1.155 559 Y HN 0.151 nan 8.280 nan 0.000 0.503 560 P HA -0.170 nan 4.420 nan 0.000 0.216 560 P C 1.092 178.396 177.300 0.006 0.000 1.153 560 P CA 1.883 64.986 63.100 0.005 0.000 0.858 560 P CB 0.297 31.985 31.700 -0.020 0.000 0.789 561 R N -1.244 119.280 120.500 0.040 0.000 2.307 561 R HA 0.112 4.459 4.340 0.011 0.000 0.199 561 R C 0.416 176.699 176.300 -0.028 0.000 1.000 561 R CA 0.099 56.203 56.100 0.006 0.000 1.023 561 R CB -0.407 29.908 30.300 0.024 0.000 0.908 561 R HN 0.243 nan 8.270 nan 0.000 0.473 562 L N 1.918 123.144 121.223 0.004 0.000 2.282 562 L HA 0.142 4.489 4.340 0.011 0.000 0.287 562 L C 0.430 177.169 176.870 -0.219 0.000 1.075 562 L CA 0.155 54.955 54.840 -0.065 0.000 0.839 562 L CB 1.157 43.251 42.059 0.059 0.000 1.219 562 L HN 0.075 nan 8.230 nan 0.000 0.434 563 Q N 2.925 122.513 119.800 -0.354 0.000 2.225 563 Q HA 0.325 4.671 4.340 0.011 0.000 0.259 563 Q C 0.763 176.321 176.000 -0.737 0.000 0.872 563 Q CA 0.018 55.558 55.803 -0.438 0.000 1.042 563 Q CB 1.036 29.613 28.738 -0.267 0.000 1.142 563 Q HN 0.942 nan 8.270 nan 0.000 0.463 564 G N -0.445 107.486 108.800 -1.449 0.000 2.451 564 G HA2 0.100 4.067 3.960 0.011 0.000 0.208 564 G HA3 0.100 4.067 3.960 0.011 0.000 0.208 564 G C -0.275 173.778 174.900 -1.412 0.000 1.248 564 G CA -0.748 43.183 45.100 -1.949 0.000 0.989 564 G HN 0.601 nan 8.290 nan 0.000 0.559 565 G N -2.313 105.938 108.800 -0.915 0.000 2.349 565 G HA2 0.643 4.609 3.960 0.011 0.000 0.294 565 G HA3 0.643 4.609 3.960 0.011 0.000 0.294 565 G C -1.789 172.997 174.900 -0.191 0.000 1.380 565 G CA -0.262 44.515 45.100 -0.539 0.000 0.811 565 G HN 1.175 nan 8.290 nan 0.000 0.519 566 F N 0.681 120.860 119.950 0.381 0.000 2.427 566 F HA 0.524 5.057 4.527 0.010 0.000 0.348 566 F C 0.777 176.878 175.800 0.502 0.000 1.125 566 F CA -0.790 57.475 58.000 0.442 0.000 0.989 566 F CB 2.026 41.179 39.000 0.255 0.000 1.165 566 F HN 0.250 nan 8.300 nan 0.000 0.442 567 V N 3.315 123.542 119.914 0.523 0.000 2.872 567 V HA -0.136 3.990 4.120 0.011 0.000 0.307 567 V C -0.279 175.969 176.094 0.258 0.000 1.072 567 V CA -0.227 62.172 62.300 0.165 0.000 1.148 567 V CB 0.712 32.632 31.823 0.162 0.000 0.954 567 V HN 0.783 nan 8.190 nan 0.000 0.490 568 W N 6.510 127.864 121.300 0.089 0.000 2.336 568 W HA 0.477 5.143 4.660 0.010 0.000 0.315 568 W C -0.981 175.523 176.519 -0.025 0.000 1.016 568 W CA -0.708 56.713 57.345 0.128 0.000 1.318 568 W CB 1.416 31.079 29.460 0.338 0.000 1.247 568 W HN 0.925 nan 8.180 nan 0.000 0.414 569 D N 2.464 122.551 120.400 -0.522 0.000 2.895 569 D HA 0.121 4.767 4.640 0.011 0.000 0.320 569 D C 0.764 176.862 176.300 -0.337 0.000 1.249 569 D CA -0.531 53.093 54.000 -0.627 0.000 0.997 569 D CB 0.210 40.121 40.800 -1.483 0.000 1.430 569 D HN 0.374 nan 8.370 nan 0.000 0.558 570 W N 0.330 121.339 121.300 -0.485 0.000 2.380 570 W HA 0.127 4.793 4.660 0.011 0.000 0.317 570 W C -0.028 176.276 176.519 -0.358 0.000 1.196 570 W CA 1.227 58.335 57.345 -0.394 0.000 1.307 570 W CB 0.285 29.538 29.460 -0.345 0.000 1.157 570 W HN 0.154 nan 8.180 nan 0.000 0.483 571 V N 2.553 122.231 119.914 -0.394 0.000 2.735 571 V HA 0.251 4.377 4.120 0.011 0.000 0.310 571 V C -0.837 175.070 176.094 -0.312 0.000 1.061 571 V CA -0.820 61.202 62.300 -0.463 0.000 0.913 571 V CB 1.552 33.215 31.823 -0.266 0.000 1.005 571 V HN -0.095 nan 8.190 nan 0.000 0.428 572 D N 4.040 124.264 120.400 -0.294 0.000 2.455 572 D HA 0.121 4.767 4.640 0.011 0.000 0.241 572 D C 0.225 176.419 176.300 -0.177 0.000 1.138 572 D CA 0.594 54.494 54.000 -0.167 0.000 0.877 572 D CB 0.963 41.758 40.800 -0.009 0.000 1.187 572 D HN 0.612 nan 8.370 nan 0.000 0.451 573 Q N 1.068 120.695 119.800 -0.288 0.000 3.122 573 Q HA 0.128 4.474 4.340 0.011 0.000 0.360 573 Q C -0.141 175.833 176.000 -0.044 0.000 1.300 573 Q CA -0.332 55.081 55.803 -0.651 0.000 0.982 573 Q CB 0.100 28.526 28.738 -0.521 0.000 1.534 573 Q HN 0.357 nan 8.270 nan 0.000 0.474 574 S N -0.228 115.565 115.700 0.155 0.000 2.616 574 S HA 0.617 5.094 4.470 0.011 0.000 0.277 574 S C -0.118 174.628 174.600 0.244 0.000 1.234 574 S CA -0.768 57.600 58.200 0.280 0.000 1.028 574 S CB 1.434 64.775 63.200 0.235 0.000 0.988 574 S HN 0.317 nan 8.310 nan 0.000 0.522 575 L N 1.977 123.260 121.223 0.099 0.000 2.342 575 L HA 0.513 4.860 4.340 0.011 0.000 0.271 575 L C -0.464 176.285 176.870 -0.201 0.000 1.008 575 L CA -1.183 53.597 54.840 -0.100 0.000 0.818 575 L CB 1.427 43.314 42.059 -0.287 0.000 1.296 575 L HN 0.549 nan 8.230 nan 0.000 0.427 576 I N 2.727 123.125 120.570 -0.287 0.000 2.416 576 I HA 0.251 4.428 4.170 0.011 0.000 0.288 576 I C 0.161 175.832 176.117 -0.743 0.000 1.051 576 I CA 0.009 60.998 61.300 -0.518 0.000 1.375 576 I CB 0.837 38.560 38.000 -0.462 0.000 1.407 576 I HN 0.572 nan 8.210 nan 0.000 0.516 577 K N 5.611 125.288 120.400 -1.205 0.000 2.340 577 K HA 0.569 4.896 4.320 0.011 0.000 0.244 577 K C -1.496 174.284 176.600 -1.368 0.000 0.973 577 K CA -0.715 54.808 56.287 -1.273 0.000 0.828 577 K CB 2.290 33.762 32.500 -1.713 0.000 1.226 577 K HN 0.227 nan 8.250 nan 0.000 0.437 578 Y N 0.810 120.884 120.300 -0.377 0.000 2.364 578 Y HA 0.136 4.692 4.550 0.011 0.000 0.340 578 Y C 0.144 176.138 175.900 0.156 0.000 0.975 578 Y CA -1.082 56.971 58.100 -0.079 0.000 1.089 578 Y CB 1.239 39.661 38.460 -0.063 0.000 1.192 578 Y HN 0.687 nan 8.280 nan 0.000 0.454 579 D N -0.122 120.525 120.400 0.410 0.000 2.447 579 D HA 0.115 4.761 4.640 0.011 0.000 0.265 579 D C 0.617 177.018 176.300 0.167 0.000 1.250 579 D CA -0.357 53.817 54.000 0.290 0.000 1.046 579 D CB 0.656 41.562 40.800 0.178 0.000 1.095 579 D HN 0.625 nan 8.370 nan 0.000 0.555 580 E N -0.769 119.489 120.200 0.097 0.000 2.086 580 E HA -0.230 4.126 4.350 0.011 0.000 0.200 580 E C 1.288 177.920 176.600 0.053 0.000 1.012 580 E CA 1.412 57.847 56.400 0.057 0.000 0.812 580 E CB -0.288 29.429 29.700 0.028 0.000 0.743 580 E HN 0.382 nan 8.360 nan 0.000 0.453 581 N N -0.389 118.347 118.700 0.060 0.000 2.521 581 N HA -0.018 4.728 4.740 0.011 0.000 0.188 581 N C 0.959 176.508 175.510 0.065 0.000 1.146 581 N CA 1.008 54.088 53.050 0.051 0.000 0.893 581 N CB 0.982 39.497 38.487 0.046 0.000 0.975 581 N HN 0.346 nan 8.380 nan 0.000 0.451 582 G N 0.879 109.739 108.800 0.101 0.000 2.143 582 G HA2 -0.244 3.722 3.960 0.011 0.000 0.249 582 G HA3 -0.244 3.722 3.960 0.011 0.000 0.249 582 G C -0.200 174.830 174.900 0.217 0.000 0.981 582 G CA -0.395 44.773 45.100 0.112 0.000 0.665 582 G HN 0.294 nan 8.290 nan 0.000 0.528 583 N N 2.209 121.037 118.700 0.213 0.000 2.458 583 N HA 0.367 5.113 4.740 0.011 0.000 0.270 583 N C -2.327 173.338 175.510 0.259 0.000 1.102 583 N CA -0.865 52.313 53.050 0.213 0.000 0.967 583 N CB 1.650 40.225 38.487 0.147 0.000 1.078 583 N HN 0.262 nan 8.380 nan 0.000 0.471 584 P HA 0.224 nan 4.420 nan 0.000 0.275 584 P C -0.516 176.737 177.300 -0.078 0.000 1.228 584 P CA -0.276 62.706 63.100 -0.197 0.000 0.786 584 P CB 0.711 32.282 31.700 -0.214 0.000 0.927 585 W N -0.379 120.673 121.300 -0.412 0.000 3.217 585 W HA 0.366 5.032 4.660 0.011 0.000 0.323 585 W C -1.450 174.858 176.519 -0.352 0.000 1.216 585 W CA -1.048 56.052 57.345 -0.407 0.000 1.194 585 W CB 0.300 29.300 29.460 -0.766 0.000 1.397 585 W HN 0.130 nan 8.180 nan 0.000 0.537 586 S N 1.898 117.602 115.700 0.007 0.000 2.455 586 S HA 0.512 4.988 4.470 0.011 0.000 0.278 586 S C 0.274 174.950 174.600 0.126 0.000 1.216 586 S CA -0.110 58.093 58.200 0.006 0.000 1.055 586 S CB 0.632 63.908 63.200 0.127 0.000 0.939 586 S HN 0.598 nan 8.310 nan 0.000 0.494 587 A N 3.156 125.912 122.820 -0.107 0.000 2.320 587 A HA 0.866 5.193 4.320 0.011 0.000 0.334 587 A C -0.604 177.164 177.584 0.306 0.000 1.147 587 A CA -0.745 51.281 52.037 -0.019 0.000 0.820 587 A CB 0.646 19.337 19.000 -0.515 0.000 1.218 587 A HN 0.815 nan 8.150 nan 0.000 0.482 588 Y N -0.623 119.958 120.300 0.467 0.000 2.944 588 Y HA 0.770 5.326 4.550 0.011 0.000 0.312 588 Y C 0.704 176.931 175.900 0.546 0.000 1.417 588 Y CA -1.615 56.762 58.100 0.462 0.000 1.105 588 Y CB -0.210 38.348 38.460 0.164 0.000 1.364 588 Y HN 0.944 nan 8.280 nan 0.000 0.540 589 G N -0.108 109.046 108.800 0.590 0.000 2.257 589 G HA2 0.347 4.314 3.960 0.011 0.000 0.235 589 G HA3 0.347 4.314 3.960 0.011 0.000 0.235 589 G C 1.017 176.253 174.900 0.559 0.000 1.225 589 G CA 0.581 45.964 45.100 0.470 0.000 0.878 589 G HN 1.999 nan 8.290 nan 0.000 0.505 590 G N 1.966 111.062 108.800 0.494 0.000 2.267 590 G HA2 -0.293 3.674 3.960 0.011 0.000 0.257 590 G HA3 -0.293 3.674 3.960 0.011 0.000 0.257 590 G C 0.922 176.030 174.900 0.347 0.000 0.998 590 G CA 0.720 46.050 45.100 0.384 0.000 0.620 590 G HN 0.665 nan 8.290 nan 0.000 0.529 591 D N -0.221 120.400 120.400 0.368 0.000 2.378 591 D HA 0.115 4.761 4.640 0.011 0.000 0.227 591 D C 1.066 177.277 176.300 -0.149 0.000 1.012 591 D CA 0.543 54.597 54.000 0.091 0.000 0.905 591 D CB -0.166 40.616 40.800 -0.031 0.000 0.895 591 D HN 0.479 nan 8.370 nan 0.000 0.532 592 F N -0.681 119.389 119.950 0.200 0.000 2.735 592 F HA 0.308 4.842 4.527 0.011 0.000 0.304 592 F C 1.759 177.646 175.800 0.144 0.000 1.119 592 F CA -0.334 57.747 58.000 0.135 0.000 1.280 592 F CB 0.757 39.831 39.000 0.123 0.000 0.994 592 F HN -0.072 nan 8.300 nan 0.000 0.520 593 G N 0.282 109.240 108.800 0.264 0.000 2.189 593 G HA2 -0.313 3.653 3.960 0.011 0.000 0.267 593 G HA3 -0.313 3.653 3.960 0.011 0.000 0.267 593 G C -0.020 175.019 174.900 0.231 0.000 0.975 593 G CA 0.316 45.540 45.100 0.207 0.000 0.644 593 G HN 0.455 nan 8.290 nan 0.000 0.537 594 D N 0.541 121.127 120.400 0.310 0.000 2.434 594 D HA 0.462 5.109 4.640 0.011 0.000 0.252 594 D C 0.078 176.509 176.300 0.218 0.000 1.185 594 D CA 1.079 55.251 54.000 0.286 0.000 0.886 594 D CB 1.406 42.431 40.800 0.376 0.000 1.148 594 D HN 0.353 nan 8.370 nan 0.000 0.483 595 T N 1.513 116.165 114.554 0.164 0.000 3.159 595 T HA 0.419 4.775 4.350 0.011 0.000 0.343 595 T C -2.721 172.030 174.700 0.084 0.000 1.364 595 T CA -1.137 61.033 62.100 0.117 0.000 1.102 595 T CB 1.051 69.986 68.868 0.112 0.000 1.263 595 T HN 0.201 nan 8.240 nan 0.000 0.477 596 P HA 0.477 nan 4.420 nan 0.000 0.271 596 P C -0.916 176.401 177.300 0.027 0.000 1.233 596 P CA -0.229 62.892 63.100 0.034 0.000 0.789 596 P CB 0.354 32.054 31.700 0.000 0.000 0.951 597 N N -1.615 117.103 118.700 0.029 0.000 2.825 597 N HA 0.295 5.042 4.740 0.011 0.000 0.253 597 N C -1.341 174.181 175.510 0.021 0.000 1.426 597 N CA -0.748 52.309 53.050 0.013 0.000 0.851 597 N CB 0.814 39.380 38.487 0.132 0.000 1.470 597 N HN 0.082 nan 8.380 nan 0.000 0.517 598 D N -0.258 120.156 120.400 0.023 0.000 2.772 598 D HA 0.146 4.793 4.640 0.011 0.000 0.272 598 D C 0.468 176.929 176.300 0.269 0.000 1.314 598 D CA -0.195 53.935 54.000 0.216 0.000 0.835 598 D CB 0.319 41.214 40.800 0.159 0.000 1.080 598 D HN 0.675 nan 8.370 nan 0.000 0.482 599 R N 1.064 121.649 120.500 0.143 0.000 3.449 599 R HA -0.345 4.002 4.340 0.011 0.000 0.598 599 R C 1.398 177.438 176.300 -0.433 0.000 0.241 599 R CA 1.698 57.789 56.100 -0.015 0.000 1.827 599 R CB -1.592 28.597 30.300 -0.184 0.000 0.813 599 R HN 0.179 nan 8.270 nan 0.000 0.632 600 Q N 1.582 120.707 119.800 -1.125 0.000 2.488 600 Q HA -0.065 4.281 4.340 0.011 0.000 0.211 600 Q C 1.724 177.350 176.000 -0.623 0.000 0.967 600 Q CA 1.514 56.588 55.803 -1.215 0.000 0.926 600 Q CB -0.031 27.879 28.738 -1.379 0.000 0.992 600 Q HN 0.607 nan 8.270 nan 0.000 0.506 601 F N 1.506 121.305 119.950 -0.251 0.000 2.583 601 F HA -0.061 4.473 4.527 0.011 0.000 0.297 601 F C 2.260 178.008 175.800 -0.087 0.000 1.131 601 F CA 0.493 58.453 58.000 -0.068 0.000 1.467 601 F CB -0.813 38.226 39.000 0.065 0.000 1.097 601 F HN 0.407 nan 8.300 nan 0.000 0.586 602 C N -1.530 117.556 119.300 -0.357 0.000 2.576 602 C HA 0.306 4.772 4.460 0.011 0.000 0.267 602 C C 0.960 175.796 174.990 -0.256 0.000 1.364 602 C CA -0.485 58.163 59.018 -0.617 0.000 1.723 602 C CB -1.741 25.059 27.740 -1.566 0.000 1.778 602 C HN 0.198 nan 8.230 nan 0.000 0.572 603 M N 3.859 123.375 119.600 -0.140 0.000 2.027 603 M HA 0.310 4.796 4.480 0.011 0.000 0.329 603 M C -0.430 175.848 176.300 -0.037 0.000 0.971 603 M CA 0.260 55.519 55.300 -0.069 0.000 0.933 603 M CB 0.324 32.924 32.600 -0.001 0.000 1.392 603 M HN 0.467 nan 8.290 nan 0.000 0.394 604 N N 1.364 120.008 118.700 -0.093 0.000 2.595 604 N HA 0.197 4.944 4.740 0.011 0.000 0.291 604 N C -0.313 175.027 175.510 -0.283 0.000 1.706 604 N CA -0.389 52.567 53.050 -0.158 0.000 0.867 604 N CB 1.040 39.389 38.487 -0.230 0.000 1.414 604 N HN 0.624 nan 8.380 nan 0.000 0.492 605 G N 0.220 108.822 108.800 -0.329 0.000 2.462 605 G HA2 0.490 4.456 3.960 0.011 0.000 0.319 605 G HA3 0.490 4.456 3.960 0.011 0.000 0.319 605 G C 0.850 175.353 174.900 -0.661 0.000 1.171 605 G CA -0.722 44.079 45.100 -0.498 0.000 0.920 605 G HN 0.145 nan 8.290 nan 0.000 0.499 606 L N -0.308 120.515 121.223 -0.666 0.000 2.395 606 L HA 0.115 4.462 4.340 0.011 0.000 0.218 606 L C 0.828 177.124 176.870 -0.957 0.000 1.130 606 L CA 0.425 54.886 54.840 -0.633 0.000 0.826 606 L CB -0.299 41.513 42.059 -0.411 0.000 0.941 606 L HN 0.377 nan 8.230 nan 0.000 0.451 607 V N -5.230 113.961 119.914 -1.205 0.000 2.962 607 V HA 0.483 4.609 4.120 0.011 0.000 0.313 607 V C -0.207 175.329 176.094 -0.930 0.000 1.099 607 V CA -1.247 60.428 62.300 -1.043 0.000 0.971 607 V CB 1.635 32.894 31.823 -0.940 0.000 1.028 607 V HN -0.169 nan 8.190 nan 0.000 0.430 608 F N 1.737 121.450 119.950 -0.395 0.000 2.480 608 F HA 0.564 5.098 4.527 0.011 0.000 0.319 608 F C 1.923 177.616 175.800 -0.178 0.000 1.230 608 F CA 0.659 58.581 58.000 -0.130 0.000 1.285 608 F CB 0.709 39.714 39.000 0.008 0.000 1.208 608 F HN 0.792 nan 8.300 nan 0.000 0.579 609 A N 0.726 123.624 122.820 0.129 0.000 2.024 609 A HA -0.209 4.118 4.320 0.011 0.000 0.220 609 A C 1.645 179.190 177.584 -0.065 0.000 1.164 609 A CA 1.874 53.934 52.037 0.038 0.000 0.643 609 A CB -0.981 18.076 19.000 0.095 0.000 0.806 609 A HN 0.773 nan 8.150 nan 0.000 0.451 610 D N -2.755 117.626 120.400 -0.032 0.000 2.319 610 D HA 0.105 4.752 4.640 0.011 0.000 0.230 610 D C 0.574 176.850 176.300 -0.040 0.000 1.094 610 D CA -0.021 53.930 54.000 -0.081 0.000 0.856 610 D CB -0.155 40.605 40.800 -0.067 0.000 0.915 610 D HN 0.167 nan 8.370 nan 0.000 0.517 611 R N -1.490 118.984 120.500 -0.043 0.000 3.919 611 R HA -0.121 4.225 4.340 0.011 0.000 0.412 611 R C -0.427 175.860 176.300 -0.022 0.000 1.102 611 R CA 1.006 57.068 56.100 -0.063 0.000 1.082 611 R CB -3.223 27.082 30.300 0.008 0.000 1.671 611 R HN 0.231 nan 8.270 nan 0.000 0.540 612 T N 2.170 116.766 114.554 0.070 0.000 2.851 612 T HA 0.352 4.708 4.350 0.011 0.000 0.298 612 T C -2.320 172.477 174.700 0.161 0.000 0.977 612 T CA -0.943 61.243 62.100 0.143 0.000 1.126 612 T CB 1.135 70.117 68.868 0.190 0.000 0.916 612 T HN -0.098 nan 8.240 nan 0.000 0.529 613 P HA 0.128 nan 4.420 nan 0.000 0.268 613 P C -0.117 177.197 177.300 0.022 0.000 1.205 613 P CA -0.083 62.994 63.100 -0.039 0.000 0.771 613 P CB 0.377 32.077 31.700 0.001 0.000 0.858 614 H N 3.166 122.046 119.070 -0.316 0.000 2.505 614 H HA 0.122 4.685 4.556 0.011 0.000 0.355 614 H C -1.309 173.919 175.328 -0.167 0.000 1.179 614 H CA -1.984 53.849 56.048 -0.358 0.000 1.343 614 H CB 0.598 30.118 29.762 -0.403 0.000 1.501 614 H HN 0.351 nan 8.280 nan 0.000 0.569 615 P HA -0.180 nan 4.420 nan 0.000 0.218 615 P C 1.106 178.416 177.300 0.017 0.000 1.148 615 P CA 1.560 64.656 63.100 -0.006 0.000 0.822 615 P CB 0.083 31.778 31.700 -0.008 0.000 0.784 616 A N -0.676 122.158 122.820 0.023 0.000 2.024 616 A HA -0.188 4.138 4.320 0.011 0.000 0.220 616 A C 2.054 179.607 177.584 -0.052 0.000 1.164 616 A CA 1.218 53.238 52.037 -0.028 0.000 0.643 616 A CB -1.579 17.384 19.000 -0.062 0.000 0.806 616 A HN 0.159 nan 8.150 nan 0.000 0.451 617 L N -0.497 120.712 121.223 -0.023 0.000 2.079 617 L HA -0.135 4.211 4.340 0.011 0.000 0.210 617 L C 2.508 179.437 176.870 0.098 0.000 1.081 617 L CA 2.756 57.616 54.840 0.033 0.000 0.752 617 L CB -1.061 41.010 42.059 0.021 0.000 0.896 617 L HN 0.381 nan 8.230 nan 0.000 0.433 618 T N -1.749 112.867 114.554 0.105 0.000 2.915 618 T HA -0.186 4.170 4.350 0.011 0.000 0.269 618 T C 1.795 176.621 174.700 0.210 0.000 1.071 618 T CA 1.384 63.602 62.100 0.197 0.000 1.132 618 T CB -0.117 68.849 68.868 0.163 0.000 0.878 618 T HN 0.485 nan 8.240 nan 0.000 0.479 619 E N 0.657 120.923 120.200 0.112 0.000 2.106 619 E HA 0.106 4.463 4.350 0.011 0.000 0.192 619 E C 2.141 178.790 176.600 0.081 0.000 0.984 619 E CA 1.250 57.724 56.400 0.124 0.000 0.806 619 E CB -0.551 29.191 29.700 0.070 0.000 0.750 619 E HN 0.533 nan 8.360 nan 0.000 0.458 620 A N 1.044 123.809 122.820 -0.092 0.000 1.873 620 A HA -0.194 4.133 4.320 0.011 0.000 0.215 620 A C 2.163 179.660 177.584 -0.146 0.000 1.186 620 A CA 1.821 53.761 52.037 -0.161 0.000 0.616 620 A CB -0.620 18.271 19.000 -0.181 0.000 0.823 620 A HN 0.256 nan 8.150 nan 0.000 0.442 621 K N -1.181 119.197 120.400 -0.038 0.000 2.044 621 K HA -0.306 4.021 4.320 0.011 0.000 0.210 621 K C 2.063 178.559 176.600 -0.174 0.000 1.049 621 K CA 2.117 58.382 56.287 -0.038 0.000 0.927 621 K CB -0.366 32.260 32.500 0.210 0.000 0.713 621 K HN 0.638 nan 8.250 nan 0.000 0.443 622 H N 0.337 119.233 119.070 -0.290 0.000 2.321 622 H HA -0.038 4.524 4.556 0.011 0.000 0.300 622 H C 1.959 177.022 175.328 -0.441 0.000 1.087 622 H CA 1.851 57.550 56.048 -0.580 0.000 1.319 622 H CB 0.069 29.546 29.762 -0.475 0.000 1.379 622 H HN 0.243 nan 8.280 nan 0.000 0.501 623 Q N 0.187 119.746 119.800 -0.401 0.000 2.224 623 Q HA -0.066 4.280 4.340 0.011 0.000 0.203 623 Q C 1.359 176.811 176.000 -0.913 0.000 0.970 623 Q CA 1.082 56.560 55.803 -0.541 0.000 0.865 623 Q CB 0.100 28.666 28.738 -0.287 0.000 0.922 623 Q HN 0.706 nan 8.270 nan 0.000 0.445 624 Q N 0.184 119.406 119.800 -0.963 0.000 2.247 624 Q HA 0.101 4.448 4.340 0.011 0.000 0.205 624 Q C -0.219 175.214 176.000 -0.945 0.000 0.896 624 Q CA -0.211 54.861 55.803 -1.220 0.000 0.950 624 Q CB 0.377 28.430 28.738 -1.143 0.000 1.054 624 Q HN 0.354 nan 8.270 nan 0.000 0.482 625 Q N -0.356 119.035 119.800 -0.682 0.000 2.386 625 Q HA -0.018 4.328 4.340 0.011 0.000 0.282 625 Q C -0.134 175.508 176.000 -0.596 0.000 1.050 625 Q CA 0.341 55.874 55.803 -0.451 0.000 0.918 625 Q CB 0.474 29.029 28.738 -0.305 0.000 1.266 625 Q HN 0.323 nan 8.270 nan 0.000 0.423 626 F N 0.624 120.322 119.950 -0.421 0.000 2.765 626 F HA 0.195 4.728 4.527 0.010 0.000 0.302 626 F C -0.185 175.037 175.800 -0.962 0.000 1.111 626 F CA 0.055 57.570 58.000 -0.808 0.000 1.359 626 F CB 0.486 38.682 39.000 -1.340 0.000 1.097 626 F HN 0.312 nan 8.300 nan 0.000 0.577 627 F N 0.240 120.072 119.950 -0.196 0.000 2.547 627 F HA 0.471 5.005 4.527 0.011 0.000 0.316 627 F C -0.197 175.222 175.800 -0.636 0.000 1.121 627 F CA -1.204 56.580 58.000 -0.360 0.000 0.911 627 F CB 1.343 40.164 39.000 -0.298 0.000 1.179 627 F HN -0.323 nan 8.300 nan 0.000 0.443 628 Q N 3.064 122.592 119.800 -0.454 0.000 2.266 628 Q HA 0.584 4.930 4.340 0.011 0.000 0.261 628 Q C -1.329 174.366 176.000 -0.507 0.000 0.985 628 Q CA -0.582 54.985 55.803 -0.394 0.000 0.873 628 Q CB 2.712 31.354 28.738 -0.160 0.000 1.306 628 Q HN 0.521 nan 8.270 nan 0.000 0.447 629 F N 0.252 120.327 119.950 0.208 0.000 2.563 629 F HA 0.618 5.151 4.527 0.011 0.000 0.316 629 F C 0.269 176.320 175.800 0.419 0.000 1.076 629 F CA -0.856 57.349 58.000 0.342 0.000 0.921 629 F CB 1.996 41.337 39.000 0.568 0.000 1.209 629 F HN 0.177 nan 8.300 nan 0.000 0.462 630 R N 1.496 122.296 120.500 0.499 0.000 2.673 630 R HA 0.714 5.061 4.340 0.011 0.000 0.281 630 R C -2.027 174.277 176.300 0.008 0.000 0.991 630 R CA -1.111 55.182 56.100 0.322 0.000 0.896 630 R CB 2.817 33.218 30.300 0.170 0.000 1.201 630 R HN 0.562 nan 8.270 nan 0.000 0.457 631 L N 0.729 121.826 121.223 -0.211 0.000 2.346 631 L HA 0.613 4.960 4.340 0.011 0.000 0.276 631 L C -1.018 175.685 176.870 -0.278 0.000 1.006 631 L CA 0.079 54.590 54.840 -0.548 0.000 0.817 631 L CB 2.202 43.478 42.059 -1.305 0.000 1.272 631 L HN 0.558 nan 8.230 nan 0.000 0.421 632 S N 3.545 119.104 115.700 -0.236 0.000 2.511 632 S HA 0.639 5.116 4.470 0.011 0.000 0.233 632 S C 0.139 174.651 174.600 -0.147 0.000 1.104 632 S CA 0.242 58.354 58.200 -0.146 0.000 1.129 632 S CB -0.076 63.070 63.200 -0.091 0.000 1.159 632 S HN 1.563 nan 8.310 nan 0.000 0.451 633 G N 4.329 113.041 108.800 -0.146 0.000 2.557 633 G HA2 -0.264 3.703 3.960 0.011 0.000 0.292 633 G HA3 -0.264 3.703 3.960 0.011 0.000 0.292 633 G C 0.318 175.119 174.900 -0.164 0.000 1.162 633 G CA 0.479 45.502 45.100 -0.129 0.000 0.964 633 G HN 0.622 nan 8.290 nan 0.000 0.541 634 Q N 1.234 120.943 119.800 -0.152 0.000 2.247 634 Q HA 0.232 4.578 4.340 0.011 0.000 0.204 634 Q C 0.351 176.230 176.000 -0.202 0.000 0.872 634 Q CA 0.725 56.419 55.803 -0.182 0.000 0.951 634 Q CB 0.824 29.473 28.738 -0.148 0.000 1.099 634 Q HN 0.507 nan 8.270 nan 0.000 0.501 635 T N 1.390 115.834 114.554 -0.182 0.000 2.771 635 T HA 0.525 4.882 4.350 0.011 0.000 0.281 635 T C 0.172 174.758 174.700 -0.189 0.000 0.982 635 T CA -0.290 61.713 62.100 -0.161 0.000 0.978 635 T CB 1.179 69.983 68.868 -0.107 0.000 0.930 635 T HN 0.011 nan 8.240 nan 0.000 0.447 636 I N 2.895 123.365 120.570 -0.167 0.000 2.321 636 I HA 0.301 4.478 4.170 0.011 0.000 0.291 636 I C 0.536 176.649 176.117 -0.006 0.000 0.998 636 I CA -0.612 60.606 61.300 -0.136 0.000 1.227 636 I CB 1.301 39.234 38.000 -0.110 0.000 1.368 636 I HN 0.568 nan 8.210 nan 0.000 0.466 637 E N 6.699 126.922 120.200 0.038 0.000 2.146 637 E HA 0.389 4.745 4.350 0.011 0.000 0.282 637 E C -1.432 175.258 176.600 0.149 0.000 0.989 637 E CA -0.561 55.883 56.400 0.073 0.000 0.799 637 E CB 1.465 31.194 29.700 0.049 0.000 1.088 637 E HN 0.346 nan 8.360 nan 0.000 0.397 638 V N 4.402 124.392 119.914 0.126 0.000 2.398 638 V HA 0.299 4.426 4.120 0.011 0.000 0.286 638 V C -0.056 176.061 176.094 0.038 0.000 1.026 638 V CA -0.542 61.812 62.300 0.091 0.000 0.868 638 V CB 1.710 33.611 31.823 0.130 0.000 0.982 638 V HN 0.702 nan 8.190 nan 0.000 0.443 639 T N 3.334 117.873 114.554 -0.025 0.000 2.807 639 T HA 0.343 4.699 4.350 0.011 0.000 0.279 639 T C -0.062 174.648 174.700 0.017 0.000 0.993 639 T CA -0.281 61.819 62.100 0.000 0.000 0.970 639 T CB 1.552 70.401 68.868 -0.032 0.000 0.950 639 T HN 0.666 nan 8.240 nan 0.000 0.441 640 S N 1.823 117.552 115.700 0.047 0.000 2.499 640 S HA 0.223 4.699 4.470 0.011 0.000 0.279 640 S C 0.797 175.283 174.600 -0.189 0.000 1.219 640 S CA -0.566 57.594 58.200 -0.066 0.000 1.062 640 S CB 0.597 63.846 63.200 0.082 0.000 0.978 640 S HN 0.718 nan 8.310 nan 0.000 0.489 641 E N 2.872 122.849 120.200 -0.372 0.000 2.481 641 E HA 0.079 4.435 4.350 0.011 0.000 0.198 641 E C -0.718 175.716 176.600 -0.278 0.000 1.027 641 E CA -0.097 56.123 56.400 -0.300 0.000 0.900 641 E CB 0.250 29.745 29.700 -0.340 0.000 0.993 641 E HN 0.664 nan 8.360 nan 0.000 0.482 642 Y N 0.577 120.752 120.300 -0.208 0.000 2.480 642 Y HA -0.040 4.516 4.550 0.010 0.000 0.338 642 Y C 1.410 177.144 175.900 -0.275 0.000 1.220 642 Y CA 0.507 58.485 58.100 -0.205 0.000 1.430 642 Y CB 0.566 38.886 38.460 -0.233 0.000 1.311 642 Y HN -0.045 nan 8.280 nan 0.000 0.575 643 L N 1.120 122.169 121.223 -0.289 0.000 2.515 643 L HA 0.057 4.403 4.340 0.011 0.000 0.223 643 L C 0.590 176.971 176.870 -0.815 0.000 1.079 643 L CA 0.499 54.910 54.840 -0.715 0.000 0.857 643 L CB 0.032 41.341 42.059 -1.250 0.000 1.050 643 L HN 0.552 nan 8.230 nan 0.000 0.476 644 F N -0.660 119.308 119.950 0.030 0.000 2.784 644 F HA 0.223 4.756 4.527 0.010 0.000 0.316 644 F C 1.209 176.997 175.800 -0.020 0.000 1.026 644 F CA -0.788 57.203 58.000 -0.015 0.000 1.188 644 F CB 0.087 39.056 39.000 -0.050 0.000 0.999 644 F HN -0.134 nan 8.300 nan 0.000 0.605 645 R N -0.001 120.544 120.500 0.075 0.000 2.643 645 R HA 0.504 4.851 4.340 0.011 0.000 0.272 645 R C -0.967 175.340 176.300 0.012 0.000 0.995 645 R CA -0.656 55.439 56.100 -0.008 0.000 1.032 645 R CB 0.962 31.154 30.300 -0.180 0.000 1.126 645 R HN 0.098 nan 8.270 nan 0.000 0.505 646 H N 0.319 119.373 119.070 -0.027 0.000 2.505 646 H HA 0.142 4.705 4.556 0.010 0.000 0.355 646 H C -0.110 175.234 175.328 0.026 0.000 1.179 646 H CA -0.068 55.997 56.048 0.027 0.000 1.343 646 H CB 1.339 31.120 29.762 0.031 0.000 1.501 646 H HN 0.747 nan 8.280 nan 0.000 0.569 647 S N 1.773 117.341 115.700 -0.220 0.000 4.085 647 S HA -0.016 4.461 4.470 0.011 0.000 0.189 647 S C -0.001 174.664 174.600 0.107 0.000 1.392 647 S CA -0.188 58.034 58.200 0.036 0.000 0.972 647 S CB -0.935 62.314 63.200 0.081 0.000 1.482 647 S HN 0.715 nan 8.310 nan 0.000 0.446 648 D N 0.496 120.993 120.400 0.162 0.000 2.336 648 D HA 0.010 4.656 4.640 0.011 0.000 0.229 648 D C 0.473 176.822 176.300 0.082 0.000 1.061 648 D CA 0.037 54.132 54.000 0.158 0.000 0.875 648 D CB -0.276 40.599 40.800 0.126 0.000 0.904 648 D HN 0.515 nan 8.370 nan 0.000 0.525 649 N N -0.112 118.630 118.700 0.071 0.000 2.620 649 N HA 0.153 4.899 4.740 0.011 0.000 0.277 649 N C -1.629 173.920 175.510 0.065 0.000 1.726 649 N CA -0.267 52.815 53.050 0.052 0.000 0.840 649 N CB 0.297 38.806 38.487 0.038 0.000 1.379 649 N HN -0.044 nan 8.380 nan 0.000 0.506 650 E N -0.139 120.088 120.200 0.044 0.000 2.343 650 E HA 0.563 4.919 4.350 0.011 0.000 0.278 650 E C -1.535 175.043 176.600 -0.037 0.000 0.910 650 E CA -0.764 55.639 56.400 0.005 0.000 0.757 650 E CB 2.003 31.685 29.700 -0.031 0.000 1.218 650 E HN 0.259 nan 8.360 nan 0.000 0.435 651 L N -0.183 120.997 121.223 -0.072 0.000 2.434 651 L HA 0.716 5.063 4.340 0.011 0.000 0.260 651 L C -1.655 175.153 176.870 -0.104 0.000 0.983 651 L CA -1.049 53.745 54.840 -0.077 0.000 0.820 651 L CB 1.019 43.024 42.059 -0.090 0.000 1.361 651 L HN 0.468 nan 8.230 nan 0.000 0.410 652 L N 2.890 124.109 121.223 -0.007 0.000 2.272 652 L HA 0.583 4.930 4.340 0.011 0.000 0.289 652 L C -0.748 176.241 176.870 0.199 0.000 1.032 652 L CA 0.246 55.134 54.840 0.080 0.000 0.810 652 L CB 0.180 42.328 42.059 0.147 0.000 1.205 652 L HN 0.582 nan 8.230 nan 0.000 0.422 653 H N 5.434 124.587 119.070 0.138 0.000 2.489 653 H HA 0.453 5.016 4.556 0.011 0.000 0.322 653 H C -0.878 174.555 175.328 0.175 0.000 1.091 653 H CA -0.498 55.604 56.048 0.090 0.000 1.291 653 H CB 0.805 30.580 29.762 0.022 0.000 1.436 653 H HN 0.654 nan 8.280 nan 0.000 0.480 654 W N 3.679 125.071 121.300 0.153 0.000 2.864 654 W HA 0.598 5.265 4.660 0.011 0.000 0.343 654 W C -1.550 175.008 176.519 0.065 0.000 1.109 654 W CA -1.309 56.097 57.345 0.103 0.000 1.192 654 W CB 1.423 30.933 29.460 0.083 0.000 1.426 654 W HN 0.494 nan 8.180 nan 0.000 0.529 655 M N 3.256 123.006 119.600 0.249 0.000 2.322 655 M HA 0.566 5.053 4.480 0.011 0.000 0.286 655 M C -2.511 173.941 176.300 0.253 0.000 1.111 655 M CA -0.529 54.805 55.300 0.057 0.000 0.941 655 M CB 2.037 34.620 32.600 -0.030 0.000 1.671 655 M HN 0.208 nan 8.290 nan 0.000 0.470 656 V N 4.136 124.185 119.914 0.226 0.000 2.448 656 V HA 1.004 5.130 4.120 0.011 0.000 0.295 656 V C -0.480 175.706 176.094 0.154 0.000 1.025 656 V CA -0.234 62.218 62.300 0.254 0.000 0.859 656 V CB 1.201 33.208 31.823 0.307 0.000 0.988 656 V HN 1.053 nan 8.190 nan 0.000 0.431 657 A N 4.597 127.521 122.820 0.174 0.000 2.475 657 A HA 0.886 5.213 4.320 0.011 0.000 0.301 657 A C -1.445 176.247 177.584 0.179 0.000 1.059 657 A CA -0.642 51.467 52.037 0.121 0.000 0.710 657 A CB 1.731 20.762 19.000 0.052 0.000 1.288 657 A HN 0.800 nan 8.150 nan 0.000 0.408 658 L N 1.770 123.069 121.223 0.125 0.000 2.264 658 L HA 0.460 4.806 4.340 0.011 0.000 0.287 658 L C -0.528 176.429 176.870 0.144 0.000 1.039 658 L CA 0.267 55.195 54.840 0.146 0.000 0.829 658 L CB 0.084 42.198 42.059 0.092 0.000 1.211 658 L HN 0.751 nan 8.230 nan 0.000 0.427 659 D N 4.904 125.453 120.400 0.250 0.000 2.704 659 D HA -0.217 4.430 4.640 0.011 0.000 0.232 659 D C 1.186 177.508 176.300 0.037 0.000 1.183 659 D CA 1.376 55.517 54.000 0.236 0.000 0.647 659 D CB -0.954 39.955 40.800 0.181 0.000 1.013 659 D HN 1.149 nan 8.370 nan 0.000 0.415 660 G N -0.424 108.355 108.800 -0.036 0.000 2.267 660 G HA2 -0.381 3.585 3.960 0.011 0.000 0.257 660 G HA3 -0.381 3.585 3.960 0.011 0.000 0.257 660 G C 0.326 175.135 174.900 -0.151 0.000 0.998 660 G CA 0.587 45.560 45.100 -0.210 0.000 0.620 660 G HN 0.486 nan 8.290 nan 0.000 0.529 661 K N 1.920 122.282 120.400 -0.063 0.000 2.284 661 K HA 0.438 4.764 4.320 0.011 0.000 0.287 661 K C -2.586 173.994 176.600 -0.033 0.000 1.081 661 K CA -1.799 54.456 56.287 -0.053 0.000 0.910 661 K CB 1.261 33.747 32.500 -0.023 0.000 1.088 661 K HN 0.081 nan 8.250 nan 0.000 0.478 662 P HA -0.050 nan 4.420 nan 0.000 0.263 662 P C -0.070 177.215 177.300 -0.026 0.000 1.195 662 P CA 0.379 63.448 63.100 -0.052 0.000 0.762 662 P CB 0.585 32.231 31.700 -0.089 0.000 0.799 663 L N 2.038 123.262 121.223 0.002 0.000 2.526 663 L HA 0.470 4.817 4.340 0.011 0.000 0.210 663 L C 0.865 177.744 176.870 0.014 0.000 1.048 663 L CA 0.351 55.203 54.840 0.020 0.000 0.852 663 L CB 0.076 42.169 42.059 0.056 0.000 1.128 663 L HN 0.355 nan 8.230 nan 0.000 0.482 664 A N -0.377 122.450 122.820 0.012 0.000 2.604 664 A HA 0.681 5.007 4.320 0.011 0.000 0.295 664 A C -0.826 176.598 177.584 -0.267 0.000 1.067 664 A CA -0.028 51.990 52.037 -0.032 0.000 0.683 664 A CB 1.687 20.781 19.000 0.156 0.000 1.281 664 A HN 0.098 nan 8.150 nan 0.000 0.407 665 S N -0.399 114.927 115.700 -0.624 0.000 2.672 665 S HA 0.993 5.469 4.470 0.011 0.000 0.271 665 S C -0.183 173.554 174.600 -1.439 0.000 1.171 665 S CA -0.079 57.402 58.200 -1.198 0.000 0.817 665 S CB 1.130 63.951 63.200 -0.633 0.000 1.150 665 S HN 2.680 nan 8.310 nan 0.000 0.478 666 G N -0.185 107.660 108.800 -1.590 0.000 2.349 666 G HA2 0.561 4.527 3.960 0.011 0.000 0.294 666 G HA3 0.561 4.527 3.960 0.011 0.000 0.294 666 G C -2.321 172.339 174.900 -0.399 0.000 1.380 666 G CA -0.404 44.229 45.100 -0.778 0.000 0.811 666 G HN 1.161 nan 8.290 nan 0.000 0.519 667 E N -1.471 118.784 120.200 0.093 0.000 2.331 667 E HA 0.699 5.055 4.350 0.011 0.000 0.275 667 E C -1.622 175.149 176.600 0.284 0.000 0.895 667 E CA -1.051 55.532 56.400 0.304 0.000 0.753 667 E CB 2.776 32.708 29.700 0.387 0.000 1.216 667 E HN 0.497 nan 8.360 nan 0.000 0.434 668 V N 2.174 122.245 119.914 0.261 0.000 2.686 668 V HA 0.401 4.527 4.120 0.011 0.000 0.306 668 V C -2.468 173.692 176.094 0.111 0.000 1.065 668 V CA -2.128 60.278 62.300 0.178 0.000 0.894 668 V CB 1.955 33.883 31.823 0.174 0.000 1.004 668 V HN 0.690 nan 8.190 nan 0.000 0.424 669 P HA 0.230 nan 4.420 nan 0.000 0.268 669 P C -0.701 176.626 177.300 0.045 0.000 1.204 669 P CA -0.017 63.116 63.100 0.055 0.000 0.768 669 P CB 0.518 32.254 31.700 0.060 0.000 0.842 670 L N 3.429 124.660 121.223 0.014 0.000 2.276 670 L HA 0.305 4.652 4.340 0.011 0.000 0.286 670 L C 0.291 177.167 176.870 0.010 0.000 1.061 670 L CA 0.179 55.008 54.840 -0.019 0.000 0.807 670 L CB 0.793 42.777 42.059 -0.124 0.000 1.177 670 L HN 0.358 nan 8.230 nan 0.000 0.429 671 D N 3.381 123.797 120.400 0.025 0.000 2.468 671 D HA 0.267 4.913 4.640 0.011 0.000 0.272 671 D C -1.355 174.929 176.300 -0.027 0.000 1.221 671 D CA -0.083 53.972 54.000 0.091 0.000 0.860 671 D CB 1.218 42.137 40.800 0.198 0.000 1.190 671 D HN 0.089 nan 8.370 nan 0.000 0.509 672 V N 1.821 121.583 119.914 -0.253 0.000 2.495 672 V HA 0.863 4.989 4.120 0.011 0.000 0.298 672 V C -0.078 175.837 176.094 -0.298 0.000 1.031 672 V CA -0.518 61.702 62.300 -0.133 0.000 0.871 672 V CB 1.394 33.244 31.823 0.045 0.000 0.988 672 V HN 0.509 nan 8.190 nan 0.000 0.432 673 A N 8.770 131.569 122.820 -0.036 0.000 2.332 673 A HA 0.730 5.056 4.320 0.011 0.000 0.258 673 A C -2.434 175.184 177.584 0.056 0.000 1.087 673 A CA -1.483 50.611 52.037 0.095 0.000 0.802 673 A CB 0.091 19.194 19.000 0.171 0.000 1.042 673 A HN 0.746 nan 8.150 nan 0.000 0.489 674 P HA 0.001 nan 4.420 nan 0.000 0.264 674 P C -0.557 176.743 177.300 -0.000 0.000 1.193 674 P CA 0.625 63.743 63.100 0.030 0.000 0.763 674 P CB 0.727 32.431 31.700 0.005 0.000 0.810 675 Q N -1.001 118.783 119.800 -0.027 0.000 2.362 675 Q HA -0.161 4.185 4.340 0.011 0.000 0.220 675 Q C 0.767 176.763 176.000 -0.007 0.000 0.713 675 Q CA 1.810 57.590 55.803 -0.037 0.000 1.345 675 Q CB -2.495 26.215 28.738 -0.046 0.000 1.570 675 Q HN 0.789 nan 8.270 nan 0.000 0.701 676 G N 0.142 108.952 108.800 0.018 0.000 2.535 676 G HA2 0.571 4.537 3.960 0.011 0.000 0.303 676 G HA3 0.571 4.537 3.960 0.011 0.000 0.303 676 G C -0.246 174.676 174.900 0.037 0.000 1.237 676 G CA -0.525 44.594 45.100 0.032 0.000 0.986 676 G HN 0.000 nan 8.290 nan 0.000 0.494 677 K N -0.700 119.723 120.400 0.039 0.000 2.443 677 K HA 0.507 4.833 4.320 0.011 0.000 0.251 677 K C -0.980 175.647 176.600 0.045 0.000 0.972 677 K CA -0.670 55.642 56.287 0.041 0.000 0.833 677 K CB 2.632 35.150 32.500 0.029 0.000 1.317 677 K HN 0.502 nan 8.250 nan 0.000 0.441 678 Q N 2.334 122.163 119.800 0.048 0.000 2.289 678 Q HA 0.382 4.728 4.340 0.011 0.000 0.270 678 Q C -1.705 174.319 176.000 0.041 0.000 1.038 678 Q CA -0.642 55.188 55.803 0.046 0.000 0.812 678 Q CB 1.526 30.293 28.738 0.048 0.000 1.300 678 Q HN 0.532 nan 8.270 nan 0.000 0.427 679 L N 5.097 126.335 121.223 0.026 0.000 2.282 679 L HA 0.561 4.907 4.340 0.011 0.000 0.288 679 L C -0.481 176.389 176.870 -0.001 0.000 1.033 679 L CA -0.584 54.261 54.840 0.009 0.000 0.807 679 L CB 1.194 43.251 42.059 -0.002 0.000 1.209 679 L HN 0.560 nan 8.230 nan 0.000 0.423 680 I N 3.108 123.667 120.570 -0.017 0.000 2.411 680 I HA 0.259 4.436 4.170 0.011 0.000 0.284 680 I C -0.071 175.984 176.117 -0.103 0.000 1.012 680 I CA -0.372 60.904 61.300 -0.040 0.000 1.119 680 I CB 1.978 39.966 38.000 -0.020 0.000 1.261 680 I HN 0.634 nan 8.210 nan 0.000 0.448 681 E N 7.026 127.164 120.200 -0.104 0.000 2.200 681 E HA 0.416 4.773 4.350 0.011 0.000 0.283 681 E C -0.945 175.527 176.600 -0.213 0.000 1.015 681 E CA -0.629 55.685 56.400 -0.144 0.000 0.819 681 E CB 1.184 30.825 29.700 -0.098 0.000 1.081 681 E HN 0.512 nan 8.360 nan 0.000 0.397 682 L N 5.746 126.776 121.223 -0.321 0.000 2.395 682 L HA 0.319 4.666 4.340 0.011 0.000 0.269 682 L C -1.917 174.763 176.870 -0.316 0.000 1.133 682 L CA -1.962 52.572 54.840 -0.510 0.000 0.812 682 L CB 0.369 41.988 42.059 -0.733 0.000 1.125 682 L HN 0.440 nan 8.230 nan 0.000 0.452 683 P HA -0.060 nan 4.420 nan 0.000 0.271 683 P C -0.503 176.758 177.300 -0.065 0.000 1.238 683 P CA -0.320 62.739 63.100 -0.069 0.000 0.794 683 P CB 0.370 32.118 31.700 0.080 0.000 0.959 684 E N 1.476 121.666 120.200 -0.016 0.000 2.366 684 E HA 0.050 4.407 4.350 0.011 0.000 0.266 684 E C -1.011 175.599 176.600 0.018 0.000 1.015 684 E CA 0.199 56.592 56.400 -0.012 0.000 0.906 684 E CB -0.031 29.668 29.700 -0.001 0.000 0.979 684 E HN 0.307 nan 8.360 nan 0.000 0.443 685 L N 7.940 129.169 121.223 0.009 0.000 2.276 685 L HA 0.343 4.689 4.340 0.011 0.000 0.286 685 L C -1.929 174.959 176.870 0.030 0.000 1.024 685 L CA -2.084 52.780 54.840 0.041 0.000 0.826 685 L CB 1.660 43.745 42.059 0.043 0.000 1.211 685 L HN 0.334 nan 8.230 nan 0.000 0.422 686 P HA 0.066 nan 4.420 nan 0.000 0.270 686 P C -0.803 176.513 177.300 0.026 0.000 1.242 686 P CA -0.526 62.589 63.100 0.026 0.000 0.768 686 P CB 0.831 32.548 31.700 0.027 0.000 0.820 687 Q N 4.792 124.603 119.800 0.017 0.000 2.368 687 Q HA 0.026 4.372 4.340 0.011 0.000 0.331 687 Q C -1.490 174.522 176.000 0.021 0.000 1.086 687 Q CA 0.011 55.824 55.803 0.016 0.000 1.031 687 Q CB -0.943 27.800 28.738 0.009 0.000 1.125 687 Q HN 0.469 nan 8.270 nan 0.000 0.389 688 P HA -0.018 nan 4.420 nan 0.000 0.271 688 P C -0.137 177.177 177.300 0.023 0.000 1.233 688 P CA -0.218 62.899 63.100 0.028 0.000 0.789 688 P CB 0.997 32.719 31.700 0.037 0.000 0.951 689 E N 0.498 120.711 120.200 0.022 0.000 2.012 689 E HA -0.028 4.328 4.350 0.011 0.000 0.192 689 E C 1.149 177.762 176.600 0.022 0.000 0.977 689 E CA 0.869 57.281 56.400 0.019 0.000 0.832 689 E CB -1.058 28.652 29.700 0.017 0.000 0.790 689 E HN 0.651 nan 8.360 nan 0.000 0.466 690 S N 1.028 116.743 115.700 0.025 0.000 2.592 690 S HA 0.292 4.768 4.470 0.011 0.000 0.256 690 S C 0.444 175.063 174.600 0.033 0.000 1.369 690 S CA -0.209 58.008 58.200 0.028 0.000 0.984 690 S CB 0.605 63.823 63.200 0.030 0.000 0.919 690 S HN 0.330 nan 8.310 nan 0.000 0.576 691 A N 0.131 122.973 122.820 0.037 0.000 2.296 691 A HA 0.787 5.113 4.320 0.011 0.000 0.264 691 A C 0.872 178.488 177.584 0.054 0.000 1.097 691 A CA 0.047 52.108 52.037 0.040 0.000 0.811 691 A CB -0.413 18.611 19.000 0.041 0.000 1.072 691 A HN 2.320 nan 8.150 nan 0.000 0.495 692 G N -1.085 107.749 108.800 0.056 0.000 2.353 692 G HA2 0.432 4.398 3.960 0.011 0.000 0.424 692 G HA3 0.432 4.398 3.960 0.011 0.000 0.424 692 G C -1.145 173.795 174.900 0.067 0.000 1.320 692 G CA -0.187 44.961 45.100 0.080 0.000 0.995 692 G HN 1.128 nan 8.290 nan 0.000 0.580 693 Q N -0.289 119.571 119.800 0.101 0.000 2.290 693 Q HA 0.726 5.072 4.340 0.011 0.000 0.259 693 Q C -0.248 175.816 176.000 0.105 0.000 0.941 693 Q CA -0.565 55.257 55.803 0.032 0.000 0.912 693 Q CB 1.262 29.989 28.738 -0.017 0.000 1.244 693 Q HN 0.581 nan 8.270 nan 0.000 0.441 694 L N 4.376 125.596 121.223 -0.006 0.000 2.305 694 L HA 0.425 4.771 4.340 0.011 0.000 0.281 694 L C -0.826 176.044 176.870 0.000 0.000 1.085 694 L CA -0.317 54.565 54.840 0.071 0.000 0.813 694 L CB 0.641 42.720 42.059 0.034 0.000 1.157 694 L HN 0.685 nan 8.230 nan 0.000 0.436 695 W N 4.469 125.822 121.300 0.089 0.000 2.656 695 W HA 0.476 5.142 4.660 0.010 0.000 0.327 695 W C -0.749 175.871 176.519 0.168 0.000 1.041 695 W CA -0.539 56.881 57.345 0.125 0.000 1.229 695 W CB 1.673 31.222 29.460 0.149 0.000 1.397 695 W HN 0.126 nan 8.180 nan 0.000 0.479 696 L N 3.671 125.158 121.223 0.441 0.000 2.282 696 L HA 0.728 5.074 4.340 0.011 0.000 0.288 696 L C -0.328 176.834 176.870 0.487 0.000 1.033 696 L CA 0.227 55.321 54.840 0.424 0.000 0.807 696 L CB 1.147 43.426 42.059 0.366 0.000 1.209 696 L HN 0.309 nan 8.230 nan 0.000 0.423 697 T N 5.385 120.174 114.554 0.392 0.000 2.840 697 T HA 0.612 4.969 4.350 0.011 0.000 0.287 697 T C -0.727 174.153 174.700 0.299 0.000 0.991 697 T CA -0.429 61.861 62.100 0.316 0.000 0.964 697 T CB 1.339 70.334 68.868 0.212 0.000 0.954 697 T HN 0.587 nan 8.240 nan 0.000 0.438 698 V N 2.096 122.166 119.914 0.260 0.000 2.715 698 V HA 0.936 5.062 4.120 0.011 0.000 0.310 698 V C -0.617 175.553 176.094 0.127 0.000 1.054 698 V CA -1.293 61.124 62.300 0.194 0.000 0.928 698 V CB 1.789 33.671 31.823 0.098 0.000 1.007 698 V HN 0.992 nan 8.190 nan 0.000 0.437 699 R N 2.111 122.714 120.500 0.172 0.000 2.651 699 R HA 0.828 5.174 4.340 0.011 0.000 0.278 699 R C -2.018 174.388 176.300 0.178 0.000 1.010 699 R CA -0.841 55.392 56.100 0.222 0.000 0.896 699 R CB 2.107 32.543 30.300 0.227 0.000 1.211 699 R HN 0.512 nan 8.270 nan 0.000 0.456 700 V N 2.875 122.921 119.914 0.220 0.000 2.407 700 V HA 0.356 4.482 4.120 0.011 0.000 0.278 700 V C -0.202 175.946 176.094 0.091 0.000 1.037 700 V CA -0.578 61.801 62.300 0.133 0.000 0.900 700 V CB 1.461 33.389 31.823 0.175 0.000 0.983 700 V HN 0.545 nan 8.190 nan 0.000 0.459 701 V N 5.082 124.978 119.914 -0.031 0.000 2.555 701 V HA 0.396 4.522 4.120 0.011 0.000 0.302 701 V C -0.215 175.875 176.094 -0.006 0.000 1.038 701 V CA -0.768 61.509 62.300 -0.039 0.000 0.887 701 V CB 1.935 33.654 31.823 -0.174 0.000 0.991 701 V HN 0.888 nan 8.190 nan 0.000 0.434 702 Q N 5.049 124.886 119.800 0.063 0.000 2.421 702 Q HA 0.247 4.593 4.340 0.011 0.000 0.242 702 Q C -1.840 174.175 176.000 0.025 0.000 1.024 702 Q CA -1.705 54.138 55.803 0.068 0.000 0.891 702 Q CB 1.694 30.504 28.738 0.120 0.000 1.222 702 Q HN 0.483 nan 8.270 nan 0.000 0.483 703 P HA -0.171 nan 4.420 nan 0.000 0.215 703 P C -0.297 177.000 177.300 -0.004 0.000 1.153 703 P CA 1.244 64.346 63.100 0.002 0.000 0.853 703 P CB 0.384 32.085 31.700 0.002 0.000 0.788 704 N N -0.503 118.187 118.700 -0.017 0.000 2.443 704 N HA 0.383 5.130 4.740 0.011 0.000 0.295 704 N C -0.160 175.302 175.510 -0.081 0.000 1.076 704 N CA -0.478 52.549 53.050 -0.037 0.000 0.919 704 N CB 1.168 39.636 38.487 -0.031 0.000 1.176 704 N HN -0.074 nan 8.380 nan 0.000 0.487 705 A N 0.792 123.557 122.820 -0.091 0.000 2.406 705 A HA 0.484 4.810 4.320 0.011 0.000 0.243 705 A C 0.796 178.257 177.584 -0.204 0.000 1.082 705 A CA 0.005 51.952 52.037 -0.150 0.000 0.786 705 A CB 0.037 18.975 19.000 -0.103 0.000 1.029 705 A HN 0.760 nan 8.150 nan 0.000 0.495 706 T N -3.216 111.134 114.554 -0.341 0.000 2.742 706 T HA 0.629 4.985 4.350 0.011 0.000 0.282 706 T C 0.930 175.469 174.700 -0.267 0.000 1.025 706 T CA 0.068 61.948 62.100 -0.366 0.000 1.020 706 T CB 1.072 69.493 68.868 -0.745 0.000 1.317 706 T HN 1.350 nan 8.240 nan 0.000 0.538 707 A N -0.149 122.600 122.820 -0.118 0.000 2.066 707 A HA 0.131 4.458 4.320 0.011 0.000 0.218 707 A C 1.656 179.388 177.584 0.246 0.000 1.157 707 A CA 0.982 53.065 52.037 0.076 0.000 0.670 707 A CB -0.850 18.206 19.000 0.094 0.000 0.804 707 A HN 0.908 nan 8.150 nan 0.000 0.453 708 W N -0.669 120.704 121.300 0.122 0.000 2.870 708 W HA 0.416 5.083 4.660 0.011 0.000 0.358 708 W C -0.180 176.313 176.519 -0.045 0.000 1.043 708 W CA 0.510 57.894 57.345 0.065 0.000 1.692 708 W CB -0.990 28.499 29.460 0.047 0.000 1.100 708 W HN 0.425 nan 8.180 nan 0.000 0.557 709 S N 0.178 115.481 115.700 -0.663 0.000 2.550 709 S HA 0.450 4.926 4.470 0.011 0.000 0.270 709 S C -1.028 173.344 174.600 -0.381 0.000 1.145 709 S CA -0.758 57.072 58.200 -0.617 0.000 0.852 709 S CB 2.564 65.015 63.200 -1.248 0.000 1.119 709 S HN 0.121 nan 8.310 nan 0.000 0.465 710 E N 0.859 120.947 120.200 -0.187 0.000 2.314 710 E HA 0.622 4.978 4.350 0.011 0.000 0.262 710 E C 0.282 176.852 176.600 -0.050 0.000 1.093 710 E CA -0.946 55.403 56.400 -0.086 0.000 0.908 710 E CB 0.966 30.658 29.700 -0.014 0.000 1.091 710 E HN 0.896 nan 8.360 nan 0.000 0.425 711 A N 0.788 123.589 122.820 -0.032 0.000 2.520 711 A HA 0.368 4.695 4.320 0.011 0.000 0.235 711 A C 1.240 178.845 177.584 0.035 0.000 1.065 711 A CA 0.717 52.750 52.037 -0.007 0.000 0.764 711 A CB -0.626 18.371 19.000 -0.005 0.000 1.002 711 A HN 0.858 nan 8.150 nan 0.000 0.502 712 G N 0.182 109.011 108.800 0.048 0.000 2.176 712 G HA2 -0.263 3.703 3.960 0.011 0.000 0.253 712 G HA3 -0.263 3.703 3.960 0.011 0.000 0.253 712 G C 0.277 175.233 174.900 0.093 0.000 0.979 712 G CA 0.801 45.940 45.100 0.065 0.000 0.641 712 G HN 1.825 nan 8.290 nan 0.000 0.530 713 H N 0.860 119.943 119.070 0.023 0.000 3.070 713 H HA 0.414 4.976 4.556 0.011 0.000 0.313 713 H C 0.789 176.194 175.328 0.129 0.000 0.997 713 H CA 0.296 56.383 56.048 0.066 0.000 1.438 713 H CB 0.106 29.879 29.762 0.018 0.000 1.455 713 H HN 0.321 nan 8.280 nan 0.000 0.575 714 I N 4.899 125.235 120.570 -0.390 0.000 2.325 714 I HA 0.023 4.199 4.170 0.011 0.000 0.291 714 I C 1.000 176.972 176.117 -0.242 0.000 1.019 714 I CA 0.083 61.283 61.300 -0.167 0.000 1.302 714 I CB 1.423 39.417 38.000 -0.010 0.000 1.401 714 I HN 0.786 nan 8.210 nan 0.000 0.485 715 S N 4.265 120.027 115.700 0.104 0.000 2.497 715 S HA 0.519 4.996 4.470 0.011 0.000 0.218 715 S C 0.502 175.341 174.600 0.398 0.000 1.023 715 S CA 0.009 58.406 58.200 0.327 0.000 0.913 715 S CB 0.559 64.064 63.200 0.507 0.000 0.800 715 S HN 0.712 nan 8.310 nan 0.000 0.505 716 A N 0.410 123.495 122.820 0.442 0.000 2.601 716 A HA 0.689 5.016 4.320 0.011 0.000 0.291 716 A C -1.922 175.994 177.584 0.554 0.000 1.075 716 A CA -0.813 51.464 52.037 0.400 0.000 0.671 716 A CB 0.449 19.734 19.000 0.475 0.000 1.277 716 A HN 0.974 nan 8.150 nan 0.000 0.417 717 W N -0.449 121.037 121.300 0.309 0.000 3.059 717 W HA 0.774 5.441 4.660 0.012 0.000 0.329 717 W C -1.365 175.222 176.519 0.114 0.000 1.246 717 W CA -0.494 56.925 57.345 0.123 0.000 1.190 717 W CB 1.067 30.570 29.460 0.072 0.000 1.423 717 W HN 1.022 nan 8.180 nan 0.000 0.571 718 Q N 1.150 121.007 119.800 0.096 0.000 2.527 718 Q HA 0.459 4.806 4.340 0.011 0.000 0.280 718 Q C -1.584 174.288 176.000 -0.213 0.000 0.977 718 Q CA -0.465 55.246 55.803 -0.154 0.000 0.837 718 Q CB 2.464 30.927 28.738 -0.458 0.000 1.454 718 Q HN 0.614 nan 8.270 nan 0.000 0.387 719 Q N 1.273 120.884 119.800 -0.315 0.000 2.413 719 Q HA 0.643 4.990 4.340 0.011 0.000 0.276 719 Q C -1.191 174.675 176.000 -0.224 0.000 1.099 719 Q CA -0.712 55.081 55.803 -0.016 0.000 0.814 719 Q CB 2.418 31.337 28.738 0.301 0.000 1.379 719 Q HN 0.584 nan 8.270 nan 0.000 0.436 720 W N 0.999 122.453 121.300 0.258 0.000 3.256 720 W HA 0.410 5.076 4.660 0.010 0.000 0.324 720 W C -0.521 175.899 176.519 -0.165 0.000 1.196 720 W CA -0.618 56.765 57.345 0.063 0.000 1.206 720 W CB 1.755 31.232 29.460 0.028 0.000 1.385 720 W HN 0.431 nan 8.180 nan 0.000 0.522 721 R N 2.233 122.584 120.500 -0.248 0.000 2.298 721 R HA 0.451 4.797 4.340 0.011 0.000 0.310 721 R C 0.459 176.588 176.300 -0.285 0.000 1.068 721 R CA -0.195 55.478 56.100 -0.710 0.000 0.957 721 R CB 1.140 30.967 30.300 -0.787 0.000 1.003 721 R HN 0.301 nan 8.270 nan 0.000 0.454 722 L N 1.440 122.513 121.223 -0.250 0.000 2.926 722 L HA 0.492 4.838 4.340 0.011 0.000 0.183 722 L C 0.656 177.444 176.870 -0.137 0.000 1.766 722 L CA -0.993 53.773 54.840 -0.123 0.000 2.062 722 L CB 0.006 42.035 42.059 -0.050 0.000 2.755 722 L HN 0.590 nan 8.230 nan 0.000 0.584 723 A N 0.556 123.326 122.820 -0.084 0.000 2.498 723 A HA 0.152 4.479 4.320 0.011 0.000 0.239 723 A C -0.223 177.316 177.584 -0.074 0.000 1.068 723 A CA 0.282 52.278 52.037 -0.069 0.000 0.766 723 A CB -0.053 18.924 19.000 -0.039 0.000 1.003 723 A HN 0.623 nan 8.150 nan 0.000 0.497 724 E N 1.663 121.822 120.200 -0.068 0.000 2.238 724 E HA 0.370 4.727 4.350 0.011 0.000 0.267 724 E C -1.400 175.186 176.600 -0.023 0.000 0.887 724 E CA -0.783 55.585 56.400 -0.054 0.000 0.769 724 E CB 0.975 30.629 29.700 -0.077 0.000 1.187 724 E HN 0.676 nan 8.360 nan 0.000 0.416 725 N N 4.787 123.485 118.700 -0.004 0.000 2.569 725 N HA 0.266 5.012 4.740 0.011 0.000 0.254 725 N C -0.684 174.836 175.510 0.017 0.000 1.004 725 N CA -0.381 52.673 53.050 0.007 0.000 0.904 725 N CB 1.242 39.736 38.487 0.012 0.000 1.165 725 N HN 0.487 nan 8.380 nan 0.000 0.513 726 L N 0.817 122.049 121.223 0.015 0.000 2.453 726 L HA 0.086 4.432 4.340 0.011 0.000 0.272 726 L C 1.325 178.212 176.870 0.029 0.000 1.182 726 L CA 0.170 55.025 54.840 0.025 0.000 0.858 726 L CB 0.421 42.493 42.059 0.022 0.000 1.120 726 L HN 0.366 nan 8.230 nan 0.000 0.474 727 S N 1.847 117.570 115.700 0.037 0.000 2.481 727 S HA 0.221 4.697 4.470 0.011 0.000 0.276 727 S C 0.688 175.308 174.600 0.034 0.000 1.247 727 S CA -0.762 57.460 58.200 0.037 0.000 1.053 727 S CB 0.788 64.016 63.200 0.046 0.000 0.925 727 S HN 0.472 nan 8.310 nan 0.000 0.491 728 V N 2.374 122.305 119.914 0.028 0.000 3.605 728 V HA 0.295 4.422 4.120 0.011 0.000 0.284 728 V C 0.836 176.944 176.094 0.024 0.000 1.386 728 V CA 0.252 62.567 62.300 0.025 0.000 1.053 728 V CB -0.876 30.959 31.823 0.020 0.000 0.857 728 V HN 0.871 nan 8.190 nan 0.000 0.436 729 T N 1.403 115.972 114.554 0.026 0.000 2.888 729 T HA 0.546 4.903 4.350 0.011 0.000 0.301 729 T C -0.350 174.366 174.700 0.026 0.000 1.001 729 T CA -0.186 61.928 62.100 0.024 0.000 1.147 729 T CB 0.936 69.819 68.868 0.025 0.000 0.931 729 T HN 0.177 nan 8.240 nan 0.000 0.541 730 L N 5.200 126.435 121.223 0.021 0.000 2.350 730 L HA 0.446 4.792 4.340 0.011 0.000 0.275 730 L C -1.261 175.621 176.870 0.020 0.000 1.099 730 L CA -1.727 53.125 54.840 0.020 0.000 0.808 730 L CB -0.153 41.914 42.059 0.013 0.000 1.149 730 L HN 0.651 nan 8.230 nan 0.000 0.442 731 P HA 0.244 nan 4.420 nan 0.000 0.271 731 P C -0.836 176.472 177.300 0.012 0.000 1.216 731 P CA -0.580 62.535 63.100 0.025 0.000 0.776 731 P CB 0.902 32.621 31.700 0.032 0.000 0.881 732 A N 2.884 125.713 122.820 0.015 0.000 2.546 732 A HA 0.377 4.703 4.320 0.011 0.000 0.243 732 A C 0.923 178.481 177.584 -0.043 0.000 1.063 732 A CA 0.079 52.113 52.037 -0.005 0.000 0.757 732 A CB -0.608 18.406 19.000 0.022 0.000 0.991 732 A HN 0.774 nan 8.150 nan 0.000 0.503 733 A N 3.580 126.349 122.820 -0.085 0.000 2.565 733 A HA 0.437 4.763 4.320 0.011 0.000 0.237 733 A C 1.087 178.530 177.584 -0.236 0.000 1.053 733 A CA 0.462 52.424 52.037 -0.124 0.000 0.755 733 A CB -0.428 18.498 19.000 -0.123 0.000 0.980 733 A HN 1.984 nan 8.150 nan 0.000 0.506 734 S N 1.676 117.290 115.700 -0.143 0.000 2.576 734 S HA 0.254 4.730 4.470 0.011 0.000 0.276 734 S C 0.359 174.843 174.600 -0.192 0.000 1.339 734 S CA 0.143 58.282 58.200 -0.102 0.000 1.039 734 S CB 0.249 63.456 63.200 0.010 0.000 0.902 734 S HN 0.707 nan 8.310 nan 0.000 0.516 735 H N 0.697 119.775 119.070 0.014 0.000 2.592 735 H HA 0.578 5.140 4.556 0.011 0.000 0.265 735 H C 0.753 176.088 175.328 0.011 0.000 0.955 735 H CA 0.624 56.679 56.048 0.012 0.000 1.175 735 H CB 0.002 29.770 29.762 0.010 0.000 1.433 735 H HN 0.821 nan 8.280 nan 0.000 0.537 736 A N 0.720 123.617 122.820 0.129 0.000 2.387 736 A HA 0.726 5.052 4.320 0.011 0.000 0.303 736 A C -1.004 176.603 177.584 0.039 0.000 1.145 736 A CA -0.711 51.366 52.037 0.065 0.000 0.801 736 A CB 1.359 20.384 19.000 0.041 0.000 1.342 736 A HN 0.165 nan 8.150 nan 0.000 0.440 737 I N 0.827 121.409 120.570 0.020 0.000 2.499 737 I HA 0.340 4.517 4.170 0.011 0.000 0.288 737 I C -2.608 173.514 176.117 0.008 0.000 1.048 737 I CA -2.071 59.252 61.300 0.038 0.000 1.062 737 I CB 2.464 40.518 38.000 0.090 0.000 1.238 737 I HN 0.354 nan 8.210 nan 0.000 0.426 738 P HA 0.129 nan 4.420 nan 0.000 0.268 738 P C -1.092 176.307 177.300 0.164 0.000 1.205 738 P CA 0.214 63.333 63.100 0.032 0.000 0.771 738 P CB 0.261 31.960 31.700 -0.001 0.000 0.858 739 H N 1.086 120.192 119.070 0.061 0.000 2.458 739 H HA 0.447 5.009 4.556 0.011 0.000 0.330 739 H C -0.430 174.932 175.328 0.057 0.000 1.111 739 H CA -1.088 54.987 56.048 0.045 0.000 1.245 739 H CB 1.362 31.151 29.762 0.044 0.000 1.456 739 H HN 0.285 nan 8.280 nan 0.000 0.488 740 L N 2.483 123.795 121.223 0.148 0.000 2.307 740 L HA 0.369 4.716 4.340 0.011 0.000 0.284 740 L C -0.581 176.350 176.870 0.103 0.000 1.023 740 L CA -0.030 54.873 54.840 0.105 0.000 0.810 740 L CB 1.713 43.788 42.059 0.026 0.000 1.231 740 L HN 0.545 nan 8.230 nan 0.000 0.423 741 T N 3.308 117.945 114.554 0.138 0.000 2.812 741 T HA 0.596 4.952 4.350 0.011 0.000 0.282 741 T C -0.586 174.218 174.700 0.173 0.000 0.990 741 T CA -0.387 61.785 62.100 0.120 0.000 0.960 741 T CB 1.340 70.264 68.868 0.093 0.000 0.948 741 T HN 0.699 nan 8.240 nan 0.000 0.438 742 T N 2.598 117.244 114.554 0.152 0.000 2.885 742 T HA 0.793 5.149 4.350 0.011 0.000 0.285 742 T C -0.267 174.470 174.700 0.062 0.000 1.019 742 T CA -0.799 61.406 62.100 0.176 0.000 1.010 742 T CB 1.504 70.520 68.868 0.248 0.000 1.022 742 T HN 0.717 nan 8.240 nan 0.000 0.466 743 S N 0.490 116.184 115.700 -0.011 0.000 2.638 743 S HA 0.440 4.916 4.470 0.011 0.000 0.274 743 S C 0.797 175.333 174.600 -0.106 0.000 1.157 743 S CA -0.887 57.290 58.200 -0.038 0.000 0.826 743 S CB 1.790 64.974 63.200 -0.026 0.000 1.139 743 S HN 0.752 nan 8.310 nan 0.000 0.474 744 E N -0.233 119.918 120.200 -0.081 0.000 2.118 744 E HA -0.125 4.231 4.350 0.011 0.000 0.195 744 E C 1.068 177.581 176.600 -0.145 0.000 0.992 744 E CA 1.277 57.616 56.400 -0.102 0.000 0.804 744 E CB -0.110 29.555 29.700 -0.059 0.000 0.741 744 E HN 0.617 nan 8.360 nan 0.000 0.458 745 M N 0.563 120.093 119.600 -0.117 0.000 2.465 745 M HA 0.167 4.654 4.480 0.011 0.000 0.249 745 M C -0.301 175.916 176.300 -0.137 0.000 1.130 745 M CA 0.567 55.802 55.300 -0.107 0.000 1.067 745 M CB 0.319 32.891 32.600 -0.046 0.000 1.394 745 M HN -0.068 nan 8.290 nan 0.000 0.483 746 D N -1.007 119.284 120.400 -0.181 0.000 2.609 746 D HA 0.392 5.038 4.640 0.011 0.000 0.239 746 D C -1.490 174.707 176.300 -0.172 0.000 1.229 746 D CA -0.339 53.579 54.000 -0.136 0.000 0.808 746 D CB 2.267 43.083 40.800 0.027 0.000 1.448 746 D HN -0.180 nan 8.370 nan 0.000 0.433 747 F N 1.005 121.041 119.950 0.144 0.000 2.427 747 F HA 0.341 4.875 4.527 0.011 0.000 0.348 747 F C -0.089 175.845 175.800 0.224 0.000 1.125 747 F CA -0.895 57.186 58.000 0.134 0.000 0.989 747 F CB 1.180 40.226 39.000 0.078 0.000 1.165 747 F HN 0.158 nan 8.300 nan 0.000 0.442 748 C N 5.240 124.759 119.300 0.366 0.000 2.345 748 C HA 0.759 5.226 4.460 0.011 0.000 0.323 748 C C -0.141 175.025 174.990 0.293 0.000 1.276 748 C CA -0.831 58.376 59.018 0.314 0.000 1.543 748 C CB 0.258 28.111 27.740 0.189 0.000 2.211 748 C HN 0.505 nan 8.230 nan 0.000 0.493 749 I N 2.638 123.436 120.570 0.380 0.000 2.474 749 I HA 0.544 4.720 4.170 0.011 0.000 0.294 749 I C -0.054 176.339 176.117 0.459 0.000 1.005 749 I CA -0.184 61.332 61.300 0.360 0.000 1.113 749 I CB 1.360 39.541 38.000 0.302 0.000 1.289 749 I HN 0.679 nan 8.210 nan 0.000 0.436 750 E N 5.497 125.891 120.200 0.325 0.000 2.272 750 E HA 0.742 5.099 4.350 0.011 0.000 0.269 750 E C -1.945 174.783 176.600 0.213 0.000 0.877 750 E CA -0.812 55.742 56.400 0.257 0.000 0.755 750 E CB 2.121 31.883 29.700 0.104 0.000 1.192 750 E HN 0.505 nan 8.360 nan 0.000 0.422 751 L N 5.008 126.377 121.223 0.243 0.000 2.596 751 L HA 0.558 4.904 4.340 0.011 0.000 0.265 751 L C 0.203 177.126 176.870 0.088 0.000 0.962 751 L CA 0.843 55.778 54.840 0.158 0.000 0.891 751 L CB 1.269 43.506 42.059 0.296 0.000 1.248 751 L HN 0.811 nan 8.230 nan 0.000 0.410 752 G N 4.561 113.366 108.800 0.009 0.000 2.622 752 G HA2 -0.425 3.542 3.960 0.011 0.000 0.307 752 G HA3 -0.425 3.542 3.960 0.011 0.000 0.307 752 G C 0.530 175.416 174.900 -0.024 0.000 1.226 752 G CA 0.622 45.718 45.100 -0.007 0.000 0.997 752 G HN 1.274 nan 8.290 nan 0.000 0.551 753 N N 1.561 120.243 118.700 -0.031 0.000 2.313 753 N HA 0.123 4.870 4.740 0.011 0.000 0.207 753 N C 0.277 175.732 175.510 -0.092 0.000 1.141 753 N CA 0.671 53.688 53.050 -0.055 0.000 0.830 753 N CB 0.246 38.704 38.487 -0.048 0.000 1.008 753 N HN 0.736 nan 8.380 nan 0.000 0.481 754 K N 0.430 120.760 120.400 -0.117 0.000 2.203 754 K HA 0.529 4.855 4.320 0.011 0.000 0.251 754 K C -0.425 175.949 176.600 -0.378 0.000 0.944 754 K CA -0.609 55.482 56.287 -0.327 0.000 0.829 754 K CB 2.191 34.428 32.500 -0.438 0.000 1.125 754 K HN -0.017 nan 8.250 nan 0.000 0.430 755 R N 1.241 121.415 120.500 -0.544 0.000 2.651 755 R HA 0.431 4.777 4.340 0.011 0.000 0.278 755 R C -1.270 174.881 176.300 -0.248 0.000 1.010 755 R CA -0.853 55.134 56.100 -0.188 0.000 0.896 755 R CB 1.867 32.137 30.300 -0.049 0.000 1.211 755 R HN 0.552 nan 8.270 nan 0.000 0.456 756 W N 1.690 123.122 121.300 0.220 0.000 2.936 756 W HA 0.388 5.054 4.660 0.011 0.000 0.338 756 W C -0.583 176.057 176.519 0.203 0.000 1.121 756 W CA -0.564 56.861 57.345 0.133 0.000 1.209 756 W CB 2.383 31.911 29.460 0.114 0.000 1.420 756 W HN 0.412 nan 8.180 nan 0.000 0.516 757 Q N 2.256 122.205 119.800 0.248 0.000 2.275 757 Q HA 0.413 4.760 4.340 0.011 0.000 0.266 757 Q C -2.028 173.959 176.000 -0.022 0.000 1.002 757 Q CA -0.424 55.524 55.803 0.242 0.000 0.761 757 Q CB 1.456 30.401 28.738 0.344 0.000 1.255 757 Q HN 0.325 nan 8.270 nan 0.000 0.446 758 F N 2.555 122.603 119.950 0.164 0.000 2.427 758 F HA 0.350 4.884 4.527 0.011 0.000 0.346 758 F C 0.561 176.408 175.800 0.078 0.000 1.120 758 F CA -0.864 57.200 58.000 0.107 0.000 1.033 758 F CB 1.318 40.386 39.000 0.112 0.000 1.126 758 F HN 0.492 nan 8.300 nan 0.000 0.462 759 N N 3.477 122.290 118.700 0.187 0.000 2.442 759 N HA 0.098 4.844 4.740 0.011 0.000 0.265 759 N C 0.881 176.423 175.510 0.054 0.000 1.138 759 N CA 0.049 53.158 53.050 0.099 0.000 0.956 759 N CB 0.721 39.271 38.487 0.105 0.000 1.067 759 N HN 0.668 nan 8.380 nan 0.000 0.474 760 R N 2.147 122.609 120.500 -0.064 0.000 2.276 760 R HA -0.060 4.286 4.340 0.011 0.000 0.203 760 R C 1.564 177.816 176.300 -0.080 0.000 1.017 760 R CA 0.617 56.635 56.100 -0.137 0.000 1.010 760 R CB 0.232 30.327 30.300 -0.342 0.000 0.900 760 R HN 0.687 nan 8.270 nan 0.000 0.469 761 Q N 0.358 120.134 119.800 -0.040 0.000 2.165 761 Q HA -0.071 4.275 4.340 0.011 0.000 0.197 761 Q C 1.795 177.791 176.000 -0.006 0.000 0.952 761 Q CA 1.563 57.352 55.803 -0.023 0.000 0.848 761 Q CB 0.306 29.043 28.738 -0.002 0.000 0.931 761 Q HN 0.303 nan 8.270 nan 0.000 0.470 762 S N -1.811 113.908 115.700 0.031 0.000 2.456 762 S HA 0.204 4.681 4.470 0.011 0.000 0.224 762 S C 1.369 175.907 174.600 -0.104 0.000 1.035 762 S CA 0.637 58.871 58.200 0.056 0.000 0.940 762 S CB 0.552 63.891 63.200 0.232 0.000 0.799 762 S HN 0.597 nan 8.310 nan 0.000 0.508 763 G N 0.581 109.342 108.800 -0.065 0.000 2.136 763 G HA2 -0.182 3.785 3.960 0.011 0.000 0.242 763 G HA3 -0.182 3.785 3.960 0.011 0.000 0.242 763 G C -0.240 174.616 174.900 -0.074 0.000 0.989 763 G CA 0.198 45.251 45.100 -0.079 0.000 0.682 763 G HN 0.456 nan 8.290 nan 0.000 0.522 764 F N -1.213 118.907 119.950 0.283 0.000 2.579 764 F HA 0.716 5.249 4.527 0.011 0.000 0.324 764 F C 0.344 176.159 175.800 0.025 0.000 1.058 764 F CA -1.833 56.285 58.000 0.196 0.000 0.944 764 F CB 1.402 40.475 39.000 0.122 0.000 1.245 764 F HN 0.024 nan 8.300 nan 0.000 0.477 765 L N 1.944 123.203 121.223 0.060 0.000 2.456 765 L HA 0.223 4.569 4.340 0.011 0.000 0.277 765 L C 0.936 177.700 176.870 -0.176 0.000 1.124 765 L CA 0.508 55.068 54.840 -0.466 0.000 0.880 765 L CB 0.236 41.979 42.059 -0.528 0.000 1.192 765 L HN 0.698 nan 8.230 nan 0.000 0.463 766 S N 2.528 118.131 115.700 -0.162 0.000 2.503 766 S HA 0.288 4.764 4.470 0.011 0.000 0.215 766 S C 0.526 175.009 174.600 -0.196 0.000 1.003 766 S CA -0.125 58.019 58.200 -0.094 0.000 0.910 766 S CB 0.121 63.317 63.200 -0.007 0.000 0.790 766 S HN 0.679 nan 8.310 nan 0.000 0.514 767 Q N -0.300 119.323 119.800 -0.295 0.000 2.594 767 Q HA 0.637 4.983 4.340 0.011 0.000 0.278 767 Q C -2.058 173.587 176.000 -0.592 0.000 0.961 767 Q CA -0.226 55.266 55.803 -0.518 0.000 0.844 767 Q CB 1.477 29.813 28.738 -0.670 0.000 1.475 767 Q HN 0.411 nan 8.270 nan 0.000 0.389 768 M N 1.364 120.484 119.600 -0.801 0.000 2.531 768 M HA 0.592 5.079 4.480 0.011 0.000 0.286 768 M C -1.474 174.403 176.300 -0.705 0.000 1.232 768 M CA -0.478 54.441 55.300 -0.635 0.000 0.877 768 M CB 2.371 34.595 32.600 -0.626 0.000 1.726 768 M HN 0.494 nan 8.290 nan 0.000 0.463 769 W N 3.132 124.183 121.300 -0.415 0.000 2.739 769 W HA 0.599 5.265 4.660 0.011 0.000 0.331 769 W C -1.416 174.898 176.519 -0.342 0.000 1.049 769 W CA -0.576 56.590 57.345 -0.299 0.000 1.234 769 W CB 1.611 30.933 29.460 -0.230 0.000 1.404 769 W HN 0.474 nan 8.180 nan 0.000 0.477 770 I N 3.251 123.790 120.570 -0.051 0.000 2.382 770 I HA 0.412 4.588 4.170 0.011 0.000 0.286 770 I C 0.903 176.994 176.117 -0.044 0.000 1.002 770 I CA 0.328 61.567 61.300 -0.101 0.000 1.135 770 I CB 1.195 39.118 38.000 -0.128 0.000 1.288 770 I HN 0.750 nan 8.210 nan 0.000 0.448 771 G N 5.911 114.682 108.800 -0.048 0.000 2.595 771 G HA2 -0.269 3.698 3.960 0.011 0.000 0.297 771 G HA3 -0.269 3.698 3.960 0.011 0.000 0.297 771 G C 0.321 175.219 174.900 -0.004 0.000 1.181 771 G CA 0.454 45.535 45.100 -0.033 0.000 0.963 771 G HN 0.591 nan 8.290 nan 0.000 0.541 772 D N 0.622 121.038 120.400 0.027 0.000 2.539 772 D HA 0.249 4.895 4.640 0.011 0.000 0.232 772 D C 0.515 176.924 176.300 0.183 0.000 1.256 772 D CA 0.076 54.117 54.000 0.067 0.000 0.810 772 D CB 1.013 41.817 40.800 0.007 0.000 1.090 772 D HN 0.374 nan 8.370 nan 0.000 0.519 773 K N 2.539 123.019 120.400 0.132 0.000 2.183 773 K HA 0.218 4.544 4.320 0.011 0.000 0.274 773 K C 0.075 176.666 176.600 -0.015 0.000 1.009 773 K CA -0.698 55.634 56.287 0.075 0.000 0.888 773 K CB 1.008 33.504 32.500 -0.007 0.000 1.078 773 K HN -0.164 nan 8.250 nan 0.000 0.459 774 K N 2.935 123.252 120.400 -0.138 0.000 2.380 774 K HA 0.041 4.368 4.320 0.011 0.000 0.267 774 K C -0.052 176.357 176.600 -0.319 0.000 0.990 774 K CA -0.019 55.973 56.287 -0.491 0.000 0.946 774 K CB 0.646 32.916 32.500 -0.384 0.000 0.937 774 K HN 0.474 nan 8.250 nan 0.000 0.491 775 Q N 0.969 120.541 119.800 -0.380 0.000 2.245 775 Q HA 0.278 4.625 4.340 0.011 0.000 0.250 775 Q C -0.114 175.801 176.000 -0.141 0.000 0.830 775 Q CA 0.297 56.007 55.803 -0.155 0.000 0.950 775 Q CB 0.611 29.309 28.738 -0.066 0.000 1.124 775 Q HN 0.615 nan 8.270 nan 0.000 0.502 776 L N 0.551 121.618 121.223 -0.259 0.000 2.362 776 L HA 0.440 4.787 4.340 0.011 0.000 0.271 776 L C 0.813 177.549 176.870 -0.224 0.000 1.002 776 L CA -0.372 54.335 54.840 -0.221 0.000 0.818 776 L CB 1.848 43.764 42.059 -0.238 0.000 1.298 776 L HN -0.096 nan 8.230 nan 0.000 0.420 777 L N 0.309 121.398 121.223 -0.224 0.000 2.575 777 L HA 0.270 4.616 4.340 0.011 0.000 0.228 777 L C 0.010 176.767 176.870 -0.189 0.000 1.075 777 L CA 0.601 55.320 54.840 -0.202 0.000 0.867 777 L CB 0.851 42.773 42.059 -0.228 0.000 1.097 777 L HN 0.620 nan 8.230 nan 0.000 0.485 778 T N -0.005 114.412 114.554 -0.229 0.000 2.933 778 T HA 0.388 4.744 4.350 0.011 0.000 0.305 778 T C -2.581 172.040 174.700 -0.133 0.000 1.092 778 T CA -1.074 60.930 62.100 -0.161 0.000 1.008 778 T CB 2.596 71.343 68.868 -0.203 0.000 1.102 778 T HN -0.281 nan 8.240 nan 0.000 0.469 779 P HA 0.184 nan 4.420 nan 0.000 0.269 779 P C -0.737 176.514 177.300 -0.082 0.000 1.217 779 P CA -0.727 62.332 63.100 -0.068 0.000 0.783 779 P CB 0.436 32.131 31.700 -0.009 0.000 0.898 780 L N 3.295 124.496 121.223 -0.036 0.000 2.325 780 L HA 0.264 4.611 4.340 0.011 0.000 0.284 780 L C 0.086 176.882 176.870 -0.124 0.000 1.089 780 L CA 0.573 55.422 54.840 0.014 0.000 0.836 780 L CB -0.691 41.474 42.059 0.176 0.000 1.184 780 L HN 0.291 nan 8.230 nan 0.000 0.444 781 R N 2.699 123.039 120.500 -0.266 0.000 2.888 781 R HA 0.492 4.838 4.340 0.011 0.000 0.266 781 R C -0.970 175.161 176.300 -0.281 0.000 1.020 781 R CA -1.032 54.725 56.100 -0.572 0.000 0.963 781 R CB 1.204 31.048 30.300 -0.760 0.000 1.197 781 R HN 0.522 nan 8.270 nan 0.000 0.481 782 D N 1.081 121.356 120.400 -0.209 0.000 2.372 782 D HA 0.077 4.724 4.640 0.011 0.000 0.243 782 D C -0.516 175.365 176.300 -0.699 0.000 1.121 782 D CA 0.288 54.028 54.000 -0.433 0.000 0.898 782 D CB 0.742 41.209 40.800 -0.554 0.000 1.202 782 D HN 0.207 nan 8.370 nan 0.000 0.428 783 Q N 1.263 120.478 119.800 -0.975 0.000 2.285 783 Q HA 0.336 4.682 4.340 0.011 0.000 0.269 783 Q C -1.318 173.986 176.000 -1.161 0.000 1.030 783 Q CA -0.589 54.708 55.803 -0.843 0.000 0.788 783 Q CB 0.772 29.232 28.738 -0.463 0.000 1.266 783 Q HN 0.495 nan 8.270 nan 0.000 0.438 784 F N 0.813 120.386 119.950 -0.629 0.000 2.688 784 F HA 0.215 4.748 4.527 0.011 0.000 0.310 784 F C 0.450 175.821 175.800 -0.715 0.000 1.098 784 F CA -0.107 57.417 58.000 -0.793 0.000 1.228 784 F CB 1.371 39.599 39.000 -1.286 0.000 1.042 784 F HN 0.435 nan 8.300 nan 0.000 0.557 785 T N -0.926 113.335 114.554 -0.490 0.000 2.887 785 T HA 0.810 5.167 4.350 0.011 0.000 0.292 785 T C -0.576 173.896 174.700 -0.379 0.000 1.087 785 T CA -0.992 60.760 62.100 -0.580 0.000 1.009 785 T CB 2.939 71.402 68.868 -0.675 0.000 1.203 785 T HN 0.254 nan 8.240 nan 0.000 0.518 786 R N -0.063 120.262 120.500 -0.292 0.000 2.740 786 R HA 0.773 5.119 4.340 0.011 0.000 0.273 786 R C -0.822 175.530 176.300 0.088 0.000 0.998 786 R CA -1.227 54.819 56.100 -0.091 0.000 0.900 786 R CB 1.519 31.769 30.300 -0.084 0.000 1.223 786 R HN 0.843 nan 8.270 nan 0.000 0.466 787 A N 3.706 126.564 122.820 0.063 0.000 2.515 787 A HA 0.259 4.585 4.320 0.011 0.000 0.263 787 A C -1.880 175.775 177.584 0.120 0.000 1.096 787 A CA -1.243 50.834 52.037 0.066 0.000 0.769 787 A CB -0.442 18.543 19.000 -0.025 0.000 1.040 787 A HN 0.605 nan 8.150 nan 0.000 0.505 788 P HA 0.024 nan 4.420 nan 0.000 0.261 788 P C -0.326 177.092 177.300 0.197 0.000 1.173 788 P CA 0.596 63.858 63.100 0.271 0.000 0.760 788 P CB 0.392 32.270 31.700 0.296 0.000 0.783 789 L N 2.645 123.962 121.223 0.157 0.000 2.454 789 L HA 0.184 4.531 4.340 0.011 0.000 0.256 789 L C 1.777 178.703 176.870 0.093 0.000 1.136 789 L CA -0.635 54.244 54.840 0.065 0.000 0.804 789 L CB -0.079 41.951 42.059 -0.047 0.000 1.181 789 L HN 0.220 nan 8.230 nan 0.000 0.469 790 D N -0.013 120.404 120.400 0.029 0.000 2.149 790 D HA -0.160 4.486 4.640 0.011 0.000 0.198 790 D C 1.616 177.928 176.300 0.019 0.000 0.990 790 D CA 1.368 55.362 54.000 -0.009 0.000 0.839 790 D CB -0.152 40.621 40.800 -0.045 0.000 0.948 790 D HN 0.430 nan 8.370 nan 0.000 0.460 791 N N 0.713 119.415 118.700 0.003 0.000 2.396 791 N HA -0.089 4.657 4.740 0.011 0.000 0.180 791 N C 0.927 176.469 175.510 0.054 0.000 1.028 791 N CA 0.650 53.702 53.050 0.004 0.000 0.893 791 N CB -0.032 38.441 38.487 -0.023 0.000 0.967 791 N HN 0.238 nan 8.380 nan 0.000 0.440 792 D N 0.393 120.843 120.400 0.083 0.000 2.234 792 D HA 0.078 4.724 4.640 0.011 0.000 0.205 792 D C 1.953 178.312 176.300 0.097 0.000 0.962 792 D CA 0.346 54.421 54.000 0.126 0.000 0.855 792 D CB 0.282 41.223 40.800 0.234 0.000 0.951 792 D HN 0.313 nan 8.370 nan 0.000 0.500 793 I N 0.128 120.752 120.570 0.090 0.000 2.494 793 I HA 0.080 4.256 4.170 0.011 0.000 0.250 793 I C 1.781 177.930 176.117 0.053 0.000 1.112 793 I CA 0.578 61.921 61.300 0.071 0.000 1.438 793 I CB -0.271 37.769 38.000 0.067 0.000 1.111 793 I HN 0.043 nan 8.210 nan 0.000 0.431 794 G N 1.481 110.316 108.800 0.059 0.000 2.574 794 G HA2 -0.340 3.627 3.960 0.011 0.000 0.286 794 G HA3 -0.340 3.627 3.960 0.011 0.000 0.286 794 G C 0.630 175.594 174.900 0.107 0.000 1.212 794 G CA 0.724 45.856 45.100 0.054 0.000 0.979 794 G HN 0.538 nan 8.290 nan 0.000 0.557 795 V N -1.908 118.031 119.914 0.042 0.000 3.514 795 V HA 0.631 4.758 4.120 0.011 0.000 0.301 795 V C 1.196 177.332 176.094 0.070 0.000 1.346 795 V CA 1.169 63.489 62.300 0.034 0.000 1.156 795 V CB 0.109 31.860 31.823 -0.121 0.000 1.029 795 V HN 1.366 nan 8.190 nan 0.000 0.428 796 S N 1.366 117.099 115.700 0.055 0.000 2.549 796 S HA 0.331 4.808 4.470 0.011 0.000 0.283 796 S C -0.072 174.558 174.600 0.049 0.000 1.320 796 S CA 0.050 58.269 58.200 0.032 0.000 1.058 796 S CB 0.214 63.422 63.200 0.013 0.000 0.882 796 S HN 0.817 nan 8.310 nan 0.000 0.498 797 E N 1.631 121.852 120.200 0.035 0.000 2.393 797 E HA 0.526 4.882 4.350 0.011 0.000 0.273 797 E C 0.568 177.183 176.600 0.025 0.000 0.918 797 E CA -0.684 55.737 56.400 0.035 0.000 0.773 797 E CB 1.349 31.075 29.700 0.042 0.000 1.275 797 E HN 0.562 nan 8.360 nan 0.000 0.451 798 A N 0.623 123.458 122.820 0.027 0.000 1.986 798 A HA -0.175 4.151 4.320 0.011 0.000 0.220 798 A C 1.779 179.375 177.584 0.020 0.000 1.171 798 A CA 2.313 54.364 52.037 0.023 0.000 0.640 798 A CB -0.547 18.469 19.000 0.027 0.000 0.811 798 A HN 0.566 nan 8.150 nan 0.000 0.451 799 T N -1.003 113.563 114.554 0.020 0.000 2.925 799 T HA 0.083 4.440 4.350 0.011 0.000 0.245 799 T C 1.089 175.793 174.700 0.007 0.000 1.025 799 T CA 0.517 62.626 62.100 0.015 0.000 1.149 799 T CB 0.005 68.883 68.868 0.016 0.000 0.866 799 T HN 0.383 nan 8.240 nan 0.000 0.437 800 R N 1.499 122.004 120.500 0.008 0.000 3.070 800 R HA 0.409 4.755 4.340 0.011 0.000 0.252 800 R C -0.807 175.492 176.300 -0.002 0.000 1.370 800 R CA -0.184 55.915 56.100 -0.002 0.000 1.482 800 R CB -0.168 30.128 30.300 -0.007 0.000 1.220 800 R HN 0.381 nan 8.270 nan 0.000 0.622 801 I N 1.607 122.174 120.570 -0.004 0.000 2.533 801 I HA -0.045 4.131 4.170 0.011 0.000 0.284 801 I C 0.383 176.487 176.117 -0.022 0.000 1.109 801 I CA 0.154 61.449 61.300 -0.007 0.000 1.412 801 I CB 0.551 38.548 38.000 -0.005 0.000 1.396 801 I HN 0.265 nan 8.210 nan 0.000 0.543 802 D N 9.825 130.208 120.400 -0.028 0.000 2.473 802 D HA 0.214 4.860 4.640 0.011 0.000 0.226 802 D C -1.456 174.802 176.300 -0.070 0.000 1.089 802 D CA -2.447 51.524 54.000 -0.048 0.000 0.883 802 D CB 1.266 42.038 40.800 -0.046 0.000 1.029 802 D HN 0.224 nan 8.370 nan 0.000 0.517 803 P HA -0.132 nan 4.420 nan 0.000 0.226 803 P C 0.708 177.916 177.300 -0.154 0.000 1.146 803 P CA 0.602 63.644 63.100 -0.096 0.000 0.773 803 P CB 0.445 32.099 31.700 -0.075 0.000 0.772 804 N N 0.038 118.640 118.700 -0.165 0.000 2.373 804 N HA 0.067 4.814 4.740 0.011 0.000 0.181 804 N C 0.436 175.748 175.510 -0.331 0.000 1.082 804 N CA -0.010 52.896 53.050 -0.240 0.000 0.885 804 N CB -0.330 38.045 38.487 -0.186 0.000 0.977 804 N HN -0.040 nan 8.380 nan 0.000 0.462 805 A N -0.430 122.243 122.820 -0.245 0.000 2.462 805 A HA 0.126 4.453 4.320 0.011 0.000 0.243 805 A C 0.665 178.037 177.584 -0.353 0.000 1.076 805 A CA -0.419 51.474 52.037 -0.240 0.000 0.773 805 A CB -0.158 18.777 19.000 -0.108 0.000 1.010 805 A HN 0.523 nan 8.150 nan 0.000 0.493 806 W N 1.759 122.807 121.300 -0.419 0.000 2.318 806 W HA -0.209 4.457 4.660 0.010 0.000 0.313 806 W C 2.222 178.144 176.519 -0.996 0.000 1.221 806 W CA 1.829 58.658 57.345 -0.860 0.000 1.266 806 W CB -0.355 28.496 29.460 -1.014 0.000 1.150 806 W HN 0.566 nan 8.180 nan 0.000 0.496 807 V N 0.844 120.622 119.914 -0.226 0.000 2.392 807 V HA -0.270 3.856 4.120 0.011 0.000 0.249 807 V C 2.143 178.305 176.094 0.113 0.000 1.059 807 V CA 2.166 64.541 62.300 0.125 0.000 1.051 807 V CB -0.353 31.583 31.823 0.188 0.000 0.658 807 V HN 0.082 nan 8.190 nan 0.000 0.455 808 E N -0.041 120.141 120.200 -0.030 0.000 2.152 808 E HA -0.145 4.211 4.350 0.011 0.000 0.192 808 E C 2.339 178.906 176.600 -0.055 0.000 0.983 808 E CA 0.991 57.377 56.400 -0.024 0.000 0.818 808 E CB -0.290 29.373 29.700 -0.062 0.000 0.758 808 E HN 0.634 nan 8.360 nan 0.000 0.467 809 R N -0.318 120.072 120.500 -0.182 0.000 2.090 809 R HA -0.073 4.273 4.340 0.011 0.000 0.228 809 R C 2.227 178.469 176.300 -0.096 0.000 1.110 809 R CA 0.989 56.964 56.100 -0.209 0.000 0.973 809 R CB -0.119 29.943 30.300 -0.397 0.000 0.869 809 R HN 0.234 nan 8.270 nan 0.000 0.440 810 W N 1.563 122.829 121.300 -0.058 0.000 2.381 810 W HA -0.011 4.655 4.660 0.011 0.000 0.301 810 W C 1.867 178.364 176.519 -0.037 0.000 1.205 810 W CA 0.533 57.740 57.345 -0.229 0.000 1.285 810 W CB -0.555 28.892 29.460 -0.022 0.000 1.133 810 W HN 0.076 nan 8.180 nan 0.000 0.521 811 K N 0.219 120.850 120.400 0.384 0.000 2.026 811 K HA -0.083 4.243 4.320 0.011 0.000 0.208 811 K C 2.295 178.964 176.600 0.115 0.000 1.048 811 K CA 1.744 58.212 56.287 0.303 0.000 0.929 811 K CB -0.532 32.088 32.500 0.200 0.000 0.713 811 K HN -0.035 nan 8.250 nan 0.000 0.439 812 A N 1.179 124.035 122.820 0.060 0.000 1.972 812 A HA -0.078 4.248 4.320 0.011 0.000 0.219 812 A C 2.233 179.817 177.584 -0.001 0.000 1.169 812 A CA 1.762 53.814 52.037 0.026 0.000 0.635 812 A CB -0.533 18.469 19.000 0.004 0.000 0.810 812 A HN 0.339 nan 8.150 nan 0.000 0.446 813 A N -1.947 120.856 122.820 -0.028 0.000 2.167 813 A HA 0.386 4.712 4.320 0.011 0.000 0.214 813 A C 1.852 179.391 177.584 -0.076 0.000 1.151 813 A CA 1.333 53.365 52.037 -0.008 0.000 0.735 813 A CB -0.803 18.181 19.000 -0.026 0.000 0.802 813 A HN 1.886 nan 8.150 nan 0.000 0.467 814 G N -1.785 106.884 108.800 -0.219 0.000 2.141 814 G HA2 -0.284 3.682 3.960 0.011 0.000 0.242 814 G HA3 -0.284 3.682 3.960 0.011 0.000 0.242 814 G C 0.576 175.482 174.900 0.011 0.000 0.982 814 G CA 0.612 45.386 45.100 -0.542 0.000 0.662 814 G HN 0.728 nan 8.290 nan 0.000 0.527 815 H N -1.431 117.631 119.070 -0.013 0.000 2.387 815 H HA -0.122 4.440 4.556 0.011 0.000 0.299 815 H C 2.211 177.514 175.328 -0.042 0.000 1.099 815 H CA 1.710 57.761 56.048 0.006 0.000 1.315 815 H CB 0.081 29.782 29.762 -0.101 0.000 1.380 815 H HN 0.588 nan 8.280 nan 0.000 0.513 816 Y N 0.959 121.391 120.300 0.220 0.000 2.457 816 Y HA -0.113 4.443 4.550 0.011 0.000 0.292 816 Y C 2.272 178.262 175.900 0.150 0.000 1.125 816 Y CA 0.893 59.082 58.100 0.149 0.000 1.254 816 Y CB 0.207 38.739 38.460 0.119 0.000 1.012 816 Y HN 0.384 nan 8.280 nan 0.000 0.555 817 Q N -0.495 119.479 119.800 0.290 0.000 2.217 817 Q HA 0.428 4.774 4.340 0.011 0.000 0.217 817 Q C 0.576 176.768 176.000 0.319 0.000 0.844 817 Q CA 0.015 55.985 55.803 0.277 0.000 0.957 817 Q CB 0.325 29.225 28.738 0.270 0.000 1.127 817 Q HN 0.143 nan 8.270 nan 0.000 0.503 818 A N 1.831 124.853 122.820 0.337 0.000 2.546 818 A HA 0.087 4.414 4.320 0.011 0.000 0.243 818 A C -0.319 177.539 177.584 0.457 0.000 1.063 818 A CA 0.147 52.431 52.037 0.412 0.000 0.757 818 A CB 0.173 19.444 19.000 0.453 0.000 0.991 818 A HN 0.366 nan 8.150 nan 0.000 0.503 819 E N 0.971 121.359 120.200 0.313 0.000 2.191 819 E HA 0.508 4.864 4.350 0.011 0.000 0.274 819 E C -0.213 176.347 176.600 -0.066 0.000 0.948 819 E CA -0.706 55.808 56.400 0.191 0.000 0.802 819 E CB 1.893 31.674 29.700 0.135 0.000 1.137 819 E HN 0.786 nan 8.360 nan 0.000 0.397 820 A N 1.949 124.628 122.820 -0.235 0.000 2.409 820 A HA 0.497 4.824 4.320 0.011 0.000 0.267 820 A C -0.233 177.204 177.584 -0.244 0.000 1.127 820 A CA -0.198 51.440 52.037 -0.665 0.000 0.795 820 A CB 0.284 18.977 19.000 -0.513 0.000 1.061 820 A HN 0.571 nan 8.150 nan 0.000 0.502 821 A N 2.954 125.623 122.820 -0.252 0.000 2.271 821 A HA 0.569 4.895 4.320 0.011 0.000 0.317 821 A C -0.359 177.142 177.584 -0.139 0.000 1.245 821 A CA -0.556 51.410 52.037 -0.119 0.000 0.857 821 A CB 0.380 19.329 19.000 -0.085 0.000 1.175 821 A HN 1.238 nan 8.150 nan 0.000 0.512 822 L N 3.329 124.462 121.223 -0.151 0.000 2.410 822 L HA 0.321 4.667 4.340 0.011 0.000 0.273 822 L C 0.408 177.142 176.870 -0.227 0.000 1.144 822 L CA 0.384 55.030 54.840 -0.323 0.000 0.863 822 L CB 0.267 42.160 42.059 -0.277 0.000 1.140 822 L HN 0.767 nan 8.230 nan 0.000 0.463 823 L N 3.204 124.276 121.223 -0.251 0.000 2.500 823 L HA 0.341 4.687 4.340 0.011 0.000 0.219 823 L C 0.475 177.277 176.870 -0.113 0.000 1.057 823 L CA 0.028 54.789 54.840 -0.131 0.000 0.854 823 L CB 0.043 42.054 42.059 -0.079 0.000 1.078 823 L HN 0.710 nan 8.230 nan 0.000 0.480 824 Q N -0.264 119.444 119.800 -0.154 0.000 2.391 824 Q HA 0.376 4.723 4.340 0.011 0.000 0.279 824 Q C -2.066 173.879 176.000 -0.092 0.000 1.028 824 Q CA -0.495 55.255 55.803 -0.088 0.000 0.836 824 Q CB 3.285 31.997 28.738 -0.043 0.000 1.414 824 Q HN 0.080 nan 8.270 nan 0.000 0.397 825 C N 3.068 122.358 119.300 -0.016 0.000 3.044 825 C HA 0.657 5.123 4.460 0.011 0.000 0.382 825 C C -0.904 174.186 174.990 0.168 0.000 1.071 825 C CA 0.339 59.393 59.018 0.059 0.000 1.296 825 C CB 0.432 28.203 27.740 0.052 0.000 1.730 825 C HN 0.842 nan 8.230 nan 0.000 0.513 826 T N 2.249 116.848 114.554 0.075 0.000 2.916 826 T HA 0.917 5.274 4.350 0.011 0.000 0.292 826 T C -0.458 174.024 174.700 -0.362 0.000 1.064 826 T CA -0.289 61.800 62.100 -0.019 0.000 1.011 826 T CB 1.997 70.838 68.868 -0.045 0.000 1.152 826 T HN 1.681 nan 8.240 nan 0.000 0.510 827 A N 1.384 123.822 122.820 -0.636 0.000 2.393 827 A HA 0.733 5.060 4.320 0.011 0.000 0.306 827 A C -1.243 176.087 177.584 -0.422 0.000 1.050 827 A CA -0.753 50.786 52.037 -0.830 0.000 0.724 827 A CB 1.219 19.208 19.000 -1.685 0.000 1.248 827 A HN 0.864 nan 8.150 nan 0.000 0.424 828 D N 1.354 121.571 120.400 -0.305 0.000 2.780 828 D HA 0.408 5.054 4.640 0.011 0.000 0.242 828 D C -0.982 175.228 176.300 -0.150 0.000 1.135 828 D CA -0.001 53.890 54.000 -0.182 0.000 0.859 828 D CB 2.294 43.016 40.800 -0.131 0.000 1.530 828 D HN 0.383 nan 8.370 nan 0.000 0.493 829 T N 2.548 117.038 114.554 -0.106 0.000 2.733 829 T HA 0.389 4.745 4.350 0.011 0.000 0.294 829 T C 0.694 175.362 174.700 -0.054 0.000 0.956 829 T CA -0.371 61.684 62.100 -0.074 0.000 0.987 829 T CB 0.544 69.381 68.868 -0.052 0.000 0.920 829 T HN 0.090 nan 8.240 nan 0.000 0.470 830 L N 1.695 122.889 121.223 -0.049 0.000 2.440 830 L HA 0.543 4.890 4.340 0.011 0.000 0.262 830 L C 2.020 178.877 176.870 -0.021 0.000 1.072 830 L CA -1.047 53.772 54.840 -0.036 0.000 0.798 830 L CB 0.242 42.277 42.059 -0.039 0.000 1.307 830 L HN 0.650 nan 8.230 nan 0.000 0.475 831 A N 0.440 123.251 122.820 -0.016 0.000 1.978 831 A HA -0.170 4.157 4.320 0.011 0.000 0.220 831 A C 1.098 178.681 177.584 -0.003 0.000 1.170 831 A CA 2.086 54.118 52.037 -0.008 0.000 0.636 831 A CB -0.473 18.521 19.000 -0.009 0.000 0.810 831 A HN 0.908 nan 8.150 nan 0.000 0.448 832 D N -3.060 117.336 120.400 -0.007 0.000 2.636 832 D HA 0.532 5.179 4.640 0.011 0.000 0.270 832 D C -0.068 176.225 176.300 -0.011 0.000 1.430 832 D CA 0.704 54.702 54.000 -0.004 0.000 0.796 832 D CB -0.226 40.569 40.800 -0.008 0.000 1.117 832 D HN 0.534 nan 8.370 nan 0.000 0.480 833 A N -0.596 122.211 122.820 -0.021 0.000 2.483 833 A HA 0.569 4.895 4.320 0.011 0.000 0.294 833 A C -1.928 175.619 177.584 -0.061 0.000 1.077 833 A CA -0.650 51.360 52.037 -0.045 0.000 0.633 833 A CB 1.252 20.219 19.000 -0.056 0.000 1.318 833 A HN 0.036 nan 8.150 nan 0.000 0.455 834 V N 0.610 120.464 119.914 -0.100 0.000 2.495 834 V HA 0.637 4.764 4.120 0.011 0.000 0.298 834 V C -0.879 175.116 176.094 -0.165 0.000 1.031 834 V CA -0.432 61.791 62.300 -0.128 0.000 0.871 834 V CB 1.332 33.077 31.823 -0.129 0.000 0.988 834 V HN 0.904 nan 8.190 nan 0.000 0.432 835 L N 6.428 127.546 121.223 -0.175 0.000 2.313 835 L HA 0.656 5.002 4.340 0.011 0.000 0.283 835 L C -0.806 175.911 176.870 -0.254 0.000 1.013 835 L CA 0.015 54.755 54.840 -0.168 0.000 0.816 835 L CB 1.271 43.263 42.059 -0.112 0.000 1.236 835 L HN 0.424 nan 8.230 nan 0.000 0.419 836 I N 4.335 124.745 120.570 -0.267 0.000 2.362 836 I HA 0.390 4.566 4.170 0.011 0.000 0.289 836 I C -0.235 175.828 176.117 -0.090 0.000 0.994 836 I CA -0.239 60.837 61.300 -0.375 0.000 1.158 836 I CB 1.496 38.963 38.000 -0.887 0.000 1.315 836 I HN 0.570 nan 8.210 nan 0.000 0.451 837 T N 4.849 119.358 114.554 -0.075 0.000 2.792 837 T HA 0.636 4.992 4.350 0.011 0.000 0.280 837 T C 0.231 174.969 174.700 0.064 0.000 0.990 837 T CA -0.541 61.576 62.100 0.029 0.000 0.960 837 T CB 1.762 70.627 68.868 -0.006 0.000 0.939 837 T HN 0.762 nan 8.240 nan 0.000 0.439 838 T N -0.545 114.095 114.554 0.144 0.000 2.906 838 T HA 0.867 5.223 4.350 0.011 0.000 0.295 838 T C -1.199 173.565 174.700 0.108 0.000 1.075 838 T CA -1.085 61.084 62.100 0.116 0.000 1.005 838 T CB 2.029 71.045 68.868 0.247 0.000 1.136 838 T HN 0.785 nan 8.240 nan 0.000 0.498 839 A N 1.557 124.359 122.820 -0.029 0.000 2.437 839 A HA 0.745 5.071 4.320 0.011 0.000 0.293 839 A C -1.410 176.075 177.584 -0.165 0.000 1.038 839 A CA -0.756 51.297 52.037 0.027 0.000 0.708 839 A CB 0.831 19.844 19.000 0.021 0.000 1.251 839 A HN 0.999 nan 8.150 nan 0.000 0.409 840 H N 0.184 119.315 119.070 0.102 0.000 2.747 840 H HA 0.806 5.369 4.556 0.011 0.000 0.371 840 H C -0.057 175.288 175.328 0.028 0.000 1.161 840 H CA 0.262 56.276 56.048 -0.056 0.000 1.167 840 H CB 2.180 31.803 29.762 -0.231 0.000 1.732 840 H HN 0.995 nan 8.280 nan 0.000 0.544 841 A N 1.843 124.656 122.820 -0.012 0.000 2.343 841 A HA 0.372 4.698 4.320 0.011 0.000 0.308 841 A C -1.430 176.135 177.584 -0.031 0.000 1.092 841 A CA -0.698 51.399 52.037 0.101 0.000 0.751 841 A CB 1.068 20.103 19.000 0.058 0.000 1.203 841 A HN 0.565 nan 8.150 nan 0.000 0.452 842 W N 2.199 123.603 121.300 0.173 0.000 2.335 842 W HA 0.451 5.117 4.660 0.011 0.000 0.307 842 W C -0.247 176.287 176.519 0.026 0.000 1.117 842 W CA -0.034 57.406 57.345 0.158 0.000 1.228 842 W CB 1.610 31.226 29.460 0.261 0.000 1.240 842 W HN 0.767 nan 8.180 nan 0.000 0.468 843 Q N 1.447 121.358 119.800 0.184 0.000 2.484 843 Q HA 0.434 4.780 4.340 0.011 0.000 0.285 843 Q C -0.947 175.177 176.000 0.205 0.000 1.097 843 Q CA -0.892 54.989 55.803 0.129 0.000 0.802 843 Q CB 3.642 32.421 28.738 0.068 0.000 1.444 843 Q HN 0.376 nan 8.270 nan 0.000 0.429 844 H N 1.551 120.655 119.070 0.057 0.000 3.179 844 H HA 0.041 4.604 4.556 0.011 0.000 0.331 844 H C -0.968 174.392 175.328 0.053 0.000 1.013 844 H CA -0.082 56.010 56.048 0.074 0.000 1.430 844 H CB 0.945 30.767 29.762 0.100 0.000 1.895 844 H HN 0.735 nan 8.280 nan 0.000 0.468 845 Q N 3.139 122.757 119.800 -0.303 0.000 2.494 845 Q HA -0.172 4.174 4.340 0.011 0.000 0.272 845 Q C 0.995 176.963 176.000 -0.054 0.000 1.145 845 Q CA 1.417 57.104 55.803 -0.194 0.000 0.943 845 Q CB -2.219 26.414 28.738 -0.174 0.000 1.338 845 Q HN 1.214 nan 8.270 nan 0.000 0.492 846 G N -0.651 108.132 108.800 -0.028 0.000 2.159 846 G HA2 -0.365 3.601 3.960 0.011 0.000 0.256 846 G HA3 -0.365 3.601 3.960 0.011 0.000 0.256 846 G C 0.031 174.940 174.900 0.015 0.000 0.977 846 G CA 0.690 45.789 45.100 -0.002 0.000 0.652 846 G HN 0.411 nan 8.290 nan 0.000 0.531 847 K N 1.464 121.884 120.400 0.033 0.000 2.240 847 K HA 0.632 4.958 4.320 0.011 0.000 0.271 847 K C 0.087 176.701 176.600 0.023 0.000 1.018 847 K CA -0.276 56.032 56.287 0.035 0.000 0.874 847 K CB 0.822 33.357 32.500 0.059 0.000 1.098 847 K HN -0.014 nan 8.250 nan 0.000 0.458 848 T N 6.501 121.057 114.554 0.004 0.000 2.723 848 T HA 0.212 4.568 4.350 0.011 0.000 0.297 848 T C 1.151 175.791 174.700 -0.099 0.000 0.925 848 T CA -0.337 61.758 62.100 -0.009 0.000 1.030 848 T CB 0.227 69.107 68.868 0.021 0.000 0.905 848 T HN 0.532 nan 8.240 nan 0.000 0.502 849 L N 2.481 123.553 121.223 -0.252 0.000 2.084 849 L HA 0.288 4.634 4.340 0.011 0.000 0.202 849 L C -0.091 176.268 176.870 -0.852 0.000 1.074 849 L CA 0.952 55.358 54.840 -0.723 0.000 0.757 849 L CB -0.013 41.277 42.059 -1.281 0.000 0.918 849 L HN 0.484 nan 8.230 nan 0.000 0.444 850 F N -1.279 118.632 119.950 -0.065 0.000 2.613 850 F HA 0.606 5.139 4.527 0.011 0.000 0.314 850 F C -0.450 175.456 175.800 0.177 0.000 1.075 850 F CA -1.058 56.855 58.000 -0.146 0.000 0.945 850 F CB 1.516 40.031 39.000 -0.808 0.000 1.310 850 F HN -0.318 nan 8.300 nan 0.000 0.467 851 I N 1.223 122.026 120.570 0.388 0.000 2.533 851 I HA 0.427 4.604 4.170 0.011 0.000 0.290 851 I C -0.896 175.501 176.117 0.467 0.000 1.056 851 I CA -0.578 60.975 61.300 0.422 0.000 1.057 851 I CB 2.279 40.431 38.000 0.254 0.000 1.240 851 I HN 0.569 nan 8.210 nan 0.000 0.423 852 S N 6.640 122.715 115.700 0.625 0.000 2.552 852 S HA 0.581 5.057 4.470 0.011 0.000 0.314 852 S C -0.764 174.096 174.600 0.434 0.000 1.099 852 S CA -0.676 57.865 58.200 0.569 0.000 1.070 852 S CB 0.730 64.408 63.200 0.796 0.000 0.998 852 S HN 0.556 nan 8.310 nan 0.000 0.474 853 R N 3.454 124.130 120.500 0.293 0.000 2.445 853 R HA 0.596 4.942 4.340 0.011 0.000 0.308 853 R C -0.757 175.639 176.300 0.160 0.000 0.961 853 R CA -0.791 55.436 56.100 0.212 0.000 0.862 853 R CB 1.830 32.223 30.300 0.155 0.000 1.144 853 R HN 0.565 nan 8.270 nan 0.000 0.447 854 K N 0.702 121.193 120.400 0.151 0.000 2.480 854 K HA 0.487 4.813 4.320 0.011 0.000 0.258 854 K C -0.917 175.705 176.600 0.036 0.000 0.990 854 K CA -0.988 55.323 56.287 0.039 0.000 0.857 854 K CB 2.506 34.999 32.500 -0.012 0.000 1.384 854 K HN 0.634 nan 8.250 nan 0.000 0.446 855 T N -1.434 113.071 114.554 -0.082 0.000 2.916 855 T HA 0.542 4.898 4.350 0.011 0.000 0.298 855 T C -1.329 173.303 174.700 -0.112 0.000 1.031 855 T CA -0.765 61.328 62.100 -0.011 0.000 0.993 855 T CB 0.483 69.347 68.868 -0.006 0.000 1.045 855 T HN 0.403 nan 8.240 nan 0.000 0.454 856 Y N 0.975 121.252 120.300 -0.039 0.000 2.331 856 Y HA 0.633 5.189 4.550 0.011 0.000 0.334 856 Y C 0.459 176.296 175.900 -0.106 0.000 0.960 856 Y CA -1.135 56.955 58.100 -0.017 0.000 1.130 856 Y CB 1.894 40.375 38.460 0.034 0.000 1.164 856 Y HN 0.670 nan 8.280 nan 0.000 0.458 857 R N 4.460 124.987 120.500 0.046 0.000 2.337 857 R HA 0.623 4.969 4.340 0.011 0.000 0.319 857 R C -1.580 174.667 176.300 -0.088 0.000 0.954 857 R CA -0.391 55.688 56.100 -0.035 0.000 0.840 857 R CB 0.525 30.813 30.300 -0.020 0.000 1.164 857 R HN 0.771 nan 8.270 nan 0.000 0.472 858 I N 5.176 125.632 120.570 -0.192 0.000 2.328 858 I HA 0.192 4.368 4.170 0.011 0.000 0.287 858 I C -0.184 175.812 176.117 -0.202 0.000 1.012 858 I CA -0.721 60.381 61.300 -0.331 0.000 1.195 858 I CB 1.327 38.915 38.000 -0.687 0.000 1.350 858 I HN 0.688 nan 8.210 nan 0.000 0.464 859 D N 4.095 124.424 120.400 -0.118 0.000 2.549 859 D HA 0.275 4.922 4.640 0.011 0.000 0.270 859 D C 1.345 177.634 176.300 -0.019 0.000 1.181 859 D CA -0.680 53.289 54.000 -0.052 0.000 1.070 859 D CB 0.704 41.495 40.800 -0.016 0.000 1.154 859 D HN 0.436 nan 8.370 nan 0.000 0.602 860 G N -1.515 107.290 108.800 0.009 0.000 2.625 860 G HA2 -0.139 3.828 3.960 0.011 0.000 0.214 860 G HA3 -0.139 3.828 3.960 0.011 0.000 0.214 860 G C 1.161 176.105 174.900 0.073 0.000 1.132 860 G CA 0.856 45.979 45.100 0.038 0.000 0.782 860 G HN 0.510 nan 8.290 nan 0.000 0.538 861 S N -1.209 114.533 115.700 0.071 0.000 2.528 861 S HA 0.370 4.847 4.470 0.011 0.000 0.219 861 S C 1.838 176.512 174.600 0.123 0.000 0.985 861 S CA 0.984 59.241 58.200 0.096 0.000 0.914 861 S CB 0.109 63.358 63.200 0.082 0.000 0.776 861 S HN 1.380 nan 8.310 nan 0.000 0.526 862 G N 0.424 109.310 108.800 0.142 0.000 2.176 862 G HA2 -0.208 3.758 3.960 0.011 0.000 0.232 862 G HA3 -0.208 3.758 3.960 0.011 0.000 0.232 862 G C -0.187 174.881 174.900 0.280 0.000 0.986 862 G CA -0.060 45.200 45.100 0.266 0.000 0.643 862 G HN 0.590 nan 8.290 nan 0.000 0.522 863 Q N -0.287 119.607 119.800 0.156 0.000 2.259 863 Q HA 0.653 4.999 4.340 0.011 0.000 0.246 863 Q C 0.204 176.255 176.000 0.085 0.000 0.920 863 Q CA -0.180 55.719 55.803 0.160 0.000 0.895 863 Q CB 1.481 30.296 28.738 0.128 0.000 1.220 863 Q HN 0.442 nan 8.270 nan 0.000 0.439 864 M N 1.850 121.543 119.600 0.155 0.000 2.043 864 M HA 0.500 4.987 4.480 0.011 0.000 0.322 864 M C -1.469 174.939 176.300 0.179 0.000 0.962 864 M CA -0.500 54.859 55.300 0.099 0.000 0.927 864 M CB 1.035 33.715 32.600 0.133 0.000 1.466 864 M HN 0.681 nan 8.290 nan 0.000 0.412 865 A N 6.798 129.683 122.820 0.108 0.000 2.276 865 A HA 0.649 4.975 4.320 0.011 0.000 0.300 865 A C -0.715 176.906 177.584 0.062 0.000 1.235 865 A CA -0.522 51.576 52.037 0.101 0.000 0.867 865 A CB 0.004 19.044 19.000 0.067 0.000 1.137 865 A HN 0.923 nan 8.150 nan 0.000 0.527 866 I N 2.579 123.174 120.570 0.042 0.000 2.362 866 I HA 0.307 4.483 4.170 0.011 0.000 0.289 866 I C -0.141 175.881 176.117 -0.159 0.000 0.994 866 I CA -0.159 61.068 61.300 -0.122 0.000 1.158 866 I CB 2.078 40.023 38.000 -0.092 0.000 1.315 866 I HN 0.499 nan 8.210 nan 0.000 0.451 867 T N 5.833 120.262 114.554 -0.208 0.000 2.779 867 T HA 0.558 4.914 4.350 0.011 0.000 0.280 867 T C -0.302 174.239 174.700 -0.266 0.000 0.987 867 T CA -0.475 61.518 62.100 -0.177 0.000 0.966 867 T CB 1.820 70.681 68.868 -0.012 0.000 0.933 867 T HN 0.199 nan 8.240 nan 0.000 0.442 868 V N 3.605 123.248 119.914 -0.451 0.000 2.588 868 V HA 0.514 4.640 4.120 0.011 0.000 0.304 868 V C -0.778 175.204 176.094 -0.188 0.000 1.042 868 V CA -0.911 61.136 62.300 -0.421 0.000 0.877 868 V CB 2.098 33.378 31.823 -0.904 0.000 0.996 868 V HN 0.852 nan 8.190 nan 0.000 0.425 869 D N 3.159 123.597 120.400 0.062 0.000 2.696 869 D HA 0.537 5.184 4.640 0.011 0.000 0.251 869 D C -1.090 175.349 176.300 0.232 0.000 1.188 869 D CA -0.118 54.005 54.000 0.204 0.000 0.876 869 D CB 2.797 43.725 40.800 0.214 0.000 1.334 869 D HN 0.262 nan 8.370 nan 0.000 0.540 870 V N 2.177 122.261 119.914 0.284 0.000 2.628 870 V HA 0.319 4.445 4.120 0.011 0.000 0.306 870 V C 0.042 176.286 176.094 0.249 0.000 1.045 870 V CA -0.725 61.754 62.300 0.299 0.000 0.905 870 V CB 2.503 34.541 31.823 0.359 0.000 0.997 870 V HN 0.362 nan 8.190 nan 0.000 0.436 871 E N 2.436 122.770 120.200 0.223 0.000 2.171 871 E HA 0.616 4.972 4.350 0.011 0.000 0.271 871 E C -1.530 175.190 176.600 0.201 0.000 0.916 871 E CA -0.566 55.943 56.400 0.180 0.000 0.774 871 E CB 2.529 32.319 29.700 0.149 0.000 1.128 871 E HN 0.419 nan 8.360 nan 0.000 0.403 872 V N 2.222 122.258 119.914 0.204 0.000 2.444 872 V HA 0.355 4.482 4.120 0.011 0.000 0.294 872 V C 0.135 176.330 176.094 0.168 0.000 1.022 872 V CA -0.963 61.488 62.300 0.251 0.000 0.850 872 V CB 1.438 33.444 31.823 0.305 0.000 0.992 872 V HN 0.835 nan 8.190 nan 0.000 0.426 873 A N 3.586 126.461 122.820 0.091 0.000 2.567 873 A HA 0.238 4.564 4.320 0.011 0.000 0.240 873 A C 1.635 179.291 177.584 0.120 0.000 1.053 873 A CA 0.663 52.740 52.037 0.066 0.000 0.755 873 A CB 0.202 19.203 19.000 0.001 0.000 0.978 873 A HN 1.369 nan 8.150 nan 0.000 0.507 874 S N 1.309 117.076 115.700 0.112 0.000 2.442 874 S HA -0.151 4.326 4.470 0.011 0.000 0.236 874 S C 0.923 175.602 174.600 0.131 0.000 1.007 874 S CA 1.266 59.552 58.200 0.142 0.000 0.965 874 S CB -0.250 63.013 63.200 0.105 0.000 0.773 874 S HN 0.830 nan 8.310 nan 0.000 0.504 875 D N 0.353 120.804 120.400 0.086 0.000 2.328 875 D HA 0.114 4.761 4.640 0.011 0.000 0.221 875 D C 0.455 176.788 176.300 0.055 0.000 1.072 875 D CA 0.038 54.072 54.000 0.057 0.000 0.850 875 D CB -0.337 40.485 40.800 0.037 0.000 0.922 875 D HN 0.312 nan 8.370 nan 0.000 0.516 876 T N 1.923 116.535 114.554 0.097 0.000 2.907 876 T HA 0.357 4.713 4.350 0.011 0.000 0.284 876 T C -2.603 172.207 174.700 0.185 0.000 1.004 876 T CA -1.917 60.268 62.100 0.141 0.000 1.063 876 T CB 1.410 70.374 68.868 0.161 0.000 0.992 876 T HN -0.104 nan 8.240 nan 0.000 0.483 877 P HA 0.048 nan 4.420 nan 0.000 0.265 877 P C -0.511 177.097 177.300 0.514 0.000 1.193 877 P CA -0.197 63.008 63.100 0.176 0.000 0.765 877 P CB 0.234 32.005 31.700 0.119 0.000 0.823 878 H N 3.514 122.953 119.070 0.615 0.000 3.070 878 H HA 0.048 4.610 4.556 0.011 0.000 0.313 878 H C -1.612 174.070 175.328 0.590 0.000 0.997 878 H CA -1.479 54.879 56.048 0.517 0.000 1.438 878 H CB -0.866 29.142 29.762 0.409 0.000 1.455 878 H HN 0.389 nan 8.280 nan 0.000 0.575 879 P HA 0.022 nan 4.420 nan 0.000 0.269 879 P C 0.346 177.521 177.300 -0.208 0.000 1.215 879 P CA -0.181 62.952 63.100 0.055 0.000 0.780 879 P CB 0.832 32.415 31.700 -0.196 0.000 0.898 880 A N 3.673 126.094 122.820 -0.665 0.000 2.015 880 A HA -0.084 4.243 4.320 0.011 0.000 0.219 880 A C 1.092 178.290 177.584 -0.643 0.000 1.163 880 A CA 1.223 52.846 52.037 -0.690 0.000 0.646 880 A CB -0.484 17.867 19.000 -1.082 0.000 0.806 880 A HN 0.763 nan 8.150 nan 0.000 0.448 881 R N -2.863 117.298 120.500 -0.566 0.000 2.728 881 R HA 0.732 5.078 4.340 0.011 0.000 0.274 881 R C -1.641 174.420 176.300 -0.398 0.000 1.030 881 R CA -0.779 55.020 56.100 -0.501 0.000 0.876 881 R CB 0.795 30.781 30.300 -0.525 0.000 1.259 881 R HN -0.014 nan 8.270 nan 0.000 0.468 882 I N 1.129 121.497 120.570 -0.337 0.000 2.560 882 I HA 0.645 4.822 4.170 0.011 0.000 0.278 882 I C -0.455 175.440 176.117 -0.370 0.000 1.089 882 I CA -0.345 60.779 61.300 -0.293 0.000 1.086 882 I CB 1.779 39.666 38.000 -0.189 0.000 1.202 882 I HN 0.990 nan 8.210 nan 0.000 0.471 883 G N 5.691 114.214 108.800 -0.462 0.000 2.578 883 G HA2 0.722 4.689 3.960 0.011 0.000 0.302 883 G HA3 0.722 4.689 3.960 0.011 0.000 0.302 883 G C -1.698 173.032 174.900 -0.283 0.000 1.243 883 G CA -0.571 44.298 45.100 -0.384 0.000 0.843 883 G HN 0.251 nan 8.290 nan 0.000 0.486 884 L N 0.906 122.012 121.223 -0.196 0.000 2.309 884 L HA 0.674 5.020 4.340 0.011 0.000 0.261 884 L C -0.677 176.086 176.870 -0.178 0.000 1.021 884 L CA -1.122 53.625 54.840 -0.154 0.000 0.823 884 L CB 2.462 44.511 42.059 -0.018 0.000 1.366 884 L HN 0.826 nan 8.230 nan 0.000 0.423 885 N N 0.480 119.104 118.700 -0.127 0.000 2.591 885 N HA 0.686 5.433 4.740 0.011 0.000 0.263 885 N C -1.364 174.149 175.510 0.005 0.000 1.308 885 N CA -0.487 52.525 53.050 -0.064 0.000 0.837 885 N CB 2.537 41.007 38.487 -0.028 0.000 1.548 885 N HN 0.876 nan 8.380 nan 0.000 0.493 886 C N -1.274 118.047 119.300 0.035 0.000 3.292 886 C HA 0.531 4.998 4.460 0.011 0.000 0.338 886 C C -1.238 173.568 174.990 -0.307 0.000 1.323 886 C CA -0.845 58.135 59.018 -0.063 0.000 1.232 886 C CB 1.019 28.747 27.740 -0.021 0.000 1.517 886 C HN 0.866 nan 8.230 nan 0.000 0.470 887 Q N 1.391 120.802 119.800 -0.647 0.000 2.372 887 Q HA 0.650 4.996 4.340 0.011 0.000 0.259 887 Q C -1.003 174.715 176.000 -0.470 0.000 0.993 887 Q CA -0.439 54.766 55.803 -0.997 0.000 0.854 887 Q CB 0.842 28.623 28.738 -1.594 0.000 1.231 887 Q HN 0.761 nan 8.270 nan 0.000 0.462 888 L N 2.676 123.729 121.223 -0.285 0.000 2.426 888 L HA 0.219 4.565 4.340 0.011 0.000 0.271 888 L C 1.195 178.008 176.870 -0.095 0.000 1.169 888 L CA -0.143 54.653 54.840 -0.073 0.000 0.836 888 L CB 0.808 42.942 42.059 0.125 0.000 1.112 888 L HN 0.818 nan 8.230 nan 0.000 0.465 889 A N 2.379 125.165 122.820 -0.056 0.000 2.066 889 A HA -0.070 4.257 4.320 0.011 0.000 0.218 889 A C 1.034 178.602 177.584 -0.027 0.000 1.157 889 A CA 0.704 52.698 52.037 -0.072 0.000 0.670 889 A CB -0.161 18.786 19.000 -0.088 0.000 0.804 889 A HN 0.806 nan 8.150 nan 0.000 0.453 890 Q N -0.323 119.497 119.800 0.034 0.000 2.221 890 Q HA 0.528 4.874 4.340 0.011 0.000 0.242 890 Q C -1.625 174.411 176.000 0.060 0.000 0.940 890 Q CA -0.388 55.426 55.803 0.019 0.000 0.896 890 Q CB 1.417 30.148 28.738 -0.013 0.000 1.226 890 Q HN 0.120 nan 8.270 nan 0.000 0.463 891 V N 2.557 122.472 119.914 0.001 0.000 2.380 891 V HA 0.595 4.722 4.120 0.011 0.000 0.286 891 V C -0.558 175.502 176.094 -0.056 0.000 1.015 891 V CA -0.558 61.772 62.300 0.050 0.000 0.834 891 V CB 0.962 32.801 31.823 0.027 0.000 1.009 891 V HN 0.865 nan 8.190 nan 0.000 0.428 892 A N 3.349 126.069 122.820 -0.166 0.000 2.281 892 A HA 0.713 5.040 4.320 0.011 0.000 0.329 892 A C 0.770 178.353 177.584 -0.001 0.000 1.122 892 A CA -0.427 51.462 52.037 -0.247 0.000 0.850 892 A CB 0.934 19.531 19.000 -0.672 0.000 1.207 892 A HN 0.816 nan 8.150 nan 0.000 0.495 893 E N -0.063 120.135 120.200 -0.003 0.000 2.122 893 E HA -0.007 4.350 4.350 0.011 0.000 0.190 893 E C 0.082 176.748 176.600 0.109 0.000 0.977 893 E CA 0.555 56.986 56.400 0.053 0.000 0.820 893 E CB 0.134 29.848 29.700 0.024 0.000 0.770 893 E HN 0.440 nan 8.360 nan 0.000 0.462 894 R N 0.592 121.161 120.500 0.115 0.000 2.832 894 R HA 0.539 4.886 4.340 0.011 0.000 0.271 894 R C -0.704 175.773 176.300 0.294 0.000 0.996 894 R CA -0.843 55.362 56.100 0.174 0.000 0.977 894 R CB 1.859 32.230 30.300 0.118 0.000 1.168 894 R HN -0.165 nan 8.270 nan 0.000 0.482 895 V N 2.039 122.150 119.914 0.329 0.000 2.482 895 V HA 0.321 4.447 4.120 0.011 0.000 0.295 895 V C -0.370 176.008 176.094 0.472 0.000 1.026 895 V CA -0.937 61.608 62.300 0.409 0.000 0.856 895 V CB 1.826 33.848 31.823 0.330 0.000 1.001 895 V HN 0.653 nan 8.190 nan 0.000 0.424 896 N N 4.646 123.588 118.700 0.404 0.000 2.372 896 N HA 0.545 5.291 4.740 0.011 0.000 0.285 896 N C -1.332 174.427 175.510 0.414 0.000 1.008 896 N CA -0.399 52.850 53.050 0.332 0.000 0.880 896 N CB 2.567 41.142 38.487 0.147 0.000 1.239 896 N HN 0.802 nan 8.380 nan 0.000 0.484 897 W N 3.355 124.691 121.300 0.060 0.000 3.167 897 W HA 0.564 5.230 4.660 0.010 0.000 0.324 897 W C -2.078 174.398 176.519 -0.071 0.000 1.230 897 W CA -1.116 56.235 57.345 0.011 0.000 1.184 897 W CB 0.643 30.144 29.460 0.069 0.000 1.414 897 W HN 0.213 nan 8.180 nan 0.000 0.551 898 L N 4.392 125.590 121.223 -0.041 0.000 2.277 898 L HA 0.910 5.256 4.340 0.011 0.000 0.284 898 L C 0.029 176.712 176.870 -0.312 0.000 1.028 898 L CA 0.340 54.958 54.840 -0.370 0.000 0.835 898 L CB 0.518 42.445 42.059 -0.221 0.000 1.215 898 L HN 0.998 nan 8.230 nan 0.000 0.425 899 G N 3.735 112.218 108.800 -0.529 0.000 2.335 899 G HA2 0.205 4.171 3.960 0.011 0.000 0.291 899 G HA3 0.205 4.171 3.960 0.011 0.000 0.291 899 G C -1.577 173.351 174.900 0.047 0.000 1.261 899 G CA -1.072 43.939 45.100 -0.149 0.000 0.871 899 G HN 0.432 nan 8.290 nan 0.000 0.491 900 L N 1.058 122.433 121.223 0.255 0.000 2.410 900 L HA 0.567 4.913 4.340 0.011 0.000 0.273 900 L C 1.120 178.109 176.870 0.197 0.000 1.152 900 L CA 0.855 55.818 54.840 0.204 0.000 0.855 900 L CB 0.388 42.519 42.059 0.120 0.000 1.129 900 L HN 1.166 nan 8.230 nan 0.000 0.463 901 G N 2.893 111.602 108.800 -0.152 0.000 2.428 901 G HA2 0.243 4.210 3.960 0.011 0.000 0.305 901 G HA3 0.243 4.210 3.960 0.011 0.000 0.305 901 G C -2.693 171.412 174.900 -1.325 0.000 1.260 901 G CA -0.216 44.457 45.100 -0.711 0.000 0.853 901 G HN 0.330 nan 8.290 nan 0.000 0.480 902 P HA 0.037 nan 4.420 nan 0.000 0.224 902 P C 0.435 177.549 177.300 -0.310 0.000 1.157 902 P CA 0.706 63.148 63.100 -1.097 0.000 0.799 902 P CB 0.422 31.583 31.700 -0.898 0.000 0.809 903 Q N 0.639 120.246 119.800 -0.323 0.000 2.382 903 Q HA 0.132 4.478 4.340 0.011 0.000 0.229 903 Q C 0.488 176.388 176.000 -0.167 0.000 1.006 903 Q CA -0.524 55.170 55.803 -0.182 0.000 0.916 903 Q CB 0.596 29.245 28.738 -0.149 0.000 1.235 903 Q HN 0.162 nan 8.270 nan 0.000 0.512 904 E N 1.482 121.592 120.200 -0.151 0.000 2.529 904 E HA -0.102 4.255 4.350 0.011 0.000 0.259 904 E C -1.152 175.391 176.600 -0.094 0.000 0.966 904 E CA 0.253 56.558 56.400 -0.159 0.000 0.937 904 E CB 0.236 29.899 29.700 -0.063 0.000 0.923 904 E HN 0.620 nan 8.360 nan 0.000 0.468 905 N N 2.739 121.321 118.700 -0.196 0.000 2.367 905 N HA 0.310 5.057 4.740 0.011 0.000 0.278 905 N C -1.883 173.454 175.510 -0.289 0.000 1.117 905 N CA -0.690 52.302 53.050 -0.097 0.000 0.867 905 N CB 0.721 39.155 38.487 -0.087 0.000 1.649 905 N HN 0.243 nan 8.380 nan 0.000 0.479 906 Y N 0.126 120.347 120.300 -0.131 0.000 2.630 906 Y HA 0.512 5.068 4.550 0.011 0.000 0.337 906 Y C -1.604 174.235 175.900 -0.103 0.000 1.051 906 Y CA -2.075 55.938 58.100 -0.146 0.000 1.121 906 Y CB 1.617 39.991 38.460 -0.143 0.000 1.299 906 Y HN 0.443 nan 8.280 nan 0.000 0.498 907 P HA -0.211 nan 4.420 nan 0.000 0.217 907 P C 0.457 177.630 177.300 -0.211 0.000 1.158 907 P CA 2.359 65.505 63.100 0.076 0.000 0.887 907 P CB 0.178 32.027 31.700 0.249 0.000 0.792 908 D N -2.303 117.723 120.400 -0.624 0.000 2.325 908 D HA -0.014 4.632 4.640 0.011 0.000 0.225 908 D C 0.681 176.819 176.300 -0.270 0.000 1.096 908 D CA 0.197 53.622 54.000 -0.958 0.000 0.844 908 D CB -0.354 39.693 40.800 -1.255 0.000 0.925 908 D HN 0.135 nan 8.370 nan 0.000 0.513 909 R N 0.940 121.390 120.500 -0.083 0.000 2.684 909 R HA 0.189 4.535 4.340 0.011 0.000 0.252 909 R C -0.676 175.667 176.300 0.072 0.000 1.628 909 R CA -0.168 55.955 56.100 0.038 0.000 1.622 909 R CB 0.069 30.396 30.300 0.045 0.000 1.418 909 R HN 0.116 nan 8.270 nan 0.000 0.697 910 L N -1.656 119.616 121.223 0.082 0.000 3.386 910 L HA 0.336 4.683 4.340 0.011 0.000 0.307 910 L C 1.290 178.228 176.870 0.114 0.000 1.235 910 L CA 0.113 55.001 54.840 0.081 0.000 1.056 910 L CB 0.183 42.281 42.059 0.065 0.000 1.453 910 L HN 0.095 nan 8.230 nan 0.000 0.615 911 T N -2.674 111.974 114.554 0.157 0.000 2.867 911 T HA 0.021 4.377 4.350 0.011 0.000 0.268 911 T C 1.808 176.574 174.700 0.110 0.000 1.057 911 T CA 1.292 63.511 62.100 0.197 0.000 1.136 911 T CB -0.328 68.707 68.868 0.279 0.000 0.874 911 T HN 0.384 nan 8.240 nan 0.000 0.466 912 A N 1.818 124.701 122.820 0.106 0.000 2.014 912 A HA 0.613 4.939 4.320 0.011 0.000 0.218 912 A C 1.690 179.352 177.584 0.130 0.000 1.163 912 A CA 0.609 52.663 52.037 0.028 0.000 0.652 912 A CB -1.039 18.107 19.000 0.243 0.000 0.808 912 A HN 0.843 nan 8.150 nan 0.000 0.449 913 A N -1.145 121.708 122.820 0.055 0.000 2.425 913 A HA 0.428 4.755 4.320 0.011 0.000 0.242 913 A C 0.060 177.670 177.584 0.043 0.000 1.077 913 A CA 0.064 52.094 52.037 -0.011 0.000 0.781 913 A CB -0.176 18.811 19.000 -0.022 0.000 1.020 913 A HN 0.523 nan 8.150 nan 0.000 0.494 914 C N 0.418 119.738 119.300 0.034 0.000 2.561 914 C HA 0.556 5.023 4.460 0.011 0.000 0.319 914 C C -0.191 174.902 174.990 0.172 0.000 1.198 914 C CA -0.513 58.578 59.018 0.122 0.000 1.665 914 C CB 0.908 28.734 27.740 0.145 0.000 2.258 914 C HN 0.791 nan 8.230 nan 0.000 0.493 915 F N 3.561 123.346 119.950 -0.275 0.000 2.445 915 F HA 0.507 5.041 4.527 0.011 0.000 0.359 915 F C 0.349 175.815 175.800 -0.557 0.000 1.101 915 F CA 1.157 58.835 58.000 -0.536 0.000 1.177 915 F CB 0.030 38.152 39.000 -1.463 0.000 1.110 915 F HN 0.631 nan 8.300 nan 0.000 0.522 916 D N 3.227 123.002 120.400 -1.042 0.000 2.809 916 D HA 0.148 4.794 4.640 0.011 0.000 0.336 916 D C -1.682 173.718 176.300 -1.501 0.000 1.367 916 D CA -0.727 52.554 54.000 -1.197 0.000 0.815 916 D CB 1.428 41.427 40.800 -1.336 0.000 1.381 916 D HN 0.449 nan 8.370 nan 0.000 0.471 917 R N 0.853 120.598 120.500 -1.259 0.000 2.202 917 R HA 0.465 4.811 4.340 0.011 0.000 0.334 917 R C -1.370 174.208 176.300 -1.203 0.000 1.036 917 R CA -0.084 55.429 56.100 -0.978 0.000 0.878 917 R CB 0.009 29.964 30.300 -0.574 0.000 1.067 917 R HN 0.267 nan 8.270 nan 0.000 0.457 918 W N 2.889 123.660 121.300 -0.881 0.000 2.627 918 W HA 0.407 5.073 4.660 0.011 0.000 0.339 918 W C -0.374 175.729 176.519 -0.693 0.000 1.058 918 W CA -0.706 56.039 57.345 -1.000 0.000 1.223 918 W CB 1.713 30.082 29.460 -1.819 0.000 1.389 918 W HN 0.382 nan 8.180 nan 0.000 0.541 919 D N 3.197 123.536 120.400 -0.101 0.000 2.602 919 D HA 0.433 5.080 4.640 0.011 0.000 0.245 919 D C -1.442 174.951 176.300 0.154 0.000 1.325 919 D CA -0.139 53.903 54.000 0.069 0.000 0.952 919 D CB 0.994 41.801 40.800 0.012 0.000 1.317 919 D HN 0.368 nan 8.370 nan 0.000 0.577 920 L N 3.307 124.702 121.223 0.287 0.000 2.327 920 L HA 0.599 4.945 4.340 0.011 0.000 0.258 920 L C -2.258 174.734 176.870 0.203 0.000 1.024 920 L CA -2.048 52.933 54.840 0.235 0.000 0.825 920 L CB 2.778 45.013 42.059 0.293 0.000 1.386 920 L HN 0.178 nan 8.230 nan 0.000 0.417 921 P HA 0.032 nan 4.420 nan 0.000 0.274 921 P C 0.571 177.952 177.300 0.134 0.000 1.231 921 P CA -0.454 62.719 63.100 0.123 0.000 0.790 921 P CB 1.317 33.068 31.700 0.086 0.000 0.951 922 L N 3.506 124.813 121.223 0.139 0.000 2.051 922 L HA -0.274 4.073 4.340 0.011 0.000 0.214 922 L C 2.497 179.417 176.870 0.083 0.000 1.076 922 L CA 2.893 57.806 54.840 0.122 0.000 0.758 922 L CB -1.697 40.443 42.059 0.134 0.000 0.890 922 L HN 0.514 nan 8.230 nan 0.000 0.433 923 S N -1.578 114.173 115.700 0.085 0.000 2.387 923 S HA -0.228 4.248 4.470 0.011 0.000 0.230 923 S C 1.652 176.323 174.600 0.118 0.000 1.035 923 S CA 1.415 59.679 58.200 0.106 0.000 1.014 923 S CB -0.882 62.372 63.200 0.090 0.000 0.836 923 S HN 0.570 nan 8.310 nan 0.000 0.466 924 D N 0.957 121.405 120.400 0.081 0.000 2.348 924 D HA 0.095 4.741 4.640 0.011 0.000 0.216 924 D C 1.195 177.503 176.300 0.013 0.000 0.970 924 D CA 0.550 54.577 54.000 0.045 0.000 0.889 924 D CB -0.150 40.683 40.800 0.054 0.000 0.912 924 D HN 0.378 nan 8.370 nan 0.000 0.524 925 M N -0.279 119.336 119.600 0.025 0.000 2.628 925 M HA 0.029 4.515 4.480 0.011 0.000 0.232 925 M C -0.031 176.267 176.300 -0.004 0.000 1.128 925 M CA 0.019 55.283 55.300 -0.059 0.000 1.040 925 M CB -0.974 31.577 32.600 -0.082 0.000 1.608 925 M HN -0.045 nan 8.290 nan 0.000 0.507 926 Y N -0.246 120.009 120.300 -0.074 0.000 2.391 926 Y HA 0.480 5.037 4.550 0.011 0.000 0.341 926 Y C -0.763 175.090 175.900 -0.079 0.000 0.965 926 Y CA -1.127 56.950 58.100 -0.039 0.000 1.067 926 Y CB 1.273 39.768 38.460 0.057 0.000 1.199 926 Y HN -0.134 nan 8.280 nan 0.000 0.450 927 T N 9.134 123.263 114.554 -0.709 0.000 2.743 927 T HA 0.261 4.617 4.350 0.011 0.000 0.292 927 T C -2.556 171.402 174.700 -1.236 0.000 0.972 927 T CA -1.466 60.118 62.100 -0.860 0.000 0.967 927 T CB 1.002 69.394 68.868 -0.793 0.000 0.926 927 T HN 0.475 nan 8.240 nan 0.000 0.459 928 P HA 0.037 nan 4.420 nan 0.000 0.246 928 P C -0.671 176.488 177.300 -0.235 0.000 1.675 928 P CA -0.369 62.327 63.100 -0.674 0.000 0.908 928 P CB -0.619 30.795 31.700 -0.477 0.000 1.890 929 Y N -0.136 120.114 120.300 -0.083 0.000 2.620 929 Y HA -0.095 4.462 4.550 0.011 0.000 0.330 929 Y C 2.255 178.222 175.900 0.113 0.000 1.186 929 Y CA -0.007 58.120 58.100 0.044 0.000 1.467 929 Y CB 0.091 38.509 38.460 -0.071 0.000 1.262 929 Y HN -0.098 nan 8.280 nan 0.000 0.550 930 V N 3.474 123.628 119.914 0.400 0.000 2.324 930 V HA -0.312 3.814 4.120 0.011 0.000 0.250 930 V C 0.719 177.000 176.094 0.311 0.000 1.060 930 V CA 1.510 64.014 62.300 0.340 0.000 1.042 930 V CB -0.662 31.400 31.823 0.399 0.000 0.650 930 V HN 0.606 nan 8.190 nan 0.000 0.450 931 F N 2.845 122.874 119.950 0.132 0.000 2.350 931 F HA 0.495 5.028 4.527 0.011 0.000 0.365 931 F C -2.355 173.466 175.800 0.035 0.000 1.122 931 F CA -3.586 54.433 58.000 0.032 0.000 1.139 931 F CB 0.555 39.492 39.000 -0.106 0.000 1.220 931 F HN 0.005 nan 8.300 nan 0.000 0.499 932 P HA 0.143 nan 4.420 nan 0.000 0.265 932 P C -0.942 176.131 177.300 -0.379 0.000 1.187 932 P CA 0.413 63.324 63.100 -0.315 0.000 0.766 932 P CB 0.822 32.325 31.700 -0.327 0.000 0.820 933 S N 0.347 115.976 115.700 -0.119 0.000 2.656 933 S HA 0.399 4.875 4.470 0.011 0.000 0.265 933 S C -0.937 173.677 174.600 0.023 0.000 1.132 933 S CA -1.034 57.128 58.200 -0.064 0.000 0.819 933 S CB 0.414 63.596 63.200 -0.030 0.000 1.119 933 S HN 0.328 nan 8.310 nan 0.000 0.476 934 E N 1.231 121.452 120.200 0.035 0.000 2.502 934 E HA 0.387 4.744 4.350 0.011 0.000 0.261 934 E C -0.139 176.538 176.600 0.129 0.000 0.974 934 E CA 0.943 57.393 56.400 0.083 0.000 0.936 934 E CB -0.189 29.585 29.700 0.123 0.000 0.926 934 E HN 0.830 nan 8.360 nan 0.000 0.459 935 N N 1.284 120.088 118.700 0.174 0.000 3.185 935 N HA 0.461 5.207 4.740 0.011 0.000 0.238 935 N C 0.173 175.742 175.510 0.098 0.000 1.451 935 N CA -0.522 52.664 53.050 0.228 0.000 0.888 935 N CB 0.716 39.342 38.487 0.233 0.000 1.413 935 N HN 0.725 nan 8.380 nan 0.000 0.511 936 G N -1.301 107.516 108.800 0.029 0.000 2.168 936 G HA2 -0.274 3.693 3.960 0.011 0.000 0.263 936 G HA3 -0.274 3.693 3.960 0.011 0.000 0.263 936 G C -0.193 174.456 174.900 -0.419 0.000 0.977 936 G CA 0.526 45.525 45.100 -0.169 0.000 0.659 936 G HN 0.738 nan 8.290 nan 0.000 0.533 937 L N -0.079 120.834 121.223 -0.517 0.000 2.483 937 L HA 0.692 5.039 4.340 0.011 0.000 0.276 937 L C 0.604 176.917 176.870 -0.928 0.000 1.213 937 L CA 0.298 54.591 54.840 -0.912 0.000 0.843 937 L CB 0.590 41.803 42.059 -1.409 0.000 1.107 937 L HN 0.231 nan 8.230 nan 0.000 0.487 938 R N 2.528 122.410 120.500 -1.031 0.000 2.538 938 R HA 0.495 4.841 4.340 0.011 0.000 0.292 938 R C -1.057 174.929 176.300 -0.524 0.000 1.008 938 R CA -0.284 55.347 56.100 -0.781 0.000 0.896 938 R CB 1.372 31.032 30.300 -1.068 0.000 1.187 938 R HN 0.730 nan 8.270 nan 0.000 0.440 939 C N 0.259 119.387 119.300 -0.286 0.000 2.380 939 C HA 0.713 5.179 4.460 0.011 0.000 0.393 939 C C 1.336 176.320 174.990 -0.010 0.000 1.284 939 C CA -0.052 58.875 59.018 -0.152 0.000 2.033 939 C CB 1.245 28.912 27.740 -0.122 0.000 2.165 939 C HN 1.023 nan 8.230 nan 0.000 0.540 940 G N 1.615 110.418 108.800 0.005 0.000 2.379 940 G HA2 -0.193 3.773 3.960 0.011 0.000 0.297 940 G HA3 -0.193 3.773 3.960 0.011 0.000 0.297 940 G C -0.027 174.937 174.900 0.106 0.000 1.004 940 G CA 0.651 45.798 45.100 0.079 0.000 0.921 940 G HN 0.807 nan 8.290 nan 0.000 0.511 941 T N 0.112 114.614 114.554 -0.086 0.000 2.771 941 T HA 0.483 4.840 4.350 0.011 0.000 0.291 941 T C 1.357 175.766 174.700 -0.485 0.000 0.954 941 T CA -0.571 61.430 62.100 -0.165 0.000 1.045 941 T CB 1.270 70.069 68.868 -0.116 0.000 0.917 941 T HN 0.234 nan 8.240 nan 0.000 0.484 942 R N 1.636 122.052 120.500 -0.139 0.000 2.282 942 R HA 0.289 4.635 4.340 0.011 0.000 0.195 942 R C 0.509 176.812 176.300 0.006 0.000 0.909 942 R CA 0.159 56.220 56.100 -0.064 0.000 1.039 942 R CB 0.358 30.755 30.300 0.162 0.000 1.015 942 R HN 0.699 nan 8.270 nan 0.000 0.513 943 E N 0.504 120.718 120.200 0.023 0.000 2.347 943 E HA 0.295 4.651 4.350 0.011 0.000 0.285 943 E C -1.884 174.825 176.600 0.181 0.000 0.925 943 E CA -0.648 55.845 56.400 0.154 0.000 0.779 943 E CB 1.483 31.250 29.700 0.112 0.000 1.233 943 E HN -0.082 nan 8.360 nan 0.000 0.414 944 L N 4.246 125.629 121.223 0.267 0.000 2.381 944 L HA 0.580 4.927 4.340 0.011 0.000 0.274 944 L C -1.811 175.235 176.870 0.293 0.000 0.988 944 L CA -0.406 54.539 54.840 0.175 0.000 0.824 944 L CB 1.662 43.674 42.059 -0.079 0.000 1.263 944 L HN 0.460 nan 8.230 nan 0.000 0.410 945 N N 4.730 123.578 118.700 0.247 0.000 2.372 945 N HA 0.369 5.116 4.740 0.011 0.000 0.285 945 N C -1.946 173.769 175.510 0.342 0.000 1.008 945 N CA -0.261 52.921 53.050 0.221 0.000 0.880 945 N CB 2.115 40.679 38.487 0.128 0.000 1.239 945 N HN 0.589 nan 8.380 nan 0.000 0.484 946 Y N 1.435 121.850 120.300 0.191 0.000 2.307 946 Y HA 0.399 4.955 4.550 0.011 0.000 0.323 946 Y C 0.650 176.628 175.900 0.130 0.000 1.100 946 Y CA 0.090 58.315 58.100 0.209 0.000 1.140 946 Y CB 0.533 39.202 38.460 0.348 0.000 1.159 946 Y HN 0.859 nan 8.280 nan 0.000 0.436 947 G N 6.544 115.157 108.800 -0.313 0.000 2.561 947 G HA2 -0.298 3.668 3.960 0.011 0.000 0.289 947 G HA3 -0.298 3.668 3.960 0.011 0.000 0.289 947 G C -1.680 173.075 174.900 -0.242 0.000 1.169 947 G CA 0.137 45.036 45.100 -0.336 0.000 0.980 947 G HN 0.594 nan 8.290 nan 0.000 0.550 948 P HA 0.164 nan 4.420 nan 0.000 0.255 948 P C 0.091 177.167 177.300 -0.374 0.000 1.248 948 P CA 0.586 63.475 63.100 -0.351 0.000 0.807 948 P CB 0.065 31.528 31.700 -0.394 0.000 1.150 949 H N 0.571 119.539 119.070 -0.171 0.000 2.481 949 H HA 0.461 5.023 4.556 0.011 0.000 0.339 949 H C -0.063 174.903 175.328 -0.604 0.000 1.131 949 H CA 0.067 55.851 56.048 -0.440 0.000 1.301 949 H CB 1.531 30.812 29.762 -0.801 0.000 1.476 949 H HN 0.111 nan 8.280 nan 0.000 0.529 950 Q N 2.406 121.840 119.800 -0.609 0.000 2.271 950 Q HA 0.225 4.571 4.340 0.011 0.000 0.268 950 Q C -1.638 174.038 176.000 -0.539 0.000 1.021 950 Q CA -0.686 54.886 55.803 -0.385 0.000 0.802 950 Q CB 2.056 30.731 28.738 -0.105 0.000 1.282 950 Q HN 0.583 nan 8.270 nan 0.000 0.431 951 W N 4.062 125.293 121.300 -0.116 0.000 2.587 951 W HA 0.559 5.225 4.660 0.011 0.000 0.324 951 W C -0.248 176.343 176.519 0.120 0.000 1.040 951 W CA -0.675 56.581 57.345 -0.148 0.000 1.222 951 W CB 1.857 31.047 29.460 -0.451 0.000 1.381 951 W HN 0.497 nan 8.180 nan 0.000 0.483 952 R N 1.045 121.765 120.500 0.368 0.000 2.670 952 R HA 0.786 5.132 4.340 0.011 0.000 0.289 952 R C 0.243 176.806 176.300 0.437 0.000 0.965 952 R CA -0.483 55.843 56.100 0.377 0.000 0.899 952 R CB 2.381 32.816 30.300 0.226 0.000 1.173 952 R HN 0.744 nan 8.270 nan 0.000 0.456 953 G N 0.830 109.879 108.800 0.414 0.000 2.600 953 G HA2 0.007 3.974 3.960 0.011 0.000 0.103 953 G HA3 0.007 3.974 3.960 0.011 0.000 0.103 953 G C -1.745 173.255 174.900 0.166 0.000 1.090 953 G CA -0.315 44.997 45.100 0.353 0.000 1.090 953 G HN 0.488 nan 8.290 nan 0.000 0.500 954 D N -0.009 120.491 120.400 0.167 0.000 2.411 954 D HA 0.572 5.218 4.640 0.011 0.000 0.239 954 D C -0.740 175.548 176.300 -0.019 0.000 1.307 954 D CA -0.475 53.505 54.000 -0.032 0.000 0.930 954 D CB 0.151 40.976 40.800 0.041 0.000 1.395 954 D HN 0.541 nan 8.370 nan 0.000 0.536 955 F N -0.246 119.688 119.950 -0.027 0.000 2.726 955 F HA 0.748 5.281 4.527 0.011 0.000 0.324 955 F C -0.981 174.773 175.800 -0.076 0.000 1.140 955 F CA -1.012 56.914 58.000 -0.124 0.000 0.964 955 F CB 0.739 39.660 39.000 -0.132 0.000 1.399 955 F HN -0.163 nan 8.300 nan 0.000 0.491 956 Q N 1.455 121.349 119.800 0.157 0.000 2.348 956 Q HA 0.659 5.005 4.340 0.011 0.000 0.271 956 Q C -1.282 174.796 176.000 0.130 0.000 1.067 956 Q CA -0.534 55.273 55.803 0.007 0.000 0.839 956 Q CB 2.728 31.356 28.738 -0.182 0.000 1.354 956 Q HN 0.849 nan 8.270 nan 0.000 0.447 957 F N -1.142 118.677 119.950 -0.218 0.000 2.693 957 F HA 0.731 5.264 4.527 0.011 0.000 0.309 957 F C -1.743 173.829 175.800 -0.380 0.000 1.129 957 F CA -1.106 56.725 58.000 -0.282 0.000 0.948 957 F CB 1.464 40.322 39.000 -0.236 0.000 1.315 957 F HN 0.576 nan 8.300 nan 0.000 0.447 958 N N 1.919 120.408 118.700 -0.351 0.000 2.277 958 N HA 0.713 5.459 4.740 0.011 0.000 0.286 958 N C -2.172 173.244 175.510 -0.156 0.000 1.140 958 N CA -0.710 52.107 53.050 -0.388 0.000 0.799 958 N CB 2.573 40.875 38.487 -0.309 0.000 1.596 958 N HN 1.143 nan 8.380 nan 0.000 0.473 959 I N 0.606 121.083 120.570 -0.155 0.000 2.644 959 I HA 0.733 4.910 4.170 0.011 0.000 0.291 959 I C -1.367 174.656 176.117 -0.157 0.000 1.180 959 I CA -0.012 61.179 61.300 -0.181 0.000 1.040 959 I CB 1.427 39.257 38.000 -0.282 0.000 1.255 959 I HN 1.059 nan 8.210 nan 0.000 0.422 960 S N 6.236 121.857 115.700 -0.132 0.000 2.683 960 S HA 0.507 4.984 4.470 0.011 0.000 0.269 960 S C -0.262 174.217 174.600 -0.202 0.000 1.165 960 S CA -0.959 57.147 58.200 -0.157 0.000 0.840 960 S CB 1.564 64.711 63.200 -0.090 0.000 1.169 960 S HN 0.637 nan 8.310 nan 0.000 0.490 961 R N -0.190 120.011 120.500 -0.498 0.000 2.334 961 R HA 0.272 4.619 4.340 0.011 0.000 0.220 961 R C -0.970 174.987 176.300 -0.572 0.000 0.917 961 R CA 0.313 56.096 56.100 -0.528 0.000 1.073 961 R CB -0.934 28.955 30.300 -0.685 0.000 1.056 961 R HN 0.622 nan 8.270 nan 0.000 0.506 962 Y N -0.050 120.209 120.300 -0.069 0.000 2.376 962 Y HA 0.265 4.821 4.550 0.011 0.000 0.340 962 Y C 0.656 176.355 175.900 -0.335 0.000 0.965 962 Y CA -1.601 56.378 58.100 -0.203 0.000 1.078 962 Y CB 1.374 39.654 38.460 -0.301 0.000 1.193 962 Y HN -0.114 nan 8.280 nan 0.000 0.452 963 S N 1.786 117.165 115.700 -0.534 0.000 2.601 963 S HA 0.120 4.597 4.470 0.011 0.000 0.271 963 S C 0.845 175.111 174.600 -0.558 0.000 1.305 963 S CA -0.772 56.749 58.200 -1.131 0.000 1.022 963 S CB 1.258 63.513 63.200 -1.575 0.000 0.940 963 S HN 0.687 nan 8.310 nan 0.000 0.525 964 Q N 0.791 120.287 119.800 -0.507 0.000 2.234 964 Q HA -0.200 4.146 4.340 0.011 0.000 0.206 964 Q C 2.085 177.947 176.000 -0.230 0.000 0.980 964 Q CA 1.687 57.328 55.803 -0.269 0.000 0.869 964 Q CB -0.445 28.168 28.738 -0.208 0.000 0.912 964 Q HN 0.949 nan 8.270 nan 0.000 0.436 965 Q N 0.461 120.081 119.800 -0.300 0.000 2.046 965 Q HA -0.194 4.153 4.340 0.011 0.000 0.200 965 Q C 2.123 178.015 176.000 -0.180 0.000 0.975 965 Q CA 1.365 57.048 55.803 -0.199 0.000 0.836 965 Q CB 0.067 28.689 28.738 -0.192 0.000 0.896 965 Q HN 0.409 nan 8.270 nan 0.000 0.428 966 Q N 0.055 119.722 119.800 -0.222 0.000 2.079 966 Q HA -0.153 4.193 4.340 0.011 0.000 0.200 966 Q C 2.188 178.065 176.000 -0.204 0.000 0.974 966 Q CA 1.117 56.806 55.803 -0.190 0.000 0.840 966 Q CB -0.051 28.550 28.738 -0.228 0.000 0.898 966 Q HN 0.450 nan 8.270 nan 0.000 0.430 967 L N 0.235 121.331 121.223 -0.212 0.000 2.079 967 L HA -0.213 4.133 4.340 0.011 0.000 0.210 967 L C 2.692 179.434 176.870 -0.215 0.000 1.081 967 L CA 1.313 56.026 54.840 -0.211 0.000 0.752 967 L CB -0.357 41.614 42.059 -0.148 0.000 0.896 967 L HN 0.423 nan 8.230 nan 0.000 0.433 968 M N -0.497 119.002 119.600 -0.169 0.000 2.319 968 M HA -0.165 4.321 4.480 0.011 0.000 0.265 968 M C 1.719 177.933 176.300 -0.144 0.000 1.068 968 M CA 1.649 56.861 55.300 -0.146 0.000 1.118 968 M CB 0.119 32.653 32.600 -0.110 0.000 1.395 968 M HN 0.195 nan 8.290 nan 0.000 0.435 969 E N -0.731 119.389 120.200 -0.134 0.000 2.400 969 E HA 0.049 4.406 4.350 0.011 0.000 0.195 969 E C -0.114 176.426 176.600 -0.099 0.000 1.012 969 E CA 0.252 56.594 56.400 -0.097 0.000 0.875 969 E CB 0.360 30.017 29.700 -0.071 0.000 0.859 969 E HN 0.347 nan 8.360 nan 0.000 0.498 970 T N 0.988 115.453 114.554 -0.149 0.000 2.771 970 T HA 0.073 4.429 4.350 0.011 0.000 0.291 970 T C 1.260 175.858 174.700 -0.170 0.000 0.954 970 T CA -0.251 61.762 62.100 -0.146 0.000 1.045 970 T CB 1.578 70.336 68.868 -0.185 0.000 0.917 970 T HN 0.075 nan 8.240 nan 0.000 0.484 971 S N 2.405 118.084 115.700 -0.035 0.000 2.414 971 S HA -0.009 4.468 4.470 0.011 0.000 0.227 971 S C 0.379 175.000 174.600 0.036 0.000 1.022 971 S CA 0.481 58.724 58.200 0.071 0.000 0.958 971 S CB -0.287 63.085 63.200 0.286 0.000 0.797 971 S HN 0.755 nan 8.310 nan 0.000 0.493 972 H N 0.495 119.546 119.070 -0.032 0.000 2.622 972 H HA 0.564 5.127 4.556 0.011 0.000 0.363 972 H C 1.077 176.368 175.328 -0.062 0.000 1.151 972 H CA -0.738 55.338 56.048 0.047 0.000 1.184 972 H CB 1.431 31.237 29.762 0.073 0.000 1.643 972 H HN 0.187 nan 8.280 nan 0.000 0.531 973 R N 1.326 121.924 120.500 0.164 0.000 2.152 973 R HA -0.137 4.209 4.340 0.011 0.000 0.232 973 R C 1.074 177.387 176.300 0.022 0.000 1.117 973 R CA 1.676 57.808 56.100 0.054 0.000 0.981 973 R CB -0.371 29.997 30.300 0.115 0.000 0.870 973 R HN 0.764 nan 8.270 nan 0.000 0.451 974 H N 0.792 119.856 119.070 -0.010 0.000 2.555 974 H HA 0.080 4.643 4.556 0.011 0.000 0.269 974 H C 1.402 176.648 175.328 -0.137 0.000 0.988 974 H CA 0.497 56.504 56.048 -0.069 0.000 1.178 974 H CB -0.047 29.667 29.762 -0.079 0.000 1.373 974 H HN 0.291 nan 8.280 nan 0.000 0.588 975 L N 0.921 121.767 121.223 -0.629 0.000 2.592 975 L HA 0.210 4.557 4.340 0.011 0.000 0.227 975 L C 0.605 177.339 176.870 -0.226 0.000 1.127 975 L CA -0.099 54.438 54.840 -0.505 0.000 0.884 975 L CB 0.151 41.903 42.059 -0.510 0.000 1.065 975 L HN 0.078 nan 8.230 nan 0.000 0.457 976 L N 0.940 122.026 121.223 -0.229 0.000 2.397 976 L HA 0.166 4.512 4.340 0.011 0.000 0.271 976 L C 0.057 176.891 176.870 -0.061 0.000 1.148 976 L CA -0.177 54.502 54.840 -0.268 0.000 0.825 976 L CB 0.494 42.180 42.059 -0.621 0.000 1.117 976 L HN 0.188 nan 8.230 nan 0.000 0.456 977 H N 1.828 120.908 119.070 0.015 0.000 2.589 977 H HA 0.570 5.133 4.556 0.011 0.000 0.351 977 H C -0.776 174.683 175.328 0.219 0.000 1.074 977 H CA -1.214 54.892 56.048 0.097 0.000 1.203 977 H CB 1.295 31.070 29.762 0.021 0.000 1.558 977 H HN 0.663 nan 8.280 nan 0.000 0.522 978 A N 3.684 126.613 122.820 0.182 0.000 2.520 978 A HA 0.104 4.431 4.320 0.011 0.000 0.245 978 A C 0.380 177.987 177.584 0.038 0.000 1.072 978 A CA -0.150 51.856 52.037 -0.052 0.000 0.761 978 A CB -0.036 18.904 19.000 -0.100 0.000 1.004 978 A HN 0.847 nan 8.150 nan 0.000 0.499 979 E N 0.864 121.058 120.200 -0.009 0.000 2.322 979 E HA 0.217 4.574 4.350 0.011 0.000 0.257 979 E C -0.024 176.602 176.600 0.043 0.000 1.155 979 E CA -0.671 55.794 56.400 0.108 0.000 0.936 979 E CB 0.755 30.592 29.700 0.227 0.000 1.130 979 E HN 0.799 nan 8.360 nan 0.000 0.465 980 E N 0.222 120.448 120.200 0.043 0.000 2.392 980 E HA 0.209 4.566 4.350 0.011 0.000 0.264 980 E C 0.333 176.883 176.600 -0.085 0.000 1.024 980 E CA 0.542 56.931 56.400 -0.018 0.000 0.903 980 E CB 0.413 30.102 29.700 -0.019 0.000 0.963 980 E HN 0.667 nan 8.360 nan 0.000 0.432 981 G N 2.861 111.613 108.800 -0.080 0.000 2.601 981 G HA2 -0.239 3.727 3.960 0.011 0.000 0.252 981 G HA3 -0.239 3.727 3.960 0.011 0.000 0.252 981 G C -0.616 174.218 174.900 -0.111 0.000 1.294 981 G CA -0.076 44.963 45.100 -0.102 0.000 0.912 981 G HN 0.626 nan 8.290 nan 0.000 0.574 982 T N 0.165 114.641 114.554 -0.130 0.000 2.841 982 T HA 0.493 4.849 4.350 0.011 0.000 0.285 982 T C -0.685 173.874 174.700 -0.235 0.000 0.991 982 T CA -0.170 61.859 62.100 -0.118 0.000 0.966 982 T CB 1.356 70.231 68.868 0.012 0.000 0.962 982 T HN 0.560 nan 8.240 nan 0.000 0.438 983 W N 3.226 124.431 121.300 -0.158 0.000 2.311 983 W HA 0.552 5.218 4.660 0.011 0.000 0.310 983 W C -0.192 176.196 176.519 -0.217 0.000 1.274 983 W CA -0.633 56.617 57.345 -0.159 0.000 1.215 983 W CB 0.606 29.981 29.460 -0.142 0.000 1.227 983 W HN 0.374 nan 8.180 nan 0.000 0.523 984 L N 5.801 127.013 121.223 -0.019 0.000 2.333 984 L HA 0.500 4.846 4.340 0.011 0.000 0.280 984 L C -0.941 175.832 176.870 -0.162 0.000 1.004 984 L CA -0.485 54.232 54.840 -0.204 0.000 0.820 984 L CB 0.849 42.650 42.059 -0.430 0.000 1.247 984 L HN 0.311 nan 8.230 nan 0.000 0.416 985 N N 6.854 125.441 118.700 -0.187 0.000 2.483 985 N HA 0.461 5.208 4.740 0.011 0.000 0.267 985 N C -1.211 174.152 175.510 -0.244 0.000 0.998 985 N CA -0.168 52.772 53.050 -0.184 0.000 0.918 985 N CB 2.070 40.477 38.487 -0.134 0.000 1.215 985 N HN 0.562 nan 8.380 nan 0.000 0.500 986 I N 1.965 122.343 120.570 -0.321 0.000 2.382 986 I HA 0.232 4.408 4.170 0.011 0.000 0.285 986 I C -0.588 175.336 176.117 -0.322 0.000 1.007 986 I CA -0.659 60.409 61.300 -0.386 0.000 1.142 986 I CB 1.312 38.901 38.000 -0.685 0.000 1.289 986 I HN 0.147 nan 8.210 nan 0.000 0.453 987 D N 4.737 124.985 120.400 -0.253 0.000 2.192 987 D HA 0.262 4.909 4.640 0.011 0.000 0.246 987 D C 0.916 176.938 176.300 -0.465 0.000 1.042 987 D CA -0.320 53.478 54.000 -0.338 0.000 0.847 987 D CB 2.500 43.197 40.800 -0.172 0.000 1.186 987 D HN 0.670 nan 8.370 nan 0.000 0.461 988 G N 0.820 109.074 108.800 -0.910 0.000 2.453 988 G HA2 0.038 4.004 3.960 0.011 0.000 0.215 988 G HA3 0.038 4.004 3.960 0.011 0.000 0.215 988 G C 0.060 174.285 174.900 -1.125 0.000 1.147 988 G CA 0.446 44.886 45.100 -1.100 0.000 0.802 988 G HN 0.355 nan 8.290 nan 0.000 0.535 989 F N -2.023 117.728 119.950 -0.331 0.000 2.601 989 F HA 0.619 5.153 4.527 0.011 0.000 0.309 989 F C -0.585 175.116 175.800 -0.166 0.000 1.089 989 F CA -1.223 56.661 58.000 -0.194 0.000 0.940 989 F CB 2.120 40.944 39.000 -0.293 0.000 1.273 989 F HN 0.018 nan 8.300 nan 0.000 0.450 990 H N 1.635 120.709 119.070 0.007 0.000 2.954 990 H HA 0.512 5.075 4.556 0.011 0.000 0.361 990 H C -0.914 174.436 175.328 0.037 0.000 1.122 990 H CA -0.833 55.193 56.048 -0.035 0.000 1.217 990 H CB 1.841 31.564 29.762 -0.065 0.000 1.776 990 H HN 0.779 nan 8.280 nan 0.000 0.533 991 M N 3.472 122.995 119.600 -0.128 0.000 2.240 991 M HA 0.312 4.798 4.480 0.011 0.000 0.333 991 M C 0.450 176.837 176.300 0.145 0.000 1.110 991 M CA 0.234 55.533 55.300 -0.003 0.000 1.173 991 M CB 0.397 32.904 32.600 -0.155 0.000 1.458 991 M HN 0.838 nan 8.290 nan 0.000 0.458 992 G N 2.956 111.833 108.800 0.128 0.000 2.664 992 G HA2 0.259 4.226 3.960 0.011 0.000 0.242 992 G HA3 0.259 4.226 3.960 0.011 0.000 0.242 992 G C 0.617 175.501 174.900 -0.026 0.000 1.225 992 G CA -0.377 44.742 45.100 0.031 0.000 0.849 992 G HN 0.981 nan 8.290 nan 0.000 0.581 993 I N -1.205 119.308 120.570 -0.095 0.000 3.645 993 I HA 0.394 4.570 4.170 0.011 0.000 0.300 993 I C 1.236 177.292 176.117 -0.100 0.000 1.260 993 I CA 0.433 61.643 61.300 -0.151 0.000 1.365 993 I CB -0.619 37.191 38.000 -0.316 0.000 1.077 993 I HN 0.925 nan 8.210 nan 0.000 0.439 994 G N 1.497 110.257 108.800 -0.066 0.000 2.697 994 G HA2 0.020 3.986 3.960 0.011 0.000 0.240 994 G HA3 0.020 3.986 3.960 0.011 0.000 0.240 994 G C 0.526 175.425 174.900 -0.001 0.000 1.346 994 G CA 0.120 45.216 45.100 -0.007 0.000 0.887 994 G HN 1.328 nan 8.290 nan 0.000 0.569 995 G N -2.458 106.354 108.800 0.020 0.000 2.870 995 G HA2 0.055 4.021 3.960 0.011 0.000 0.216 995 G HA3 0.055 4.021 3.960 0.011 0.000 0.216 995 G C 0.623 175.570 174.900 0.078 0.000 0.973 995 G CA 0.986 46.108 45.100 0.036 0.000 0.807 995 G HN 0.900 nan 8.290 nan 0.000 0.573 996 D N 1.267 121.729 120.400 0.103 0.000 2.190 996 D HA 0.097 4.744 4.640 0.011 0.000 0.200 996 D C 0.915 177.220 176.300 0.010 0.000 0.992 996 D CA 2.145 56.263 54.000 0.197 0.000 0.854 996 D CB 0.145 41.067 40.800 0.204 0.000 0.936 996 D HN 0.791 nan 8.370 nan 0.000 0.462 997 D N -3.497 116.680 120.400 -0.370 0.000 2.653 997 D HA 0.258 4.904 4.640 0.011 0.000 0.258 997 D C -0.879 174.764 176.300 -1.095 0.000 1.252 997 D CA -0.718 52.572 54.000 -1.184 0.000 0.777 997 D CB 0.827 40.570 40.800 -1.761 0.000 1.339 997 D HN -0.314 nan 8.370 nan 0.000 0.422 998 S N -0.020 114.806 115.700 -1.457 0.000 2.562 998 S HA 0.252 4.728 4.470 0.011 0.000 0.246 998 S C -0.465 174.001 174.600 -0.222 0.000 1.056 998 S CA -0.639 57.225 58.200 -0.561 0.000 1.042 998 S CB -0.520 62.525 63.200 -0.258 0.000 0.822 998 S HN 0.603 nan 8.310 nan 0.000 0.465 999 W N 0.731 121.858 121.300 -0.289 0.000 2.324 999 W HA 0.496 5.162 4.660 0.010 0.000 0.316 999 W C 0.126 176.550 176.519 -0.159 0.000 0.927 999 W CA -0.426 56.769 57.345 -0.250 0.000 1.438 999 W CB -0.355 28.911 29.460 -0.323 0.000 1.085 999 W HN 0.207 nan 8.180 nan 0.000 0.532 1000 S N -1.027 114.535 115.700 -0.229 0.000 2.550 1000 S HA 0.572 5.048 4.470 0.011 0.000 0.270 1000 S C -3.109 171.410 174.600 -0.135 0.000 1.145 1000 S CA -1.675 56.441 58.200 -0.139 0.000 0.852 1000 S CB 1.597 64.746 63.200 -0.086 0.000 1.119 1000 S HN -0.246 nan 8.310 nan 0.000 0.465 1001 P HA 0.111 nan 4.420 nan 0.000 0.258 1001 P C 0.438 177.777 177.300 0.065 0.000 1.172 1001 P CA 0.213 63.320 63.100 0.011 0.000 0.762 1001 P CB 0.440 32.020 31.700 -0.201 0.000 0.764 1002 S N 0.826 116.601 115.700 0.125 0.000 2.666 1002 S HA 0.118 4.594 4.470 0.011 0.000 0.239 1002 S C 0.296 174.978 174.600 0.136 0.000 1.031 1002 S CA -0.299 57.947 58.200 0.076 0.000 1.015 1002 S CB -0.213 62.977 63.200 -0.017 0.000 0.981 1002 S HN 0.118 nan 8.310 nan 0.000 0.547 1003 V N 3.132 123.172 119.914 0.210 0.000 2.446 1003 V HA 0.299 4.425 4.120 0.011 0.000 0.276 1003 V C 0.870 177.112 176.094 0.247 0.000 1.030 1003 V CA -0.171 62.239 62.300 0.183 0.000 1.033 1003 V CB 0.666 32.541 31.823 0.088 0.000 0.993 1003 V HN 0.523 nan 8.190 nan 0.000 0.477 1004 S N 4.212 120.067 115.700 0.257 0.000 2.568 1004 S HA 0.273 4.749 4.470 0.011 0.000 0.282 1004 S C 1.560 176.308 174.600 0.246 0.000 1.338 1004 S CA 0.064 58.414 58.200 0.251 0.000 1.045 1004 S CB 1.080 64.454 63.200 0.290 0.000 0.873 1004 S HN 0.992 nan 8.310 nan 0.000 0.516 1005 A N 3.552 126.473 122.820 0.169 0.000 1.917 1005 A HA -0.158 4.168 4.320 0.011 0.000 0.219 1005 A C 2.007 179.626 177.584 0.060 0.000 1.182 1005 A CA 1.895 54.014 52.037 0.137 0.000 0.633 1005 A CB -0.728 18.330 19.000 0.097 0.000 0.819 1005 A HN 0.970 nan 8.150 nan 0.000 0.448 1006 E N -1.178 118.996 120.200 -0.043 0.000 2.472 1006 E HA -0.134 4.222 4.350 0.011 0.000 0.200 1006 E C 0.523 176.893 176.600 -0.384 0.000 1.046 1006 E CA 0.792 57.046 56.400 -0.243 0.000 0.871 1006 E CB -0.363 29.098 29.700 -0.398 0.000 0.806 1006 E HN 0.628 nan 8.360 nan 0.000 0.533 1007 F N 1.041 121.041 119.950 0.083 0.000 2.661 1007 F HA 0.309 4.842 4.527 0.010 0.000 0.306 1007 F C 0.715 176.550 175.800 0.058 0.000 1.094 1007 F CA -0.387 57.662 58.000 0.082 0.000 1.254 1007 F CB 0.512 39.562 39.000 0.083 0.000 1.040 1007 F HN -0.168 nan 8.300 nan 0.000 0.562 1008 Q N 0.976 120.881 119.800 0.174 0.000 2.230 1008 Q HA 0.431 4.778 4.340 0.011 0.000 0.253 1008 Q C -0.214 175.809 176.000 0.039 0.000 0.919 1008 Q CA -0.498 55.377 55.803 0.120 0.000 0.908 1008 Q CB 1.832 30.713 28.738 0.239 0.000 1.245 1008 Q HN 0.200 nan 8.270 nan 0.000 0.437 1009 L N 2.571 123.801 121.223 0.013 0.000 2.384 1009 L HA 0.105 4.451 4.340 0.011 0.000 0.258 1009 L C 0.581 177.425 176.870 -0.043 0.000 1.266 1009 L CA -0.031 54.808 54.840 -0.003 0.000 1.162 1009 L CB -0.386 41.550 42.059 -0.205 0.000 1.375 1009 L HN 0.669 nan 8.230 nan 0.000 0.420 1010 S N -1.080 114.507 115.700 -0.187 0.000 2.593 1010 S HA 0.176 4.653 4.470 0.011 0.000 0.236 1010 S C 1.562 176.098 174.600 -0.107 0.000 0.991 1010 S CA 0.135 58.078 58.200 -0.429 0.000 0.963 1010 S CB 0.803 63.553 63.200 -0.750 0.000 0.865 1010 S HN 0.514 nan 8.310 nan 0.000 0.488 1011 A N 1.459 124.241 122.820 -0.062 0.000 2.121 1011 A HA 0.445 4.771 4.320 0.011 0.000 0.218 1011 A C 2.121 179.554 177.584 -0.252 0.000 1.154 1011 A CA 1.178 53.042 52.037 -0.288 0.000 0.679 1011 A CB -1.277 17.303 19.000 -0.700 0.000 0.795 1011 A HN 1.494 nan 8.150 nan 0.000 0.458 1012 G N -1.282 107.472 108.800 -0.077 0.000 2.550 1012 G HA2 -0.311 3.656 3.960 0.011 0.000 0.233 1012 G HA3 -0.311 3.656 3.960 0.011 0.000 0.233 1012 G C 0.465 175.357 174.900 -0.014 0.000 1.170 1012 G CA 0.529 45.636 45.100 0.011 0.000 0.693 1012 G HN 0.697 nan 8.290 nan 0.000 0.512 1013 R N -0.549 119.816 120.500 -0.226 0.000 2.575 1013 R HA 0.662 5.008 4.340 0.011 0.000 0.293 1013 R C -1.563 174.480 176.300 -0.428 0.000 0.983 1013 R CA -0.605 55.405 56.100 -0.150 0.000 0.887 1013 R CB 1.525 31.779 30.300 -0.076 0.000 1.184 1013 R HN 0.232 nan 8.270 nan 0.000 0.445 1014 Y N 0.431 120.722 120.300 -0.015 0.000 2.462 1014 Y HA 0.366 4.922 4.550 0.011 0.000 0.346 1014 Y C -0.305 175.740 175.900 0.243 0.000 0.976 1014 Y CA -0.811 57.248 58.100 -0.068 0.000 1.044 1014 Y CB 2.116 40.382 38.460 -0.324 0.000 1.230 1014 Y HN 0.574 nan 8.280 nan 0.000 0.455 1015 H N 2.590 121.928 119.070 0.447 0.000 2.679 1015 H HA 0.619 5.181 4.556 0.011 0.000 0.360 1015 H C -1.781 173.937 175.328 0.650 0.000 1.105 1015 H CA -0.949 55.356 56.048 0.429 0.000 1.196 1015 H CB 1.229 31.134 29.762 0.239 0.000 1.636 1015 H HN 0.545 nan 8.280 nan 0.000 0.531 1016 Y N 1.358 121.395 120.300 -0.439 0.000 2.624 1016 Y HA 0.439 4.996 4.550 0.011 0.000 0.334 1016 Y C -2.096 173.588 175.900 -0.361 0.000 1.155 1016 Y CA -1.131 56.802 58.100 -0.280 0.000 1.046 1016 Y CB 1.201 39.630 38.460 -0.050 0.000 1.316 1016 Y HN 0.748 nan 8.280 nan 0.000 0.457 1017 Q N 3.065 122.843 119.800 -0.036 0.000 2.345 1017 Q HA 0.822 5.169 4.340 0.011 0.000 0.275 1017 Q C -2.027 174.052 176.000 0.132 0.000 1.063 1017 Q CA -1.057 54.729 55.803 -0.029 0.000 0.819 1017 Q CB 3.282 32.040 28.738 0.033 0.000 1.356 1017 Q HN 0.822 nan 8.270 nan 0.000 0.418 1018 L N 1.055 122.343 121.223 0.108 0.000 2.371 1018 L HA 0.770 5.117 4.340 0.011 0.000 0.262 1018 L C -0.919 176.066 176.870 0.192 0.000 1.006 1018 L CA -1.352 53.592 54.840 0.173 0.000 0.818 1018 L CB 2.567 44.700 42.059 0.123 0.000 1.354 1018 L HN 0.444 nan 8.230 nan 0.000 0.415 1019 V N 0.750 120.804 119.914 0.233 0.000 2.444 1019 V HA 0.383 4.509 4.120 0.011 0.000 0.294 1019 V C -1.285 174.986 176.094 0.294 0.000 1.022 1019 V CA -0.400 62.043 62.300 0.239 0.000 0.850 1019 V CB 2.167 34.102 31.823 0.188 0.000 0.992 1019 V HN 0.605 nan 8.190 nan 0.000 0.426 1020 W N 7.088 128.460 121.300 0.120 0.000 2.376 1020 W HA 0.697 5.363 4.660 0.011 0.000 0.312 1020 W C -0.243 176.298 176.519 0.036 0.000 1.060 1020 W CA -1.069 56.288 57.345 0.021 0.000 1.221 1020 W CB 1.413 30.944 29.460 0.118 0.000 1.281 1020 W HN 0.842 nan 8.180 nan 0.000 0.456 1021 C N 3.394 122.929 119.300 0.391 0.000 3.285 1021 C HA 0.676 5.143 4.460 0.011 0.000 0.320 1021 C C -0.379 174.727 174.990 0.194 0.000 1.411 1021 C CA -0.978 58.206 59.018 0.276 0.000 1.429 1021 C CB 1.582 29.422 27.740 0.167 0.000 1.812 1021 C HN 0.684 nan 8.230 nan 0.000 0.454 1022 Q N 1.576 121.447 119.800 0.119 0.000 2.274 1022 Q HA 0.397 4.744 4.340 0.011 0.000 0.256 1022 Q C -0.064 175.929 176.000 -0.012 0.000 0.927 1022 Q CA -0.168 55.651 55.803 0.026 0.000 0.939 1022 Q CB 0.955 29.690 28.738 -0.004 0.000 1.201 1022 Q HN 0.778 nan 8.270 nan 0.000 0.426 1023 K N 0.000 120.366 120.400 -0.057 0.000 2.780 1023 K HA 0.000 4.326 4.320 0.011 0.000 0.191 1023 K CA 0.000 56.259 56.287 -0.047 0.000 0.838 1023 K CB 0.000 32.464 32.500 -0.060 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543